NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617007 |
5b88   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5b88
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 1113
_Distance_constraint_stats_list.Viol_count 5665
_Distance_constraint_stats_list.Viol_total 103146.016
_Distance_constraint_stats_list.Viol_max 6.525
_Distance_constraint_stats_list.Viol_rms 0.7098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2317
_Distance_constraint_stats_list.Viol_average_violations_only 0.9104
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 3.178 0.256 3 0 "[ . 1 . 2]"
1 3 ASP 13.289 0.681 1 8 "[+ ***- *1 . **2]"
1 4 VAL 420.796 6.346 11 20 [*******-**+*********]
1 5 GLY 20.338 0.681 1 8 "[+ ***- *1 . **2]"
1 6 ASP 121.802 2.028 1 20 [+*-*****************]
1 7 MET 164.802 4.448 1 20 [+***********-*******]
1 8 GLN 550.391 6.525 11 20 [**********+********-]
1 9 LEU 296.666 4.948 1 20 [+****************-**]
1 10 TYR 80.779 0.711 13 20 [****-*******+*******]
1 11 ARG 140.150 2.379 5 20 [****+************-**]
1 12 ILE 312.596 2.440 18 20 [*********-*******+**]
1 13 GLU 118.050 2.240 8 20 [*******+-***********]
1 14 VAL 24.257 0.784 10 19 "[*********+*** ******]"
1 15 GLY 0.569 0.326 14 0 "[ . 1 . 2]"
1 16 ARG 5.594 0.332 10 0 "[ . 1 . 2]"
1 17 ASP 8.026 0.368 20 0 "[ . 1 . 2]"
1 18 ASP 9.109 0.649 14 2 "[ . 1 +. -2]"
1 19 GLY 0.095 0.007 10 0 "[ . 1 . 2]"
1 20 VAL 41.709 1.498 14 20 [*************+**-***]
1 21 GLU 41.233 0.576 2 20 [*+***********-******]
1 22 VAL 68.050 1.680 17 20 [************-***+***]
1 23 ARG 48.151 0.787 14 20 [*************+******]
1 24 HIS 48.276 1.413 17 20 [-***************+***]
1 25 ILE 385.079 5.015 18 20 [*************-***+**]
1 26 VAL 44.834 1.163 6 20 [*****+**********-***]
1 27 GLY 10.484 0.494 13 0 "[ . 1 . 2]"
1 28 ALA 128.986 4.235 18 20 [*************-***+**]
1 29 ILE 139.086 5.013 3 20 [**+**************-**]
1 30 ALA 0.095 0.021 19 0 "[ . 1 . 2]"
1 31 ASN 1.178 0.589 18 2 "[ . 1 .- + 2]"
1 32 GLU 0.316 0.292 13 0 "[ . 1 . 2]"
1 33 GLY 9.887 0.619 1 12 "[+* ** ** **- ** * 2]"
1 34 ASP 16.636 0.619 1 12 "[+* ** ** **- ** * 2]"
1 35 ILE 80.386 1.499 9 20 [********+********-**]
1 36 SER 32.781 0.790 20 20 [************-******+]
1 37 SER 4.946 0.324 7 0 "[ . 1 . 2]"
1 38 ARG 10.508 0.366 12 0 "[ . 1 . 2]"
1 39 TYR 5.882 0.233 18 0 "[ . 1 . 2]"
1 40 ILE 41.228 1.251 18 19 [****.-***********+**]
1 41 GLY 10.006 0.457 18 0 "[ . 1 . 2]"
1 42 ASN 24.258 0.451 4 0 "[ . 1 . 2]"
1 43 ILE 131.421 3.119 17 20 [************-***+***]
1 44 LYS 45.406 1.635 1 20 [+*************-*****]
1 45 LEU 28.871 1.635 1 15 "[+* ** ** * ***-*** *]"
1 46 PHE 15.771 0.379 18 0 "[ . 1 . 2]"
1 47 ALA 8.725 0.297 2 0 "[ . 1 . 2]"
1 48 SER 17.067 0.649 14 2 "[ . 1 +. -2]"
1 49 HIS 31.136 1.216 7 20 [******+*************]
1 50 SER 41.746 1.169 3 20 [**+*****************]
1 51 THR 38.854 0.688 13 20 [**-*********+*******]
1 52 ILE 183.895 3.181 17 20 [**********-*****+***]
1 53 GLU 107.821 4.259 11 20 [**********+******-**]
1 54 LEU 246.415 4.062 11 20 [*****-****+*********]
1 55 PRO 396.312 6.346 11 20 [**********+*-*******]
1 56 LYS 753.630 6.525 11 20 [****-*****+*********]
1 57 GLY 102.476 2.528 11 20 [-*********+*********]
1 58 MET 119.095 1.799 9 20 [**-*****+***********]
1 59 PRO 296.120 4.446 17 20 [**-*************+***]
1 60 GLY 13.335 0.433 1 0 "[ . 1 . 2]"
1 61 GLU 85.500 3.060 14 20 [*************+*-****]
1 62 VAL 310.305 6.004 5 20 [****+**********-****]
1 63 LEU 269.216 4.139 12 20 [***********+****-***]
1 64 GLN 82.862 1.494 2 20 [*+******-***********]
1 65 HIS 1.894 0.149 19 0 "[ . 1 . 2]"
1 66 PHE 76.936 1.377 14 20 [*******-*****+******]
1 67 THR 203.286 4.139 12 20 [********-**+********]
1 68 ARG 3.297 0.192 3 0 "[ . 1 . 2]"
1 69 THR 95.581 5.013 3 20 [**+**********-******]
1 70 ARG 416.729 5.619 15 20 [**************+**-**]
1 71 ILE 285.874 5.015 18 20 [**************-**+**]
1 72 LEU 40.400 0.551 3 20 [**+************-****]
1 73 ASN 289.427 5.619 15 20 [**************+*****]
1 74 LYS 47.948 1.219 9 20 [********+******-****]
1 75 PRO 122.248 3.198 16 20 [**************-+****]
1 76 MET 210.885 2.440 18 20 [*************-***+**]
1 77 ASN 114.847 2.240 8 20 [*******+***********-]
1 78 MET 172.920 2.379 5 20 [****+*************-*]
1 79 GLN 68.936 2.810 12 20 [*-*********+********]
1 80 LEU 203.184 3.181 17 20 [**********-*****+***]
1 81 LEU 97.088 2.810 12 20 [****-******+********]
1 82 GLY 93.043 2.719 18 20 [****-************+**]
1 83 ASP 73.245 1.647 9 20 [********+********-**]
1 84 ALA 645.166 4.948 1 20 [+**-****************]
1 85 GLN 16.357 0.676 18 12 "[** * - ** * *.* +**]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 3 ASP H . . 2.820 2.649 2.575 2.718 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 3 ASP HA . . 4.930 4.354 4.316 4.380 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 3 ASP H . . 3.030 2.074 1.921 2.201 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 3 ASP HA . . 3.910 4.069 4.021 4.166 0.256 3 0 "[ . 1 . 2]" 1
5 1 2 ALA MB 1 4 VAL H . . 4.070 2.462 2.179 2.705 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP H 1 3 ASP QB . . 2.730 2.251 2.094 2.352 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASP H 1 4 VAL H . . 2.850 2.281 2.099 2.607 . 0 0 "[ . 1 . 2]" 1
8 1 3 ASP H 1 4 VAL QG . . 4.100 3.631 3.437 4.165 0.065 1 0 "[ . 1 . 2]" 1
9 1 3 ASP HA 1 4 VAL HA . . 4.910 4.530 4.517 4.543 . 0 0 "[ . 1 . 2]" 1
10 1 3 ASP HA 1 5 GLY H . . 4.810 5.309 5.259 5.491 0.681 1 8 "[+ ***- *1 . **2]" 1
11 1 3 ASP QB 1 4 VAL H . . 3.150 2.753 2.612 2.945 . 0 0 "[ . 1 . 2]" 1
12 1 3 ASP QB 1 4 VAL HB . . 4.140 3.629 3.543 4.204 0.064 1 0 "[ . 1 . 2]" 1
13 1 3 ASP QB 1 4 VAL QG . . 4.120 2.919 2.341 3.043 . 0 0 "[ . 1 . 2]" 1
14 1 3 ASP HB2 1 4 VAL H . . 3.910 3.558 3.383 3.753 . 0 0 "[ . 1 . 2]" 1
15 1 3 ASP HB3 1 4 VAL H . . 3.910 2.868 2.670 3.078 . 0 0 "[ . 1 . 2]" 1
16 1 4 VAL H 1 4 VAL HB . . 2.740 3.269 2.712 3.441 0.701 5 19 "[ ***+**-************]" 1
17 1 4 VAL H 1 4 VAL QG . . 2.470 2.109 2.026 2.523 0.053 1 0 "[ . 1 . 2]" 1
18 1 4 VAL H 1 5 GLY H . . 2.820 1.909 1.894 2.152 . 0 0 "[ . 1 . 2]" 1
19 1 4 VAL H 1 6 ASP H . . 3.870 3.531 3.470 3.792 . 0 0 "[ . 1 . 2]" 1
20 1 4 VAL H 1 55 PRO QB . . 4.170 7.334 7.032 7.760 3.590 11 20 [****-*****+*********] 1
21 1 4 VAL HA 1 4 VAL QG . . 3.180 2.285 2.104 2.342 . 0 0 "[ . 1 . 2]" 1
22 1 4 VAL HA 1 5 GLY HA2 . . 5.150 5.071 5.050 5.123 . 0 0 "[ . 1 . 2]" 1
23 1 4 VAL HA 1 5 GLY QA . . 4.500 4.234 4.231 4.250 . 0 0 "[ . 1 . 2]" 1
24 1 4 VAL HA 1 5 GLY HA3 . . 5.150 4.537 4.532 4.543 . 0 0 "[ . 1 . 2]" 1
25 1 4 VAL HB 1 55 PRO QB . . 4.120 9.956 8.464 10.466 6.346 11 20 [-*********+*********] 1
26 1 4 VAL QG 1 5 GLY H . . 3.020 2.087 1.997 3.117 0.097 1 0 "[ . 1 . 2]" 1
27 1 4 VAL QG 1 6 ASP H . . 3.760 2.265 2.069 3.370 . 0 0 "[ . 1 . 2]" 1
28 1 4 VAL QG 1 6 ASP HA . . 4.560 3.400 3.297 4.175 . 0 0 "[ . 1 . 2]" 1
29 1 4 VAL QG 1 6 ASP QB . . 4.340 2.714 2.532 3.713 . 0 0 "[ . 1 . 2]" 1
30 1 4 VAL QG 1 55 PRO QB . . 4.260 6.801 6.592 7.465 3.205 1 20 [+***************-***] 1
31 1 4 VAL QG 1 56 LYS QG . . 4.150 7.052 6.892 7.461 3.311 1 20 [+*-*****************] 1
32 1 4 VAL QG 1 57 GLY H . . 4.220 4.514 4.336 4.848 0.628 1 1 "[+ . 1 . 2]" 1
33 1 4 VAL QG 1 58 MET H . . 4.070 4.224 3.945 4.556 0.486 1 0 "[ . 1 . 2]" 1
34 1 4 VAL QG 1 58 MET HA . . 4.580 3.936 3.576 4.167 . 0 0 "[ . 1 . 2]" 1
35 1 4 VAL QG 1 59 PRO QD . . 3.950 3.795 3.360 4.023 0.073 1 0 "[ . 1 . 2]" 1
36 1 4 VAL QG 1 62 VAL QG . . 3.730 9.320 8.820 9.734 6.004 5 20 [****+******-********] 1
37 1 5 GLY H 1 6 ASP HA . . 5.050 4.455 4.422 4.512 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLY H 1 58 MET H . . 5.210 5.344 5.134 5.473 0.263 5 0 "[ . 1 . 2]" 1
39 1 5 GLY H 1 59 PRO QD . . 5.260 5.635 5.450 5.745 0.485 5 0 "[ . 1 . 2]" 1
40 1 6 ASP H 1 6 ASP QB . . 3.130 2.122 2.096 2.210 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASP H 1 56 LYS QG . . 5.070 6.969 6.815 7.098 2.028 1 20 [+*******-***********] 1
42 1 6 ASP H 1 57 GLY H . . 4.420 4.538 4.485 4.628 0.208 11 0 "[ . 1 . 2]" 1
43 1 6 ASP H 1 58 MET H . . 4.110 4.634 4.541 4.679 0.569 7 17 "[**-***+**** ***** *]" 1
44 1 6 ASP H 1 59 PRO QD . . 5.400 4.595 4.461 4.626 . 0 0 "[ . 1 . 2]" 1
45 1 6 ASP HA 1 7 MET H . . 2.700 2.202 2.171 2.390 . 0 0 "[ . 1 . 2]" 1
46 1 6 ASP HA 1 7 MET QB . . 4.300 4.218 4.158 4.427 0.127 18 0 "[ . 1 . 2]" 1
47 1 6 ASP QB 1 56 LYS H . . 4.080 5.051 4.993 5.135 1.055 12 20 [-**********+********] 1
48 1 6 ASP QB 1 56 LYS QB . . 4.010 3.708 3.678 3.734 . 0 0 "[ . 1 . 2]" 1
49 1 6 ASP QB 1 56 LYS QD . . 4.790 6.162 6.051 6.245 1.455 11 20 [**********+*-*******] 1
50 1 6 ASP QB 1 58 MET HA . . 4.310 4.309 4.198 4.385 0.075 1 0 "[ . 1 . 2]" 1
51 1 6 ASP QB 1 58 MET QB . . 3.900 5.080 5.005 5.134 1.234 1 20 [+****************-**] 1
52 1 7 MET H 1 7 MET HB2 . . 3.610 2.876 2.559 3.267 . 0 0 "[ . 1 . 2]" 1
53 1 7 MET H 1 7 MET QB . . 2.850 2.510 2.448 2.567 . 0 0 "[ . 1 . 2]" 1
54 1 7 MET H 1 7 MET HB3 . . 3.610 2.880 2.536 3.210 . 0 0 "[ . 1 . 2]" 1
55 1 7 MET H 1 8 GLN H . . 4.570 4.246 4.218 4.298 . 0 0 "[ . 1 . 2]" 1
56 1 7 MET H 1 56 LYS QG . . 4.030 8.313 7.994 8.478 4.448 1 20 [+****************-**] 1
57 1 7 MET HA 1 8 GLN H . . 2.550 2.142 2.141 2.143 . 0 0 "[ . 1 . 2]" 1
58 1 7 MET HA 1 8 GLN QB . . 4.630 4.489 4.382 4.566 . 0 0 "[ . 1 . 2]" 1
59 1 7 MET HA 1 55 PRO HA . . 3.470 3.940 3.322 3.991 0.521 3 11 "[ *+ ** * * -*. * **]" 1
60 1 7 MET HA 1 56 LYS H . . 2.740 5.438 4.886 5.570 2.830 13 20 [************+****-**] 1
61 1 7 MET QB 1 8 GLN H . . 3.260 3.762 3.640 3.833 0.573 19 11 "[ **.** 1*** * *+-]" 1
62 1 7 MET QB 1 8 GLN QG . . 4.920 4.171 4.078 4.622 . 0 0 "[ . 1 . 2]" 1
63 1 7 MET QB 1 53 GLU QG . . 3.500 3.713 3.402 3.953 0.453 13 0 "[ . 1 . 2]" 1
64 1 7 MET QB 1 55 PRO HA . . 4.600 3.684 2.695 4.071 . 0 0 "[ . 1 . 2]" 1
65 1 7 MET QB 1 84 ALA MB . . 4.250 4.127 3.865 4.540 0.290 11 0 "[ . 1 . 2]" 1
66 1 7 MET QB 1 85 GLN QB . . 3.670 3.601 3.351 3.629 . 0 0 "[ . 1 . 2]" 1
67 1 7 MET QG 1 8 GLN H . . 3.760 2.983 2.733 3.296 . 0 0 "[ . 1 . 2]" 1
68 1 7 MET QG 1 53 GLU QB . . 4.200 3.702 3.565 3.885 . 0 0 "[ . 1 . 2]" 1
69 1 7 MET QG 1 53 GLU QG . . 3.300 1.977 1.878 2.226 . 0 0 "[ . 1 . 2]" 1
70 1 7 MET HG2 1 8 GLN H . . 4.310 3.725 2.772 4.567 0.257 13 0 "[ . 1 . 2]" 1
71 1 7 MET HG3 1 8 GLN H . . 4.310 3.394 2.833 4.423 0.113 7 0 "[ . 1 . 2]" 1
72 1 8 GLN H 1 8 GLN QB . . 3.290 2.882 2.801 2.932 . 0 0 "[ . 1 . 2]" 1
73 1 8 GLN H 1 8 GLN QG . . 3.710 3.061 2.860 3.754 0.044 11 0 "[ . 1 . 2]" 1
74 1 8 GLN H 1 9 LEU H . . 4.450 4.391 4.388 4.395 . 0 0 "[ . 1 . 2]" 1
75 1 8 GLN H 1 53 GLU HA . . 4.880 3.801 3.649 3.934 . 0 0 "[ . 1 . 2]" 1
76 1 8 GLN H 1 54 LEU H . . 3.770 3.565 3.243 3.762 . 0 0 "[ . 1 . 2]" 1
77 1 8 GLN H 1 55 PRO HA . . 3.650 5.686 5.076 5.805 2.155 5 20 [****+************-**] 1
78 1 8 GLN H 1 56 LYS H . . 3.840 6.617 6.216 6.714 2.874 4 20 [***+*************-**] 1
79 1 8 GLN H 1 56 LYS HA . . 4.750 8.649 8.338 8.764 4.014 4 20 [***+*************-**] 1
80 1 8 GLN H 1 84 ALA H . . 5.290 6.446 6.235 6.700 1.410 1 20 [+*****************-*] 1
81 1 8 GLN H 1 84 ALA MB . . 3.640 5.544 5.301 5.942 2.302 11 20 [**********+*-*******] 1
82 1 8 GLN HA 1 8 GLN QG . . 3.460 2.502 2.326 2.597 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLN HA 1 9 LEU H . . 2.600 2.526 2.522 2.538 . 0 0 "[ . 1 . 2]" 1
84 1 8 GLN HA 1 9 LEU HA . . 4.580 4.405 4.387 4.432 . 0 0 "[ . 1 . 2]" 1
85 1 8 GLN HA 1 80 LEU QD . . 4.700 3.919 3.846 3.984 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLN HA 1 82 GLY H . . 5.250 4.667 4.590 4.722 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLN HA 1 83 ASP H . . 3.200 2.819 2.577 3.007 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLN HA 1 84 ALA H . . 3.000 5.137 4.907 5.430 2.430 11 20 [**********+*-*******] 1
89 1 8 GLN HA 1 84 ALA HA . . 5.500 4.536 4.412 4.886 . 0 0 "[ . 1 . 2]" 1
90 1 8 GLN HA 1 84 ALA MB . . 4.360 5.380 5.160 5.793 1.433 11 20 [**********+*-*******] 1
91 1 8 GLN QB 1 8 GLN QG . . 2.360 2.082 2.016 2.086 . 0 0 "[ . 1 . 2]" 1
92 1 8 GLN QB 1 9 LEU H . . 2.850 2.189 2.125 2.242 . 0 0 "[ . 1 . 2]" 1
93 1 8 GLN QB 1 56 LYS QB . . 4.300 7.348 7.068 7.690 3.390 18 20 [*********-*******+**] 1
94 1 8 GLN QB 1 80 LEU QD . . 3.740 1.895 1.855 1.954 . 0 0 "[ . 1 . 2]" 1
95 1 8 GLN HB2 1 9 LEU H . . 3.700 3.270 3.160 3.397 . 0 0 "[ . 1 . 2]" 1
96 1 8 GLN HB3 1 9 LEU H . . 3.700 2.225 2.147 2.293 . 0 0 "[ . 1 . 2]" 1
97 1 8 GLN QG 1 56 LYS HA . . 3.900 9.244 8.927 10.425 6.525 11 20 [**********+******-**] 1
98 1 8 GLN QG 1 56 LYS QB . . 3.510 7.175 6.866 8.261 4.751 11 20 [**********+*****-***] 1
99 1 8 GLN QG 1 80 LEU QD . . 4.950 2.986 2.190 3.099 . 0 0 "[ . 1 . 2]" 1
100 1 9 LEU H 1 9 LEU HB2 . . 2.920 2.798 2.669 2.933 0.013 1 0 "[ . 1 . 2]" 1
101 1 9 LEU H 1 9 LEU QB . . 2.500 2.441 2.402 2.488 . 0 0 "[ . 1 . 2]" 1
102 1 9 LEU H 1 9 LEU HB3 . . 2.920 2.693 2.637 2.741 . 0 0 "[ . 1 . 2]" 1
103 1 9 LEU H 1 9 LEU QD . . 4.280 3.815 3.732 3.884 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU H 1 10 TYR H . . 4.670 4.206 4.136 4.331 . 0 0 "[ . 1 . 2]" 1
105 1 9 LEU H 1 80 LEU QD . . 3.600 3.072 2.945 3.150 . 0 0 "[ . 1 . 2]" 1
106 1 9 LEU H 1 81 LEU H . . 4.260 4.029 3.906 4.071 . 0 0 "[ . 1 . 2]" 1
107 1 9 LEU H 1 81 LEU QD . . 4.760 3.845 3.706 3.960 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU H 1 81 LEU HG . . 3.670 3.573 3.380 3.673 0.003 20 0 "[ . 1 . 2]" 1
109 1 9 LEU H 1 82 GLY H . . 3.540 2.636 2.561 2.705 . 0 0 "[ . 1 . 2]" 1
110 1 9 LEU H 1 82 GLY QA . . 4.090 1.980 1.934 2.116 . 0 0 "[ . 1 . 2]" 1
111 1 9 LEU H 1 83 ASP H . . 3.160 3.669 3.536 3.756 0.596 11 13 "[** ** ***1+* ** *- 2]" 1
112 1 9 LEU H 1 84 ALA H . . 3.260 6.696 6.395 6.986 3.726 1 20 [+***********-*******] 1
113 1 9 LEU HA 1 9 LEU QD . . 3.420 2.169 1.980 2.290 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU HA 1 10 TYR H . . 2.470 2.150 2.139 2.154 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU HA 1 53 GLU HA . . 3.620 3.400 2.995 3.559 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU HA 1 54 LEU H . . 3.990 5.214 4.722 5.406 1.416 5 20 [****+************-**] 1
117 1 9 LEU QB 1 10 TYR H . . 3.580 3.884 3.819 3.902 0.322 1 0 "[ . 1 . 2]" 1
118 1 9 LEU QB 1 81 LEU QD . . 3.370 2.201 2.072 2.381 . 0 0 "[ . 1 . 2]" 1
119 1 9 LEU QB 1 81 LEU HG . . 4.280 2.160 1.982 2.467 . 0 0 "[ . 1 . 2]" 1
120 1 9 LEU HB2 1 10 TYR H . . 4.160 4.472 4.412 4.514 0.354 5 0 "[ . 1 . 2]" 1
121 1 9 LEU HB2 1 81 LEU QD . . 4.030 3.297 3.079 3.568 . 0 0 "[ . 1 . 2]" 1
122 1 9 LEU HB3 1 10 TYR H . . 4.160 4.265 4.183 4.310 0.150 1 0 "[ . 1 . 2]" 1
123 1 9 LEU HB3 1 81 LEU QD . . 4.030 2.235 2.101 2.418 . 0 0 "[ . 1 . 2]" 1
124 1 9 LEU QD 1 10 TYR H . . 3.010 3.218 3.024 3.385 0.375 14 0 "[ . 1 . 2]" 1
125 1 9 LEU QD 1 51 THR HA . . 4.920 3.699 3.569 4.015 . 0 0 "[ . 1 . 2]" 1
126 1 9 LEU QD 1 51 THR HB . . 3.810 2.065 1.945 2.453 . 0 0 "[ . 1 . 2]" 1
127 1 9 LEU QD 1 51 THR MG . . 3.480 2.559 2.300 2.806 . 0 0 "[ . 1 . 2]" 1
128 1 9 LEU QD 1 52 ILE H . . 3.670 2.346 2.087 2.576 . 0 0 "[ . 1 . 2]" 1
129 1 9 LEU QD 1 53 GLU HA . . 4.270 3.751 3.547 3.990 . 0 0 "[ . 1 . 2]" 1
130 1 9 LEU QD 1 81 LEU QD . . 2.700 1.962 1.784 2.141 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU QD 1 81 LEU HG . . 4.230 3.185 2.913 3.360 . 0 0 "[ . 1 . 2]" 1
132 1 9 LEU QD 1 84 ALA H . . 3.810 8.522 8.363 8.758 4.948 1 20 [+***********-*******] 1
133 1 9 LEU QD 1 84 ALA HA . . 4.560 8.175 8.012 8.522 3.962 11 20 [****-*****+*********] 1
134 1 9 LEU HG 1 10 TYR H . . 3.080 3.488 3.209 3.617 0.537 4 2 "[ +- 1 . 2]" 1
135 1 9 LEU HG 1 51 THR HA . . 5.410 4.142 3.815 4.416 . 0 0 "[ . 1 . 2]" 1
136 1 9 LEU HG 1 51 THR MG . . 4.600 3.060 2.899 3.553 . 0 0 "[ . 1 . 2]" 1
137 1 10 TYR H 1 10 TYR QB . . 2.930 2.780 2.623 2.866 . 0 0 "[ . 1 . 2]" 1
138 1 10 TYR H 1 51 THR HA . . 4.530 4.488 4.391 4.581 0.051 18 0 "[ . 1 . 2]" 1
139 1 10 TYR H 1 51 THR HB . . 3.660 4.255 4.139 4.348 0.688 13 19 "[******** ***+***-***]" 1
140 1 10 TYR H 1 52 ILE H . . 3.190 2.976 2.837 3.020 . 0 0 "[ . 1 . 2]" 1
141 1 10 TYR H 1 53 GLU H . . 5.500 5.383 5.165 5.472 . 0 0 "[ . 1 . 2]" 1
142 1 10 TYR H 1 53 GLU HA . . 4.180 3.876 3.599 3.980 . 0 0 "[ . 1 . 2]" 1
143 1 10 TYR H 1 80 LEU HA . . 4.890 5.466 5.442 5.499 0.609 19 20 [***-**************+*] 1
144 1 10 TYR H 1 81 LEU QD . . 4.030 4.315 4.112 4.458 0.428 7 0 "[ . 1 . 2]" 1
145 1 10 TYR HA 1 11 ARG H . . 2.650 2.141 2.138 2.151 . 0 0 "[ . 1 . 2]" 1
146 1 10 TYR HA 1 11 ARG QG . . 5.140 3.893 3.782 4.030 . 0 0 "[ . 1 . 2]" 1
147 1 10 TYR HA 1 52 ILE H . . 5.180 5.058 4.914 5.124 . 0 0 "[ . 1 . 2]" 1
148 1 10 TYR HA 1 80 LEU HA . . 3.630 3.177 3.077 3.245 . 0 0 "[ . 1 . 2]" 1
149 1 10 TYR HA 1 80 LEU QD . . 5.190 3.623 3.402 3.758 . 0 0 "[ . 1 . 2]" 1
150 1 10 TYR HA 1 81 LEU H . . 3.040 3.417 3.367 3.455 0.415 12 0 "[ . 1 . 2]" 1
151 1 10 TYR HA 1 81 LEU HG . . 5.070 4.324 4.218 4.401 . 0 0 "[ . 1 . 2]" 1
152 1 10 TYR HA 1 82 GLY H . . 5.150 4.557 4.469 4.657 . 0 0 "[ . 1 . 2]" 1
153 1 10 TYR QB 1 11 ARG H . . 3.820 3.381 3.200 3.442 . 0 0 "[ . 1 . 2]" 1
154 1 10 TYR QB 1 52 ILE H . . 3.930 4.259 4.083 4.426 0.496 1 0 "[ . 1 . 2]" 1
155 1 10 TYR QB 1 52 ILE MG . . 4.990 3.189 2.924 3.514 . 0 0 "[ . 1 . 2]" 1
156 1 10 TYR QB 1 81 LEU H . . 4.410 4.943 4.723 5.121 0.711 13 13 "[ **** ** *+** -**2]" 1
157 1 11 ARG H 1 11 ARG QB . . 3.510 2.761 2.696 2.843 . 0 0 "[ . 1 . 2]" 1
158 1 11 ARG H 1 11 ARG QG . . 3.190 2.030 1.935 2.168 . 0 0 "[ . 1 . 2]" 1
159 1 11 ARG H 1 12 ILE H . . 4.610 4.471 4.448 4.479 . 0 0 "[ . 1 . 2]" 1
160 1 11 ARG H 1 51 THR HA . . 4.850 4.485 4.359 4.618 . 0 0 "[ . 1 . 2]" 1
161 1 11 ARG H 1 51 THR HB . . 5.350 5.051 4.854 5.103 . 0 0 "[ . 1 . 2]" 1
162 1 11 ARG H 1 51 THR MG . . 4.700 4.289 4.183 4.392 . 0 0 "[ . 1 . 2]" 1
163 1 11 ARG H 1 78 MET HB2 . . 4.100 3.515 3.381 3.629 . 0 0 "[ . 1 . 2]" 1
164 1 11 ARG H 1 79 GLN H . . 4.060 3.148 3.003 3.219 . 0 0 "[ . 1 . 2]" 1
165 1 11 ARG H 1 80 LEU HA . . 4.380 4.507 4.325 4.631 0.251 1 0 "[ . 1 . 2]" 1
166 1 11 ARG H 1 81 LEU QD . . 3.330 2.989 2.724 3.198 . 0 0 "[ . 1 . 2]" 1
167 1 11 ARG HA 1 11 ARG HD2 . . 5.500 4.602 3.835 5.103 . 0 0 "[ . 1 . 2]" 1
168 1 11 ARG HA 1 11 ARG QD . . 4.830 3.790 3.685 3.914 . 0 0 "[ . 1 . 2]" 1
169 1 11 ARG HA 1 11 ARG HD3 . . 5.500 4.250 3.851 4.997 . 0 0 "[ . 1 . 2]" 1
170 1 11 ARG HA 1 12 ILE H . . 2.490 2.164 2.161 2.166 . 0 0 "[ . 1 . 2]" 1
171 1 11 ARG HA 1 51 THR HA . . 3.430 2.194 2.109 2.317 . 0 0 "[ . 1 . 2]" 1
172 1 11 ARG HA 1 51 THR HB . . 4.050 3.842 3.628 3.924 . 0 0 "[ . 1 . 2]" 1
173 1 11 ARG HA 1 51 THR MG . . 3.840 2.690 2.512 2.817 . 0 0 "[ . 1 . 2]" 1
174 1 11 ARG QB 1 12 ILE H . . 2.760 3.114 3.095 3.128 0.368 13 0 "[ . 1 . 2]" 1
175 1 11 ARG QB 1 12 ILE MD . . 5.030 5.900 5.861 5.942 0.912 18 20 [*****************+*-] 1
176 1 11 ARG QB 1 12 ILE QG . . 5.500 4.574 4.524 4.637 . 0 0 "[ . 1 . 2]" 1
177 1 11 ARG QB 1 51 THR HA . . 4.930 3.349 3.220 3.542 . 0 0 "[ . 1 . 2]" 1
178 1 11 ARG QB 1 51 THR MG . . 3.960 2.072 1.912 2.203 . 0 0 "[ . 1 . 2]" 1
179 1 11 ARG QB 1 78 MET HB2 . . 4.700 5.037 4.942 5.288 0.588 16 2 "[ . 1 -+ 2]" 1
180 1 11 ARG QB 1 78 MET QG . . 4.250 6.503 6.317 6.629 2.379 5 20 [****+**********-****] 1
181 1 11 ARG QB 1 81 LEU QD . . 3.740 2.707 2.402 2.956 . 0 0 "[ . 1 . 2]" 1
182 1 11 ARG QD 1 78 MET QG . . 4.160 6.025 5.691 6.486 2.326 8 20 [***-***+************] 1
183 1 11 ARG QD 1 81 LEU QD . . 3.740 4.083 3.829 4.258 0.518 11 2 "[ . 1+ . - 2]" 1
184 1 11 ARG HD2 1 81 LEU QD . . 4.370 4.630 4.142 5.102 0.732 11 5 "[* . * -1+ . * 2]" 1
185 1 11 ARG HD3 1 81 LEU QD . . 4.370 4.587 4.123 4.805 0.435 5 0 "[ . 1 . 2]" 1
186 1 11 ARG QG 1 12 ILE HA . . 4.250 4.601 4.445 4.716 0.466 19 0 "[ . 1 . 2]" 1
187 1 11 ARG QG 1 51 THR MG . . 4.610 3.680 3.524 3.897 . 0 0 "[ . 1 . 2]" 1
188 1 11 ARG QG 1 81 LEU QB . . 4.840 3.409 3.038 3.661 . 0 0 "[ . 1 . 2]" 1
189 1 11 ARG QG 1 81 LEU QD . . 3.720 2.321 2.043 2.606 . 0 0 "[ . 1 . 2]" 1
190 1 12 ILE H 1 12 ILE MD . . 2.990 3.730 3.709 3.770 0.780 14 20 [*************+*****-] 1
191 1 12 ILE H 1 14 VAL H . . 4.520 4.422 4.378 4.527 0.007 18 0 "[ . 1 . 2]" 1
192 1 12 ILE H 1 49 HIS QB . . 4.120 4.501 4.068 4.909 0.789 18 3 "[ . - 1 . +*2]" 1
193 1 12 ILE H 1 50 SER QB . . 5.080 4.162 3.791 4.310 . 0 0 "[ . 1 . 2]" 1
194 1 12 ILE H 1 51 THR MG . . 3.520 3.996 3.714 4.094 0.574 14 9 "[* - * * * * +** 2]" 1
195 1 12 ILE HA 1 12 ILE MD . . 3.850 4.176 4.171 4.179 0.329 18 0 "[ . 1 . 2]" 1
196 1 12 ILE HA 1 12 ILE QG . . 3.700 3.307 3.304 3.309 . 0 0 "[ . 1 . 2]" 1
197 1 12 ILE HA 1 12 ILE MG . . 3.200 2.381 2.343 2.415 . 0 0 "[ . 1 . 2]" 1
198 1 12 ILE HA 1 13 GLU H . . 2.760 2.446 2.364 2.496 . 0 0 "[ . 1 . 2]" 1
199 1 12 ILE HA 1 13 GLU QG . . 5.100 5.755 5.628 5.932 0.832 17 20 [********-*******+***] 1
200 1 12 ILE HA 1 14 VAL H . . 4.680 4.485 4.372 4.561 . 0 0 "[ . 1 . 2]" 1
201 1 12 ILE HA 1 76 MET QG . . 4.680 6.374 6.174 6.621 1.941 4 20 [***+***-************] 1
202 1 12 ILE HA 1 77 ASN H . . 4.490 4.056 3.934 4.247 . 0 0 "[ . 1 . 2]" 1
203 1 12 ILE HA 1 77 ASN QB . . 4.130 4.673 4.571 4.785 0.655 19 17 "[***** ********. **+-]" 1
204 1 12 ILE HA 1 78 MET HA . . 5.060 2.322 2.140 2.420 . 0 0 "[ . 1 . 2]" 1
205 1 12 ILE HA 1 78 MET HG2 . . 4.970 4.270 4.035 4.409 . 0 0 "[ . 1 . 2]" 1
206 1 12 ILE HA 1 78 MET QG . . 4.320 3.892 3.569 3.994 . 0 0 "[ . 1 . 2]" 1
207 1 12 ILE HA 1 78 MET HG3 . . 4.970 4.516 3.852 4.739 . 0 0 "[ . 1 . 2]" 1
208 1 12 ILE HB 1 14 VAL HB . . 4.950 4.115 3.956 4.193 . 0 0 "[ . 1 . 2]" 1
209 1 12 ILE HB 1 14 VAL MG1 . . 5.170 5.235 5.169 5.290 0.120 3 0 "[ . 1 . 2]" 1
210 1 12 ILE HB 1 14 VAL QG . . 3.860 2.760 2.628 2.833 . 0 0 "[ . 1 . 2]" 1
211 1 12 ILE HB 1 14 VAL MG2 . . 5.170 2.770 2.636 2.844 . 0 0 "[ . 1 . 2]" 1
212 1 12 ILE HB 1 78 MET HB3 . . 5.450 3.276 3.147 3.525 . 0 0 "[ . 1 . 2]" 1
213 1 12 ILE MD 1 13 GLU HA . . 5.500 5.281 5.127 5.380 . 0 0 "[ . 1 . 2]" 1
214 1 12 ILE MD 1 14 VAL H . . 2.760 3.337 2.980 3.443 0.683 19 18 "[*********-*** .***+*]" 1
215 1 12 ILE MD 1 14 VAL HB . . 4.270 2.116 1.954 2.226 . 0 0 "[ . 1 . 2]" 1
216 1 12 ILE MD 1 14 VAL QG . . 2.840 2.381 2.219 2.430 . 0 0 "[ . 1 . 2]" 1
217 1 12 ILE MD 1 49 HIS QB . . 4.640 5.701 5.361 5.856 1.216 7 20 [******+******-******] 1
218 1 12 ILE MD 1 50 SER H . . 3.150 4.205 3.934 4.319 1.169 3 20 [**+**********-******] 1
219 1 12 ILE MD 1 50 SER QB . . 3.650 3.055 2.217 3.322 . 0 0 "[ . 1 . 2]" 1
220 1 12 ILE MD 1 76 MET QG . . 4.140 5.584 5.362 5.974 1.834 18 20 [**************-**+**] 1
221 1 12 ILE QG 1 14 VAL HB . . 4.520 2.805 2.672 3.236 . 0 0 "[ . 1 . 2]" 1
222 1 12 ILE QG 1 14 VAL QG . . 4.140 2.806 2.673 3.285 . 0 0 "[ . 1 . 2]" 1
223 1 12 ILE QG 1 76 MET QG . . 4.270 6.415 6.228 6.710 2.440 18 20 [*******-*********+**] 1
224 1 12 ILE MG 1 13 GLU H . . 3.490 3.738 3.639 3.840 0.350 19 0 "[ . 1 . 2]" 1
225 1 12 ILE MG 1 14 VAL QG . . 3.930 3.866 3.801 3.937 0.007 14 0 "[ . 1 . 2]" 1
226 1 12 ILE MG 1 76 MET QB . . 4.170 4.328 4.061 4.590 0.420 18 0 "[ . 1 . 2]" 1
227 1 12 ILE MG 1 76 MET QG . . 4.040 5.716 5.468 5.937 1.897 18 20 [**************-**+**] 1
228 1 12 ILE MG 1 77 ASN H . . 3.920 3.929 3.644 4.215 0.295 18 0 "[ . 1 . 2]" 1
229 1 12 ILE MG 1 78 MET H . . 3.300 4.051 3.894 4.261 0.961 18 20 [*************-***+**] 1
230 1 12 ILE MG 1 78 MET HA . . 4.650 3.737 3.672 3.802 . 0 0 "[ . 1 . 2]" 1
231 1 12 ILE MG 1 78 MET HB3 . . 3.920 1.920 1.910 1.937 . 0 0 "[ . 1 . 2]" 1
232 1 12 ILE MG 1 78 MET QG . . 5.100 2.753 2.266 3.147 . 0 0 "[ . 1 . 2]" 1
233 1 13 GLU H 1 13 GLU QB . . 3.000 2.361 2.317 2.381 . 0 0 "[ . 1 . 2]" 1
234 1 13 GLU H 1 13 GLU QG . . 2.820 4.042 4.016 4.111 1.291 4 20 [***+****-***********] 1
235 1 13 GLU H 1 14 VAL H . . 3.430 3.255 3.048 3.332 . 0 0 "[ . 1 . 2]" 1
236 1 13 GLU H 1 77 ASN H . . 3.760 3.262 3.162 3.354 . 0 0 "[ . 1 . 2]" 1
237 1 13 GLU H 1 77 ASN QB . . 3.890 3.231 3.098 3.345 . 0 0 "[ . 1 . 2]" 1
238 1 13 GLU H 1 78 MET H . . 3.910 4.655 4.439 4.926 1.016 16 20 [***************+**-*] 1
239 1 13 GLU HA 1 14 VAL H . . 2.740 2.676 2.646 2.777 0.037 14 0 "[ . 1 . 2]" 1
240 1 13 GLU HA 1 14 VAL HA . . 4.550 4.367 4.362 4.381 . 0 0 "[ . 1 . 2]" 1
241 1 13 GLU HA 1 49 HIS HA . . 3.530 2.985 2.786 3.161 . 0 0 "[ . 1 . 2]" 1
242 1 13 GLU QB 1 77 ASN QB . . 4.100 2.165 1.915 2.351 . 0 0 "[ . 1 . 2]" 1
243 1 13 GLU QG 1 14 VAL H . . 5.040 4.220 4.169 4.287 . 0 0 "[ . 1 . 2]" 1
244 1 13 GLU QG 1 77 ASN HA . . 4.630 6.596 5.993 6.870 2.240 8 20 [***-***+************] 1
245 1 13 GLU QG 1 77 ASN QB . . 2.770 3.834 3.257 4.040 1.270 8 19 "[*** ***+********-***]" 1
246 1 14 VAL H 1 14 VAL HB . . 3.700 2.972 2.911 3.007 . 0 0 "[ . 1 . 2]" 1
247 1 14 VAL H 1 14 VAL QG . . 3.140 2.682 2.662 2.696 . 0 0 "[ . 1 . 2]" 1
248 1 14 VAL H 1 15 GLY H . . 4.430 4.314 4.261 4.350 . 0 0 "[ . 1 . 2]" 1
249 1 14 VAL H 1 49 HIS H . . 4.850 4.388 4.250 4.577 . 0 0 "[ . 1 . 2]" 1
250 1 14 VAL H 1 49 HIS HA . . 2.770 2.256 2.145 2.409 . 0 0 "[ . 1 . 2]" 1
251 1 14 VAL H 1 50 SER H . . 3.720 3.600 3.546 3.674 . 0 0 "[ . 1 . 2]" 1
252 1 14 VAL H 1 50 SER QB . . 4.340 4.870 3.696 5.124 0.784 10 18 "[**-******+*** *** **]" 1
253 1 14 VAL HA 1 15 GLY H . . 2.400 2.201 2.173 2.229 . 0 0 "[ . 1 . 2]" 1
254 1 14 VAL HA 1 48 SER HA . . 4.040 3.317 3.218 3.428 . 0 0 "[ . 1 . 2]" 1
255 1 14 VAL HA 1 49 HIS H . . 5.130 4.822 4.741 4.903 . 0 0 "[ . 1 . 2]" 1
256 1 14 VAL HB 1 20 VAL HB . . 5.080 3.624 3.518 3.783 . 0 0 "[ . 1 . 2]" 1
257 1 14 VAL HB 1 20 VAL QG . . 4.230 2.512 2.409 2.853 . 0 0 "[ . 1 . 2]" 1
258 1 14 VAL QG 1 15 GLY H . . 2.980 2.232 2.151 2.381 . 0 0 "[ . 1 . 2]" 1
259 1 14 VAL QG 1 18 ASP H . . 4.280 3.847 3.666 3.947 . 0 0 "[ . 1 . 2]" 1
260 1 14 VAL QG 1 18 ASP QB . . 3.950 1.857 1.791 1.886 . 0 0 "[ . 1 . 2]" 1
261 1 14 VAL QG 1 20 VAL HB . . 3.600 2.142 2.005 2.501 . 0 0 "[ . 1 . 2]" 1
262 1 14 VAL QG 1 20 VAL QG . . 2.620 2.005 1.883 2.516 . 0 0 "[ . 1 . 2]" 1
263 1 14 VAL QG 1 48 SER HA . . 4.600 4.121 4.044 4.216 . 0 0 "[ . 1 . 2]" 1
264 1 14 VAL QG 1 76 MET QB . . 5.160 3.035 2.901 3.122 . 0 0 "[ . 1 . 2]" 1
265 1 14 VAL QG 1 76 MET QG . . 4.240 3.483 3.425 3.588 . 0 0 "[ . 1 . 2]" 1
266 1 14 VAL QG 1 77 ASN H . . 4.400 4.050 3.840 4.178 . 0 0 "[ . 1 . 2]" 1
267 1 14 VAL MG1 1 20 VAL MG1 . . 4.560 2.042 1.910 2.625 . 0 0 "[ . 1 . 2]" 1
268 1 14 VAL MG1 1 20 VAL MG2 . . 4.560 3.123 3.017 3.421 . 0 0 "[ . 1 . 2]" 1
269 1 14 VAL MG2 1 20 VAL MG1 . . 4.560 3.885 3.778 4.247 . 0 0 "[ . 1 . 2]" 1
270 1 14 VAL MG2 1 20 VAL MG2 . . 4.560 4.360 4.252 4.688 0.128 14 0 "[ . 1 . 2]" 1
271 1 15 GLY H 1 15 GLY HA3 . . 2.870 2.640 2.595 2.658 . 0 0 "[ . 1 . 2]" 1
272 1 15 GLY H 1 17 ASP H . . 4.560 4.308 4.169 4.540 . 0 0 "[ . 1 . 2]" 1
273 1 15 GLY H 1 18 ASP H . . 3.280 2.899 2.825 3.018 . 0 0 "[ . 1 . 2]" 1
274 1 15 GLY H 1 18 ASP QB . . 2.730 1.878 1.846 1.985 . 0 0 "[ . 1 . 2]" 1
275 1 15 GLY H 1 19 GLY H . . 4.340 3.744 3.630 4.076 . 0 0 "[ . 1 . 2]" 1
276 1 15 GLY H 1 20 VAL H . . 4.540 4.287 4.173 4.611 0.071 14 0 "[ . 1 . 2]" 1
277 1 15 GLY H 1 48 SER HA . . 3.320 2.401 2.224 2.527 . 0 0 "[ . 1 . 2]" 1
278 1 15 GLY H 1 49 HIS H . . 4.150 4.133 4.044 4.184 0.034 19 0 "[ . 1 . 2]" 1
279 1 15 GLY HA2 1 16 ARG H . . 3.080 2.692 2.671 2.727 . 0 0 "[ . 1 . 2]" 1
280 1 15 GLY HA2 1 16 ARG HA . . 4.440 4.313 4.309 4.320 . 0 0 "[ . 1 . 2]" 1
281 1 15 GLY HA2 1 16 ARG QG . . 5.030 4.378 4.318 4.459 . 0 0 "[ . 1 . 2]" 1
282 1 15 GLY HA2 1 20 VAL HB . . 5.500 4.542 4.314 4.612 . 0 0 "[ . 1 . 2]" 1
283 1 15 GLY HA2 1 20 VAL QG . . 4.400 2.061 1.981 2.104 . 0 0 "[ . 1 . 2]" 1
284 1 15 GLY HA2 1 45 LEU QD . . 4.730 2.457 2.368 2.679 . 0 0 "[ . 1 . 2]" 1
285 1 15 GLY HA2 1 48 SER HA . . 4.280 3.785 3.687 3.941 . 0 0 "[ . 1 . 2]" 1
286 1 15 GLY HA2 1 49 HIS H . . 3.950 3.276 3.198 3.536 . 0 0 "[ . 1 . 2]" 1
287 1 15 GLY HA2 1 50 SER QB . . 4.030 3.920 3.617 4.356 0.326 14 0 "[ . 1 . 2]" 1
288 1 15 GLY HA3 1 16 ARG H . . 2.600 2.441 2.411 2.460 . 0 0 "[ . 1 . 2]" 1
289 1 15 GLY HA3 1 17 ASP H . . 3.730 3.382 3.266 3.547 . 0 0 "[ . 1 . 2]" 1
290 1 15 GLY HA3 1 18 ASP H . . 4.040 3.762 3.725 3.935 . 0 0 "[ . 1 . 2]" 1
291 1 15 GLY HA3 1 20 VAL H . . 5.230 4.999 4.970 5.041 . 0 0 "[ . 1 . 2]" 1
292 1 15 GLY HA3 1 20 VAL QG . . 4.590 3.299 3.261 3.323 . 0 0 "[ . 1 . 2]" 1
293 1 15 GLY HA3 1 45 LEU QD . . 4.930 3.337 3.265 3.399 . 0 0 "[ . 1 . 2]" 1
294 1 15 GLY HA3 1 48 SER H . . 4.060 3.379 3.222 3.497 . 0 0 "[ . 1 . 2]" 1
295 1 15 GLY HA3 1 48 SER HA . . 3.510 2.386 2.268 2.590 . 0 0 "[ . 1 . 2]" 1
296 1 15 GLY HA3 1 49 HIS H . . 2.840 2.385 2.315 2.518 . 0 0 "[ . 1 . 2]" 1
297 1 16 ARG H 1 16 ARG HB2 . . 3.680 3.584 3.579 3.589 . 0 0 "[ . 1 . 2]" 1
298 1 16 ARG H 1 16 ARG HB3 . . 2.800 2.650 2.599 2.687 . 0 0 "[ . 1 . 2]" 1
299 1 16 ARG H 1 16 ARG HG2 . . 3.070 2.014 1.939 2.110 . 0 0 "[ . 1 . 2]" 1
300 1 16 ARG H 1 16 ARG QG . . 2.500 1.983 1.919 2.070 . 0 0 "[ . 1 . 2]" 1
301 1 16 ARG H 1 16 ARG HG3 . . 3.070 2.988 2.860 3.075 0.005 10 0 "[ . 1 . 2]" 1
302 1 16 ARG H 1 17 ASP H . . 2.830 2.743 2.703 2.818 . 0 0 "[ . 1 . 2]" 1
303 1 16 ARG H 1 18 ASP H . . 4.060 4.009 3.968 4.104 0.044 14 0 "[ . 1 . 2]" 1
304 1 16 ARG H 1 19 GLY H . . 4.800 4.703 4.637 4.737 . 0 0 "[ . 1 . 2]" 1
305 1 16 ARG H 1 20 VAL H . . 4.800 4.367 4.244 4.409 . 0 0 "[ . 1 . 2]" 1
306 1 16 ARG H 1 45 LEU QD . . 3.400 2.352 2.278 2.416 . 0 0 "[ . 1 . 2]" 1
307 1 16 ARG H 1 46 PHE H . . 4.620 4.890 4.812 4.952 0.332 10 0 "[ . 1 . 2]" 1
308 1 16 ARG H 1 47 ALA H . . 5.130 4.894 4.846 4.998 . 0 0 "[ . 1 . 2]" 1
309 1 16 ARG H 1 49 HIS H . . 4.630 4.391 4.294 4.516 . 0 0 "[ . 1 . 2]" 1
310 1 16 ARG HA 1 16 ARG HD2 . . 5.500 4.946 4.593 5.517 0.017 12 0 "[ . 1 . 2]" 1
311 1 16 ARG HA 1 16 ARG QD . . 4.770 4.361 4.260 4.550 . 0 0 "[ . 1 . 2]" 1
312 1 16 ARG HA 1 16 ARG HD3 . . 5.500 4.974 4.579 5.530 0.030 15 0 "[ . 1 . 2]" 1
313 1 16 ARG HA 1 16 ARG HG2 . . 4.210 3.740 3.691 3.788 . 0 0 "[ . 1 . 2]" 1
314 1 16 ARG HA 1 16 ARG QG . . 3.580 3.333 3.327 3.340 . 0 0 "[ . 1 . 2]" 1
315 1 16 ARG HA 1 16 ARG HG3 . . 4.210 3.744 3.710 3.790 . 0 0 "[ . 1 . 2]" 1
316 1 16 ARG HA 1 18 ASP H . . 3.950 3.826 3.766 3.867 . 0 0 "[ . 1 . 2]" 1
317 1 16 ARG HA 1 20 VAL H . . 3.560 2.691 2.478 2.781 . 0 0 "[ . 1 . 2]" 1
318 1 16 ARG HA 1 20 VAL QG . . 4.180 3.357 3.181 3.440 . 0 0 "[ . 1 . 2]" 1
319 1 16 ARG HA 1 45 LEU QD . . 4.650 3.264 3.194 3.372 . 0 0 "[ . 1 . 2]" 1
320 1 16 ARG HB2 1 47 ALA HA . . 4.980 4.619 4.571 4.686 . 0 0 "[ . 1 . 2]" 1
321 1 16 ARG HB3 1 45 LEU HG . . 4.770 4.624 4.523 4.705 . 0 0 "[ . 1 . 2]" 1
322 1 16 ARG QD 1 17 ASP H . . 4.770 4.155 3.918 4.286 . 0 0 "[ . 1 . 2]" 1
323 1 16 ARG QD 1 45 LEU QD . . 4.290 3.356 2.932 3.942 . 0 0 "[ . 1 . 2]" 1
324 1 16 ARG HD2 1 17 ASP H . . 5.500 4.636 4.278 5.049 . 0 0 "[ . 1 . 2]" 1
325 1 16 ARG HD2 1 45 LEU QD . . 4.890 4.077 3.142 4.631 . 0 0 "[ . 1 . 2]" 1
326 1 16 ARG HD3 1 17 ASP H . . 5.500 4.750 4.427 5.094 . 0 0 "[ . 1 . 2]" 1
327 1 16 ARG HD3 1 45 LEU QD . . 4.890 3.777 2.990 4.308 . 0 0 "[ . 1 . 2]" 1
328 1 16 ARG QG 1 17 ASP H . . 2.910 2.102 1.963 2.236 . 0 0 "[ . 1 . 2]" 1
329 1 16 ARG QG 1 45 LEU QD . . 3.510 2.789 2.717 2.870 . 0 0 "[ . 1 . 2]" 1
330 1 17 ASP H 1 17 ASP HB2 . . 2.450 2.265 2.205 2.343 . 0 0 "[ . 1 . 2]" 1
331 1 17 ASP H 1 18 ASP H . . 2.790 2.523 2.443 2.643 . 0 0 "[ . 1 . 2]" 1
332 1 17 ASP H 1 19 GLY H . . 4.260 4.176 4.105 4.259 . 0 0 "[ . 1 . 2]" 1
333 1 17 ASP H 1 20 VAL H . . 5.340 4.921 4.859 4.999 . 0 0 "[ . 1 . 2]" 1
334 1 17 ASP H 1 47 ALA H . . 5.310 5.346 5.328 5.372 0.062 10 0 "[ . 1 . 2]" 1
335 1 17 ASP H 1 47 ALA HA . . 2.890 2.740 2.730 2.765 . 0 0 "[ . 1 . 2]" 1
336 1 17 ASP H 1 48 SER H . . 5.050 4.868 4.814 4.913 . 0 0 "[ . 1 . 2]" 1
337 1 17 ASP H 1 48 SER HA . . 4.110 4.028 3.977 4.085 . 0 0 "[ . 1 . 2]" 1
338 1 17 ASP H 1 49 HIS H . . 5.270 5.354 5.293 5.424 0.154 18 0 "[ . 1 . 2]" 1
339 1 17 ASP HA 1 18 ASP H . . 3.540 3.414 3.401 3.445 . 0 0 "[ . 1 . 2]" 1
340 1 17 ASP HA 1 18 ASP HA . . 4.740 4.626 4.620 4.638 . 0 0 "[ . 1 . 2]" 1
341 1 17 ASP HB3 1 18 ASP H . . 3.210 3.205 3.095 3.264 0.054 9 0 "[ . 1 . 2]" 1
342 1 17 ASP HB3 1 48 SER HA . . 3.700 3.971 3.722 4.068 0.368 20 0 "[ . 1 . 2]" 1
343 1 18 ASP H 1 18 ASP HA . . 2.940 2.921 2.915 2.924 . 0 0 "[ . 1 . 2]" 1
344 1 18 ASP H 1 18 ASP QB . . 2.630 2.339 2.170 2.359 . 0 0 "[ . 1 . 2]" 1
345 1 18 ASP H 1 19 GLY H . . 2.560 2.250 2.235 2.278 . 0 0 "[ . 1 . 2]" 1
346 1 18 ASP H 1 20 VAL H . . 3.630 3.656 3.640 3.668 0.038 10 0 "[ . 1 . 2]" 1
347 1 18 ASP H 1 20 VAL QG . . 4.200 4.072 4.051 4.140 . 0 0 "[ . 1 . 2]" 1
348 1 18 ASP H 1 48 SER HA . . 4.290 3.769 3.675 3.897 . 0 0 "[ . 1 . 2]" 1
349 1 18 ASP HA 1 19 GLY H . . 3.530 3.535 3.533 3.537 0.007 10 0 "[ . 1 . 2]" 1
350 1 18 ASP HA 1 48 SER HA . . 5.020 5.376 5.283 5.669 0.649 14 2 "[ . 1 +. -2]" 1
351 1 18 ASP QB 1 19 GLY H . . 3.020 2.598 2.574 2.724 . 0 0 "[ . 1 . 2]" 1
352 1 18 ASP QB 1 20 VAL H . . 3.550 3.606 3.535 3.760 0.210 14 0 "[ . 1 . 2]" 1
353 1 19 GLY H 1 19 GLY QA . . 2.460 2.411 2.407 2.420 . 0 0 "[ . 1 . 2]" 1
354 1 19 GLY H 1 20 VAL H . . 2.570 1.865 1.839 1.874 . 0 0 "[ . 1 . 2]" 1
355 1 19 GLY H 1 20 VAL QG . . 3.810 3.434 3.414 3.497 . 0 0 "[ . 1 . 2]" 1
356 1 19 GLY QA 1 20 VAL H . . 3.100 2.766 2.755 2.781 . 0 0 "[ . 1 . 2]" 1
357 1 19 GLY QA 1 20 VAL HA . . 4.480 3.995 3.994 3.996 . 0 0 "[ . 1 . 2]" 1
358 1 20 VAL H 1 20 VAL QG . . 2.820 2.367 2.346 2.429 . 0 0 "[ . 1 . 2]" 1
359 1 20 VAL H 1 21 GLU H . . 4.680 4.415 4.407 4.428 . 0 0 "[ . 1 . 2]" 1
360 1 20 VAL HA 1 21 GLU H . . 2.440 2.270 2.246 2.275 . 0 0 "[ . 1 . 2]" 1
361 1 20 VAL HB 1 25 ILE MD . . 4.500 5.916 5.840 5.998 1.498 14 20 [*************+**-***] 1
362 1 20 VAL QG 1 21 GLU H . . 2.950 2.185 1.942 2.310 . 0 0 "[ . 1 . 2]" 1
363 1 20 VAL QG 1 21 GLU HA . . 4.240 3.349 3.334 3.362 . 0 0 "[ . 1 . 2]" 1
364 1 20 VAL QG 1 24 HIS HB2 . . 5.440 2.985 2.889 3.175 . 0 0 "[ . 1 . 2]" 1
365 1 20 VAL QG 1 24 HIS HB3 . . 4.060 2.008 1.920 2.164 . 0 0 "[ . 1 . 2]" 1
366 1 20 VAL QG 1 25 ILE HA . . 4.230 3.967 3.939 4.033 . 0 0 "[ . 1 . 2]" 1
367 1 20 VAL QG 1 25 ILE MD . . 2.770 3.058 2.987 3.125 0.355 14 0 "[ . 1 . 2]" 1
368 1 20 VAL QG 1 50 SER QB . . 4.310 3.115 3.032 3.306 . 0 0 "[ . 1 . 2]" 1
369 1 20 VAL MG1 1 21 GLU H . . 4.270 3.406 3.319 3.425 . 0 0 "[ . 1 . 2]" 1
370 1 20 VAL MG1 1 25 ILE MD . . 3.700 3.988 3.907 4.020 0.320 2 0 "[ . 1 . 2]" 1
371 1 20 VAL MG2 1 21 GLU H . . 4.270 2.212 1.954 2.351 . 0 0 "[ . 1 . 2]" 1
372 1 20 VAL MG2 1 25 ILE MD . . 3.700 3.177 3.082 3.277 . 0 0 "[ . 1 . 2]" 1
373 1 21 GLU H 1 21 GLU HB2 . . 2.910 2.859 2.832 2.874 . 0 0 "[ . 1 . 2]" 1
374 1 21 GLU H 1 21 GLU HB3 . . 3.830 3.841 3.830 3.849 0.019 17 0 "[ . 1 . 2]" 1
375 1 21 GLU H 1 21 GLU HG3 . . 3.560 3.365 2.884 4.136 0.576 2 7 "[ + -. * * * * *2]" 1
376 1 21 GLU H 1 22 VAL H . . 4.730 4.375 4.358 4.384 . 0 0 "[ . 1 . 2]" 1
377 1 21 GLU H 1 24 HIS H . . 3.370 3.431 3.378 3.490 0.120 17 0 "[ . 1 . 2]" 1
378 1 21 GLU H 1 24 HIS HB2 . . 3.540 1.951 1.937 2.018 . 0 0 "[ . 1 . 2]" 1
379 1 21 GLU H 1 24 HIS HB3 . . 3.360 2.305 2.231 2.331 . 0 0 "[ . 1 . 2]" 1
380 1 21 GLU H 1 25 ILE H . . 4.500 3.892 3.832 3.930 . 0 0 "[ . 1 . 2]" 1
381 1 21 GLU H 1 45 LEU QD . . 4.640 3.493 3.446 3.539 . 0 0 "[ . 1 . 2]" 1
382 1 21 GLU HA 1 21 GLU HG2 . . 3.900 2.940 2.603 3.705 . 0 0 "[ . 1 . 2]" 1
383 1 21 GLU HA 1 21 GLU HG3 . . 3.710 3.659 2.656 3.843 0.133 4 0 "[ . 1 . 2]" 1
384 1 21 GLU HA 1 22 VAL H . . 2.530 2.673 2.662 2.702 0.172 14 0 "[ . 1 . 2]" 1
385 1 21 GLU HA 1 22 VAL QG . . 4.060 3.584 3.573 3.602 . 0 0 "[ . 1 . 2]" 1
386 1 21 GLU HA 1 23 ARG QG . . 5.100 5.089 5.054 5.167 0.067 17 0 "[ . 1 . 2]" 1
387 1 21 GLU HA 1 25 ILE MD . . 4.110 4.652 4.616 4.666 0.556 16 20 [*************-*+****] 1
388 1 21 GLU HA 1 45 LEU QD . . 2.750 2.250 2.182 2.305 . 0 0 "[ . 1 . 2]" 1
389 1 21 GLU HA 1 45 LEU HG . . 4.120 2.367 2.203 2.388 . 0 0 "[ . 1 . 2]" 1
390 1 21 GLU HB2 1 23 ARG QG . . 3.610 2.666 2.608 2.773 . 0 0 "[ . 1 . 2]" 1
391 1 21 GLU HB3 1 21 GLU HG2 . . 2.680 2.766 2.287 3.009 0.329 10 0 "[ . 1 . 2]" 1
392 1 21 GLU HB3 1 22 VAL H . . 2.680 2.114 2.061 2.150 . 0 0 "[ . 1 . 2]" 1
393 1 21 GLU HB3 1 22 VAL HB . . 3.950 4.270 4.241 4.309 0.359 5 0 "[ . 1 . 2]" 1
394 1 21 GLU HB3 1 23 ARG H . . 3.040 3.232 3.218 3.275 0.235 17 0 "[ . 1 . 2]" 1
395 1 21 GLU HB3 1 24 HIS H . . 3.790 4.223 4.164 4.273 0.483 14 0 "[ . 1 . 2]" 1
396 1 21 GLU HB3 1 45 LEU QD . . 5.500 3.827 3.754 3.890 . 0 0 "[ . 1 . 2]" 1
397 1 21 GLU HB3 1 45 LEU HG . . 4.210 3.822 3.765 3.870 . 0 0 "[ . 1 . 2]" 1
398 1 22 VAL H 1 22 VAL HA . . 2.850 2.868 2.867 2.870 0.020 14 0 "[ . 1 . 2]" 1
399 1 22 VAL H 1 22 VAL HB . . 2.550 2.484 2.470 2.500 . 0 0 "[ . 1 . 2]" 1
400 1 22 VAL H 1 22 VAL QG . . 2.430 2.220 2.197 2.243 . 0 0 "[ . 1 . 2]" 1
401 1 22 VAL H 1 23 ARG H . . 2.920 2.451 2.443 2.465 . 0 0 "[ . 1 . 2]" 1
402 1 22 VAL H 1 24 HIS H . . 3.970 3.756 3.712 3.776 . 0 0 "[ . 1 . 2]" 1
403 1 22 VAL H 1 25 ILE H . . 5.060 5.401 5.390 5.408 0.348 5 0 "[ . 1 . 2]" 1
404 1 22 VAL HA 1 22 VAL QG . . 3.270 2.131 2.108 2.152 . 0 0 "[ . 1 . 2]" 1
405 1 22 VAL HA 1 25 ILE HB . . 4.620 6.191 6.107 6.300 1.680 17 20 [*************-**+***] 1
406 1 22 VAL HA 1 25 ILE MD . . 3.810 2.152 2.084 2.232 . 0 0 "[ . 1 . 2]" 1
407 1 22 VAL HA 1 43 ILE MG . . 3.980 3.259 3.159 3.425 . 0 0 "[ . 1 . 2]" 1
408 1 22 VAL HA 1 45 LEU QD . . 4.310 3.177 3.050 3.282 . 0 0 "[ . 1 . 2]" 1
409 1 22 VAL HB 1 23 ARG H . . 2.680 2.827 2.738 2.862 0.182 1 0 "[ . 1 . 2]" 1
410 1 22 VAL HB 1 45 LEU HB2 . . 4.880 4.516 4.496 4.525 . 0 0 "[ . 1 . 2]" 1
411 1 22 VAL HB 1 45 LEU HG . . 5.250 4.311 4.265 4.381 . 0 0 "[ . 1 . 2]" 1
412 1 22 VAL QG 1 23 ARG HA . . 3.440 3.539 3.431 3.658 0.218 14 0 "[ . 1 . 2]" 1
413 1 22 VAL QG 1 23 ARG HB3 . . 4.950 4.083 4.011 4.190 . 0 0 "[ . 1 . 2]" 1
414 1 22 VAL QG 1 25 ILE QG . . 4.780 4.187 4.078 4.326 . 0 0 "[ . 1 . 2]" 1
415 1 22 VAL QG 1 43 ILE HB . . 3.400 3.045 2.915 3.131 . 0 0 "[ . 1 . 2]" 1
416 1 22 VAL QG 1 43 ILE MD . . 3.000 3.603 3.503 3.678 0.678 8 20 [*******+****-*******] 1
417 1 22 VAL QG 1 43 ILE HG12 . . 4.250 4.399 4.257 4.532 0.282 7 0 "[ . 1 . 2]" 1
418 1 22 VAL QG 1 43 ILE MG . . 2.550 2.413 2.023 2.693 0.143 7 0 "[ . 1 . 2]" 1
419 1 22 VAL QG 1 45 LEU HB2 . . 3.850 1.875 1.862 1.898 . 0 0 "[ . 1 . 2]" 1
420 1 22 VAL QG 1 45 LEU HB3 . . 3.430 2.314 2.225 2.441 . 0 0 "[ . 1 . 2]" 1
421 1 22 VAL QG 1 45 LEU QD . . 3.790 2.778 2.763 2.819 . 0 0 "[ . 1 . 2]" 1
422 1 23 ARG H 1 23 ARG HA . . 2.890 2.905 2.902 2.907 0.017 4 0 "[ . 1 . 2]" 1
423 1 23 ARG H 1 23 ARG HB3 . . 2.740 2.835 2.793 2.858 0.118 3 0 "[ . 1 . 2]" 1
424 1 23 ARG H 1 23 ARG HD2 . . 4.590 4.516 4.415 4.704 0.114 10 0 "[ . 1 . 2]" 1
425 1 23 ARG H 1 23 ARG QD . . 3.870 4.012 3.896 4.082 0.212 4 0 "[ . 1 . 2]" 1
426 1 23 ARG H 1 23 ARG HD3 . . 4.590 4.501 4.333 4.658 0.068 1 0 "[ . 1 . 2]" 1
427 1 23 ARG H 1 23 ARG QG . . 2.570 2.037 2.007 2.107 . 0 0 "[ . 1 . 2]" 1
428 1 23 ARG H 1 24 HIS H . . 2.920 2.411 2.397 2.440 . 0 0 "[ . 1 . 2]" 1
429 1 23 ARG H 1 25 ILE H . . 4.110 4.727 4.699 4.791 0.681 17 20 [*************-**+***] 1
430 1 23 ARG HA 1 23 ARG HD2 . . 5.500 5.058 4.546 5.502 0.002 6 0 "[ . 1 . 2]" 1
431 1 23 ARG HA 1 23 ARG QD . . 4.760 4.362 4.229 4.411 . 0 0 "[ . 1 . 2]" 1
432 1 23 ARG HA 1 23 ARG HD3 . . 5.500 4.946 4.584 5.500 0.000 12 0 "[ . 1 . 2]" 1
433 1 23 ARG HA 1 25 ILE H . . 4.030 4.807 4.798 4.817 0.787 14 20 [**********-**+******] 1
434 1 23 ARG HA 1 26 VAL H . . 3.940 3.542 3.531 3.559 . 0 0 "[ . 1 . 2]" 1
435 1 23 ARG HA 1 26 VAL HB . . 4.040 2.400 2.380 2.424 . 0 0 "[ . 1 . 2]" 1
436 1 23 ARG HA 1 26 VAL QG . . 3.920 3.117 3.086 3.162 . 0 0 "[ . 1 . 2]" 1
437 1 23 ARG HA 1 27 GLY H . . 4.080 3.110 3.024 3.171 . 0 0 "[ . 1 . 2]" 1
438 1 23 ARG HB3 1 23 ARG QD . . 3.310 2.708 2.468 3.011 . 0 0 "[ . 1 . 2]" 1
439 1 23 ARG QG 1 24 HIS H . . 2.690 2.961 2.932 2.984 0.294 7 0 "[ . 1 . 2]" 1
440 1 24 HIS H 1 24 HIS HB2 . . 2.770 2.356 2.323 2.396 . 0 0 "[ . 1 . 2]" 1
441 1 24 HIS H 1 24 HIS HB3 . . 2.960 2.850 2.803 2.892 . 0 0 "[ . 1 . 2]" 1
442 1 24 HIS H 1 25 ILE H . . 2.510 2.575 2.567 2.596 0.086 17 0 "[ . 1 . 2]" 1
443 1 24 HIS H 1 25 ILE QG . . 3.550 4.943 4.933 4.963 1.413 17 20 [-***************+***] 1
444 1 24 HIS H 1 27 GLY H . . 4.980 4.380 4.276 4.401 . 0 0 "[ . 1 . 2]" 1
445 1 24 HIS HA 1 25 ILE H . . 3.570 3.569 3.568 3.571 0.001 17 0 "[ . 1 . 2]" 1
446 1 24 HIS HA 1 26 VAL H . . 4.870 4.258 4.240 4.296 . 0 0 "[ . 1 . 2]" 1
447 1 24 HIS HA 1 27 GLY H . . 3.990 4.037 3.977 4.100 0.110 18 0 "[ . 1 . 2]" 1
448 1 24 HIS HB2 1 25 ILE MD . . 4.080 4.223 4.181 4.278 0.198 14 0 "[ . 1 . 2]" 1
449 1 24 HIS HB2 1 45 LEU QD . . 5.500 4.815 4.763 4.856 . 0 0 "[ . 1 . 2]" 1
450 1 24 HIS HB3 1 25 ILE H . . 3.210 2.231 2.201 2.247 . 0 0 "[ . 1 . 2]" 1
451 1 24 HIS HB3 1 25 ILE MD . . 4.090 3.505 3.459 3.532 . 0 0 "[ . 1 . 2]" 1
452 1 25 ILE H 1 25 ILE HB . . 2.900 3.610 3.609 3.613 0.713 18 20 [***-*************+**] 1
453 1 25 ILE H 1 25 ILE MD . . 2.610 1.817 1.813 1.821 . 0 0 "[ . 1 . 2]" 1
454 1 25 ILE H 1 25 ILE QG . . 2.680 3.225 3.220 3.229 0.549 16 20 [***************+-***] 1
455 1 25 ILE H 1 26 VAL H . . 2.770 2.519 2.505 2.527 . 0 0 "[ . 1 . 2]" 1
456 1 25 ILE H 1 27 GLY H . . 4.070 4.546 4.424 4.564 0.494 13 0 "[ . 1 . 2]" 1
457 1 25 ILE HA 1 25 ILE MD . . 3.600 3.571 3.568 3.576 . 0 0 "[ . 1 . 2]" 1
458 1 25 ILE HA 1 25 ILE MG . . 3.270 2.497 2.494 2.499 . 0 0 "[ . 1 . 2]" 1
459 1 25 ILE HA 1 28 ALA MB . . 3.930 2.651 2.553 2.774 . 0 0 "[ . 1 . 2]" 1
460 1 25 ILE HA 1 71 ILE MD . . 4.450 9.206 9.000 9.465 5.015 18 20 [******-**********+**] 1
461 1 25 ILE HB 1 25 ILE MD . . 3.620 3.222 3.222 3.223 . 0 0 "[ . 1 . 2]" 1
462 1 25 ILE HB 1 43 ILE HB . . 5.250 7.785 7.541 8.369 3.119 17 20 [***-************+***] 1
463 1 25 ILE HB 1 43 ILE MG . . 3.760 4.559 4.375 5.013 1.253 17 20 [***-************+***] 1
464 1 25 ILE MD 1 25 ILE MG . . 2.800 1.867 1.865 1.870 . 0 0 "[ . 1 . 2]" 1
465 1 25 ILE MD 1 45 LEU HB2 . . 4.560 3.942 3.925 3.959 . 0 0 "[ . 1 . 2]" 1
466 1 25 ILE MD 1 45 LEU QD . . 2.780 2.943 2.805 3.006 0.226 17 0 "[ . 1 . 2]" 1
467 1 25 ILE MD 1 45 LEU HG . . 4.300 4.290 4.262 4.313 0.013 4 0 "[ . 1 . 2]" 1
468 1 25 ILE MD 1 50 SER QB . . 4.490 3.476 3.383 4.082 . 0 0 "[ . 1 . 2]" 1
469 1 25 ILE QG 1 26 VAL H . . 3.840 2.610 2.597 2.622 . 0 0 "[ . 1 . 2]" 1
470 1 25 ILE QG 1 45 LEU QD . . 4.740 4.314 4.202 4.392 . 0 0 "[ . 1 . 2]" 1
471 1 25 ILE QG 1 50 SER QB . . 4.300 3.461 3.292 4.429 0.129 18 0 "[ . 1 . 2]" 1
472 1 25 ILE MG 1 26 VAL HA . . 4.210 5.371 5.368 5.373 1.163 6 20 [*****+*********-****] 1
473 1 25 ILE MG 1 26 VAL QG . . 3.590 4.248 4.232 4.266 0.676 10 20 [*********+******-***] 1
474 1 26 VAL H 1 26 VAL HB . . 2.740 2.402 2.392 2.414 . 0 0 "[ . 1 . 2]" 1
475 1 26 VAL H 1 26 VAL QG . . 2.400 2.419 2.374 2.458 0.058 10 0 "[ . 1 . 2]" 1
476 1 26 VAL H 1 27 GLY H . . 2.760 2.634 2.570 2.648 . 0 0 "[ . 1 . 2]" 1
477 1 26 VAL HA 1 28 ALA H . . 3.960 3.963 3.873 4.019 0.059 14 0 "[ . 1 . 2]" 1
478 1 26 VAL HA 1 29 ILE H . . 3.760 3.832 3.698 3.903 0.143 8 0 "[ . 1 . 2]" 1
479 1 26 VAL HA 1 29 ILE HB . . 5.280 5.418 4.975 5.503 0.223 10 0 "[ . 1 . 2]" 1
480 1 26 VAL HA 1 29 ILE MD . . 4.260 3.211 2.850 3.306 . 0 0 "[ . 1 . 2]" 1
481 1 26 VAL HA 1 30 ALA H . . 4.140 3.936 3.839 4.087 . 0 0 "[ . 1 . 2]" 1
482 1 26 VAL HA 1 40 ILE MD . . 3.970 2.567 2.447 2.691 . 0 0 "[ . 1 . 2]" 1
483 1 26 VAL HB 1 27 GLY H . . 2.790 2.297 2.277 2.385 . 0 0 "[ . 1 . 2]" 1
484 1 26 VAL QG 1 29 ILE MD . . 3.880 3.174 2.865 3.270 . 0 0 "[ . 1 . 2]" 1
485 1 26 VAL QG 1 30 ALA MB . . 3.290 2.533 2.433 2.641 . 0 0 "[ . 1 . 2]" 1
486 1 26 VAL QG 1 37 SER H . . 3.970 4.124 3.927 4.294 0.324 7 0 "[ . 1 . 2]" 1
487 1 26 VAL QG 1 37 SER HA . . 3.810 2.233 2.039 2.376 . 0 0 "[ . 1 . 2]" 1
488 1 26 VAL QG 1 37 SER HB2 . . 4.140 3.238 2.522 4.004 . 0 0 "[ . 1 . 2]" 1
489 1 26 VAL QG 1 37 SER QB . . 3.600 2.914 2.486 3.144 . 0 0 "[ . 1 . 2]" 1
490 1 26 VAL QG 1 37 SER HB3 . . 4.140 3.671 2.753 4.137 . 0 0 "[ . 1 . 2]" 1
491 1 26 VAL QG 1 40 ILE H . . 4.760 4.593 4.500 4.665 . 0 0 "[ . 1 . 2]" 1
492 1 26 VAL QG 1 40 ILE MD . . 2.670 1.825 1.778 1.859 . 0 0 "[ . 1 . 2]" 1
493 1 27 GLY H 1 27 GLY HA3 . . 2.400 2.294 2.293 2.295 . 0 0 "[ . 1 . 2]" 1
494 1 27 GLY H 1 28 ALA H . . 2.840 2.700 2.676 2.725 . 0 0 "[ . 1 . 2]" 1
495 1 27 GLY HA2 1 30 ALA MB . . 3.910 2.429 2.320 2.820 . 0 0 "[ . 1 . 2]" 1
496 1 27 GLY HA3 1 28 ALA H . . 3.130 3.058 3.051 3.061 . 0 0 "[ . 1 . 2]" 1
497 1 28 ALA H 1 28 ALA MB . . 2.400 2.216 2.146 2.264 . 0 0 "[ . 1 . 2]" 1
498 1 28 ALA H 1 29 ILE H . . 2.700 2.702 2.598 2.735 0.035 10 0 "[ . 1 . 2]" 1
499 1 28 ALA H 1 29 ILE MG . . 4.740 4.435 4.226 4.494 . 0 0 "[ . 1 . 2]" 1
500 1 28 ALA H 1 30 ALA H . . 3.620 3.593 3.456 3.629 0.009 3 0 "[ . 1 . 2]" 1
501 1 28 ALA HA 1 31 ASN H . . 3.960 3.676 3.303 3.760 . 0 0 "[ . 1 . 2]" 1
502 1 28 ALA HA 1 31 ASN QB . . 4.180 3.149 2.665 3.317 . 0 0 "[ . 1 . 2]" 1
503 1 28 ALA MB 1 29 ILE H . . 2.650 2.231 2.149 2.351 . 0 0 "[ . 1 . 2]" 1
504 1 28 ALA MB 1 29 ILE QG . . 3.980 3.726 3.635 3.813 . 0 0 "[ . 1 . 2]" 1
505 1 28 ALA MB 1 71 ILE MD . . 3.280 7.189 6.887 7.515 4.235 18 20 [*************-***+**] 1
506 1 28 ALA MB 1 71 ILE QG . . 4.380 6.893 6.612 7.315 2.935 18 20 [*************-***+**] 1
507 1 29 ILE H 1 29 ILE HA . . 2.890 2.837 2.801 2.856 . 0 0 "[ . 1 . 2]" 1
508 1 29 ILE H 1 29 ILE QG . . 2.760 2.034 1.966 2.081 . 0 0 "[ . 1 . 2]" 1
509 1 29 ILE H 1 29 ILE MG . . 3.170 2.350 2.162 2.449 . 0 0 "[ . 1 . 2]" 1
510 1 29 ILE H 1 30 ALA H . . 2.710 2.549 2.485 2.658 . 0 0 "[ . 1 . 2]" 1
511 1 29 ILE HA 1 29 ILE MD . . 3.780 3.675 3.636 3.722 . 0 0 "[ . 1 . 2]" 1
512 1 29 ILE HB 1 29 ILE MD . . 3.380 2.073 2.045 2.101 . 0 0 "[ . 1 . 2]" 1
513 1 29 ILE HB 1 30 ALA HA . . 4.590 4.544 4.506 4.611 0.021 19 0 "[ . 1 . 2]" 1
514 1 29 ILE HB 1 35 ILE MD . . 3.840 2.754 2.533 2.931 . 0 0 "[ . 1 . 2]" 1
515 1 29 ILE MD 1 29 ILE MG . . 3.230 3.122 3.090 3.150 . 0 0 "[ . 1 . 2]" 1
516 1 29 ILE MD 1 30 ALA H . . 2.870 2.650 2.518 2.882 0.012 20 0 "[ . 1 . 2]" 1
517 1 29 ILE MD 1 30 ALA HA . . 4.500 2.694 2.574 2.922 . 0 0 "[ . 1 . 2]" 1
518 1 29 ILE MD 1 30 ALA MB . . 4.220 2.360 2.224 2.493 . 0 0 "[ . 1 . 2]" 1
519 1 29 ILE MD 1 35 ILE MD . . 2.410 2.077 1.960 2.296 . 0 0 "[ . 1 . 2]" 1
520 1 29 ILE MD 1 35 ILE QG . . 3.640 3.507 3.432 3.588 . 0 0 "[ . 1 . 2]" 1
521 1 29 ILE MD 1 35 ILE MG . . 3.920 1.926 1.831 2.008 . 0 0 "[ . 1 . 2]" 1
522 1 29 ILE MD 1 37 SER HA . . 4.680 4.500 4.379 4.624 . 0 0 "[ . 1 . 2]" 1
523 1 29 ILE MD 1 40 ILE MD . . 2.780 1.999 1.884 2.165 . 0 0 "[ . 1 . 2]" 1
524 1 29 ILE MD 1 54 LEU QD . . 4.170 2.066 1.896 2.247 . 0 0 "[ . 1 . 2]" 1
525 1 29 ILE QG 1 30 ALA H . . 4.310 2.164 2.015 2.428 . 0 0 "[ . 1 . 2]" 1
526 1 29 ILE QG 1 30 ALA MB . . 4.220 3.247 3.168 3.385 . 0 0 "[ . 1 . 2]" 1
527 1 29 ILE QG 1 35 ILE QG . . 4.110 5.514 5.400 5.609 1.499 9 20 [********+********-**] 1
528 1 29 ILE QG 1 40 ILE MD . . 3.310 3.080 2.924 3.184 . 0 0 "[ . 1 . 2]" 1
529 1 29 ILE QG 1 54 LEU QD . . 3.930 2.728 2.623 2.845 . 0 0 "[ . 1 . 2]" 1
530 1 29 ILE MG 1 30 ALA H . . 4.270 3.981 3.934 4.064 . 0 0 "[ . 1 . 2]" 1
531 1 29 ILE MG 1 35 ILE MD . . 3.580 3.898 3.690 4.036 0.456 13 0 "[ . 1 . 2]" 1
532 1 29 ILE MG 1 40 ILE HG12 . . 4.870 5.279 5.159 5.360 0.490 20 0 "[ . 1 . 2]" 1
533 1 29 ILE MG 1 54 LEU QD . . 4.020 2.736 2.529 2.892 . 0 0 "[ . 1 . 2]" 1
534 1 29 ILE MG 1 69 THR MG . . 4.820 9.399 8.941 9.833 5.013 3 20 [**+**********-******] 1
535 1 30 ALA H 1 30 ALA HA . . 2.910 2.863 2.839 2.923 0.013 17 0 "[ . 1 . 2]" 1
536 1 30 ALA H 1 30 ALA MB . . 2.400 2.258 2.235 2.336 . 0 0 "[ . 1 . 2]" 1
537 1 30 ALA H 1 31 ASN H . . 2.760 2.457 2.201 2.540 . 0 0 "[ . 1 . 2]" 1
538 1 30 ALA H 1 31 ASN QB . . 4.870 4.292 3.999 4.422 . 0 0 "[ . 1 . 2]" 1
539 1 30 ALA H 1 32 GLU H . . 4.200 3.846 3.695 3.891 . 0 0 "[ . 1 . 2]" 1
540 1 30 ALA HA 1 31 ASN HA . . 4.780 4.618 4.596 4.638 . 0 0 "[ . 1 . 2]" 1
541 1 30 ALA HA 1 36 SER HA . . 4.150 3.806 3.474 4.055 . 0 0 "[ . 1 . 2]" 1
542 1 30 ALA MB 1 31 ASN H . . 3.050 2.886 2.697 3.041 . 0 0 "[ . 1 . 2]" 1
543 1 30 ALA MB 1 37 SER H . . 4.250 3.205 2.924 3.428 . 0 0 "[ . 1 . 2]" 1
544 1 30 ALA MB 1 40 ILE MD . . 4.200 2.238 2.126 2.436 . 0 0 "[ . 1 . 2]" 1
545 1 31 ASN H 1 31 ASN HB2 . . 3.010 2.693 2.345 2.912 . 0 0 "[ . 1 . 2]" 1
546 1 31 ASN H 1 31 ASN QB . . 2.540 2.350 2.316 2.375 . 0 0 "[ . 1 . 2]" 1
547 1 31 ASN H 1 31 ASN HB3 . . 3.010 2.684 2.474 3.599 0.589 18 2 "[ . 1 .- + 2]" 1
548 1 31 ASN H 1 32 GLU QB . . 4.560 4.049 3.960 4.221 . 0 0 "[ . 1 . 2]" 1
549 1 31 ASN H 1 32 GLU QG . . 4.440 4.115 3.496 4.219 . 0 0 "[ . 1 . 2]" 1
550 1 31 ASN HA 1 32 GLU HA . . 5.380 4.772 4.621 4.813 . 0 0 "[ . 1 . 2]" 1
551 1 31 ASN QB 1 32 GLU H . . 3.480 2.951 2.842 3.480 0.000 13 0 "[ . 1 . 2]" 1
552 1 32 GLU H 1 32 GLU HA . . 2.920 2.839 2.814 2.918 . 0 0 "[ . 1 . 2]" 1
553 1 32 GLU H 1 32 GLU QB . . 2.630 2.257 2.198 2.653 0.023 17 0 "[ . 1 . 2]" 1
554 1 32 GLU H 1 32 GLU QG . . 2.870 2.650 1.932 3.162 0.292 13 0 "[ . 1 . 2]" 1
555 1 32 GLU HA 1 32 GLU HG2 . . 4.240 2.917 2.362 4.202 . 0 0 "[ . 1 . 2]" 1
556 1 32 GLU HA 1 32 GLU QG . . 3.610 2.765 2.261 3.412 . 0 0 "[ . 1 . 2]" 1
557 1 32 GLU HA 1 32 GLU HG3 . . 4.240 3.616 2.886 3.718 . 0 0 "[ . 1 . 2]" 1
558 1 32 GLU QB 1 33 GLY H . . 3.940 2.723 2.503 3.412 . 0 0 "[ . 1 . 2]" 1
559 1 33 GLY H 1 34 ASP H . . 3.540 4.034 3.765 4.159 0.619 1 12 "[+* ** ** **- ** * 2]" 1
560 1 34 ASP H 1 34 ASP HB2 . . 4.200 2.395 2.213 3.625 . 0 0 "[ . 1 . 2]" 1
561 1 34 ASP H 1 34 ASP QB . . 3.360 2.292 2.190 2.886 . 0 0 "[ . 1 . 2]" 1
562 1 34 ASP H 1 34 ASP HB3 . . 4.200 3.244 2.799 3.553 . 0 0 "[ . 1 . 2]" 1
563 1 34 ASP H 1 35 ILE QG . . 4.580 3.397 3.235 3.484 . 0 0 "[ . 1 . 2]" 1
564 1 34 ASP QB 1 35 ILE H . . 3.110 3.194 3.144 3.494 0.384 13 0 "[ . 1 . 2]" 1
565 1 34 ASP HB2 1 35 ILE H . . 3.660 3.623 3.376 4.003 0.343 18 0 "[ . 1 . 2]" 1
566 1 34 ASP HB3 1 35 ILE H . . 3.660 3.676 3.291 4.151 0.491 13 0 "[ . 1 . 2]" 1
567 1 35 ILE H 1 35 ILE QG . . 3.010 1.975 1.919 2.045 . 0 0 "[ . 1 . 2]" 1
568 1 35 ILE H 1 35 ILE MG . . 3.230 3.766 3.765 3.767 0.537 16 20 [***************+*-**] 1
569 1 35 ILE HA 1 35 ILE MD . . 4.660 3.882 3.866 3.888 . 0 0 "[ . 1 . 2]" 1
570 1 35 ILE HA 1 35 ILE QG . . 4.020 2.453 2.435 2.463 . 0 0 "[ . 1 . 2]" 1
571 1 35 ILE HA 1 35 ILE MG . . 3.400 2.325 2.295 2.353 . 0 0 "[ . 1 . 2]" 1
572 1 35 ILE HA 1 36 SER H . . 2.550 2.224 2.200 2.248 . 0 0 "[ . 1 . 2]" 1
573 1 35 ILE HB 1 36 SER H . . 3.230 3.952 3.866 4.020 0.790 20 20 [************-******+] 1
574 1 35 ILE HB 1 40 ILE HG13 . . 4.630 4.570 4.499 4.744 0.114 17 0 "[ . 1 . 2]" 1
575 1 35 ILE HB 1 54 LEU QD . . 4.490 4.015 3.870 4.273 . 0 0 "[ . 1 . 2]" 1
576 1 35 ILE MD 1 35 ILE MG . . 2.400 2.195 2.094 2.406 0.006 13 0 "[ . 1 . 2]" 1
577 1 35 ILE MD 1 52 ILE MD . . 3.960 4.640 4.358 4.839 0.879 17 17 "[*** ** *******-*+ **]" 1
578 1 35 ILE MD 1 54 LEU MD1 . . 4.130 2.870 2.582 3.076 . 0 0 "[ . 1 . 2]" 1
579 1 35 ILE MD 1 54 LEU QD . . 2.990 1.860 1.803 2.040 . 0 0 "[ . 1 . 2]" 1
580 1 35 ILE MD 1 54 LEU MD2 . . 4.130 1.889 1.815 2.137 . 0 0 "[ . 1 . 2]" 1
581 1 35 ILE MD 1 55 PRO HD2 . . 5.090 3.570 3.227 3.908 . 0 0 "[ . 1 . 2]" 1
582 1 35 ILE QG 1 36 SER H . . 4.410 3.999 3.986 4.031 . 0 0 "[ . 1 . 2]" 1
583 1 35 ILE QG 1 40 ILE HG13 . . 4.820 4.556 4.496 4.597 . 0 0 "[ . 1 . 2]" 1
584 1 35 ILE MG 1 36 SER H . . 3.800 2.150 2.016 2.288 . 0 0 "[ . 1 . 2]" 1
585 1 35 ILE MG 1 39 TYR HB2 . . 4.150 3.380 3.154 3.702 . 0 0 "[ . 1 . 2]" 1
586 1 35 ILE MG 1 40 ILE H . . 4.770 3.222 3.095 3.403 . 0 0 "[ . 1 . 2]" 1
587 1 35 ILE MG 1 54 LEU QB . . 4.660 4.450 4.244 4.774 0.114 7 0 "[ . 1 . 2]" 1
588 1 35 ILE MG 1 54 LEU QD . . 4.040 2.680 2.537 2.876 . 0 0 "[ . 1 . 2]" 1
589 1 36 SER H 1 36 SER HB2 . . 3.290 2.687 2.638 2.733 . 0 0 "[ . 1 . 2]" 1
590 1 36 SER H 1 36 SER HB3 . . 3.290 2.936 2.871 3.016 . 0 0 "[ . 1 . 2]" 1
591 1 36 SER H 1 37 SER H . . 4.410 4.493 4.470 4.507 0.097 18 0 "[ . 1 . 2]" 1
592 1 36 SER H 1 38 ARG H . . 4.310 4.607 4.506 4.676 0.366 12 0 "[ . 1 . 2]" 1
593 1 36 SER H 1 38 ARG QG . . 4.500 4.646 4.571 4.734 0.234 17 0 "[ . 1 . 2]" 1
594 1 36 SER H 1 39 TYR H . . 3.260 3.392 3.314 3.463 0.203 18 0 "[ . 1 . 2]" 1
595 1 36 SER H 1 39 TYR HB2 . . 3.710 2.111 1.951 2.309 . 0 0 "[ . 1 . 2]" 1
596 1 36 SER H 1 39 TYR HB3 . . 3.970 2.391 2.174 2.467 . 0 0 "[ . 1 . 2]" 1
597 1 36 SER H 1 40 ILE H . . 3.630 3.800 3.691 3.847 0.217 9 0 "[ . 1 . 2]" 1
598 1 36 SER H 1 40 ILE MD . . 4.080 4.160 4.069 4.250 0.170 16 0 "[ . 1 . 2]" 1
599 1 36 SER HA 1 37 SER H . . 2.720 2.442 2.347 2.484 . 0 0 "[ . 1 . 2]" 1
600 1 36 SER HA 1 37 SER QB . . 4.850 4.321 4.201 4.595 . 0 0 "[ . 1 . 2]" 1
601 1 36 SER HA 1 38 ARG H . . 4.370 4.125 4.021 4.146 . 0 0 "[ . 1 . 2]" 1
602 1 36 SER QB 1 37 SER QB . . 4.430 4.401 4.307 4.539 0.109 18 0 "[ . 1 . 2]" 1
603 1 36 SER QB 1 38 ARG HA . . 4.970 4.838 4.801 4.876 . 0 0 "[ . 1 . 2]" 1
604 1 36 SER QB 1 39 TYR H . . 3.570 2.077 1.951 2.117 . 0 0 "[ . 1 . 2]" 1
605 1 37 SER H 1 37 SER QB . . 2.990 2.241 2.157 2.330 . 0 0 "[ . 1 . 2]" 1
606 1 37 SER H 1 38 ARG H . . 3.450 2.591 2.550 2.663 . 0 0 "[ . 1 . 2]" 1
607 1 37 SER H 1 39 TYR H . . 4.290 4.057 3.989 4.149 . 0 0 "[ . 1 . 2]" 1
608 1 37 SER HA 1 40 ILE HB . . 5.270 3.898 3.785 4.021 . 0 0 "[ . 1 . 2]" 1
609 1 37 SER HA 1 40 ILE MD . . 3.610 1.961 1.910 2.043 . 0 0 "[ . 1 . 2]" 1
610 1 37 SER HA 1 40 ILE HG13 . . 4.520 4.078 3.931 4.252 . 0 0 "[ . 1 . 2]" 1
611 1 37 SER QB 1 38 ARG H . . 3.360 2.955 2.921 3.016 . 0 0 "[ . 1 . 2]" 1
612 1 38 ARG H 1 38 ARG HB3 . . 2.810 2.880 2.714 2.951 0.141 1 0 "[ . 1 . 2]" 1
613 1 38 ARG H 1 38 ARG HG2 . . 3.750 2.115 1.960 3.157 . 0 0 "[ . 1 . 2]" 1
614 1 38 ARG H 1 38 ARG QG . . 2.970 1.999 1.925 2.097 . 0 0 "[ . 1 . 2]" 1
615 1 38 ARG H 1 38 ARG HG3 . . 3.750 2.768 1.948 3.296 . 0 0 "[ . 1 . 2]" 1
616 1 38 ARG H 1 39 TYR HB2 . . 4.590 4.008 3.964 4.048 . 0 0 "[ . 1 . 2]" 1
617 1 38 ARG H 1 40 ILE H . . 4.330 3.932 3.836 4.030 . 0 0 "[ . 1 . 2]" 1
618 1 38 ARG HA 1 38 ARG QG . . 3.700 3.341 3.335 3.396 . 0 0 "[ . 1 . 2]" 1
619 1 38 ARG QD 1 39 TYR HB2 . . 5.340 4.970 3.152 5.320 . 0 0 "[ . 1 . 2]" 1
620 1 38 ARG HG2 1 39 TYR H . . 3.710 2.962 2.439 3.654 . 0 0 "[ . 1 . 2]" 1
621 1 38 ARG HG3 1 39 TYR H . . 3.710 2.237 1.942 2.630 . 0 0 "[ . 1 . 2]" 1
622 1 39 TYR H 1 39 TYR HB2 . . 2.650 2.087 2.071 2.105 . 0 0 "[ . 1 . 2]" 1
623 1 39 TYR H 1 39 TYR HB3 . . 3.240 3.148 3.098 3.208 . 0 0 "[ . 1 . 2]" 1
624 1 39 TYR H 1 40 ILE H . . 2.530 2.692 2.608 2.763 0.233 18 0 "[ . 1 . 2]" 1
625 1 39 TYR HB2 1 40 ILE H . . 3.500 3.386 3.315 3.502 0.002 13 0 "[ . 1 . 2]" 1
626 1 39 TYR HB3 1 40 ILE H . . 3.620 2.883 2.776 2.969 . 0 0 "[ . 1 . 2]" 1
627 1 40 ILE H 1 40 ILE HA . . 2.850 2.781 2.757 2.810 . 0 0 "[ . 1 . 2]" 1
628 1 40 ILE H 1 40 ILE MD . . 2.980 2.907 2.741 3.002 0.022 17 0 "[ . 1 . 2]" 1
629 1 40 ILE H 1 40 ILE HG13 . . 2.440 2.129 2.085 2.200 . 0 0 "[ . 1 . 2]" 1
630 1 40 ILE H 1 40 ILE MG . . 3.840 3.764 3.763 3.767 . 0 0 "[ . 1 . 2]" 1
631 1 40 ILE H 1 41 GLY H . . 4.640 4.629 4.626 4.631 . 0 0 "[ . 1 . 2]" 1
632 1 40 ILE H 1 54 LEU QD . . 4.270 4.991 4.752 5.521 1.251 18 19 [****.-***********+**] 1
633 1 40 ILE HA 1 40 ILE MD . . 3.930 3.856 3.837 3.871 . 0 0 "[ . 1 . 2]" 1
634 1 40 ILE HA 1 40 ILE MG . . 3.530 2.392 2.380 2.398 . 0 0 "[ . 1 . 2]" 1
635 1 40 ILE HA 1 41 GLY H . . 2.410 2.233 2.227 2.237 . 0 0 "[ . 1 . 2]" 1
636 1 40 ILE HA 1 53 GLU H . . 5.010 4.879 4.782 4.961 . 0 0 "[ . 1 . 2]" 1
637 1 40 ILE HA 1 54 LEU HA . . 4.570 3.348 3.218 3.722 . 0 0 "[ . 1 . 2]" 1
638 1 40 ILE HA 1 55 PRO HD2 . . 4.080 3.614 3.311 3.864 . 0 0 "[ . 1 . 2]" 1
639 1 40 ILE HB 1 40 ILE MD . . 3.460 2.149 2.074 2.224 . 0 0 "[ . 1 . 2]" 1
640 1 40 ILE HB 1 54 LEU QD . . 4.950 4.570 4.344 5.142 0.192 18 0 "[ . 1 . 2]" 1
641 1 40 ILE MD 1 40 ILE MG . . 2.700 2.495 2.388 2.590 . 0 0 "[ . 1 . 2]" 1
642 1 40 ILE MD 1 52 ILE MD . . 3.960 2.660 2.406 3.036 . 0 0 "[ . 1 . 2]" 1
643 1 40 ILE HG12 1 54 LEU QD . . 4.070 2.359 2.137 2.859 . 0 0 "[ . 1 . 2]" 1
644 1 40 ILE MG 1 41 GLY H . . 2.680 2.243 2.230 2.264 . 0 0 "[ . 1 . 2]" 1
645 1 40 ILE MG 1 42 ASN H . . 3.980 4.042 4.006 4.104 0.124 7 0 "[ . 1 . 2]" 1
646 1 40 ILE MG 1 52 ILE MD . . 3.800 2.065 1.920 2.192 . 0 0 "[ . 1 . 2]" 1
647 1 40 ILE MG 1 52 ILE MG . . 3.770 4.139 4.108 4.188 0.418 15 0 "[ . 1 . 2]" 1
648 1 40 ILE MG 1 54 LEU MD1 . . 4.910 2.524 2.262 3.054 . 0 0 "[ . 1 . 2]" 1
649 1 40 ILE MG 1 54 LEU QD . . 3.740 2.515 2.257 3.035 . 0 0 "[ . 1 . 2]" 1
650 1 40 ILE MG 1 54 LEU MD2 . . 4.910 4.838 4.608 5.350 0.440 11 0 "[ . 1 . 2]" 1
651 1 41 GLY H 1 41 GLY HA3 . . 2.670 2.306 2.303 2.312 . 0 0 "[ . 1 . 2]" 1
652 1 41 GLY H 1 42 ASN H . . 3.390 3.825 3.804 3.841 0.451 4 0 "[ . 1 . 2]" 1
653 1 41 GLY H 1 53 GLU H . . 3.580 3.321 3.222 3.428 . 0 0 "[ . 1 . 2]" 1
654 1 41 GLY H 1 53 GLU HA . . 4.790 4.670 4.606 4.746 . 0 0 "[ . 1 . 2]" 1
655 1 41 GLY H 1 53 GLU QB . . 2.850 2.763 2.514 2.828 . 0 0 "[ . 1 . 2]" 1
656 1 41 GLY H 1 54 LEU HA . . 4.260 3.672 3.506 4.108 . 0 0 "[ . 1 . 2]" 1
657 1 41 GLY H 1 54 LEU QD . . 4.050 3.951 3.689 4.507 0.457 18 0 "[ . 1 . 2]" 1
658 1 41 GLY HA2 1 42 ASN HA . . 4.550 4.440 4.437 4.443 . 0 0 "[ . 1 . 2]" 1
659 1 41 GLY HA2 1 53 GLU QB . . 3.890 3.677 3.581 3.730 . 0 0 "[ . 1 . 2]" 1
660 1 41 GLY HA3 1 42 ASN H . . 2.570 2.137 2.136 2.137 . 0 0 "[ . 1 . 2]" 1
661 1 41 GLY HA3 1 53 GLU H . . 4.420 3.860 3.796 3.949 . 0 0 "[ . 1 . 2]" 1
662 1 41 GLY HA3 1 53 GLU QB . . 3.720 2.005 1.979 2.055 . 0 0 "[ . 1 . 2]" 1
663 1 41 GLY HA3 1 53 GLU QG . . 4.410 3.306 3.109 3.573 . 0 0 "[ . 1 . 2]" 1
664 1 42 ASN H 1 42 ASN QB . . 2.500 2.399 2.250 2.472 . 0 0 "[ . 1 . 2]" 1
665 1 42 ASN H 1 53 GLU H . . 3.440 3.532 3.433 3.599 0.159 15 0 "[ . 1 . 2]" 1
666 1 42 ASN H 1 53 GLU HA . . 4.750 5.061 4.983 5.120 0.370 18 0 "[ . 1 . 2]" 1
667 1 42 ASN H 1 53 GLU QB . . 2.680 2.353 2.229 2.511 . 0 0 "[ . 1 . 2]" 1
668 1 42 ASN HA 1 43 ILE H . . 2.550 2.150 2.142 2.156 . 0 0 "[ . 1 . 2]" 1
669 1 42 ASN HA 1 43 ILE MD . . 4.410 3.461 3.355 3.546 . 0 0 "[ . 1 . 2]" 1
670 1 42 ASN QB 1 43 ILE H . . 2.900 3.213 3.168 3.307 0.407 12 0 "[ . 1 . 2]" 1
671 1 42 ASN QB 1 53 GLU QB . . 3.860 3.619 3.456 3.738 . 0 0 "[ . 1 . 2]" 1
672 1 43 ILE H 1 43 ILE MD . . 2.690 2.662 2.498 2.699 0.009 17 0 "[ . 1 . 2]" 1
673 1 43 ILE H 1 43 ILE HG13 . . 3.060 3.014 2.969 3.074 0.014 8 0 "[ . 1 . 2]" 1
674 1 43 ILE HA 1 43 ILE MD . . 3.760 3.712 3.655 3.739 . 0 0 "[ . 1 . 2]" 1
675 1 43 ILE HA 1 43 ILE HG13 . . 4.190 2.498 2.473 2.524 . 0 0 "[ . 1 . 2]" 1
676 1 43 ILE HA 1 43 ILE MG . . 3.220 2.343 2.281 2.375 . 0 0 "[ . 1 . 2]" 1
677 1 43 ILE HA 1 44 LYS H . . 2.400 2.161 2.145 2.197 . 0 0 "[ . 1 . 2]" 1
678 1 43 ILE HA 1 52 ILE MG . . 4.300 4.598 4.577 4.616 0.316 18 0 "[ . 1 . 2]" 1
679 1 43 ILE HB 1 43 ILE MD . . 3.460 2.044 2.017 2.077 . 0 0 "[ . 1 . 2]" 1
680 1 43 ILE HB 1 44 LYS H . . 3.900 4.043 3.914 4.114 0.214 15 0 "[ . 1 . 2]" 1
681 1 43 ILE MD 1 43 ILE MG . . 3.280 2.997 2.956 3.046 . 0 0 "[ . 1 . 2]" 1
682 1 43 ILE MD 1 44 LYS HA . . 5.070 5.933 5.885 5.971 0.901 4 20 [***+*************-**] 1
683 1 43 ILE MG 1 52 ILE HA . . 4.110 3.264 3.085 3.480 . 0 0 "[ . 1 . 2]" 1
684 1 43 ILE MG 1 52 ILE HB . . 4.160 2.367 2.174 2.602 . 0 0 "[ . 1 . 2]" 1
685 1 43 ILE MG 1 52 ILE MD . . 4.060 2.610 2.326 2.883 . 0 0 "[ . 1 . 2]" 1
686 1 43 ILE MG 1 52 ILE MG . . 2.910 3.764 3.647 3.897 0.987 17 20 [******-*********+***] 1
687 1 44 LYS H 1 44 LYS HB2 . . 3.260 2.843 2.706 3.138 . 0 0 "[ . 1 . 2]" 1
688 1 44 LYS H 1 44 LYS HB3 . . 2.910 2.746 2.603 2.837 . 0 0 "[ . 1 . 2]" 1
689 1 44 LYS H 1 44 LYS QE . . 5.500 5.364 4.599 6.259 0.759 12 7 "[ .* * 1 + ** * -]" 1
690 1 44 LYS H 1 50 SER QB . . 5.010 4.281 4.126 4.722 . 0 0 "[ . 1 . 2]" 1
691 1 44 LYS H 1 51 THR H . . 3.370 2.339 2.197 2.524 . 0 0 "[ . 1 . 2]" 1
692 1 44 LYS H 1 51 THR HA . . 5.080 4.176 4.095 4.288 . 0 0 "[ . 1 . 2]" 1
693 1 44 LYS H 1 52 ILE H . . 5.140 4.505 4.420 4.639 . 0 0 "[ . 1 . 2]" 1
694 1 44 LYS HA 1 44 LYS QD . . 4.780 4.065 3.928 4.205 . 0 0 "[ . 1 . 2]" 1
695 1 44 LYS HA 1 44 LYS QG . . 3.900 2.387 2.295 2.512 . 0 0 "[ . 1 . 2]" 1
696 1 44 LYS HA 1 45 LEU H . . 2.400 2.301 2.227 2.331 . 0 0 "[ . 1 . 2]" 1
697 1 44 LYS HA 1 45 LEU HA . . 4.460 4.461 4.414 4.476 0.016 4 0 "[ . 1 . 2]" 1
698 1 44 LYS HB2 1 51 THR H . . 3.960 3.342 3.184 3.615 . 0 0 "[ . 1 . 2]" 1
699 1 44 LYS HB2 1 51 THR MG . . 5.380 2.833 2.590 3.220 . 0 0 "[ . 1 . 2]" 1
700 1 44 LYS HB3 1 45 LEU HA . . 4.790 4.418 4.310 4.712 . 0 0 "[ . 1 . 2]" 1
701 1 44 LYS HB3 1 51 THR H . . 3.450 1.980 1.941 2.173 . 0 0 "[ . 1 . 2]" 1
702 1 44 LYS QE 1 45 LEU H . . 3.460 4.477 3.500 5.095 1.635 1 15 "[+* ** ** * ***-*** *]" 1
703 1 44 LYS QG 1 45 LEU H . . 2.970 2.049 1.936 2.271 . 0 0 "[ . 1 . 2]" 1
704 1 44 LYS QG 1 46 PHE HA . . 5.250 4.320 4.109 4.479 . 0 0 "[ . 1 . 2]" 1
705 1 44 LYS QG 1 51 THR H . . 4.180 3.886 3.488 4.039 . 0 0 "[ . 1 . 2]" 1
706 1 44 LYS QG 1 51 THR MG . . 3.790 3.641 3.548 3.663 . 0 0 "[ . 1 . 2]" 1
707 1 45 LEU H 1 45 LEU HB2 . . 3.000 3.106 2.939 3.138 0.138 2 0 "[ . 1 . 2]" 1
708 1 45 LEU H 1 45 LEU HB3 . . 3.230 2.908 2.789 2.938 . 0 0 "[ . 1 . 2]" 1
709 1 45 LEU H 1 46 PHE H . . 4.100 3.679 3.644 3.882 . 0 0 "[ . 1 . 2]" 1
710 1 45 LEU H 1 50 SER HA . . 4.760 4.253 4.182 4.521 . 0 0 "[ . 1 . 2]" 1
711 1 45 LEU H 1 50 SER QB . . 4.670 4.692 4.672 4.743 0.073 14 0 "[ . 1 . 2]" 1
712 1 45 LEU H 1 51 THR H . . 5.040 4.589 4.515 4.744 . 0 0 "[ . 1 . 2]" 1
713 1 45 LEU HA 1 45 LEU QD . . 3.470 1.988 1.928 2.001 . 0 0 "[ . 1 . 2]" 1
714 1 45 LEU HA 1 46 PHE H . . 2.400 2.234 2.213 2.240 . 0 0 "[ . 1 . 2]" 1
715 1 45 LEU HA 1 50 SER HA . . 3.660 2.762 2.636 2.994 . 0 0 "[ . 1 . 2]" 1
716 1 45 LEU HA 1 50 SER QB . . 4.110 2.295 2.250 2.476 . 0 0 "[ . 1 . 2]" 1
717 1 45 LEU HA 1 51 THR H . . 4.060 4.186 4.067 4.337 0.277 7 0 "[ . 1 . 2]" 1
718 1 45 LEU HB3 1 46 PHE HA . . 5.500 4.801 4.770 4.814 . 0 0 "[ . 1 . 2]" 1
719 1 45 LEU QD 1 46 PHE H . . 3.350 2.888 2.851 2.902 . 0 0 "[ . 1 . 2]" 1
720 1 45 LEU QD 1 46 PHE HB2 . . 4.740 4.474 4.423 4.513 . 0 0 "[ . 1 . 2]" 1
721 1 45 LEU QD 1 47 ALA H . . 4.810 4.612 4.595 4.647 . 0 0 "[ . 1 . 2]" 1
722 1 45 LEU QD 1 49 HIS H . . 4.760 4.007 3.938 4.267 . 0 0 "[ . 1 . 2]" 1
723 1 45 LEU QD 1 50 SER QB . . 4.080 2.122 1.986 2.402 . 0 0 "[ . 1 . 2]" 1
724 1 46 PHE H 1 46 PHE HB2 . . 2.920 2.258 2.208 2.304 . 0 0 "[ . 1 . 2]" 1
725 1 46 PHE H 1 46 PHE HB3 . . 3.560 3.101 3.014 3.209 . 0 0 "[ . 1 . 2]" 1
726 1 46 PHE H 1 49 HIS H . . 3.940 3.359 3.268 3.613 . 0 0 "[ . 1 . 2]" 1
727 1 46 PHE H 1 49 HIS QB . . 4.650 3.713 3.610 4.028 . 0 0 "[ . 1 . 2]" 1
728 1 46 PHE H 1 50 SER H . . 4.580 4.517 4.478 4.594 0.014 7 0 "[ . 1 . 2]" 1
729 1 46 PHE H 1 50 SER HA . . 2.880 2.941 2.679 3.026 0.146 11 0 "[ . 1 . 2]" 1
730 1 46 PHE H 1 50 SER QB . . 3.290 3.439 3.177 3.583 0.293 14 0 "[ . 1 . 2]" 1
731 1 46 PHE H 1 51 THR H . . 4.690 4.808 4.507 5.069 0.379 18 0 "[ . 1 . 2]" 1
732 1 46 PHE HA 1 47 ALA H . . 2.800 2.747 2.737 2.753 . 0 0 "[ . 1 . 2]" 1
733 1 46 PHE HB2 1 47 ALA H . . 3.700 3.575 3.556 3.591 . 0 0 "[ . 1 . 2]" 1
734 1 46 PHE HB2 1 47 ALA MB . . 4.950 5.113 5.037 5.158 0.208 14 0 "[ . 1 . 2]" 1
735 1 46 PHE HB3 1 47 ALA H . . 2.730 2.182 2.071 2.291 . 0 0 "[ . 1 . 2]" 1
736 1 46 PHE HB3 1 48 SER H . . 3.740 2.545 2.364 2.709 . 0 0 "[ . 1 . 2]" 1
737 1 46 PHE HB3 1 49 HIS H . . 3.360 2.631 2.314 2.782 . 0 0 "[ . 1 . 2]" 1
738 1 47 ALA H 1 47 ALA MB . . 2.520 2.126 2.040 2.237 . 0 0 "[ . 1 . 2]" 1
739 1 47 ALA H 1 48 SER H . . 3.230 2.614 2.532 2.732 . 0 0 "[ . 1 . 2]" 1
740 1 47 ALA H 1 49 HIS H . . 3.820 3.825 3.527 3.872 0.052 9 0 "[ . 1 . 2]" 1
741 1 47 ALA MB 1 48 SER H . . 2.500 2.592 2.429 2.797 0.297 2 0 "[ . 1 . 2]" 1
742 1 47 ALA MB 1 48 SER HA . . 4.030 4.143 4.058 4.245 0.215 11 0 "[ . 1 . 2]" 1
743 1 47 ALA MB 1 48 SER HB2 . . 5.020 3.603 3.209 4.108 . 0 0 "[ . 1 . 2]" 1
744 1 47 ALA MB 1 48 SER QB . . 4.220 3.463 3.094 3.893 . 0 0 "[ . 1 . 2]" 1
745 1 47 ALA MB 1 48 SER HB3 . . 5.020 4.543 3.790 4.870 . 0 0 "[ . 1 . 2]" 1
746 1 48 SER H 1 48 SER QB . . 2.780 2.691 2.514 2.898 0.118 11 0 "[ . 1 . 2]" 1
747 1 48 SER H 1 49 HIS H . . 2.650 2.348 2.209 2.435 . 0 0 "[ . 1 . 2]" 1
748 1 48 SER H 1 49 HIS QB . . 4.250 3.567 3.470 3.800 . 0 0 "[ . 1 . 2]" 1
749 1 48 SER HA 1 49 HIS H . . 3.130 2.897 2.869 3.029 . 0 0 "[ . 1 . 2]" 1
750 1 49 HIS H 1 49 HIS QB . . 3.290 2.789 2.770 2.831 . 0 0 "[ . 1 . 2]" 1
751 1 49 HIS H 1 50 SER H . . 4.430 4.379 4.366 4.386 . 0 0 "[ . 1 . 2]" 1
752 1 49 HIS H 1 50 SER HA . . 5.110 4.916 4.894 4.922 . 0 0 "[ . 1 . 2]" 1
753 1 49 HIS HA 1 50 SER H . . 2.740 2.400 2.374 2.417 . 0 0 "[ . 1 . 2]" 1
754 1 49 HIS QB 1 50 SER H . . 2.620 2.429 2.373 2.534 . 0 0 "[ . 1 . 2]" 1
755 1 50 SER H 1 50 SER QB . . 3.180 3.358 2.862 3.402 0.222 1 0 "[ . 1 . 2]" 1
756 1 50 SER H 1 51 THR H . . 4.420 4.121 4.099 4.332 . 0 0 "[ . 1 . 2]" 1
757 1 50 SER H 1 51 THR HA . . 4.820 4.528 4.512 4.665 . 0 0 "[ . 1 . 2]" 1
758 1 50 SER H 1 51 THR MG . . 3.950 3.799 3.721 3.950 0.000 14 0 "[ . 1 . 2]" 1
759 1 50 SER HA 1 51 THR H . . 2.570 2.176 2.164 2.365 . 0 0 "[ . 1 . 2]" 1
760 1 50 SER QB 1 51 THR H . . 3.400 3.128 3.093 3.296 . 0 0 "[ . 1 . 2]" 1
761 1 51 THR H 1 51 THR HB . . 4.170 3.765 3.729 3.898 . 0 0 "[ . 1 . 2]" 1
762 1 51 THR H 1 51 THR MG . . 3.020 2.566 2.500 2.823 . 0 0 "[ . 1 . 2]" 1
763 1 51 THR H 1 52 ILE H . . 4.600 4.518 4.442 4.540 . 0 0 "[ . 1 . 2]" 1
764 1 51 THR HA 1 51 THR MG . . 3.330 2.409 2.394 2.435 . 0 0 "[ . 1 . 2]" 1
765 1 51 THR HA 1 52 ILE H . . 2.450 2.427 2.391 2.444 . 0 0 "[ . 1 . 2]" 1
766 1 51 THR HA 1 52 ILE QG . . 5.130 5.742 5.735 5.746 0.616 4 20 [***+*************-**] 1
767 1 51 THR HB 1 52 ILE H . . 2.910 2.408 2.366 2.485 . 0 0 "[ . 1 . 2]" 1
768 1 51 THR MG 1 52 ILE MG . . 5.250 4.896 4.861 4.924 . 0 0 "[ . 1 . 2]" 1
769 1 51 THR MG 1 81 LEU QD . . 5.500 3.097 2.819 3.319 . 0 0 "[ . 1 . 2]" 1
770 1 52 ILE H 1 52 ILE QG . . 3.130 4.147 4.134 4.155 1.025 5 20 [****+************-**] 1
771 1 52 ILE H 1 52 ILE MG . . 2.740 2.601 2.571 2.631 . 0 0 "[ . 1 . 2]" 1
772 1 52 ILE H 1 53 GLU H . . 4.450 4.181 4.146 4.207 . 0 0 "[ . 1 . 2]" 1
773 1 52 ILE HA 1 52 ILE MD . . 4.320 3.617 3.506 3.734 . 0 0 "[ . 1 . 2]" 1
774 1 52 ILE HA 1 52 ILE QG . . 3.980 2.363 2.348 2.392 . 0 0 "[ . 1 . 2]" 1
775 1 52 ILE HA 1 53 GLU H . . 2.580 2.216 2.196 2.229 . 0 0 "[ . 1 . 2]" 1
776 1 52 ILE HB 1 53 GLU H . . 2.990 3.986 3.954 4.034 1.044 17 20 [****************+-**] 1
777 1 52 ILE MD 1 52 ILE MG . . 2.770 2.279 2.085 2.393 . 0 0 "[ . 1 . 2]" 1
778 1 52 ILE MD 1 54 LEU QB . . 4.690 4.805 4.630 4.930 0.240 17 0 "[ . 1 . 2]" 1
779 1 52 ILE MD 1 54 LEU MD1 . . 3.780 2.355 2.240 2.558 . 0 0 "[ . 1 . 2]" 1
780 1 52 ILE MD 1 54 LEU QD . . 3.100 2.336 2.221 2.539 . 0 0 "[ . 1 . 2]" 1
781 1 52 ILE MD 1 54 LEU MD2 . . 3.780 3.893 3.665 4.307 0.527 11 1 "[ . 1+ . 2]" 1
782 1 52 ILE MD 1 54 LEU HG . . 3.790 4.645 4.451 4.851 1.061 14 20 [***-*********+******] 1
783 1 52 ILE MD 1 80 LEU QD . . 5.440 8.377 8.141 8.621 3.181 17 20 [************-***+***] 1
784 1 52 ILE QG 1 53 GLU H . . 3.350 2.158 2.086 2.230 . 0 0 "[ . 1 . 2]" 1
785 1 52 ILE QG 1 53 GLU QB . . 5.030 4.039 3.974 4.083 . 0 0 "[ . 1 . 2]" 1
786 1 52 ILE QG 1 54 LEU QB . . 4.490 4.099 4.059 4.121 . 0 0 "[ . 1 . 2]" 1
787 1 52 ILE QG 1 54 LEU QD . . 3.690 2.069 1.944 2.199 . 0 0 "[ . 1 . 2]" 1
788 1 52 ILE QG 1 54 LEU HG . . 5.500 4.716 4.549 4.862 . 0 0 "[ . 1 . 2]" 1
789 1 52 ILE MG 1 54 LEU QD . . 4.570 3.114 2.969 3.228 . 0 0 "[ . 1 . 2]" 1
790 1 53 GLU H 1 53 GLU QB . . 2.810 2.496 2.461 2.546 . 0 0 "[ . 1 . 2]" 1
791 1 53 GLU H 1 54 LEU H . . 4.320 4.327 4.275 4.366 0.046 3 0 "[ . 1 . 2]" 1
792 1 53 GLU HA 1 54 LEU H . . 2.430 2.146 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
793 1 53 GLU QB 1 53 GLU QG . . 2.400 2.052 2.014 2.086 . 0 0 "[ . 1 . 2]" 1
794 1 53 GLU QB 1 84 ALA MB . . 4.610 8.363 8.066 8.869 4.259 11 20 [**********+*****-***] 1
795 1 53 GLU QG 1 54 LEU H . . 4.010 2.759 2.638 2.963 . 0 0 "[ . 1 . 2]" 1
796 1 54 LEU H 1 54 LEU QD . . 3.720 2.917 2.768 3.033 . 0 0 "[ . 1 . 2]" 1
797 1 54 LEU H 1 55 PRO HD3 . . 4.850 4.753 4.507 4.859 0.009 17 0 "[ . 1 . 2]" 1
798 1 54 LEU H 1 84 ALA MB . . 4.460 8.149 7.909 8.522 4.062 11 20 [**********+**-******] 1
799 1 54 LEU HA 1 54 LEU MD1 . . 4.680 2.319 2.253 2.472 . 0 0 "[ . 1 . 2]" 1
800 1 54 LEU HA 1 54 LEU QD . . 3.770 2.299 2.236 2.440 . 0 0 "[ . 1 . 2]" 1
801 1 54 LEU HA 1 54 LEU MD2 . . 4.680 3.786 3.762 3.799 . 0 0 "[ . 1 . 2]" 1
802 1 54 LEU HA 1 55 PRO HD2 . . 3.620 2.091 1.951 2.152 . 0 0 "[ . 1 . 2]" 1
803 1 54 LEU HA 1 55 PRO HD3 . . 3.770 2.268 2.253 2.354 . 0 0 "[ . 1 . 2]" 1
804 1 54 LEU QB 1 55 PRO HD2 . . 5.220 3.121 2.945 3.558 . 0 0 "[ . 1 . 2]" 1
805 1 54 LEU QB 1 55 PRO HD3 . . 4.210 4.116 4.017 4.341 0.131 18 0 "[ . 1 . 2]" 1
806 1 54 LEU QB 1 55 PRO QG . . 3.790 4.345 4.194 4.732 0.942 18 9 "[* *. * 1***-.* + 2]" 1
807 1 54 LEU QB 1 80 LEU QD . . 4.530 6.828 6.492 7.083 2.553 6 20 [*****+****-*********] 1
808 1 54 LEU QD 1 55 PRO HD3 . . 4.170 3.779 3.660 4.013 . 0 0 "[ . 1 . 2]" 1
809 1 54 LEU QD 1 80 LEU QD . . 4.050 6.598 6.314 6.818 2.768 6 20 [*****+******-*******] 1
810 1 54 LEU MD1 1 55 PRO HD2 . . 4.710 3.372 3.227 3.501 . 0 0 "[ . 1 . 2]" 1
811 1 54 LEU MD2 1 55 PRO HD2 . . 4.710 4.104 3.997 4.438 . 0 0 "[ . 1 . 2]" 1
812 1 54 LEU HG 1 55 PRO HD2 . . 5.500 2.595 2.453 2.929 . 0 0 "[ . 1 . 2]" 1
813 1 54 LEU HG 1 55 PRO HD3 . . 5.040 4.012 3.888 4.367 . 0 0 "[ . 1 . 2]" 1
814 1 55 PRO HA 1 56 LYS H . . 2.400 3.369 3.364 3.378 0.978 1 20 [+****-**************] 1
815 1 55 PRO HA 1 56 LYS QG . . 5.230 5.147 5.058 5.242 0.012 1 0 "[ . 1 . 2]" 1
816 1 55 PRO HA 1 57 GLY H . . 3.930 6.306 6.246 6.458 2.528 11 20 [****-*****+*********] 1
817 1 55 PRO QB 1 56 LYS H . . 3.500 3.616 3.600 3.625 0.125 6 0 "[ . 1 . 2]" 1
818 1 55 PRO QB 1 57 GLY H . . 4.040 5.775 5.683 6.007 1.967 11 20 [****-*****+*********] 1
819 1 56 LYS H 1 56 LYS HA . . 2.910 2.728 2.721 2.742 . 0 0 "[ . 1 . 2]" 1
820 1 56 LYS H 1 56 LYS QB . . 2.620 2.556 2.525 2.586 . 0 0 "[ . 1 . 2]" 1
821 1 56 LYS H 1 56 LYS QG . . 2.810 2.004 1.943 2.068 . 0 0 "[ . 1 . 2]" 1
822 1 56 LYS H 1 58 MET H . . 4.920 5.796 5.683 5.903 0.983 11 20 [****-*****+*********] 1
823 1 56 LYS HA 1 56 LYS QD . . 4.890 2.392 1.984 3.487 . 0 0 "[ . 1 . 2]" 1
824 1 56 LYS HA 1 56 LYS HE2 . . 5.500 3.182 2.001 4.315 . 0 0 "[ . 1 . 2]" 1
825 1 56 LYS HA 1 56 LYS HE3 . . 5.500 3.125 2.018 3.835 . 0 0 "[ . 1 . 2]" 1
826 1 56 LYS HA 1 57 GLY QA . . 5.140 3.895 3.892 3.909 . 0 0 "[ . 1 . 2]" 1
827 1 56 LYS QB 1 56 LYS QD . . 2.920 2.555 2.056 2.799 . 0 0 "[ . 1 . 2]" 1
828 1 56 LYS QB 1 57 GLY H . . 4.080 2.747 2.496 2.836 . 0 0 "[ . 1 . 2]" 1
829 1 56 LYS QG 1 57 GLY H . . 4.210 4.445 4.334 4.516 0.306 5 0 "[ . 1 . 2]" 1
830 1 56 LYS QG 1 58 MET H . . 4.000 4.978 4.863 5.097 1.097 3 20 [**+*-***************] 1
831 1 56 LYS QG 1 58 MET QB . . 4.330 5.979 5.856 6.129 1.799 9 20 [********+**-********] 1
832 1 57 GLY H 1 57 GLY QA . . 2.520 2.393 2.368 2.438 . 0 0 "[ . 1 . 2]" 1
833 1 57 GLY H 1 58 MET H . . 3.180 2.783 2.630 2.887 . 0 0 "[ . 1 . 2]" 1
834 1 57 GLY H 1 58 MET HA . . 5.030 4.997 4.871 5.034 0.004 18 0 "[ . 1 . 2]" 1
835 1 57 GLY HA2 1 59 PRO QD . . 4.300 3.444 3.404 3.489 . 0 0 "[ . 1 . 2]" 1
836 1 57 GLY HA3 1 59 PRO QD . . 4.300 4.665 4.639 4.704 0.404 12 0 "[ . 1 . 2]" 1
837 1 58 MET H 1 58 MET QB . . 2.650 2.967 2.963 2.970 0.320 1 0 "[ . 1 . 2]" 1
838 1 58 MET H 1 59 PRO QD . . 3.840 2.306 2.260 2.412 . 0 0 "[ . 1 . 2]" 1
839 1 58 MET HA 1 59 PRO QD . . 3.800 2.091 2.055 2.107 . 0 0 "[ . 1 . 2]" 1
840 1 58 MET QB 1 59 PRO QD . . 3.720 3.830 3.828 3.832 0.112 12 0 "[ . 1 . 2]" 1
841 1 59 PRO HA 1 60 GLY H . . 2.550 2.590 2.507 2.658 0.108 11 0 "[ . 1 . 2]" 1
842 1 59 PRO HA 1 60 GLY HA2 . . 4.360 4.743 4.675 4.793 0.433 1 0 "[ . 1 . 2]" 1
843 1 59 PRO HA 1 61 GLU H . . 4.310 3.096 3.022 3.201 . 0 0 "[ . 1 . 2]" 1
844 1 59 PRO QB 1 60 GLY H . . 3.330 2.156 2.020 2.322 . 0 0 "[ . 1 . 2]" 1
845 1 59 PRO QB 1 61 GLU H . . 4.270 4.088 4.004 4.236 . 0 0 "[ . 1 . 2]" 1
846 1 59 PRO QB 1 61 GLU QG . . 3.590 4.533 4.518 4.553 0.963 14 20 [*************+*****-] 1
847 1 59 PRO QB 1 62 VAL H . . 3.700 5.518 5.107 5.968 2.268 17 20 [-***************+***] 1
848 1 59 PRO QB 1 63 LEU H . . 4.930 5.402 5.107 5.867 0.937 17 8 "[ - **** * *. + 2]" 1
849 1 59 PRO QG 1 61 GLU QB . . 4.010 6.950 6.850 7.070 3.060 14 20 [*************+*****-] 1
850 1 59 PRO QG 1 62 VAL H . . 3.160 7.253 6.892 7.606 4.446 17 20 [-***************+***] 1
851 1 59 PRO QG 1 62 VAL QG . . 3.910 7.162 6.666 7.593 3.683 17 20 [-***************+***] 1
852 1 60 GLY H 1 60 GLY HA2 . . 2.920 2.347 2.327 2.369 . 0 0 "[ . 1 . 2]" 1
853 1 60 GLY H 1 60 GLY HA3 . . 2.680 2.914 2.894 2.929 0.249 13 0 "[ . 1 . 2]" 1
854 1 60 GLY H 1 61 GLU QG . . 4.330 3.818 3.612 3.953 . 0 0 "[ . 1 . 2]" 1
855 1 60 GLY HA2 1 63 LEU H . . 3.690 3.546 3.388 3.638 . 0 0 "[ . 1 . 2]" 1
856 1 60 GLY HA2 1 63 LEU QB . . 4.070 2.304 2.159 2.377 . 0 0 "[ . 1 . 2]" 1
857 1 60 GLY HA3 1 63 LEU QB . . 4.480 3.954 3.790 4.024 . 0 0 "[ . 1 . 2]" 1
858 1 61 GLU H 1 61 GLU QB . . 2.860 2.632 2.596 2.689 . 0 0 "[ . 1 . 2]" 1
859 1 61 GLU H 1 61 GLU QG . . 3.480 2.047 1.939 2.138 . 0 0 "[ . 1 . 2]" 1
860 1 61 GLU H 1 62 VAL H . . 3.430 2.600 2.519 2.664 . 0 0 "[ . 1 . 2]" 1
861 1 61 GLU H 1 62 VAL QG . . 4.320 4.164 4.017 4.255 . 0 0 "[ . 1 . 2]" 1
862 1 61 GLU H 1 63 LEU H . . 4.520 3.556 3.497 3.715 . 0 0 "[ . 1 . 2]" 1
863 1 61 GLU HA 1 61 GLU HG2 . . 3.990 2.913 2.601 3.395 . 0 0 "[ . 1 . 2]" 1
864 1 61 GLU HA 1 61 GLU QG . . 3.440 2.794 2.530 3.187 . 0 0 "[ . 1 . 2]" 1
865 1 61 GLU HA 1 61 GLU HG3 . . 3.990 3.639 3.456 3.862 . 0 0 "[ . 1 . 2]" 1
866 1 61 GLU QB 1 62 VAL HA . . 4.380 3.861 3.830 3.883 . 0 0 "[ . 1 . 2]" 1
867 1 61 GLU QB 1 62 VAL HB . . 3.930 4.322 4.219 4.488 0.558 1 5 "[+ . *1* .- *2]" 1
868 1 61 GLU QG 1 62 VAL H . . 3.810 3.560 3.482 3.616 . 0 0 "[ . 1 . 2]" 1
869 1 61 GLU QG 1 62 VAL QG . . 5.010 4.141 4.006 4.264 . 0 0 "[ . 1 . 2]" 1
870 1 62 VAL H 1 62 VAL HB . . 3.330 2.555 2.454 2.572 . 0 0 "[ . 1 . 2]" 1
871 1 62 VAL H 1 62 VAL QG . . 2.710 2.269 2.124 2.366 . 0 0 "[ . 1 . 2]" 1
872 1 62 VAL H 1 63 LEU H . . 2.630 2.393 2.350 2.452 . 0 0 "[ . 1 . 2]" 1
873 1 62 VAL H 1 63 LEU HA . . 5.120 5.035 4.997 5.089 . 0 0 "[ . 1 . 2]" 1
874 1 62 VAL H 1 64 GLN H . . 4.330 3.907 3.875 3.932 . 0 0 "[ . 1 . 2]" 1
875 1 62 VAL HA 1 64 GLN H . . 4.020 3.800 3.782 3.832 . 0 0 "[ . 1 . 2]" 1
876 1 62 VAL HA 1 65 HIS H . . 4.480 3.555 3.520 3.596 . 0 0 "[ . 1 . 2]" 1
877 1 62 VAL HA 1 65 HIS QB . . 4.030 3.238 3.105 3.530 . 0 0 "[ . 1 . 2]" 1
878 1 62 VAL QG 1 63 LEU H . . 2.970 3.341 3.264 3.356 0.386 16 0 "[ . 1 . 2]" 1
879 1 62 VAL QG 1 63 LEU HA . . 4.260 3.590 3.389 3.748 . 0 0 "[ . 1 . 2]" 1
880 1 62 VAL QG 1 63 LEU QB . . 4.820 4.555 4.404 4.647 . 0 0 "[ . 1 . 2]" 1
881 1 63 LEU H 1 63 LEU QB . . 2.840 2.307 2.147 2.530 . 0 0 "[ . 1 . 2]" 1
882 1 63 LEU H 1 64 GLN H . . 2.800 2.585 2.559 2.601 . 0 0 "[ . 1 . 2]" 1
883 1 63 LEU H 1 64 GLN QG . . 4.490 4.829 4.603 4.952 0.462 17 0 "[ . 1 . 2]" 1
884 1 63 LEU H 1 65 HIS H . . 4.560 4.655 4.628 4.709 0.149 19 0 "[ . 1 . 2]" 1
885 1 63 LEU HA 1 63 LEU QD . . 3.980 2.571 1.965 2.989 . 0 0 "[ . 1 . 2]" 1
886 1 63 LEU HA 1 63 LEU HG . . 4.070 2.686 2.234 3.704 . 0 0 "[ . 1 . 2]" 1
887 1 63 LEU HA 1 66 PHE H . . 3.380 4.417 4.284 4.479 1.099 14 20 [*************+****-*] 1
888 1 63 LEU HA 1 66 PHE QB . . 4.460 4.118 3.982 4.276 . 0 0 "[ . 1 . 2]" 1
889 1 63 LEU QB 1 64 GLN H . . 3.030 2.974 2.945 3.007 . 0 0 "[ . 1 . 2]" 1
890 1 63 LEU QB 1 65 HIS H . . 5.500 5.243 5.223 5.263 . 0 0 "[ . 1 . 2]" 1
891 1 63 LEU QB 1 66 PHE QB . . 5.100 5.690 5.588 5.834 0.734 14 19 "[*-***********+**** *]" 1
892 1 63 LEU QD 1 64 GLN H . . 3.460 4.103 3.925 4.233 0.773 18 18 "[******** ** ****-+**]" 1
893 1 63 LEU QD 1 64 GLN HA . . 3.740 5.188 4.943 5.234 1.494 2 20 [*+*********-********] 1
894 1 63 LEU QD 1 67 THR H . . 4.660 6.087 5.374 6.409 1.749 6 20 [*****+*****-********] 1
895 1 63 LEU HG 1 64 GLN HA . . 5.500 6.406 6.285 6.652 1.152 12 20 [-**********+********] 1
896 1 63 LEU HG 1 67 THR H . . 4.270 7.290 6.575 8.409 4.139 12 20 [***********+******-*] 1
897 1 63 LEU HG 1 67 THR MG . . 4.250 7.364 6.724 8.049 3.799 15 20 [**************+***-*] 1
898 1 64 GLN H 1 64 GLN HA . . 2.910 2.886 2.862 2.892 . 0 0 "[ . 1 . 2]" 1
899 1 64 GLN H 1 64 GLN QB . . 2.530 2.169 2.130 2.241 . 0 0 "[ . 1 . 2]" 1
900 1 64 GLN H 1 64 GLN QG . . 2.870 3.035 2.835 3.118 0.248 17 0 "[ . 1 . 2]" 1
901 1 64 GLN H 1 66 PHE H . . 3.860 3.999 3.975 4.063 0.203 17 0 "[ . 1 . 2]" 1
902 1 64 GLN HA 1 64 GLN QG . . 3.680 2.423 2.293 2.613 . 0 0 "[ . 1 . 2]" 1
903 1 64 GLN HA 1 65 HIS HA . . 4.770 4.704 4.677 4.717 . 0 0 "[ . 1 . 2]" 1
904 1 64 GLN HA 1 67 THR HB . . 4.360 3.064 2.933 3.354 . 0 0 "[ . 1 . 2]" 1
905 1 64 GLN HA 1 67 THR MG . . 3.650 4.151 3.935 4.351 0.701 19 10 "[ . **-1* *.***+*]" 1
906 1 64 GLN QB 1 65 HIS H . . 3.820 2.354 2.294 2.386 . 0 0 "[ . 1 . 2]" 1
907 1 64 GLN HB2 1 65 HIS H . . 4.660 2.507 2.380 2.589 . 0 0 "[ . 1 . 2]" 1
908 1 64 GLN HB3 1 65 HIS H . . 4.660 2.862 2.794 3.005 . 0 0 "[ . 1 . 2]" 1
909 1 65 HIS H 1 65 HIS QB . . 3.350 2.279 2.191 2.501 . 0 0 "[ . 1 . 2]" 1
910 1 66 PHE H 1 66 PHE QB . . 2.820 2.283 2.209 2.516 . 0 0 "[ . 1 . 2]" 1
911 1 66 PHE H 1 67 THR MG . . 3.680 4.938 4.705 5.057 1.377 14 20 [*************+***-**] 1
912 1 66 PHE HA 1 69 THR H . . 3.890 2.887 2.795 3.016 . 0 0 "[ . 1 . 2]" 1
913 1 66 PHE HA 1 69 THR HB . . 4.250 2.878 2.562 3.207 . 0 0 "[ . 1 . 2]" 1
914 1 66 PHE QB 1 67 THR H . . 3.370 3.880 3.875 3.883 0.513 1 20 [+******-************] 1
915 1 66 PHE HB2 1 67 THR H . . 4.200 4.330 4.260 4.354 0.154 3 0 "[ . 1 . 2]" 1
916 1 66 PHE HB3 1 67 THR H . . 4.200 4.383 4.354 4.473 0.273 14 0 "[ . 1 . 2]" 1
917 1 67 THR H 1 67 THR HA . . 2.840 2.856 2.808 2.882 0.042 2 0 "[ . 1 . 2]" 1
918 1 67 THR H 1 67 THR HB . . 2.860 2.544 2.459 2.641 . 0 0 "[ . 1 . 2]" 1
919 1 67 THR H 1 67 THR MG . . 2.740 2.179 1.925 2.359 . 0 0 "[ . 1 . 2]" 1
920 1 67 THR HA 1 67 THR MG . . 3.350 3.196 3.187 3.206 . 0 0 "[ . 1 . 2]" 1
921 1 67 THR MG 1 68 ARG HG2 . . 4.600 3.343 2.172 4.533 . 0 0 "[ . 1 . 2]" 1
922 1 67 THR MG 1 68 ARG QG . . 3.990 3.040 2.138 3.894 . 0 0 "[ . 1 . 2]" 1
923 1 67 THR MG 1 68 ARG HG3 . . 4.600 3.736 2.943 4.473 . 0 0 "[ . 1 . 2]" 1
924 1 67 THR MG 1 69 THR H . . 4.690 3.855 3.488 4.022 . 0 0 "[ . 1 . 2]" 1
925 1 68 ARG H 1 68 ARG QB . . 3.520 2.821 2.470 3.029 . 0 0 "[ . 1 . 2]" 1
926 1 68 ARG H 1 69 THR H . . 2.980 1.973 1.871 2.179 . 0 0 "[ . 1 . 2]" 1
927 1 68 ARG HA 1 68 ARG HD2 . . 5.500 4.567 3.671 5.476 . 0 0 "[ . 1 . 2]" 1
928 1 68 ARG HA 1 68 ARG QD . . 4.750 3.907 3.433 4.389 . 0 0 "[ . 1 . 2]" 1
929 1 68 ARG HA 1 68 ARG HD3 . . 5.500 4.371 3.606 5.410 . 0 0 "[ . 1 . 2]" 1
930 1 68 ARG HA 1 68 ARG HG2 . . 4.250 3.636 2.170 4.225 . 0 0 "[ . 1 . 2]" 1
931 1 68 ARG HA 1 68 ARG QG . . 3.610 3.197 2.144 3.432 . 0 0 "[ . 1 . 2]" 1
932 1 68 ARG HA 1 68 ARG HG3 . . 4.250 3.730 3.352 4.213 . 0 0 "[ . 1 . 2]" 1
933 1 68 ARG HA 1 69 THR H . . 3.250 3.415 3.264 3.442 0.192 3 0 "[ . 1 . 2]" 1
934 1 69 THR H 1 69 THR HB . . 2.580 2.575 2.496 2.650 0.070 3 0 "[ . 1 . 2]" 1
935 1 69 THR H 1 69 THR MG . . 3.900 3.827 3.790 3.861 . 0 0 "[ . 1 . 2]" 1
936 1 69 THR H 1 70 ARG H . . 4.660 4.384 4.292 4.451 . 0 0 "[ . 1 . 2]" 1
937 1 69 THR HA 1 69 THR MG . . 3.360 2.371 2.300 2.415 . 0 0 "[ . 1 . 2]" 1
938 1 69 THR HA 1 70 ARG H . . 2.590 2.153 2.142 2.189 . 0 0 "[ . 1 . 2]" 1
939 1 69 THR HA 1 70 ARG HA . . 5.200 4.406 4.384 4.442 . 0 0 "[ . 1 . 2]" 1
940 1 69 THR HA 1 70 ARG QB . . 5.130 4.262 4.122 4.419 . 0 0 "[ . 1 . 2]" 1
941 1 69 THR MG 1 70 ARG H . . 2.840 2.681 2.151 2.959 0.119 20 0 "[ . 1 . 2]" 1
942 1 69 THR MG 1 70 ARG QG . . 4.500 4.441 4.330 4.497 . 0 0 "[ . 1 . 2]" 1
943 1 70 ARG H 1 70 ARG QD . . 4.820 3.196 2.907 3.542 . 0 0 "[ . 1 . 2]" 1
944 1 70 ARG H 1 70 ARG QG . . 3.340 3.814 3.616 3.889 0.549 13 8 "[ ** . ** 1 +*.* - 2]" 1
945 1 70 ARG HA 1 71 ILE H . . 2.700 2.558 2.551 2.563 . 0 0 "[ . 1 . 2]" 1
946 1 70 ARG HA 1 71 ILE HA . . 5.500 4.610 4.597 4.615 . 0 0 "[ . 1 . 2]" 1
947 1 70 ARG HA 1 75 PRO HA . . 3.450 6.586 6.518 6.648 3.198 16 20 [********-******+****] 1
948 1 70 ARG HA 1 76 MET H . . 3.930 5.494 5.387 5.578 1.648 13 20 [****-*******+*******] 1
949 1 70 ARG QB 1 71 ILE H . . 3.110 2.082 2.073 2.103 . 0 0 "[ . 1 . 2]" 1
950 1 70 ARG QB 1 71 ILE HA . . 4.530 3.801 3.786 3.829 . 0 0 "[ . 1 . 2]" 1
951 1 70 ARG QB 1 71 ILE MG . . 4.020 4.410 4.385 4.438 0.418 9 0 "[ . 1 . 2]" 1
952 1 70 ARG QB 1 73 ASN H . . 4.150 5.948 5.883 5.979 1.829 13 20 [************+*-*****] 1
953 1 70 ARG QB 1 73 ASN HA . . 4.370 7.127 7.027 7.166 2.796 9 20 [********+*****-*****] 1
954 1 70 ARG QB 1 74 LYS H . . 3.390 4.535 4.442 4.609 1.219 9 20 [********+*****-*****] 1
955 1 70 ARG QB 1 74 LYS HA . . 4.770 4.694 4.517 4.772 0.002 13 0 "[ . 1 . 2]" 1
956 1 70 ARG QB 1 75 PRO HA . . 4.170 4.495 4.368 4.535 0.365 9 0 "[ . 1 . 2]" 1
957 1 70 ARG QB 1 75 PRO QB . . 4.280 4.641 4.543 4.666 0.386 8 0 "[ . 1 . 2]" 1
958 1 70 ARG QB 1 75 PRO QG . . 4.900 4.109 4.002 4.146 . 0 0 "[ . 1 . 2]" 1
959 1 70 ARG QD 1 71 ILE H . . 4.620 4.877 4.785 4.983 0.363 2 0 "[ . 1 . 2]" 1
960 1 70 ARG QD 1 73 ASN HA . . 4.130 9.637 9.524 9.749 5.619 15 20 [************-*+*****] 1
961 1 70 ARG QD 1 73 ASN QB . . 5.340 8.227 8.072 8.378 3.038 1 20 [+***************-***] 1
962 1 70 ARG QG 1 74 LYS HA . . 4.310 4.286 4.116 4.500 0.190 15 0 "[ . 1 . 2]" 1
963 1 70 ARG QG 1 75 PRO HA . . 4.710 4.129 3.978 4.274 . 0 0 "[ . 1 . 2]" 1
964 1 70 ARG HG2 1 75 PRO HA . . 5.500 4.240 4.065 4.414 . 0 0 "[ . 1 . 2]" 1
965 1 70 ARG HG3 1 75 PRO HA . . 5.500 5.691 5.623 5.887 0.387 15 0 "[ . 1 . 2]" 1
966 1 71 ILE H 1 71 ILE HB . . 3.010 3.269 3.243 3.279 0.269 19 0 "[ . 1 . 2]" 1
967 1 71 ILE H 1 71 ILE MG . . 3.090 2.741 2.698 2.759 . 0 0 "[ . 1 . 2]" 1
968 1 71 ILE H 1 72 LEU H . . 4.490 4.363 4.360 4.367 . 0 0 "[ . 1 . 2]" 1
969 1 71 ILE H 1 73 ASN H . . 4.400 4.253 4.213 4.286 . 0 0 "[ . 1 . 2]" 1
970 1 71 ILE H 1 74 LYS H . . 3.430 2.943 2.917 2.966 . 0 0 "[ . 1 . 2]" 1
971 1 71 ILE H 1 75 PRO HA . . 3.340 5.400 5.364 5.440 2.100 13 20 [************+*-*****] 1
972 1 71 ILE H 1 76 MET H . . 3.750 3.831 3.726 3.945 0.195 13 0 "[ . 1 . 2]" 1
973 1 71 ILE H 1 76 MET QB . . 4.680 3.194 3.023 3.307 . 0 0 "[ . 1 . 2]" 1
974 1 71 ILE HA 1 71 ILE MD . . 3.930 3.291 3.202 3.346 . 0 0 "[ . 1 . 2]" 1
975 1 71 ILE HA 1 71 ILE MG . . 3.620 3.158 3.157 3.159 . 0 0 "[ . 1 . 2]" 1
976 1 71 ILE HA 1 72 LEU H . . 2.540 2.608 2.591 2.623 0.083 5 0 "[ . 1 . 2]" 1
977 1 71 ILE HB 1 71 ILE MD . . 3.650 2.113 2.011 2.226 . 0 0 "[ . 1 . 2]" 1
978 1 71 ILE MD 1 71 ILE MG . . 2.940 2.676 2.608 2.810 . 0 0 "[ . 1 . 2]" 1
979 1 71 ILE MD 1 72 LEU MD1 . . 5.500 5.156 5.033 5.291 . 0 0 "[ . 1 . 2]" 1
980 1 71 ILE QG 1 71 ILE MG . . 3.030 1.964 1.952 1.972 . 0 0 "[ . 1 . 2]" 1
981 1 71 ILE QG 1 72 LEU HB2 . . 4.820 4.542 4.527 4.573 . 0 0 "[ . 1 . 2]" 1
982 1 71 ILE QG 1 72 LEU HB3 . . 3.790 3.304 3.257 3.367 . 0 0 "[ . 1 . 2]" 1
983 1 71 ILE QG 1 72 LEU MD1 . . 4.540 4.169 4.070 4.243 . 0 0 "[ . 1 . 2]" 1
984 1 71 ILE QG 1 72 LEU MD2 . . 3.640 2.692 2.569 2.857 . 0 0 "[ . 1 . 2]" 1
985 1 71 ILE HG12 1 71 ILE MG . . 3.460 1.989 1.978 1.996 . 0 0 "[ . 1 . 2]" 1
986 1 71 ILE HG13 1 71 ILE MG . . 3.460 3.039 2.988 3.059 . 0 0 "[ . 1 . 2]" 1
987 1 71 ILE MG 1 72 LEU HB2 . . 4.390 4.348 4.332 4.366 . 0 0 "[ . 1 . 2]" 1
988 1 71 ILE MG 1 72 LEU HB3 . . 4.040 3.824 3.749 3.919 . 0 0 "[ . 1 . 2]" 1
989 1 71 ILE MG 1 72 LEU MD1 . . 5.250 3.212 3.158 3.245 . 0 0 "[ . 1 . 2]" 1
990 1 71 ILE MG 1 72 LEU MD2 . . 4.230 3.134 3.096 3.175 . 0 0 "[ . 1 . 2]" 1
991 1 71 ILE MG 1 72 LEU HG . . 4.710 1.937 1.923 1.948 . 0 0 "[ . 1 . 2]" 1
992 1 71 ILE MG 1 73 ASN H . . 4.670 1.772 1.762 1.788 . 0 0 "[ . 1 . 2]" 1
993 1 71 ILE MG 1 74 LYS H . . 3.730 1.929 1.909 1.967 . 0 0 "[ . 1 . 2]" 1
994 1 71 ILE MG 1 74 LYS QB . . 3.910 3.354 3.333 3.396 . 0 0 "[ . 1 . 2]" 1
995 1 71 ILE MG 1 76 MET QB . . 5.500 4.679 4.586 4.744 . 0 0 "[ . 1 . 2]" 1
996 1 72 LEU H 1 72 LEU HA . . 2.600 2.676 2.673 2.679 0.079 5 0 "[ . 1 . 2]" 1
997 1 72 LEU H 1 72 LEU HB2 . . 4.180 3.590 3.582 3.599 . 0 0 "[ . 1 . 2]" 1
998 1 72 LEU H 1 72 LEU HB3 . . 3.370 2.388 2.361 2.425 . 0 0 "[ . 1 . 2]" 1
999 1 72 LEU H 1 72 LEU MD1 . . 3.650 3.990 3.956 4.012 0.362 15 0 "[ . 1 . 2]" 1
1000 1 72 LEU H 1 72 LEU MD2 . . 3.760 3.110 3.045 3.172 . 0 0 "[ . 1 . 2]" 1
1001 1 72 LEU H 1 73 ASN H . . 3.100 3.006 2.994 3.018 . 0 0 "[ . 1 . 2]" 1
1002 1 72 LEU H 1 73 ASN QB . . 5.280 4.797 4.750 4.815 . 0 0 "[ . 1 . 2]" 1
1003 1 72 LEU H 1 74 LYS H . . 4.280 4.814 4.803 4.831 0.551 3 20 [**+************-****] 1
1004 1 72 LEU HA 1 72 LEU MD1 . . 3.170 3.574 3.536 3.609 0.439 13 0 "[ . 1 . 2]" 1
1005 1 72 LEU HA 1 72 LEU MD2 . . 3.820 4.059 4.031 4.079 0.259 5 0 "[ . 1 . 2]" 1
1006 1 72 LEU HA 1 73 ASN H . . 3.180 3.539 3.536 3.542 0.362 13 0 "[ . 1 . 2]" 1
1007 1 72 LEU HB3 1 73 ASN H . . 4.050 3.843 3.827 3.859 . 0 0 "[ . 1 . 2]" 1
1008 1 72 LEU MD1 1 73 ASN H . . 4.630 2.557 2.484 2.602 . 0 0 "[ . 1 . 2]" 1
1009 1 72 LEU MD2 1 73 ASN H . . 4.390 3.677 3.672 3.682 . 0 0 "[ . 1 . 2]" 1
1010 1 73 ASN H 1 73 ASN HA . . 2.400 2.872 2.866 2.877 0.477 15 0 "[ . 1 . 2]" 1
1011 1 73 ASN H 1 73 ASN QB . . 3.260 2.248 2.093 2.289 . 0 0 "[ . 1 . 2]" 1
1012 1 73 ASN H 1 74 LYS H . . 2.820 2.710 2.693 2.734 . 0 0 "[ . 1 . 2]" 1
1013 1 73 ASN H 1 74 LYS HA . . 5.270 5.264 5.249 5.285 0.015 13 0 "[ . 1 . 2]" 1
1014 1 73 ASN HA 1 74 LYS H . . 3.180 3.570 3.569 3.571 0.391 17 0 "[ . 1 . 2]" 1
1015 1 73 ASN HA 1 74 LYS HA . . 4.450 4.748 4.741 4.758 0.308 9 0 "[ . 1 . 2]" 1
1016 1 73 ASN HA 1 74 LYS QD . . 4.970 4.515 4.465 4.555 . 0 0 "[ . 1 . 2]" 1
1017 1 73 ASN QB 1 74 LYS HA . . 4.780 4.161 3.680 4.350 . 0 0 "[ . 1 . 2]" 1
1018 1 74 LYS H 1 74 LYS QB . . 3.180 2.728 2.721 2.735 . 0 0 "[ . 1 . 2]" 1
1019 1 74 LYS H 1 74 LYS QD . . 2.740 2.330 2.261 2.388 . 0 0 "[ . 1 . 2]" 1
1020 1 74 LYS H 1 74 LYS QG . . 3.150 1.841 1.824 1.857 . 0 0 "[ . 1 . 2]" 1
1021 1 74 LYS HA 1 74 LYS HD2 . . 5.500 2.390 2.346 2.512 . 0 0 "[ . 1 . 2]" 1
1022 1 74 LYS HA 1 74 LYS QD . . 4.670 2.319 2.250 2.353 . 0 0 "[ . 1 . 2]" 1
1023 1 74 LYS HA 1 74 LYS HD3 . . 5.500 3.448 2.692 3.905 . 0 0 "[ . 1 . 2]" 1
1024 1 74 LYS HA 1 74 LYS QE . . 4.340 3.284 2.291 4.306 . 0 0 "[ . 1 . 2]" 1
1025 1 74 LYS HA 1 74 LYS HG2 . . 4.240 3.471 3.456 3.490 . 0 0 "[ . 1 . 2]" 1
1026 1 74 LYS HA 1 74 LYS QG . . 3.590 3.229 3.220 3.241 . 0 0 "[ . 1 . 2]" 1
1027 1 74 LYS HA 1 74 LYS HG3 . . 4.240 3.844 3.835 3.853 . 0 0 "[ . 1 . 2]" 1
1028 1 74 LYS HA 1 75 PRO HD2 . . 3.230 2.546 2.537 2.552 . 0 0 "[ . 1 . 2]" 1
1029 1 74 LYS HA 1 75 PRO HD3 . . 3.570 2.369 2.364 2.372 . 0 0 "[ . 1 . 2]" 1
1030 1 74 LYS HA 1 75 PRO QG . . 4.460 4.098 4.092 4.102 . 0 0 "[ . 1 . 2]" 1
1031 1 74 LYS QB 1 74 LYS QE . . 4.530 2.657 1.980 3.747 . 0 0 "[ . 1 . 2]" 1
1032 1 74 LYS QB 1 75 PRO HD2 . . 3.780 1.720 1.708 1.732 . 0 0 "[ . 1 . 2]" 1
1033 1 74 LYS QB 1 75 PRO QG . . 4.650 3.429 3.421 3.438 . 0 0 "[ . 1 . 2]" 1
1034 1 74 LYS HB2 1 75 PRO HD2 . . 4.350 2.987 2.966 3.008 . 0 0 "[ . 1 . 2]" 1
1035 1 74 LYS HB3 1 75 PRO HD2 . . 4.350 1.731 1.718 1.743 . 0 0 "[ . 1 . 2]" 1
1036 1 75 PRO HA 1 76 MET H . . 2.400 2.440 2.418 2.469 0.069 5 0 "[ . 1 . 2]" 1
1037 1 75 PRO HA 1 76 MET QB . . 5.500 4.300 4.283 4.327 . 0 0 "[ . 1 . 2]" 1
1038 1 76 MET H 1 76 MET QB . . 2.550 2.227 2.222 2.247 . 0 0 "[ . 1 . 2]" 1
1039 1 76 MET HA 1 76 MET QG . . 3.810 3.061 2.905 3.076 . 0 0 "[ . 1 . 2]" 1
1040 1 76 MET HA 1 77 ASN H . . 3.120 3.567 3.556 3.573 0.453 1 0 "[ . 1 . 2]" 1
1041 1 76 MET HA 1 78 MET H . . 5.420 5.025 4.790 5.331 . 0 0 "[ . 1 . 2]" 1
1042 1 76 MET QB 1 77 ASN H . . 2.780 2.320 2.160 2.486 . 0 0 "[ . 1 . 2]" 1
1043 1 76 MET QB 1 77 ASN QB . . 4.700 3.623 3.518 3.646 . 0 0 "[ . 1 . 2]" 1
1044 1 76 MET QB 1 78 MET H . . 3.730 4.805 4.491 5.226 1.496 16 20 [*************-*+****] 1
1045 1 76 MET QG 1 77 ASN H . . 2.800 3.008 2.740 3.276 0.476 3 0 "[ . 1 . 2]" 1
1046 1 76 MET QG 1 77 ASN QB . . 3.950 2.355 2.240 2.611 . 0 0 "[ . 1 . 2]" 1
1047 1 77 ASN H 1 77 ASN QB . . 3.050 2.732 2.647 2.791 . 0 0 "[ . 1 . 2]" 1
1048 1 77 ASN H 1 78 MET H . . 3.100 2.817 2.522 3.301 0.201 15 0 "[ . 1 . 2]" 1
1049 1 77 ASN QB 1 78 MET H . . 2.530 3.973 3.914 4.028 1.498 16 20 [*************-*+****] 1
1050 1 78 MET H 1 78 MET HB2 . . 4.020 3.662 3.601 3.717 . 0 0 "[ . 1 . 2]" 1
1051 1 78 MET H 1 78 MET HB3 . . 2.770 2.917 2.746 3.314 0.544 16 2 "[ . 1 -+ 2]" 1
1052 1 78 MET H 1 78 MET QG . . 4.030 1.983 1.909 2.236 . 0 0 "[ . 1 . 2]" 1
1053 1 78 MET H 1 79 GLN H . . 4.500 4.504 4.447 4.550 0.050 19 0 "[ . 1 . 2]" 1
1054 1 78 MET HA 1 78 MET QG . . 3.500 3.384 3.327 3.413 . 0 0 "[ . 1 . 2]" 1
1055 1 78 MET HA 1 79 GLN H . . 2.770 2.537 2.480 2.625 . 0 0 "[ . 1 . 2]" 1
1056 1 78 MET HA 1 79 GLN HA . . 4.760 4.550 4.504 4.610 . 0 0 "[ . 1 . 2]" 1
1057 1 78 MET HB2 1 79 GLN H . . 3.000 2.179 2.033 2.287 . 0 0 "[ . 1 . 2]" 1
1058 1 78 MET HB2 1 79 GLN HA . . 4.600 4.313 4.090 4.411 . 0 0 "[ . 1 . 2]" 1
1059 1 78 MET HB3 1 79 GLN H . . 3.750 3.596 3.365 3.701 . 0 0 "[ . 1 . 2]" 1
1060 1 79 GLN H 1 79 GLN QB . . 3.410 3.006 2.827 3.169 . 0 0 "[ . 1 . 2]" 1
1061 1 79 GLN H 1 79 GLN QG . . 3.800 2.772 2.549 2.888 . 0 0 "[ . 1 . 2]" 1
1062 1 79 GLN H 1 80 LEU HA . . 5.080 4.690 4.586 4.789 . 0 0 "[ . 1 . 2]" 1
1063 1 79 GLN HA 1 79 GLN QG . . 3.570 2.984 2.559 3.328 . 0 0 "[ . 1 . 2]" 1
1064 1 79 GLN HA 1 80 LEU H . . 2.550 2.218 2.145 2.361 . 0 0 "[ . 1 . 2]" 1
1065 1 79 GLN QB 1 80 LEU QD . . 4.430 4.911 4.669 5.144 0.714 3 8 "[ -+** *1 **. * 2]" 1
1066 1 79 GLN QG 1 80 LEU H . . 3.480 4.167 3.684 4.638 1.158 11 12 "[* .*** -+* ** ***]" 1
1067 1 79 GLN QG 1 81 LEU HA . . 4.360 5.900 4.107 7.170 2.810 12 12 "[* .*** **+ ** *-*]" 1
1068 1 79 GLN QG 1 81 LEU QD . . 4.630 4.981 3.731 5.908 1.278 12 12 "[* .*** **+ *- ***]" 1
1069 1 80 LEU H 1 80 LEU QB . . 2.590 2.242 2.170 2.295 . 0 0 "[ . 1 . 2]" 1
1070 1 80 LEU H 1 80 LEU MD1 . . 4.360 4.086 3.938 4.232 . 0 0 "[ . 1 . 2]" 1
1071 1 80 LEU H 1 80 LEU QD . . 3.100 3.601 3.473 3.629 0.529 14 13 "[** ******- +.** *]" 1
1072 1 80 LEU H 1 80 LEU MD2 . . 4.360 4.013 3.691 4.131 . 0 0 "[ . 1 . 2]" 1
1073 1 80 LEU HA 1 80 LEU MD1 . . 4.700 3.241 2.925 3.389 . 0 0 "[ . 1 . 2]" 1
1074 1 80 LEU HA 1 80 LEU QD . . 3.540 1.966 1.904 2.026 . 0 0 "[ . 1 . 2]" 1
1075 1 80 LEU HA 1 80 LEU MD2 . . 4.700 1.983 1.919 2.043 . 0 0 "[ . 1 . 2]" 1
1076 1 80 LEU HA 1 81 LEU H . . 2.640 2.141 2.139 2.143 . 0 0 "[ . 1 . 2]" 1
1077 1 80 LEU HA 1 81 LEU QD . . 5.340 4.448 4.397 4.511 . 0 0 "[ . 1 . 2]" 1
1078 1 80 LEU QD 1 81 LEU H . . 3.000 2.136 1.937 2.561 . 0 0 "[ . 1 . 2]" 1
1079 1 80 LEU QD 1 83 ASP H . . 5.340 3.816 3.545 3.987 . 0 0 "[ . 1 . 2]" 1
1080 1 81 LEU H 1 81 LEU QB . . 3.810 2.703 2.640 2.730 . 0 0 "[ . 1 . 2]" 1
1081 1 81 LEU H 1 81 LEU QD . . 3.180 3.152 3.110 3.233 0.053 9 0 "[ . 1 . 2]" 1
1082 1 81 LEU H 1 81 LEU HG . . 3.070 2.534 2.454 2.576 . 0 0 "[ . 1 . 2]" 1
1083 1 81 LEU H 1 82 GLY H . . 3.040 1.917 1.884 2.001 . 0 0 "[ . 1 . 2]" 1
1084 1 81 LEU H 1 82 GLY QA . . 5.270 3.932 3.905 3.997 . 0 0 "[ . 1 . 2]" 1
1085 1 81 LEU HA 1 81 LEU QD . . 3.460 3.284 3.249 3.296 . 0 0 "[ . 1 . 2]" 1
1086 1 81 LEU HA 1 82 GLY QA . . 4.660 4.383 4.354 4.420 . 0 0 "[ . 1 . 2]" 1
1087 1 81 LEU QB 1 82 GLY H . . 3.030 3.553 3.499 3.590 0.560 13 17 "[****-*** ** +**** **]" 1
1088 1 81 LEU QD 1 82 GLY H . . 3.170 3.145 2.976 3.233 0.063 13 0 "[ . 1 . 2]" 1
1089 1 81 LEU HG 1 82 GLY QA . . 5.500 3.216 3.175 3.281 . 0 0 "[ . 1 . 2]" 1
1090 1 82 GLY H 1 82 GLY QA . . 2.710 2.243 2.221 2.264 . 0 0 "[ . 1 . 2]" 1
1091 1 82 GLY H 1 83 ASP H . . 3.910 4.288 4.107 4.373 0.463 18 0 "[ . 1 . 2]" 1
1092 1 82 GLY H 1 83 ASP HA . . 5.500 5.183 5.087 5.277 . 0 0 "[ . 1 . 2]" 1
1093 1 82 GLY H 1 84 ALA H . . 4.640 7.108 6.741 7.359 2.719 18 20 [************-****+**] 1
1094 1 82 GLY QA 1 83 ASP H . . 2.550 2.212 2.154 2.247 . 0 0 "[ . 1 . 2]" 1
1095 1 82 GLY QA 1 84 ALA H . . 4.300 5.567 5.309 5.719 1.419 17 20 [******-*********+***] 1
1096 1 83 ASP H 1 83 ASP HB2 . . 3.660 3.369 3.017 3.682 0.022 3 0 "[ . 1 . 2]" 1
1097 1 83 ASP H 1 83 ASP QB . . 2.960 2.900 2.829 2.965 0.005 3 0 "[ . 1 . 2]" 1
1098 1 83 ASP H 1 83 ASP HB3 . . 3.660 3.197 3.050 3.790 0.130 11 0 "[ . 1 . 2]" 1
1099 1 83 ASP H 1 84 ALA H . . 2.690 4.152 3.932 4.337 1.647 9 20 [********+***-*******] 1
1100 1 83 ASP HA 1 84 ALA HA . . 5.500 4.335 4.301 4.377 . 0 0 "[ . 1 . 2]" 1
1101 1 83 ASP QB 1 84 ALA H . . 3.010 3.546 3.233 3.823 0.813 7 8 "[ **. + 1 -*** *2]" 1
1102 1 83 ASP HB2 1 84 ALA H . . 3.650 4.170 4.006 4.439 0.789 13 7 "[ *. - 1**+ * *2]" 1
1103 1 83 ASP HB3 1 84 ALA H . . 3.650 3.863 3.330 4.331 0.681 7 5 "[ *-. + 1 ** 2]" 1
1104 1 84 ALA H 1 84 ALA HA . . 2.900 2.803 2.755 2.853 . 0 0 "[ . 1 . 2]" 1
1105 1 84 ALA H 1 84 ALA MB . . 2.440 2.054 2.024 2.113 . 0 0 "[ . 1 . 2]" 1
1106 1 84 ALA HA 1 85 GLN H . . 2.710 2.150 2.142 2.172 . 0 0 "[ . 1 . 2]" 1
1107 1 84 ALA HA 1 85 GLN HA . . 4.460 4.374 4.345 4.446 . 0 0 "[ . 1 . 2]" 1
1108 1 84 ALA MB 1 85 GLN H . . 2.910 3.228 3.091 3.454 0.544 7 1 "[ . + 1 . 2]" 1
1109 1 85 GLN H 1 85 GLN HA . . 2.800 2.774 2.759 2.791 . 0 0 "[ . 1 . 2]" 1
1110 1 85 GLN H 1 85 GLN HB2 . . 3.730 2.248 2.112 3.560 . 0 0 "[ . 1 . 2]" 1
1111 1 85 GLN H 1 85 GLN QB . . 2.910 2.122 2.076 2.298 . 0 0 "[ . 1 . 2]" 1
1112 1 85 GLN H 1 85 GLN HB3 . . 3.730 2.943 2.327 3.431 . 0 0 "[ . 1 . 2]" 1
1113 1 85 GLN H 1 85 GLN QG . . 3.370 3.811 2.530 4.046 0.676 18 12 "[** * * ** * *.- +**]" 1
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