NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
385689 |
1l7b   |
5328 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1l7b
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 762
_Distance_constraint_stats_list.Viol_count 1291
_Distance_constraint_stats_list.Viol_total 26968.162
_Distance_constraint_stats_list.Viol_max 12.961
_Distance_constraint_stats_list.Viol_rms 1.1829
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3539
_Distance_constraint_stats_list.Viol_average_violations_only 2.0889
_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 3 LYS 0.000 0.000 . 0 "[ . 1]"
1 4 GLY 1.437 0.581 4 1 "[ +. 1]"
1 5 GLY 1.437 0.581 4 1 "[ +. 1]"
1 6 GLU 71.694 8.265 3 10 [**+******-]
1 7 ALA 20.144 1.841 5 10 [****+****-]
1 8 LEU 33.693 2.324 7 10 [*-****+***]
1 9 LYS 7.485 0.559 1 9 "[+* ******-]"
1 10 GLY 0.000 0.000 . 0 "[ . 1]"
1 11 LEU 82.887 5.330 5 10 [****+-****]
1 12 THR 72.023 3.795 5 10 [****+**-**]
1 13 PHE 27.288 2.262 2 10 [*+*****-**]
1 14 VAL 15.349 1.256 9 8 "[****.*- +*]"
1 15 ILE 65.781 3.377 4 10 [***+-*****]
1 16 THR 164.903 4.668 10 10 [****-****+]
1 17 GLY 141.898 7.507 10 10 [******-**+]
1 18 GLU 209.963 6.838 10 10 [*********+]
1 19 LEU 15.458 1.870 10 10 [*****-***+]
1 20 SER 0.449 0.319 3 0 "[ . 1]"
1 21 ARG 2.620 0.484 4 0 "[ . 1]"
1 22 PRO 20.188 4.740 2 9 "[*+***** *-]"
1 23 ARG 84.148 8.765 9 10 [**-*****+*]
1 24 GLU 17.150 4.554 2 7 "[*+* -** *1]"
1 25 GLU 0.000 0.000 . 0 "[ . 1]"
1 26 VAL 2.550 0.796 9 3 "[- .* +1]"
1 27 LYS 0.336 0.116 4 0 "[ . 1]"
1 28 ALA 0.000 0.000 . 0 "[ . 1]"
1 29 LEU 11.920 1.479 4 9 "[***+*-* **]"
1 30 LEU 8.923 1.479 4 9 "[***+*-* **]"
1 31 ARG 1.530 0.991 1 1 "[+ . 1]"
1 32 ARG 3.340 0.383 8 0 "[ . 1]"
1 33 LEU 9.504 0.754 4 9 "[** +*****-]"
1 34 GLY 1.877 0.754 4 1 "[ +. 1]"
1 35 ALA 3.815 0.574 8 2 "[ . +-1]"
1 36 LYS 10.396 1.002 4 8 "[ **+.***-*]"
1 37 VAL 5.283 0.991 1 3 "[+ . *-1]"
1 38 THR 2.784 0.516 9 1 "[ . +1]"
1 39 ASP 34.546 2.832 2 10 [*+*-******]
1 40 SER 30.184 3.429 2 10 [*+*-******]
1 41 VAL 198.312 6.974 3 10 [**+*******]
1 42 SER 171.095 6.870 3 10 [**+*-*****]
1 43 ARG 136.685 7.691 1 10 [+********-]
1 44 LYS 119.832 12.961 9 10 [****-***+*]
1 45 THR 173.616 9.397 7 10 [******+*-*]
1 46 SER 130.375 5.330 5 10 [****+**-**]
1 47 TYR 86.038 8.265 3 10 [**+****-**]
1 48 LEU 27.685 1.571 3 9 "[-*+ ******]"
1 49 VAL 142.020 8.765 9 10 [*******-+*]
1 50 VAL 85.551 4.668 10 10 [******-**+]
1 51 GLY 85.283 5.160 2 10 [*+********]
1 52 GLU 107.714 6.549 10 10 [*-*******+]
1 53 ASN 72.015 7.507 10 10 [-********+]
1 54 PRO 118.055 6.838 10 10 [*-*******+]
1 55 GLY 40.439 1.877 3 10 [**+****-**]
1 56 SER 38.775 1.848 1 10 [+******-**]
1 57 LYS 0.000 0.000 . 0 "[ . 1]"
1 58 LEU 17.768 1.746 7 10 [****-*+***]
1 59 GLU 6.400 0.542 10 4 "[ * - * +]"
1 60 LYS 448.337 6.974 3 10 [**+**-****]
1 61 ALA 66.677 3.577 2 10 [*+****-***]
1 62 ARG 70.456 3.538 6 10 [*****+***-]
1 63 ALA 153.660 5.882 3 10 [**+*-*****]
1 64 LEU 338.249 12.961 9 10 [-*******+*]
1 65 GLY 86.918 3.577 2 10 [*+*****-**]
1 66 VAL 56.118 3.137 10 10 [******-**+]
1 67 PRO 0.000 0.000 . 0 "[ . 1]"
1 68 THR 50.618 4.017 7 10 [-*****+***]
1 69 LEU 46.435 2.438 4 10 [***+*-****]
1 70 THR 1.703 0.290 3 0 "[ . 1]"
1 71 GLU 34.516 3.377 4 10 [*-*+******]
1 72 GLU 0.000 0.000 . 0 "[ . 1]"
1 73 GLU 2.825 0.438 4 0 "[ . 1]"
1 74 LEU 25.865 2.112 7 10 [******+*-*]
1 75 TYR 144.392 10.825 6 10 [-****+****]
1 76 ARG 12.536 2.030 3 9 "[**+**** -*]"
1 77 LEU 8.152 0.562 3 2 "[ + .- 1]"
1 78 LEU 19.332 2.324 7 10 [******+**-]
1 79 GLU 6.067 0.796 9 4 "[ * *-+1]"
1 80 ALA 151.445 6.302 1 10 [+***-*****]
1 81 ARG 6.162 1.603 8 4 "[ * *.- + 1]"
1 82 THR 15.895 2.253 2 4 "[ + *.- * 1]"
1 83 GLY 0.934 0.397 1 0 "[ . 1]"
1 84 LYS 125.045 4.656 9 10 [-*******+*]
1 85 LYS 95.188 6.302 1 10 [+******-**]
1 86 ALA 112.758 5.444 10 10 [********-+]
1 87 GLU 37.419 6.948 6 9 "[** **+-***]"
1 88 GLU 2.854 1.087 9 2 "[ - +1]"
1 89 LEU 285.838 10.825 6 10 [**-**+****]
1 90 VAL 41.569 6.948 6 10 [**-**+****]
1 91 GLY 1.785 0.426 7 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS HA 1 4 GLY H . . 4.000 3.270 3.141 3.448 . 0 0 "[ . 1]" 1
2 1 3 LYS QB 1 4 GLY H . . 5.600 3.448 3.007 3.911 . 0 0 "[ . 1]" 1
3 1 4 GLY H 1 5 GLY H . . 4.000 3.535 1.778 4.581 0.581 4 1 "[ +. 1]" 1
4 1 4 GLY QA 1 5 GLY H . . 4.600 2.450 2.130 2.889 . 0 0 "[ . 1]" 1
5 1 5 GLY QA 1 6 GLU H . . 5.600 2.448 2.149 2.879 . 0 0 "[ . 1]" 1
6 1 6 GLU H 1 7 ALA H . . 3.000 2.377 1.830 2.881 . 0 0 "[ . 1]" 1
7 1 6 GLU H 1 7 ALA HA . . 4.000 4.399 4.059 4.536 0.536 4 3 "[ +. * -]" 1
8 1 6 GLU HA 1 7 ALA H . . 4.000 3.254 2.549 3.584 . 0 0 "[ . 1]" 1
9 1 6 GLU HA 1 9 LYS H . . 4.000 4.162 3.559 4.548 0.548 8 1 "[ . + 1]" 1
10 1 6 GLU QG 1 7 ALA HA . . 6.000 5.396 3.662 5.945 . 0 0 "[ . 1]" 1
11 1 6 GLU QG 1 47 TYR CZ . . 8.200 14.732 11.913 16.465 8.265 3 10 [*-+*******] 1
12 1 7 ALA H 1 8 LEU H . . 4.000 3.817 3.323 4.444 0.444 5 0 "[ . 1]" 1
13 1 7 ALA H 1 77 LEU QB . . 5.000 5.165 4.733 5.562 0.562 3 2 "[ + .- 1]" 1
14 1 7 ALA HA 1 8 LEU H . . 4.000 3.534 3.424 3.591 . 0 0 "[ . 1]" 1
15 1 7 ALA HA 1 9 LYS H . . 5.000 4.739 4.634 4.831 . 0 0 "[ . 1]" 1
16 1 7 ALA HA 1 77 LEU QB . . 4.000 3.344 2.633 4.403 0.403 3 0 "[ . 1]" 1
17 1 7 ALA HA 1 80 ALA MB . . 5.000 5.362 4.446 6.317 1.317 3 4 "[ + -* * 1]" 1
18 1 7 ALA MB 1 8 LEU H . . 5.000 1.879 1.616 2.541 . 0 0 "[ . 1]" 1
19 1 7 ALA MB 1 9 LYS H . . 6.000 3.320 2.866 4.049 . 0 0 "[ . 1]" 1
20 1 7 ALA MB 1 80 ALA H . . 5.000 5.856 5.046 6.841 1.841 5 8 "[**- +****1]" 1
21 1 7 ALA MB 1 81 ARG QD . . 7.000 2.906 2.085 4.065 . 0 0 "[ . 1]" 1
22 1 8 LEU H 1 8 LEU HG . . 5.000 2.481 1.947 4.825 . 0 0 "[ . 1]" 1
23 1 8 LEU H 1 9 LYS H . . 3.000 2.019 1.755 2.325 . 0 0 "[ . 1]" 1
24 1 8 LEU H 1 9 LYS QG . . 6.000 4.799 3.347 5.421 . 0 0 "[ . 1]" 1
25 1 8 LEU H 1 77 LEU HB2 . . 4.000 4.410 4.237 4.487 0.487 5 0 "[ . 1]" 1
26 1 8 LEU H 1 77 LEU HB3 . . 4.000 3.621 3.224 4.272 0.272 5 0 "[ . 1]" 1
27 1 8 LEU H 1 77 LEU QD . . 7.400 3.830 3.196 4.257 . 0 0 "[ . 1]" 1
28 1 8 LEU H 1 78 LEU QB . . 5.000 6.927 6.462 7.324 2.324 7 10 [******+**-] 1
29 1 8 LEU HA 1 9 LYS H . . 5.000 3.154 2.911 3.451 . 0 0 "[ . 1]" 1
30 1 8 LEU HA 1 13 PHE CZ . . 7.200 6.263 6.091 6.480 . 0 0 "[ . 1]" 1
31 1 8 LEU HA 1 13 PHE HZ . . 5.000 5.532 5.509 5.549 0.549 1 10 [+-********] 1
32 1 8 LEU HA 1 33 LEU QD . . 7.400 5.136 4.445 5.492 . 0 0 "[ . 1]" 1
33 1 8 LEU HA 1 77 LEU HB2 . . 5.000 4.577 3.842 5.113 0.113 7 0 "[ . 1]" 1
34 1 8 LEU HA 1 77 LEU HB3 . . 5.000 4.456 3.833 5.097 0.097 7 0 "[ . 1]" 1
35 1 8 LEU QB 1 13 PHE HZ . . 6.000 3.478 2.933 5.089 . 0 0 "[ . 1]" 1
36 1 8 LEU QB 1 35 ALA H . . 6.000 5.300 3.559 5.809 . 0 0 "[ . 1]" 1
37 1 8 LEU QB 1 77 LEU H . . 5.000 4.570 4.408 4.695 . 0 0 "[ . 1]" 1
38 1 8 LEU QB 1 77 LEU QB . . 6.000 2.493 1.850 2.925 . 0 0 "[ . 1]" 1
39 1 8 LEU QB 1 77 LEU QD . . 8.400 2.540 1.772 3.143 . 0 0 "[ . 1]" 1
40 1 8 LEU HB2 1 9 LYS H . . 5.000 4.246 3.977 4.417 . 0 0 "[ . 1]" 1
41 1 8 LEU HB3 1 9 LYS H . . 5.000 4.394 2.989 4.668 . 0 0 "[ . 1]" 1
42 1 8 LEU HG 1 13 PHE CZ . . 7.200 6.031 4.093 6.580 . 0 0 "[ . 1]" 1
43 1 8 LEU HG 1 33 LEU HG . . 5.000 2.749 2.507 3.099 . 0 0 "[ . 1]" 1
44 1 8 LEU HG 1 35 ALA H . . 5.000 5.237 4.979 5.574 0.574 8 2 "[ . +-1]" 1
45 1 8 LEU HG 1 35 ALA MB . . 6.000 4.286 3.867 4.505 . 0 0 "[ . 1]" 1
46 1 8 LEU HG 1 49 VAL QG . . 7.400 7.290 5.899 7.949 0.549 9 1 "[ . +1]" 1
47 1 9 LYS H 1 9 LYS QD . . 6.000 4.208 3.131 4.553 . 0 0 "[ . 1]" 1
48 1 9 LYS H 1 9 LYS HG2 . . 5.000 4.332 3.052 4.618 . 0 0 "[ . 1]" 1
49 1 9 LYS H 1 9 LYS HG3 . . 5.000 3.808 2.465 4.445 . 0 0 "[ . 1]" 1
50 1 9 LYS H 1 34 GLY QA . . 6.000 4.866 3.954 5.623 . 0 0 "[ . 1]" 1
51 1 9 LYS H 1 35 ALA MB . . 6.000 4.485 4.053 4.879 . 0 0 "[ . 1]" 1
52 1 9 LYS H 1 77 LEU QB . . 6.000 5.117 4.788 5.454 . 0 0 "[ . 1]" 1
53 1 9 LYS HA 1 10 GLY H . . 3.000 2.545 2.473 2.614 . 0 0 "[ . 1]" 1
54 1 9 LYS HA 1 11 LEU H . . 4.000 3.017 2.924 3.153 . 0 0 "[ . 1]" 1
55 1 9 LYS HA 1 33 LEU HG . . 5.000 5.510 5.288 5.559 0.559 1 9 "[+* ******-]" 1
56 1 9 LYS QB 1 34 GLY QA . . 7.000 3.159 2.212 4.096 . 0 0 "[ . 1]" 1
57 1 9 LYS QB 1 35 ALA H . . 6.000 3.927 3.065 4.789 . 0 0 "[ . 1]" 1
58 1 9 LYS QD 1 10 GLY H . . 6.000 3.801 2.540 4.947 . 0 0 "[ . 1]" 1
59 1 9 LYS QD 1 34 GLY QA . . 7.000 2.559 2.033 4.119 . 0 0 "[ . 1]" 1
60 1 9 LYS QG 1 33 LEU QD . . 8.400 5.386 4.183 5.886 . 0 0 "[ . 1]" 1
61 1 9 LYS QG 1 34 GLY QA . . 7.000 2.532 2.107 3.944 . 0 0 "[ . 1]" 1
62 1 9 LYS QG 1 35 ALA H . . 6.000 3.210 2.043 5.195 . 0 0 "[ . 1]" 1
63 1 9 LYS HG2 1 10 GLY H . . 5.000 2.427 1.773 4.544 . 0 0 "[ . 1]" 1
64 1 9 LYS HG3 1 10 GLY H . . 5.000 3.041 2.147 4.304 . 0 0 "[ . 1]" 1
65 1 10 GLY H 1 11 LEU H . . 4.000 2.672 2.468 2.892 . 0 0 "[ . 1]" 1
66 1 10 GLY QA 1 35 ALA MB . . 7.000 5.269 4.916 5.751 . 0 0 "[ . 1]" 1
67 1 10 GLY HA2 1 11 LEU H . . 4.000 3.385 3.276 3.468 . 0 0 "[ . 1]" 1
68 1 10 GLY HA3 1 11 LEU H . . 4.000 3.176 3.064 3.319 . 0 0 "[ . 1]" 1
69 1 11 LEU H 1 35 ALA HA . . 4.000 3.377 2.920 3.711 . 0 0 "[ . 1]" 1
70 1 11 LEU H 1 36 LYS QB . . 5.000 5.664 5.037 6.002 1.002 4 7 "[ **+.-* **]" 1
71 1 11 LEU HA 1 12 THR H . . 3.000 2.427 2.270 2.555 . 0 0 "[ . 1]" 1
72 1 11 LEU HA 1 13 PHE CZ . . 7.200 6.652 5.715 7.292 0.092 10 0 "[ . 1]" 1
73 1 11 LEU HA 1 46 SER QB . . 5.000 9.626 8.154 10.330 5.330 5 10 [****+***-*] 1
74 1 11 LEU QB 1 12 THR H . . 4.600 2.418 2.144 2.767 . 0 0 "[ . 1]" 1
75 1 11 LEU QB 1 13 PHE CG . . 8.200 4.689 4.373 5.000 . 0 0 "[ . 1]" 1
76 1 11 LEU QB 1 13 PHE CZ . . 8.200 3.755 2.939 4.305 . 0 0 "[ . 1]" 1
77 1 11 LEU QB 1 46 SER QB . . 6.000 8.989 7.591 9.819 3.819 5 10 [****+***-*] 1
78 1 11 LEU QB 1 47 TYR CG . . 8.200 5.397 4.531 6.050 . 0 0 "[ . 1]" 1
79 1 11 LEU QB 1 47 TYR CZ . . 8.200 6.041 4.520 7.124 . 0 0 "[ . 1]" 1
80 1 11 LEU QB 1 47 TYR QB . . 6.000 4.661 4.273 4.979 . 0 0 "[ . 1]" 1
81 1 12 THR H 1 12 THR HB . . 4.000 2.522 2.390 2.791 . 0 0 "[ . 1]" 1
82 1 12 THR H 1 46 SER QB . . 5.000 8.189 6.967 8.795 3.795 5 10 [****+***-*] 1
83 1 12 THR H 1 47 TYR H . . 5.000 6.595 5.569 7.035 2.035 4 10 [***+****-*] 1
84 1 12 THR HA 1 13 PHE CG . . 7.200 4.818 4.530 5.137 . 0 0 "[ . 1]" 1
85 1 12 THR HA 1 13 PHE H . . 4.000 2.248 2.197 2.328 . 0 0 "[ . 1]" 1
86 1 12 THR HA 1 35 ALA HA . . 5.000 4.352 3.822 5.374 0.374 1 0 "[ . 1]" 1
87 1 12 THR HA 1 36 LYS H . . 5.000 2.923 2.365 3.302 . 0 0 "[ . 1]" 1
88 1 12 THR HA 1 36 LYS QB . . 5.000 2.805 2.289 3.203 . 0 0 "[ . 1]" 1
89 1 12 THR HB 1 13 PHE H . . 5.000 4.154 3.995 4.329 . 0 0 "[ . 1]" 1
90 1 12 THR HB 1 36 LYS QB . . 6.000 4.288 3.979 4.950 . 0 0 "[ . 1]" 1
91 1 12 THR HB 1 45 THR HA . . 4.000 4.130 3.750 4.430 0.430 4 0 "[ . 1]" 1
92 1 12 THR HB 1 46 SER H . . 4.000 5.099 4.475 6.701 2.701 1 9 "[+ *****-**]" 1
93 1 12 THR HB 1 46 SER QB . . 6.000 7.083 6.110 7.451 1.451 10 9 "[*-****** +]" 1
94 1 12 THR MG 1 13 PHE H . . 6.000 2.333 2.077 2.637 . 0 0 "[ . 1]" 1
95 1 12 THR MG 1 36 LYS H . . 6.000 4.354 3.819 4.905 . 0 0 "[ . 1]" 1
96 1 12 THR MG 1 37 VAL HA . . 6.000 3.313 2.640 4.042 . 0 0 "[ . 1]" 1
97 1 12 THR MG 1 38 THR H . . 6.000 3.888 3.438 4.194 . 0 0 "[ . 1]" 1
98 1 12 THR MG 1 38 THR HB . . 6.000 3.949 3.486 4.421 . 0 0 "[ . 1]" 1
99 1 12 THR MG 1 45 THR HA . . 6.000 3.542 3.191 3.847 . 0 0 "[ . 1]" 1
100 1 12 THR MG 1 46 SER H . . 6.000 4.603 4.083 5.366 . 0 0 "[ . 1]" 1
101 1 13 PHE CG 1 27 LYS QE . . 8.200 5.442 4.475 6.153 . 0 0 "[ . 1]" 1
102 1 13 PHE CG 1 35 ALA HA . . 7.200 6.594 5.553 7.386 0.186 1 0 "[ . 1]" 1
103 1 13 PHE CZ 1 13 PHE HA . . 6.000 4.823 4.751 4.940 . 0 0 "[ . 1]" 1
104 1 13 PHE CZ 1 35 ALA HA . . 7.200 6.807 6.132 7.149 . 0 0 "[ . 1]" 1
105 1 13 PHE CZ 1 35 ALA MB . . 8.200 4.106 3.886 4.393 . 0 0 "[ . 1]" 1
106 1 13 PHE CZ 1 47 TYR HB2 . . 7.200 6.564 5.730 7.282 0.082 8 0 "[ . 1]" 1
107 1 13 PHE CZ 1 47 TYR HB3 . . 7.200 5.894 5.445 6.329 . 0 0 "[ . 1]" 1
108 1 13 PHE CZ 1 49 VAL QG . . 9.600 3.716 3.379 4.543 . 0 0 "[ . 1]" 1
109 1 13 PHE CZ 1 69 LEU QB . . 8.200 3.871 3.463 4.148 . 0 0 "[ . 1]" 1
110 1 13 PHE CZ 1 74 LEU QD . . 9.600 3.462 2.487 4.758 . 0 0 "[ . 1]" 1
111 1 13 PHE H 1 27 LYS QE . . 6.000 5.214 4.588 5.657 . 0 0 "[ . 1]" 1
112 1 13 PHE H 1 35 ALA MB . . 6.000 3.716 3.206 4.678 . 0 0 "[ . 1]" 1
113 1 13 PHE H 1 37 VAL HA . . 4.000 2.784 1.818 3.457 . 0 0 "[ . 1]" 1
114 1 13 PHE H 1 38 THR H . . 5.000 4.260 3.587 4.482 . 0 0 "[ . 1]" 1
115 1 13 PHE HA 1 14 VAL H . . 3.000 2.193 2.137 2.247 . 0 0 "[ . 1]" 1
116 1 13 PHE HA 1 14 VAL HA . . 5.000 4.456 4.406 4.485 . 0 0 "[ . 1]" 1
117 1 13 PHE HA 1 14 VAL HB . . 5.000 4.879 4.146 5.657 0.657 9 2 "[ . - +1]" 1
118 1 13 PHE HA 1 14 VAL QG . . 7.400 3.487 3.133 4.259 . 0 0 "[ . 1]" 1
119 1 13 PHE HA 1 27 LYS QE . . 6.000 5.633 4.863 5.927 . 0 0 "[ . 1]" 1
120 1 13 PHE HA 1 47 TYR H . . 5.000 5.203 4.812 5.507 0.507 8 1 "[ . + 1]" 1
121 1 13 PHE HA 1 47 TYR QB . . 6.000 2.952 2.490 3.361 . 0 0 "[ . 1]" 1
122 1 13 PHE HA 1 60 LYS QG . . 6.000 7.813 7.309 8.262 2.262 2 10 [*+******-*] 1
123 1 14 VAL H 1 14 VAL HB . . 4.000 2.967 2.553 3.895 . 0 0 "[ . 1]" 1
124 1 14 VAL H 1 27 LYS QE . . 6.000 5.387 4.881 5.855 . 0 0 "[ . 1]" 1
125 1 14 VAL H 1 48 LEU HA . . 4.000 2.468 1.904 3.743 . 0 0 "[ . 1]" 1
126 1 14 VAL H 1 49 VAL H . . 4.000 3.196 2.717 3.700 . 0 0 "[ . 1]" 1
127 1 14 VAL H 1 60 LYS QE . . 6.000 5.170 4.392 7.256 1.256 9 1 "[ . +1]" 1
128 1 14 VAL H 1 60 LYS QG . . 6.000 6.368 5.950 6.944 0.944 2 3 "[ +* .- 1]" 1
129 1 14 VAL HA 1 15 ILE H . . 4.000 2.301 2.230 2.407 . 0 0 "[ . 1]" 1
130 1 14 VAL HA 1 15 ILE HB . . 5.000 5.097 4.364 5.575 0.575 4 4 "[ +.*- *]" 1
131 1 14 VAL HA 1 38 THR H . . 4.000 2.501 2.232 2.799 . 0 0 "[ . 1]" 1
132 1 14 VAL HA 1 39 ASP HA . . 4.000 3.458 3.089 3.824 . 0 0 "[ . 1]" 1
133 1 14 VAL HA 1 39 ASP QB . . 6.000 4.731 4.434 4.901 . 0 0 "[ . 1]" 1
134 1 14 VAL HB 1 15 ILE H . . 5.000 3.548 2.511 4.164 . 0 0 "[ . 1]" 1
135 1 14 VAL HB 1 39 ASP HA . . 4.000 4.120 2.529 4.482 0.482 1 0 "[ . 1]" 1
136 1 14 VAL HB 1 48 LEU HA . . 4.000 3.427 2.489 4.520 0.520 9 1 "[ . +1]" 1
137 1 14 VAL HB 1 49 VAL H . . 5.000 4.957 4.220 5.764 0.764 1 3 "[+ . - *1]" 1
138 1 14 VAL QG 1 15 ILE H . . 7.400 2.279 1.906 3.201 . 0 0 "[ . 1]" 1
139 1 14 VAL QG 1 15 ILE HB . . 7.400 4.509 4.068 5.168 . 0 0 "[ . 1]" 1
140 1 14 VAL QG 1 16 THR H . . 7.400 4.272 3.661 4.769 . 0 0 "[ . 1]" 1
141 1 14 VAL QG 1 38 THR H . . 7.400 3.052 2.253 3.493 . 0 0 "[ . 1]" 1
142 1 14 VAL QG 1 40 SER HA . . 7.400 3.669 3.137 5.215 . 0 0 "[ . 1]" 1
143 1 14 VAL QG 1 40 SER QB . . 8.400 4.264 3.852 5.207 . 0 0 "[ . 1]" 1
144 1 14 VAL QG 1 41 VAL H . . 7.400 4.586 3.957 5.624 . 0 0 "[ . 1]" 1
145 1 14 VAL QG 1 41 VAL HA . . 7.400 3.903 3.474 4.401 . 0 0 "[ . 1]" 1
146 1 14 VAL QG 1 42 SER H . . 7.400 5.389 5.025 5.684 . 0 0 "[ . 1]" 1
147 1 14 VAL QG 1 45 THR HB . . 7.400 3.586 2.253 4.245 . 0 0 "[ . 1]" 1
148 1 14 VAL QG 1 47 TYR H . . 7.400 2.599 1.798 3.456 . 0 0 "[ . 1]" 1
149 1 14 VAL QG 1 48 LEU QB . . 8.400 3.397 1.952 4.794 . 0 0 "[ . 1]" 1
150 1 15 ILE H 1 15 ILE HB . . 4.000 3.062 2.520 3.577 . 0 0 "[ . 1]" 1
151 1 15 ILE H 1 38 THR H . . 5.000 4.049 3.830 4.355 . 0 0 "[ . 1]" 1
152 1 15 ILE H 1 38 THR HA . . 5.000 5.278 5.084 5.516 0.516 9 1 "[ . +1]" 1
153 1 15 ILE HA 1 16 THR H . . 3.000 2.276 2.191 2.329 . 0 0 "[ . 1]" 1
154 1 15 ILE HA 1 16 THR HB . . 4.000 4.451 4.370 4.513 0.513 10 2 "[ - +]" 1
155 1 15 ILE HA 1 16 THR MG . . 6.000 5.279 4.339 5.500 . 0 0 "[ . 1]" 1
156 1 15 ILE HA 1 48 LEU QB . . 6.000 4.317 3.677 5.027 . 0 0 "[ . 1]" 1
157 1 15 ILE HA 1 49 VAL H . . 4.000 3.665 3.181 3.921 . 0 0 "[ . 1]" 1
158 1 15 ILE HA 1 49 VAL HB . . 3.000 5.741 4.740 6.222 3.222 3 10 [**+******-] 1
159 1 15 ILE HB 1 23 ARG QD . . 6.000 3.121 2.175 4.090 . 0 0 "[ . 1]" 1
160 1 15 ILE MD 1 23 ARG QD . . 7.000 3.216 1.835 4.291 . 0 0 "[ . 1]" 1
161 1 15 ILE MD 1 23 ARG HE . . 6.000 5.252 3.751 6.098 0.098 2 0 "[ . 1]" 1
162 1 15 ILE MD 1 24 GLU HA . . 6.000 4.994 4.017 5.431 . 0 0 "[ . 1]" 1
163 1 15 ILE MD 1 27 LYS H . . 6.000 4.752 4.225 5.195 . 0 0 "[ . 1]" 1
164 1 15 ILE MD 1 27 LYS HA . . 6.000 4.276 3.879 4.618 . 0 0 "[ . 1]" 1
165 1 15 ILE MD 1 27 LYS QE . . 7.000 2.175 1.857 3.041 . 0 0 "[ . 1]" 1
166 1 15 ILE MD 1 30 LEU HG . . 6.000 5.279 4.762 5.554 . 0 0 "[ . 1]" 1
167 1 15 ILE MD 1 37 VAL HA . . 6.000 4.976 3.915 5.444 . 0 0 "[ . 1]" 1
168 1 15 ILE MD 1 69 LEU QB . . 7.000 7.781 6.451 9.438 2.438 4 4 "[ +. *- *]" 1
169 1 15 ILE MD 1 71 GLU HA . . 6.000 7.939 6.563 9.377 3.377 4 10 [*-*+******] 1
170 1 15 ILE MG 1 16 THR H . . 6.000 3.013 2.403 3.628 . 0 0 "[ . 1]" 1
171 1 15 ILE MG 1 16 THR HA . . 6.000 4.867 4.099 5.563 . 0 0 "[ . 1]" 1
172 1 15 ILE MG 1 18 GLU HA . . 6.000 3.379 2.036 5.360 . 0 0 "[ . 1]" 1
173 1 15 ILE MG 1 23 ARG QB . . 7.000 1.973 1.791 2.149 . 0 0 "[ . 1]" 1
174 1 15 ILE MG 1 23 ARG QD . . 7.000 2.557 1.974 3.240 . 0 0 "[ . 1]" 1
175 1 15 ILE MG 1 49 VAL HB . . 6.000 4.962 2.998 6.542 0.542 8 1 "[ . + 1]" 1
176 1 16 THR H 1 16 THR HA . . 3.000 2.843 2.800 2.875 . 0 0 "[ . 1]" 1
177 1 16 THR H 1 17 GLY QA . . 5.600 5.209 4.765 5.389 . 0 0 "[ . 1]" 1
178 1 16 THR H 1 49 VAL HB . . 4.000 7.436 6.503 7.964 3.964 8 10 [*******+*-] 1
179 1 16 THR H 1 50 VAL QG . . 7.400 6.570 6.072 7.040 . 0 0 "[ . 1]" 1
180 1 16 THR HA 1 17 GLY H . . 3.000 2.508 2.246 3.315 0.315 7 0 "[ . 1]" 1
181 1 16 THR HA 1 17 GLY QA . . 5.600 4.036 3.967 4.259 . 0 0 "[ . 1]" 1
182 1 16 THR HB 1 17 GLY H . . 5.000 4.499 4.071 4.625 . 0 0 "[ . 1]" 1
183 1 16 THR HB 1 48 LEU QD . . 7.400 2.701 2.097 3.035 . 0 0 "[ . 1]" 1
184 1 16 THR MG 1 17 GLY QA . . 6.600 3.418 3.146 3.619 . 0 0 "[ . 1]" 1
185 1 16 THR MG 1 48 LEU QD . . 8.400 3.712 3.305 3.966 . 0 0 "[ . 1]" 1
186 1 16 THR MG 1 50 VAL HB . . 6.000 10.141 9.218 10.668 4.668 10 10 [*-*******+] 1
187 1 16 THR MG 1 51 GLY H . . 6.000 8.064 6.569 8.870 2.870 10 10 [*-*******+] 1
188 1 16 THR MG 1 54 PRO HA . . 6.000 8.772 8.262 9.157 3.157 3 10 [*-+*******] 1
189 1 16 THR MG 1 54 PRO QD . . 7.000 9.102 7.670 9.600 2.600 3 10 [*-+*******] 1
190 1 16 THR MG 1 55 GLY H . . 6.000 7.461 6.451 7.877 1.877 3 9 "[* +***-***]" 1
191 1 16 THR MG 1 56 SER QB . . 7.000 2.044 1.841 2.424 . 0 0 "[ . 1]" 1
192 1 16 THR MG 1 57 LYS HA . . 6.000 3.058 2.624 3.466 . 0 0 "[ . 1]" 1
193 1 16 THR MG 1 58 LEU H . . 6.000 4.728 4.373 4.988 . 0 0 "[ . 1]" 1
194 1 17 GLY QA 1 18 GLU HA . . 5.600 4.235 4.065 4.478 . 0 0 "[ . 1]" 1
195 1 17 GLY QA 1 50 VAL QG . . 8.400 9.533 9.133 9.922 1.522 10 10 [******-**+] 1
196 1 17 GLY QA 1 52 GLU H . . 5.000 10.958 10.096 11.549 6.549 10 10 [*-*******+] 1
197 1 17 GLY QA 1 53 ASN H . . 6.000 13.036 12.449 13.507 7.507 10 10 [-********+] 1
198 1 17 GLY HA2 1 18 GLU H . . 5.000 3.225 2.815 3.568 . 0 0 "[ . 1]" 1
199 1 17 GLY HA3 1 18 GLU H . . 5.000 2.973 2.410 3.554 . 0 0 "[ . 1]" 1
200 1 18 GLU H 1 51 GLY QA . . 6.000 9.070 6.959 10.920 4.920 6 10 [*****+-***] 1
201 1 18 GLU H 1 52 GLU H . . 5.000 9.717 8.611 10.533 5.533 10 10 [*-*******+] 1
202 1 18 GLU H 1 54 PRO QD . . 6.000 11.450 10.112 12.838 6.838 10 10 [*-*******+] 1
203 1 18 GLU HA 1 19 LEU H . . 3.000 2.411 2.135 3.299 0.299 1 0 "[ . 1]" 1
204 1 18 GLU HA 1 19 LEU QB . . 5.600 4.363 3.743 4.708 . 0 0 "[ . 1]" 1
205 1 18 GLU HA 1 51 GLY QA . . 5.000 8.324 7.028 10.160 5.160 2 10 [*+*****-**] 1
206 1 18 GLU QB 1 22 PRO HA . . 5.000 6.861 5.367 9.740 4.740 2 9 "[*+***** *-]" 1
207 1 18 GLU QB 1 23 ARG H . . 5.000 5.645 4.271 8.318 3.318 2 5 "[ +- .** *1]" 1
208 1 18 GLU QB 1 24 GLU H . . 5.000 6.700 4.852 9.554 4.554 2 7 "[*+* -** *1]" 1
209 1 18 GLU QG 1 19 LEU H . . 6.000 4.211 3.327 4.557 . 0 0 "[ . 1]" 1
210 1 19 LEU H 1 19 LEU HB2 . . 4.000 2.479 2.111 3.189 . 0 0 "[ . 1]" 1
211 1 19 LEU H 1 19 LEU HB3 . . 4.000 3.597 3.351 4.058 0.058 1 0 "[ . 1]" 1
212 1 19 LEU HA 1 20 SER H . . 4.000 3.043 2.473 3.485 . 0 0 "[ . 1]" 1
213 1 19 LEU QB 1 21 ARG QB . . 5.000 3.107 2.650 3.903 . 0 0 "[ . 1]" 1
214 1 19 LEU QB 1 23 ARG H . . 5.000 4.562 4.283 4.957 . 0 0 "[ . 1]" 1
215 1 19 LEU QB 1 51 GLY QA . . 7.000 3.544 2.127 4.856 . 0 0 "[ . 1]" 1
216 1 19 LEU QB 1 71 GLU QB . . 5.000 6.361 5.938 6.870 1.870 10 10 [*****-***+] 1
217 1 19 LEU HB2 1 20 SER H . . 4.000 3.417 2.356 3.909 . 0 0 "[ . 1]" 1
218 1 19 LEU HB2 1 20 SER QB . . 5.600 5.062 4.160 5.511 . 0 0 "[ . 1]" 1
219 1 19 LEU HB2 1 21 ARG H . . 4.000 3.355 1.980 4.133 0.133 1 0 "[ . 1]" 1
220 1 19 LEU HB3 1 20 SER H . . 4.000 3.025 1.860 4.319 0.319 3 0 "[ . 1]" 1
221 1 19 LEU HB3 1 20 SER QB . . 5.600 4.216 3.839 4.691 . 0 0 "[ . 1]" 1
222 1 19 LEU HB3 1 21 ARG H . . 4.000 3.585 2.066 4.409 0.409 3 0 "[ . 1]" 1
223 1 19 LEU QD 1 20 SER H . . 7.400 3.756 2.451 4.351 . 0 0 "[ . 1]" 1
224 1 19 LEU QD 1 21 ARG H . . 7.400 4.172 2.912 4.822 . 0 0 "[ . 1]" 1
225 1 19 LEU QD 1 51 GLY HA2 . . 7.400 3.801 2.971 4.758 . 0 0 "[ . 1]" 1
226 1 19 LEU QD 1 51 GLY HA3 . . 7.400 2.948 2.320 3.813 . 0 0 "[ . 1]" 1
227 1 19 LEU QD 1 52 GLU QB . . 8.400 4.121 1.925 5.190 . 0 0 "[ . 1]" 1
228 1 19 LEU QD 1 71 GLU H . . 7.400 5.599 5.323 5.816 . 0 0 "[ . 1]" 1
229 1 19 LEU QD 1 71 GLU QB . . 8.400 4.325 3.947 4.752 . 0 0 "[ . 1]" 1
230 1 20 SER H 1 21 ARG H . . 4.000 2.570 2.184 3.596 . 0 0 "[ . 1]" 1
231 1 20 SER QB 1 21 ARG H . . 5.600 3.766 3.361 4.058 . 0 0 "[ . 1]" 1
232 1 21 ARG H 1 22 PRO HA . . 5.000 5.135 4.903 5.484 0.484 4 0 "[ . 1]" 1
233 1 21 ARG H 1 23 ARG QB . . 5.000 4.223 3.833 4.694 . 0 0 "[ . 1]" 1
234 1 21 ARG HA 1 22 PRO HD2 . . 5.000 2.763 2.560 2.900 . 0 0 "[ . 1]" 1
235 1 21 ARG HA 1 22 PRO HD3 . . 5.000 2.527 2.404 2.652 . 0 0 "[ . 1]" 1
236 1 21 ARG QB 1 22 PRO HA . . 5.600 4.542 4.431 4.939 . 0 0 "[ . 1]" 1
237 1 21 ARG QB 1 22 PRO HD2 . . 5.600 1.880 1.764 2.065 . 0 0 "[ . 1]" 1
238 1 21 ARG QB 1 22 PRO HD3 . . 5.600 3.211 2.913 3.340 . 0 0 "[ . 1]" 1
239 1 22 PRO HA 1 23 ARG H . . 3.000 2.709 2.194 2.961 . 0 0 "[ . 1]" 1
240 1 22 PRO HA 1 24 GLU H . . 5.000 3.175 3.103 3.330 . 0 0 "[ . 1]" 1
241 1 22 PRO HA 1 24 GLU QB . . 5.000 4.230 4.041 4.565 . 0 0 "[ . 1]" 1
242 1 22 PRO QB 1 23 ARG H . . 4.600 3.932 3.697 3.997 . 0 0 "[ . 1]" 1
243 1 22 PRO QB 1 24 GLU H . . 6.000 3.687 3.462 3.899 . 0 0 "[ . 1]" 1
244 1 22 PRO QB 1 25 GLU H . . 5.000 2.975 2.566 3.391 . 0 0 "[ . 1]" 1
245 1 22 PRO QD 1 25 GLU QB . . 7.000 5.053 4.430 5.449 . 0 0 "[ . 1]" 1
246 1 23 ARG H 1 23 ARG HB2 . . 4.000 3.521 2.686 3.648 . 0 0 "[ . 1]" 1
247 1 23 ARG H 1 23 ARG HB3 . . 4.000 2.611 2.248 3.620 . 0 0 "[ . 1]" 1
248 1 23 ARG H 1 24 GLU H . . 4.000 2.908 2.374 3.089 . 0 0 "[ . 1]" 1
249 1 23 ARG HA 1 24 GLU H . . 5.000 3.439 3.402 3.464 . 0 0 "[ . 1]" 1
250 1 23 ARG HA 1 27 LYS H . . 4.000 3.865 3.685 4.026 0.026 1 0 "[ . 1]" 1
251 1 23 ARG QB 1 24 GLU H . . 4.600 3.688 3.300 3.768 . 0 0 "[ . 1]" 1
252 1 23 ARG HE 1 49 VAL HA . . 5.000 12.563 9.291 13.765 8.765 9 10 [********+-] 1
253 1 23 ARG QG 1 27 LYS H . . 6.000 5.487 4.869 6.113 0.113 10 0 "[ . 1]" 1
254 1 24 GLU H 1 25 GLU H . . 4.000 2.464 2.360 2.583 . 0 0 "[ . 1]" 1
255 1 24 GLU HA 1 25 GLU H . . 4.000 3.539 3.533 3.555 . 0 0 "[ . 1]" 1
256 1 24 GLU HA 1 27 LYS H . . 5.000 3.485 3.286 3.697 . 0 0 "[ . 1]" 1
257 1 25 GLU H 1 26 VAL H . . 3.000 2.902 2.855 2.960 . 0 0 "[ . 1]" 1
258 1 25 GLU HA 1 28 ALA MB . . 5.000 3.144 2.713 3.421 . 0 0 "[ . 1]" 1
259 1 25 GLU QB 1 26 VAL H . . 4.600 2.392 2.164 3.221 . 0 0 "[ . 1]" 1
260 1 26 VAL H 1 26 VAL HB . . 3.000 2.485 2.312 2.758 . 0 0 "[ . 1]" 1
261 1 26 VAL H 1 27 LYS H . . 4.000 2.707 2.611 2.792 . 0 0 "[ . 1]" 1
262 1 26 VAL HA 1 27 LYS H . . 4.000 3.541 3.518 3.572 . 0 0 "[ . 1]" 1
263 1 26 VAL HA 1 29 LEU H . . 4.000 3.188 2.966 3.527 . 0 0 "[ . 1]" 1
264 1 26 VAL HA 1 29 LEU HB2 . . 5.000 2.629 2.190 3.411 . 0 0 "[ . 1]" 1
265 1 26 VAL HA 1 29 LEU HB3 . . 5.000 3.655 3.265 4.267 . 0 0 "[ . 1]" 1
266 1 26 VAL HA 1 30 LEU QB . . 6.000 4.655 4.195 5.437 . 0 0 "[ . 1]" 1
267 1 26 VAL HB 1 27 LYS H . . 4.000 3.950 3.844 4.116 0.116 4 0 "[ . 1]" 1
268 1 26 VAL HB 1 75 TYR CZ . . 7.200 6.317 4.700 7.965 0.765 6 2 "[- .+ 1]" 1
269 1 26 VAL QG 1 27 LYS H . . 7.400 2.040 1.799 2.227 . 0 0 "[ . 1]" 1
270 1 26 VAL QG 1 27 LYS HA . . 7.400 3.003 2.945 3.067 . 0 0 "[ . 1]" 1
271 1 26 VAL QG 1 27 LYS QE . . 8.400 3.292 2.773 3.939 . 0 0 "[ . 1]" 1
272 1 26 VAL QG 1 28 ALA H . . 7.400 4.040 3.886 4.172 . 0 0 "[ . 1]" 1
273 1 26 VAL QG 1 29 LEU QB . . 8.400 3.187 2.628 3.682 . 0 0 "[ . 1]" 1
274 1 26 VAL QG 1 30 LEU H . . 7.400 3.523 3.288 3.885 . 0 0 "[ . 1]" 1
275 1 26 VAL QG 1 37 VAL HB . . 7.400 5.780 5.289 5.981 . 0 0 "[ . 1]" 1
276 1 26 VAL QG 1 75 TYR CG . . 9.600 5.572 5.091 5.960 . 0 0 "[ . 1]" 1
277 1 26 VAL QG 1 75 TYR CZ . . 9.600 4.762 3.994 6.247 . 0 0 "[ . 1]" 1
278 1 26 VAL QG 1 79 GLU QG . . 8.400 7.617 6.767 9.196 0.796 9 1 "[ . +1]" 1
279 1 27 LYS H 1 28 ALA H . . 4.000 2.694 2.517 2.856 . 0 0 "[ . 1]" 1
280 1 27 LYS H 1 30 LEU QB . . 5.000 4.345 4.091 4.685 . 0 0 "[ . 1]" 1
281 1 27 LYS HA 1 28 ALA H . . 4.000 3.539 3.516 3.577 . 0 0 "[ . 1]" 1
282 1 27 LYS HA 1 30 LEU H . . 4.000 3.116 2.918 3.575 . 0 0 "[ . 1]" 1
283 1 27 LYS HA 1 30 LEU QB . . 6.000 2.188 2.003 2.764 . 0 0 "[ . 1]" 1
284 1 27 LYS HA 1 30 LEU HG . . 5.000 4.037 2.585 4.843 . 0 0 "[ . 1]" 1
285 1 27 LYS HA 1 31 ARG H . . 5.000 3.675 3.227 3.934 . 0 0 "[ . 1]" 1
286 1 27 LYS HA 1 37 VAL QG . . 7.400 3.146 2.861 3.542 . 0 0 "[ . 1]" 1
287 1 27 LYS QB 1 28 ALA H . . 4.600 2.725 2.538 2.916 . 0 0 "[ . 1]" 1
288 1 27 LYS QB 1 28 ALA HA . . 4.600 3.933 3.852 4.084 . 0 0 "[ . 1]" 1
289 1 27 LYS QE 1 30 LEU HG . . 6.000 3.472 2.075 5.022 . 0 0 "[ . 1]" 1
290 1 27 LYS QE 1 35 ALA MB . . 7.000 5.833 4.456 6.607 . 0 0 "[ . 1]" 1
291 1 27 LYS QE 1 37 VAL HA . . 6.000 3.693 2.904 4.268 . 0 0 "[ . 1]" 1
292 1 27 LYS QE 1 37 VAL HB . . 6.000 2.601 1.991 3.670 . 0 0 "[ . 1]" 1
293 1 27 LYS QE 1 49 VAL QG . . 8.400 3.267 2.392 4.028 . 0 0 "[ . 1]" 1
294 1 27 LYS QE 1 74 LEU QD . . 8.400 4.889 3.816 5.992 . 0 0 "[ . 1]" 1
295 1 27 LYS QG 1 30 LEU QB . . 7.000 3.693 3.188 4.525 . 0 0 "[ . 1]" 1
296 1 27 LYS QG 1 38 THR H . . 6.000 5.133 4.393 5.625 . 0 0 "[ . 1]" 1
297 1 28 ALA HA 1 29 LEU H . . 4.000 3.519 3.492 3.558 . 0 0 "[ . 1]" 1
298 1 28 ALA HA 1 31 ARG H . . 5.000 3.862 3.577 4.057 . 0 0 "[ . 1]" 1
299 1 28 ALA HA 1 31 ARG QD . . 6.000 4.685 2.751 5.747 . 0 0 "[ . 1]" 1
300 1 28 ALA MB 1 31 ARG QD . . 7.000 5.634 4.045 6.461 . 0 0 "[ . 1]" 1
301 1 29 LEU H 1 29 LEU HB2 . . 3.000 2.158 2.081 2.389 . 0 0 "[ . 1]" 1
302 1 29 LEU H 1 29 LEU HB3 . . 3.000 3.291 2.912 3.371 0.371 9 0 "[ . 1]" 1
303 1 29 LEU H 1 29 LEU HG . . 5.000 4.383 4.264 4.580 . 0 0 "[ . 1]" 1
304 1 29 LEU H 1 30 LEU H . . 3.000 2.342 2.226 2.524 . 0 0 "[ . 1]" 1
305 1 29 LEU H 1 32 ARG H . . 5.000 4.837 4.742 4.960 . 0 0 "[ . 1]" 1
306 1 29 LEU HA 1 30 LEU H . . 4.000 3.490 3.451 3.531 . 0 0 "[ . 1]" 1
307 1 29 LEU HA 1 31 ARG H . . 5.000 4.718 4.600 4.878 . 0 0 "[ . 1]" 1
308 1 29 LEU HA 1 32 ARG QD . . 6.000 4.280 2.725 5.332 . 0 0 "[ . 1]" 1
309 1 29 LEU QB 1 30 LEU H . . 4.600 2.944 2.851 3.010 . 0 0 "[ . 1]" 1
310 1 29 LEU QD 1 30 LEU H . . 7.400 4.123 3.979 4.276 . 0 0 "[ . 1]" 1
311 1 29 LEU QD 1 30 LEU HA . . 7.400 5.017 4.514 5.216 . 0 0 "[ . 1]" 1
312 1 29 LEU QD 1 30 LEU HB2 . . 7.400 5.525 5.335 5.890 . 0 0 "[ . 1]" 1
313 1 29 LEU QD 1 30 LEU HB3 . . 7.400 6.164 5.898 6.569 . 0 0 "[ . 1]" 1
314 1 29 LEU QD 1 33 LEU QB . . 8.400 4.854 3.760 5.338 . 0 0 "[ . 1]" 1
315 1 29 LEU QD 1 33 LEU QD . . 9.800 4.030 2.401 4.809 . 0 0 "[ . 1]" 1
316 1 29 LEU HG 1 30 LEU HA . . 5.000 5.874 4.821 6.479 1.479 4 9 "[***+*-* **]" 1
317 1 30 LEU H 1 30 LEU HG . . 5.000 4.274 2.500 4.710 . 0 0 "[ . 1]" 1
318 1 30 LEU H 1 31 ARG H . . 4.000 2.673 2.555 2.857 . 0 0 "[ . 1]" 1
319 1 30 LEU HA 1 31 ARG H . . 5.000 3.584 3.572 3.589 . 0 0 "[ . 1]" 1
320 1 30 LEU HA 1 33 LEU H . . 5.000 3.438 3.294 3.539 . 0 0 "[ . 1]" 1
321 1 30 LEU HA 1 33 LEU HB2 . . 5.000 2.804 2.525 3.158 . 0 0 "[ . 1]" 1
322 1 30 LEU HA 1 33 LEU HB3 . . 5.000 3.313 2.976 3.618 . 0 0 "[ . 1]" 1
323 1 30 LEU HA 1 33 LEU QD . . 7.400 3.364 2.970 3.566 . 0 0 "[ . 1]" 1
324 1 30 LEU QB 1 31 ARG H . . 4.600 2.367 2.269 2.547 . 0 0 "[ . 1]" 1
325 1 30 LEU QB 1 33 LEU H . . 6.000 4.757 4.556 4.859 . 0 0 "[ . 1]" 1
326 1 30 LEU QB 1 33 LEU QB . . 6.000 4.357 3.999 4.547 . 0 0 "[ . 1]" 1
327 1 30 LEU QB 1 78 LEU QD . . 8.400 4.780 3.716 5.103 . 0 0 "[ . 1]" 1
328 1 30 LEU HB2 1 33 LEU QD . . 7.400 5.287 4.624 5.674 . 0 0 "[ . 1]" 1
329 1 30 LEU HB3 1 33 LEU QD . . 7.400 5.496 4.815 5.877 . 0 0 "[ . 1]" 1
330 1 30 LEU HG 1 33 LEU QB . . 6.000 5.017 3.780 5.689 . 0 0 "[ . 1]" 1
331 1 30 LEU HG 1 33 LEU QD . . 7.400 5.204 3.476 6.270 . 0 0 "[ . 1]" 1
332 1 31 ARG H 1 37 VAL QG . . 7.400 2.718 2.166 3.482 . 0 0 "[ . 1]" 1
333 1 31 ARG HA 1 32 ARG H . . 5.000 3.531 3.519 3.546 . 0 0 "[ . 1]" 1
334 1 31 ARG HA 1 33 LEU H . . 5.000 3.981 3.675 4.137 . 0 0 "[ . 1]" 1
335 1 31 ARG HA 1 34 GLY H . . 5.000 4.069 3.784 4.373 . 0 0 "[ . 1]" 1
336 1 31 ARG QB 1 36 LYS HA . . 6.000 5.235 4.592 5.991 . 0 0 "[ . 1]" 1
337 1 31 ARG QB 1 37 VAL H . . 6.000 4.886 4.166 5.420 . 0 0 "[ . 1]" 1
338 1 31 ARG QB 1 37 VAL HA . . 6.000 5.835 5.035 6.991 0.991 1 1 "[+ . 1]" 1
339 1 32 ARG H 1 33 LEU H . . 4.000 2.657 2.581 2.716 . 0 0 "[ . 1]" 1
340 1 32 ARG H 1 33 LEU HA . . 5.000 5.334 5.264 5.383 0.383 8 0 "[ . 1]" 1
341 1 32 ARG HA 1 33 LEU H . . 5.000 3.500 3.464 3.529 . 0 0 "[ . 1]" 1
342 1 32 ARG QB 1 33 LEU H . . 5.600 2.741 2.651 2.862 . 0 0 "[ . 1]" 1
343 1 32 ARG QB 1 33 LEU QB . . 5.200 3.901 3.704 4.031 . 0 0 "[ . 1]" 1
344 1 33 LEU H 1 33 LEU HG . . 5.000 4.577 4.501 4.644 . 0 0 "[ . 1]" 1
345 1 33 LEU H 1 34 GLY H . . 4.000 2.912 2.765 3.002 . 0 0 "[ . 1]" 1
346 1 33 LEU H 1 34 GLY QA . . 5.600 4.719 4.585 4.809 . 0 0 "[ . 1]" 1
347 1 33 LEU HA 1 34 GLY H . . 5.000 3.155 3.004 3.250 . 0 0 "[ . 1]" 1
348 1 33 LEU HA 1 81 ARG QD . . 6.000 3.970 3.136 5.265 . 0 0 "[ . 1]" 1
349 1 33 LEU QD 1 35 ALA H . . 7.400 4.292 3.591 5.305 . 0 0 "[ . 1]" 1
350 1 33 LEU QD 1 79 GLU HA . . 7.400 5.509 5.049 5.831 . 0 0 "[ . 1]" 1
351 1 33 LEU QD 1 81 ARG HA . . 7.400 4.806 4.335 5.301 . 0 0 "[ . 1]" 1
352 1 33 LEU QD 1 81 ARG QB . . 8.400 2.446 2.034 2.851 . 0 0 "[ . 1]" 1
353 1 33 LEU QD 1 81 ARG QD . . 8.400 2.495 1.883 3.987 . 0 0 "[ . 1]" 1
354 1 33 LEU QD 1 82 THR H . . 7.400 3.923 3.476 4.280 . 0 0 "[ . 1]" 1
355 1 33 LEU HG 1 34 GLY H . . 5.000 5.055 4.828 5.754 0.754 4 1 "[ +. 1]" 1
356 1 34 GLY H 1 35 ALA H . . 4.000 3.523 3.093 4.453 0.453 8 0 "[ . 1]" 1
357 1 34 GLY HA2 1 35 ALA H . . 4.000 3.527 3.340 3.599 . 0 0 "[ . 1]" 1
358 1 34 GLY HA3 1 35 ALA H . . 4.000 2.724 2.182 3.026 . 0 0 "[ . 1]" 1
359 1 35 ALA HA 1 36 LYS H . . 4.000 2.263 2.193 2.384 . 0 0 "[ . 1]" 1
360 1 35 ALA HA 1 36 LYS QB . . 4.600 4.241 4.100 4.341 . 0 0 "[ . 1]" 1
361 1 35 ALA MB 1 36 LYS H . . 5.000 2.972 2.553 3.564 . 0 0 "[ . 1]" 1
362 1 36 LYS H 1 37 VAL HA . . 5.000 5.375 5.093 5.536 0.536 8 2 "[ . +-1]" 1
363 1 36 LYS H 1 37 VAL QG . . 7.400 4.512 4.206 4.729 . 0 0 "[ . 1]" 1
364 1 36 LYS HA 1 37 VAL H . . 3.000 2.374 2.325 2.463 . 0 0 "[ . 1]" 1
365 1 36 LYS QB 1 37 VAL H . . 4.600 2.989 2.438 3.547 . 0 0 "[ . 1]" 1
366 1 37 VAL H 1 37 VAL HB . . 4.000 3.793 3.730 3.894 . 0 0 "[ . 1]" 1
367 1 37 VAL HA 1 38 THR H . . 3.000 2.321 2.227 2.464 . 0 0 "[ . 1]" 1
368 1 37 VAL QG 1 38 THR H . . 7.400 3.316 3.117 3.500 . 0 0 "[ . 1]" 1
369 1 38 THR HA 1 38 THR HB . . 3.000 2.856 2.581 2.991 . 0 0 "[ . 1]" 1
370 1 38 THR HA 1 39 ASP H . . 3.000 2.734 2.635 2.823 . 0 0 "[ . 1]" 1
371 1 38 THR HA 1 40 SER H . . 5.000 4.331 4.158 4.477 . 0 0 "[ . 1]" 1
372 1 38 THR HB 1 39 ASP H . . 4.000 2.288 1.868 2.759 . 0 0 "[ . 1]" 1
373 1 38 THR HB 1 40 SER H . . 4.000 2.798 2.435 3.203 . 0 0 "[ . 1]" 1
374 1 38 THR MG 1 40 SER H . . 6.000 3.067 2.225 4.172 . 0 0 "[ . 1]" 1
375 1 39 ASP H 1 40 SER H . . 5.000 1.732 1.646 1.997 . 0 0 "[ . 1]" 1
376 1 39 ASP HA 1 40 SER H . . 4.000 3.283 2.972 3.388 . 0 0 "[ . 1]" 1
377 1 39 ASP HA 1 60 LYS QB . . 6.000 7.183 6.633 7.869 1.869 2 10 [*+*-******] 1
378 1 39 ASP HA 1 60 LYS QG . . 6.000 7.908 6.840 8.832 2.832 2 10 [*+*******-] 1
379 1 39 ASP HB2 1 40 SER H . . 5.000 4.296 4.107 4.445 . 0 0 "[ . 1]" 1
380 1 39 ASP HB3 1 40 SER H . . 5.000 4.439 4.317 4.622 . 0 0 "[ . 1]" 1
381 1 40 SER H 1 60 LYS QB . . 5.000 8.018 7.477 8.429 3.429 2 10 [*+*-******] 1
382 1 40 SER HA 1 41 VAL H . . 3.000 2.576 2.374 2.801 . 0 0 "[ . 1]" 1
383 1 40 SER QB 1 41 VAL H . . 5.600 2.416 1.969 3.401 . 0 0 "[ . 1]" 1
384 1 40 SER QB 1 41 VAL QG . . 8.000 3.659 3.268 4.124 . 0 0 "[ . 1]" 1
385 1 41 VAL H 1 41 VAL HB . . 4.000 3.869 3.828 3.907 . 0 0 "[ . 1]" 1
386 1 41 VAL H 1 42 SER QB . . 5.600 4.998 4.396 5.433 . 0 0 "[ . 1]" 1
387 1 41 VAL H 1 60 LYS QB . . 5.000 7.101 6.425 8.301 3.301 10 10 [*-*******+] 1
388 1 41 VAL HA 1 42 SER H . . 4.000 2.259 2.151 2.355 . 0 0 "[ . 1]" 1
389 1 41 VAL HA 1 60 LYS H . . 4.000 10.375 9.247 10.974 6.974 3 10 [**+*****-*] 1
390 1 41 VAL HA 1 60 LYS QB . . 5.000 7.380 6.668 7.838 2.838 3 10 [**+*****-*] 1
391 1 41 VAL HA 1 60 LYS QE . . 6.000 4.875 4.247 5.274 . 0 0 "[ . 1]" 1
392 1 41 VAL HA 1 63 ALA MB . . 5.000 9.729 9.137 10.556 5.556 3 10 [**+******-] 1
393 1 41 VAL HB 1 60 LYS H . . 5.000 9.100 7.640 9.895 4.895 3 10 [**+*****-*] 1
394 1 41 VAL QG 1 42 SER H . . 7.400 3.413 3.290 3.556 . 0 0 "[ . 1]" 1
395 1 41 VAL QG 1 42 SER HA . . 7.400 3.774 3.585 3.963 . 0 0 "[ . 1]" 1
396 1 41 VAL QG 1 42 SER QB . . 8.000 4.596 4.381 4.826 . 0 0 "[ . 1]" 1
397 1 41 VAL QG 1 59 GLU HA . . 7.400 7.445 6.428 7.915 0.515 3 1 "[ + . 1]" 1
398 1 41 VAL QG 1 60 LYS H . . 7.400 5.677 4.871 6.148 . 0 0 "[ . 1]" 1
399 1 41 VAL QG 1 61 ALA H . . 7.400 6.646 6.269 7.259 . 0 0 "[ . 1]" 1
400 1 42 SER H 1 45 THR HB . . 4.000 3.212 2.805 4.183 0.183 2 0 "[ . 1]" 1
401 1 42 SER H 1 60 LYS HA . . 4.000 10.365 9.761 10.870 6.870 3 10 [**+*****-*] 1
402 1 42 SER H 1 60 LYS QG . . 6.000 7.971 7.571 8.451 2.451 3 10 [**+*****-*] 1
403 1 42 SER HA 1 43 ARG H . . 4.000 3.443 2.543 3.589 . 0 0 "[ . 1]" 1
404 1 42 SER HA 1 63 ALA MB . . 6.000 11.109 10.518 11.882 5.882 3 10 [**+***-***] 1
405 1 42 SER QB 1 43 ARG QG . . 6.600 5.027 4.408 5.504 . 0 0 "[ . 1]" 1
406 1 42 SER QB 1 44 LYS HA . . 5.000 6.393 5.537 7.002 2.002 6 10 [*****+***-] 1
407 1 42 SER QB 1 45 THR H . . 6.000 4.462 3.934 4.935 . 0 0 "[ . 1]" 1
408 1 42 SER QB 1 64 LEU QD . . 8.400 10.464 8.467 12.456 4.056 1 8 "[+ -** ****]" 1
409 1 42 SER HB2 1 43 ARG H . . 5.000 3.312 2.617 4.629 . 0 0 "[ . 1]" 1
410 1 42 SER HB2 1 44 LYS H . . 5.000 4.387 3.686 5.263 0.263 3 0 "[ . 1]" 1
411 1 42 SER HB3 1 43 ARG H . . 5.000 3.712 2.283 4.350 . 0 0 "[ . 1]" 1
412 1 42 SER HB3 1 44 LYS H . . 5.000 4.818 3.386 5.524 0.524 6 2 "[ -+ 1]" 1
413 1 43 ARG H 1 44 LYS H . . 4.000 2.618 1.753 2.980 . 0 0 "[ . 1]" 1
414 1 43 ARG H 1 44 LYS HA . . 5.000 4.794 4.476 5.538 0.538 10 1 "[ . +]" 1
415 1 43 ARG HA 1 45 THR H . . 4.000 4.030 3.783 4.313 0.313 7 0 "[ . 1]" 1
416 1 43 ARG HA 1 60 LYS QE . . 6.000 7.825 5.819 9.145 3.145 7 9 "[-*****+* *]" 1
417 1 43 ARG HA 1 63 ALA MB . . 5.000 9.907 9.272 10.809 5.809 3 10 [**+******-] 1
418 1 43 ARG HA 1 64 LEU H . . 5.000 11.765 10.817 12.691 7.691 1 10 [+****-****] 1
419 1 43 ARG QG 1 44 LYS H . . 6.000 3.478 2.600 4.489 . 0 0 "[ . 1]" 1
420 1 44 LYS H 1 45 THR H . . 4.000 2.480 1.732 2.759 . 0 0 "[ . 1]" 1
421 1 44 LYS H 1 64 LEU HG . . 5.000 15.347 12.493 17.961 12.961 9 10 [**-*****+*] 1
422 1 44 LYS HA 1 45 THR H . . 5.000 3.357 3.031 3.506 . 0 0 "[ . 1]" 1
423 1 44 LYS QB 1 45 THR H . . 5.600 3.298 2.775 3.864 . 0 0 "[ . 1]" 1
424 1 45 THR H 1 45 THR HB . . 4.000 2.879 2.593 3.715 . 0 0 "[ . 1]" 1
425 1 45 THR H 1 60 LYS QE . . 6.000 6.694 5.400 8.071 2.071 7 7 "[ * **-+* *]" 1
426 1 45 THR HA 1 46 SER H . . 3.000 2.452 2.185 3.381 0.381 1 0 "[ . 1]" 1
427 1 45 THR HA 1 47 TYR H . . 4.000 4.180 3.768 4.458 0.458 6 0 "[ . 1]" 1
428 1 45 THR HA 1 60 LYS QG . . 6.000 8.108 6.655 8.582 2.582 6 10 [*****+**-*] 1
429 1 45 THR HB 1 60 LYS QB . . 5.000 8.686 7.288 9.725 4.725 10 10 [********-+] 1
430 1 45 THR HB 1 60 LYS QE . . 6.000 5.633 3.716 6.667 0.667 10 1 "[ . +]" 1
431 1 45 THR HB 1 60 LYS QG . . 6.000 7.816 6.451 8.470 2.470 6 8 "[ -***+** *]" 1
432 1 45 THR HB 1 64 LEU QB . . 6.000 14.242 12.691 15.397 9.397 7 10 [***-**+***] 1
433 1 46 SER H 1 47 TYR H . . 4.000 2.827 1.834 3.877 . 0 0 "[ . 1]" 1
434 1 46 SER HA 1 47 TYR CG . . 7.200 5.176 4.844 5.538 . 0 0 "[ . 1]" 1
435 1 46 SER HA 1 47 TYR H . . 5.000 2.667 2.326 3.475 . 0 0 "[ . 1]" 1
436 1 46 SER HA 1 66 VAL HB . . 5.000 4.503 3.983 5.124 0.124 1 0 "[ . 1]" 1
437 1 46 SER QB 1 47 TYR CG . . 7.800 4.678 3.888 5.386 . 0 0 "[ . 1]" 1
438 1 46 SER QB 1 47 TYR CZ . . 7.800 4.617 3.559 5.717 . 0 0 "[ . 1]" 1
439 1 46 SER QB 1 47 TYR H . . 4.000 3.889 3.503 4.006 0.006 1 0 "[ . 1]" 1
440 1 46 SER QB 1 47 TYR HA . . 5.600 4.453 4.252 4.867 . 0 0 "[ . 1]" 1
441 1 47 TYR CG 1 67 PRO QB . . 8.200 4.603 4.025 5.308 . 0 0 "[ . 1]" 1
442 1 47 TYR CG 1 69 LEU QB . . 8.200 4.338 3.824 4.834 . 0 0 "[ . 1]" 1
443 1 47 TYR CZ 1 47 TYR H . . 6.000 5.418 4.792 5.957 . 0 0 "[ . 1]" 1
444 1 47 TYR CZ 1 47 TYR HA . . 6.000 5.035 4.840 5.235 . 0 0 "[ . 1]" 1
445 1 47 TYR HA 1 48 LEU H . . 3.000 2.214 2.183 2.230 . 0 0 "[ . 1]" 1
446 1 47 TYR HA 1 48 LEU QB . . 5.600 4.090 4.027 4.171 . 0 0 "[ . 1]" 1
447 1 47 TYR HA 1 60 LYS QE . . 6.000 3.979 2.897 5.556 . 0 0 "[ . 1]" 1
448 1 47 TYR HA 1 60 LYS QG . . 6.000 4.579 4.100 5.168 . 0 0 "[ . 1]" 1
449 1 47 TYR HA 1 68 THR MG . . 6.000 4.403 3.962 5.140 . 0 0 "[ . 1]" 1
450 1 47 TYR HA 1 69 LEU H . . 5.000 3.409 3.228 3.607 . 0 0 "[ . 1]" 1
451 1 47 TYR QB 1 68 THR HA . . 6.000 4.342 3.851 5.139 . 0 0 "[ . 1]" 1
452 1 47 TYR QB 1 69 LEU QB . . 6.000 2.637 2.174 3.073 . 0 0 "[ . 1]" 1
453 1 47 TYR HB2 1 48 LEU H . . 5.000 4.172 3.963 4.379 . 0 0 "[ . 1]" 1
454 1 47 TYR HB3 1 48 LEU H . . 5.000 3.397 3.192 3.594 . 0 0 "[ . 1]" 1
455 1 48 LEU H 1 48 LEU HB2 . . 4.000 3.351 2.847 3.701 . 0 0 "[ . 1]" 1
456 1 48 LEU H 1 48 LEU HB3 . . 4.000 2.534 2.420 2.765 . 0 0 "[ . 1]" 1
457 1 48 LEU H 1 68 THR HA . . 4.000 2.163 1.717 2.521 . 0 0 "[ . 1]" 1
458 1 48 LEU H 1 69 LEU HG . . 5.000 6.044 5.093 6.571 1.571 3 8 "[ -+ ******]" 1
459 1 48 LEU HA 1 49 VAL H . . 3.000 2.216 2.162 2.268 . 0 0 "[ . 1]" 1
460 1 48 LEU QB 1 57 LYS QB . . 6.000 4.186 3.769 4.581 . 0 0 "[ . 1]" 1
461 1 48 LEU HB2 1 60 LYS QE . . 6.000 3.245 2.007 5.081 . 0 0 "[ . 1]" 1
462 1 48 LEU HB2 1 68 THR HA . . 5.000 4.712 3.706 5.344 0.344 4 0 "[ . 1]" 1
463 1 48 LEU HB2 1 68 THR MG . . 6.000 4.303 3.010 5.328 . 0 0 "[ . 1]" 1
464 1 48 LEU HB3 1 60 LYS QE . . 6.000 3.766 2.264 5.548 . 0 0 "[ . 1]" 1
465 1 48 LEU HB3 1 68 THR HA . . 5.000 3.413 2.742 3.733 . 0 0 "[ . 1]" 1
466 1 48 LEU HB3 1 68 THR MG . . 6.000 3.149 2.389 3.877 . 0 0 "[ . 1]" 1
467 1 48 LEU QD 1 49 VAL H . . 7.400 3.074 1.728 3.493 . 0 0 "[ . 1]" 1
468 1 48 LEU QD 1 58 LEU H . . 7.400 4.733 4.323 5.399 . 0 0 "[ . 1]" 1
469 1 48 LEU QD 1 58 LEU HA . . 7.400 5.055 4.669 5.997 . 0 0 "[ . 1]" 1
470 1 48 LEU QD 1 59 GLU H . . 7.400 4.662 4.303 5.243 . 0 0 "[ . 1]" 1
471 1 48 LEU QD 1 61 ALA MB . . 8.400 2.137 1.888 3.511 . 0 0 "[ . 1]" 1
472 1 48 LEU QD 1 66 VAL H . . 7.400 8.036 7.685 8.604 1.204 2 6 "[*+ **- *1]" 1
473 1 48 LEU QD 1 69 LEU H . . 7.400 3.755 2.969 4.613 . 0 0 "[ . 1]" 1
474 1 48 LEU HG 1 49 VAL H . . 5.000 2.644 1.867 4.415 . 0 0 "[ . 1]" 1
475 1 48 LEU HG 1 61 ALA H . . 5.000 5.374 3.690 6.145 1.145 1 5 "[+ * .*- *1]" 1
476 1 48 LEU HG 1 68 THR HB . . 5.000 5.003 4.387 5.525 0.525 9 3 "[- .* +1]" 1
477 1 48 LEU HG 1 69 LEU H . . 5.000 5.211 4.820 5.596 0.596 2 3 "[ + .- *1]" 1
478 1 49 VAL H 1 49 VAL HB . . 4.000 3.283 2.677 3.559 . 0 0 "[ . 1]" 1
479 1 49 VAL H 1 57 LYS QB . . 6.000 5.633 5.251 5.922 . 0 0 "[ . 1]" 1
480 1 49 VAL HA 1 50 VAL H . . 3.000 2.231 2.210 2.271 . 0 0 "[ . 1]" 1
481 1 49 VAL HA 1 69 LEU H . . 5.000 4.162 3.887 4.342 . 0 0 "[ . 1]" 1
482 1 49 VAL HA 1 69 LEU QB . . 4.000 3.507 3.247 3.756 . 0 0 "[ . 1]" 1
483 1 49 VAL HB 1 74 LEU QD . . 7.400 4.018 3.078 5.553 . 0 0 "[ . 1]" 1
484 1 49 VAL QG 1 50 VAL H . . 7.400 3.413 2.878 3.706 . 0 0 "[ . 1]" 1
485 1 49 VAL QG 1 50 VAL QG . . 9.800 4.153 3.740 4.310 . 0 0 "[ . 1]" 1
486 1 49 VAL QG 1 51 GLY QA . . 8.400 4.418 3.265 4.932 . 0 0 "[ . 1]" 1
487 1 49 VAL QG 1 74 LEU H . . 7.400 4.288 4.007 4.680 . 0 0 "[ . 1]" 1
488 1 49 VAL QG 1 74 LEU QD . . 9.800 2.484 1.865 3.501 . 0 0 "[ . 1]" 1
489 1 50 VAL H 1 50 VAL HB . . 4.000 2.568 2.506 2.666 . 0 0 "[ . 1]" 1
490 1 50 VAL H 1 70 THR HA . . 3.000 2.730 2.384 3.106 0.106 1 0 "[ . 1]" 1
491 1 50 VAL H 1 71 GLU QB . . 6.000 3.072 2.606 3.409 . 0 0 "[ . 1]" 1
492 1 50 VAL HA 1 51 GLY H . . 4.000 2.389 2.307 2.467 . 0 0 "[ . 1]" 1
493 1 50 VAL HB 1 68 THR HB . . 3.000 6.271 5.234 7.017 4.017 7 10 [*****-+***] 1
494 1 50 VAL HB 1 70 THR HA . . 5.000 2.596 2.054 3.058 . 0 0 "[ . 1]" 1
495 1 50 VAL QG 1 51 GLY H . . 7.400 2.377 1.709 3.375 . 0 0 "[ . 1]" 1
496 1 50 VAL QG 1 52 GLU HA . . 7.400 4.644 3.753 5.440 . 0 0 "[ . 1]" 1
497 1 50 VAL QG 1 55 GLY H . . 7.400 5.695 5.237 6.181 . 0 0 "[ . 1]" 1
498 1 50 VAL QG 1 58 LEU H . . 7.400 5.880 5.464 6.521 . 0 0 "[ . 1]" 1
499 1 50 VAL QG 1 68 THR HA . . 7.400 4.910 4.301 5.397 . 0 0 "[ . 1]" 1
500 1 50 VAL QG 1 68 THR HB . . 7.400 3.381 2.667 3.947 . 0 0 "[ . 1]" 1
501 1 50 VAL QG 1 69 LEU H . . 7.400 4.215 3.606 4.654 . 0 0 "[ . 1]" 1
502 1 50 VAL QG 1 71 GLU QB . . 8.400 3.561 2.924 3.928 . 0 0 "[ . 1]" 1
503 1 51 GLY QA 1 52 GLU QB . . 6.200 3.898 3.608 4.254 . 0 0 "[ . 1]" 1
504 1 51 GLY QA 1 53 ASN QB . . 7.000 7.018 6.780 7.298 0.298 10 0 "[ . 1]" 1
505 1 51 GLY QA 1 71 GLU H . . 6.000 4.827 3.679 5.571 . 0 0 "[ . 1]" 1
506 1 51 GLY QA 1 71 GLU QB . . 7.000 3.093 2.026 3.908 . 0 0 "[ . 1]" 1
507 1 51 GLY HA2 1 52 GLU H . . 4.000 3.532 3.306 3.600 . 0 0 "[ . 1]" 1
508 1 51 GLY HA3 1 52 GLU H . . 4.000 2.490 2.168 2.796 . 0 0 "[ . 1]" 1
509 1 52 GLU HA 1 53 ASN H . . 3.000 3.012 2.680 3.274 0.274 8 0 "[ . 1]" 1
510 1 52 GLU QB 1 53 ASN H . . 4.600 1.879 1.577 2.380 . 0 0 "[ . 1]" 1
511 1 52 GLU QG 1 53 ASN H . . 6.000 2.341 1.681 3.539 . 0 0 "[ . 1]" 1
512 1 53 ASN H 1 53 ASN HA . . 3.000 2.993 2.990 2.995 . 0 0 "[ . 1]" 1
513 1 53 ASN H 1 54 PRO QD . . 6.000 1.697 1.586 1.822 . 0 0 "[ . 1]" 1
514 1 53 ASN HA 1 53 ASN HD22 . . 5.000 4.160 3.572 4.942 . 0 0 "[ . 1]" 1
515 1 53 ASN HA 1 54 PRO QD . . 6.000 3.523 3.492 3.546 . 0 0 "[ . 1]" 1
516 1 53 ASN QB 1 54 PRO HA . . 5.600 4.043 3.840 4.628 . 0 0 "[ . 1]" 1
517 1 53 ASN QB 1 54 PRO QD . . 6.600 1.799 1.742 1.892 . 0 0 "[ . 1]" 1
518 1 54 PRO HA 1 55 GLY H . . 5.000 3.181 3.092 3.274 . 0 0 "[ . 1]" 1
519 1 54 PRO HA 1 56 SER H . . 5.000 6.431 6.305 6.542 1.542 7 10 [****-*+***] 1
520 1 54 PRO QB 1 55 GLY QA . . 6.200 4.182 4.110 4.261 . 0 0 "[ . 1]" 1
521 1 54 PRO QB 1 56 SER QB . . 7.000 6.922 6.705 7.265 0.265 1 0 "[ . 1]" 1
522 1 54 PRO QD 1 55 GLY H . . 6.000 2.959 2.513 3.222 . 0 0 "[ . 1]" 1
523 1 55 GLY H 1 56 SER HA . . 4.000 5.740 5.663 5.848 1.848 1 10 [+******-**] 1
524 1 55 GLY H 1 56 SER QB . . 5.600 6.256 6.156 6.517 0.917 1 10 [+******-**] 1
525 1 55 GLY QA 1 56 SER H . . 4.600 2.257 2.214 2.285 . 0 0 "[ . 1]" 1
526 1 55 GLY QA 1 57 LYS H . . 6.000 2.813 2.740 2.927 . 0 0 "[ . 1]" 1
527 1 55 GLY QA 1 58 LEU H . . 5.000 4.285 4.019 4.462 . 0 0 "[ . 1]" 1
528 1 55 GLY QA 1 58 LEU QB . . 5.000 5.147 4.724 5.662 0.662 5 1 "[ + 1]" 1
529 1 56 SER QB 1 57 LYS H . . 5.600 3.216 3.084 3.265 . 0 0 "[ . 1]" 1
530 1 56 SER QB 1 59 GLU H . . 6.000 4.937 4.440 5.183 . 0 0 "[ . 1]" 1
531 1 56 SER QB 1 59 GLU QB . . 6.000 4.810 4.222 5.187 . 0 0 "[ . 1]" 1
532 1 57 LYS H 1 58 LEU H . . 4.000 2.730 2.679 2.789 . 0 0 "[ . 1]" 1
533 1 57 LYS HA 1 61 ALA H . . 4.000 3.377 3.126 3.566 . 0 0 "[ . 1]" 1
534 1 58 LEU H 1 58 LEU HG . . 5.000 3.770 2.165 4.501 . 0 0 "[ . 1]" 1
535 1 58 LEU H 1 59 GLU QB . . 5.600 4.692 4.617 4.851 . 0 0 "[ . 1]" 1
536 1 58 LEU H 1 68 THR MG . . 6.000 7.512 7.331 7.746 1.746 7 10 [****-*+***] 1
537 1 58 LEU HA 1 59 GLU H . . 4.000 3.483 3.459 3.505 . 0 0 "[ . 1]" 1
538 1 58 LEU HA 1 61 ALA H . . 4.000 4.000 3.726 4.205 0.205 8 0 "[ . 1]" 1
539 1 58 LEU HA 1 61 ALA MB . . 6.000 2.570 2.284 2.805 . 0 0 "[ . 1]" 1
540 1 58 LEU QB 1 59 GLU H . . 4.600 3.008 2.889 3.550 . 0 0 "[ . 1]" 1
541 1 58 LEU QD 1 59 GLU H . . 7.400 3.995 2.831 4.331 . 0 0 "[ . 1]" 1
542 1 58 LEU QD 1 62 ARG H . . 7.400 4.337 3.865 4.778 . 0 0 "[ . 1]" 1
543 1 58 LEU HG 1 59 GLU H . . 5.000 4.390 2.032 5.081 0.081 2 0 "[ . 1]" 1
544 1 58 LEU HG 1 61 ALA MB . . 6.000 4.472 3.958 5.168 . 0 0 "[ . 1]" 1
545 1 58 LEU HG 1 62 ARG QD . . 6.000 4.189 2.893 5.744 . 0 0 "[ . 1]" 1
546 1 59 GLU H 1 60 LYS H . . 4.000 2.803 2.697 2.865 . 0 0 "[ . 1]" 1
547 1 59 GLU HA 1 63 ALA H . . 4.000 4.485 4.337 4.542 0.542 10 3 "[ - * +]" 1
548 1 60 LYS H 1 61 ALA H . . 4.000 2.458 2.353 2.595 . 0 0 "[ . 1]" 1
549 1 60 LYS H 1 61 ALA MB . . 6.000 4.187 4.072 4.308 . 0 0 "[ . 1]" 1
550 1 60 LYS H 1 62 ARG QB . . 6.000 5.236 5.087 5.774 . 0 0 "[ . 1]" 1
551 1 60 LYS HA 1 62 ARG H . . 4.000 4.328 4.178 4.430 0.430 10 0 "[ . 1]" 1
552 1 60 LYS HA 1 63 ALA H . . 4.000 3.239 3.129 3.420 . 0 0 "[ . 1]" 1
553 1 60 LYS HA 1 63 ALA MB . . 5.000 3.793 3.177 4.267 . 0 0 "[ . 1]" 1
554 1 60 LYS HA 1 64 LEU H . . 5.000 5.261 4.909 5.674 0.674 1 1 "[+ . 1]" 1
555 1 60 LYS QB 1 61 ALA H . . 4.600 2.742 2.651 2.888 . 0 0 "[ . 1]" 1
556 1 60 LYS QE 1 64 LEU QB . . 7.000 9.157 7.735 10.609 3.609 5 10 [****+***-*] 1
557 1 60 LYS QE 1 68 THR MG . . 7.000 4.253 3.382 5.141 . 0 0 "[ . 1]" 1
558 1 60 LYS QG 1 61 ALA H . . 6.000 3.925 3.606 4.229 . 0 0 "[ . 1]" 1
559 1 61 ALA MB 1 62 ARG H . . 6.000 2.593 2.511 2.724 . 0 0 "[ . 1]" 1
560 1 61 ALA MB 1 65 GLY QA . . 6.000 9.455 9.307 9.577 3.577 2 10 [*+*****-**] 1
561 1 61 ALA MB 1 66 VAL H . . 6.000 8.638 8.384 8.866 2.866 2 10 [*+******-*] 1
562 1 61 ALA MB 1 68 THR HA . . 6.000 5.545 5.509 5.591 . 0 0 "[ . 1]" 1
563 1 62 ARG H 1 63 ALA H . . 3.000 2.459 2.314 2.594 . 0 0 "[ . 1]" 1
564 1 62 ARG H 1 65 GLY QA . . 6.000 9.339 9.054 9.538 3.538 6 10 [-****+****] 1
565 1 62 ARG HA 1 63 ALA H . . 4.000 3.524 3.504 3.535 . 0 0 "[ . 1]" 1
566 1 62 ARG HA 1 64 LEU H . . 5.000 6.500 5.875 6.918 1.918 2 10 [*+*******-] 1
567 1 62 ARG QB 1 63 ALA H . . 4.600 2.683 2.459 3.432 . 0 0 "[ . 1]" 1
568 1 62 ARG QD 1 65 GLY QA . . 7.000 8.879 8.099 9.700 2.700 10 10 [*******-*+] 1
569 1 63 ALA H 1 63 ALA MB . . 3.600 2.795 2.681 2.927 . 0 0 "[ . 1]" 1
570 1 63 ALA H 1 64 LEU H . . 4.000 4.059 3.683 4.388 0.388 4 0 "[ . 1]" 1
571 1 63 ALA MB 1 64 LEU H . . 5.000 3.146 2.568 3.635 . 0 0 "[ . 1]" 1
572 1 63 ALA MB 1 65 GLY H . . 6.000 2.509 2.245 2.866 . 0 0 "[ . 1]" 1
573 1 64 LEU H 1 64 LEU HB2 . . 4.000 3.334 2.653 3.765 . 0 0 "[ . 1]" 1
574 1 64 LEU H 1 64 LEU HB3 . . 4.000 3.031 2.390 3.662 . 0 0 "[ . 1]" 1
575 1 64 LEU H 1 64 LEU HG . . 5.000 2.694 1.761 4.489 . 0 0 "[ . 1]" 1
576 1 64 LEU H 1 65 GLY H . . 3.000 2.602 1.843 3.179 0.179 9 0 "[ . 1]" 1
577 1 64 LEU H 1 65 GLY QA . . 4.600 4.311 3.911 4.595 . 0 0 "[ . 1]" 1
578 1 64 LEU QB 1 66 VAL H . . 6.000 4.730 4.017 5.257 . 0 0 "[ . 1]" 1
579 1 64 LEU QB 1 66 VAL HB . . 5.000 7.325 6.524 8.137 3.137 10 10 [********-+] 1
580 1 65 GLY H 1 66 VAL H . . 4.000 1.949 1.794 2.072 . 0 0 "[ . 1]" 1
581 1 65 GLY QA 1 66 VAL H . . 5.600 2.805 2.738 2.865 . 0 0 "[ . 1]" 1
582 1 66 VAL H 1 66 VAL HB . . 4.000 3.437 2.774 3.650 . 0 0 "[ . 1]" 1
583 1 66 VAL H 1 67 PRO QD . . 6.000 4.409 4.386 4.421 . 0 0 "[ . 1]" 1
584 1 66 VAL HB 1 67 PRO QD . . 6.000 2.500 2.120 3.610 . 0 0 "[ . 1]" 1
585 1 67 PRO HA 1 68 THR H . . 4.000 2.247 2.203 2.308 . 0 0 "[ . 1]" 1
586 1 67 PRO HA 1 68 THR HA . . 5.000 4.517 4.496 4.525 . 0 0 "[ . 1]" 1
587 1 67 PRO QB 1 68 THR H . . 5.600 3.117 2.846 3.544 . 0 0 "[ . 1]" 1
588 1 68 THR HA 1 69 LEU H . . 3.000 2.286 2.258 2.330 . 0 0 "[ . 1]" 1
589 1 68 THR HA 1 69 LEU HA . . 5.000 4.465 4.448 4.480 . 0 0 "[ . 1]" 1
590 1 68 THR HB 1 69 LEU H . . 4.000 3.304 3.129 3.426 . 0 0 "[ . 1]" 1
591 1 68 THR HB 1 69 LEU HA . . 5.000 4.937 4.811 5.100 0.100 7 0 "[ . 1]" 1
592 1 69 LEU H 1 69 LEU HG . . 5.000 4.318 3.350 4.558 . 0 0 "[ . 1]" 1
593 1 69 LEU HA 1 70 THR H . . 3.000 2.176 2.163 2.184 . 0 0 "[ . 1]" 1
594 1 69 LEU HA 1 73 GLU QB . . 6.000 5.564 5.259 5.773 . 0 0 "[ . 1]" 1
595 1 69 LEU QB 1 74 LEU H . . 5.000 5.671 5.222 6.010 1.010 5 9 "[****+ **-*]" 1
596 1 69 LEU QB 1 74 LEU HA . . 5.000 6.769 6.243 7.112 2.112 7 10 [*****-+***] 1
597 1 69 LEU HG 1 70 THR H . . 5.000 3.996 3.032 5.124 0.124 7 0 "[ . 1]" 1
598 1 69 LEU HG 1 73 GLU QB . . 6.000 5.038 3.965 6.438 0.438 4 0 "[ . 1]" 1
599 1 70 THR H 1 70 THR HB . . 4.000 2.802 2.762 2.850 . 0 0 "[ . 1]" 1
600 1 70 THR H 1 73 GLU QB . . 5.000 4.612 4.318 4.840 . 0 0 "[ . 1]" 1
601 1 70 THR HA 1 71 GLU H . . 3.000 2.248 2.221 2.276 . 0 0 "[ . 1]" 1
602 1 70 THR HA 1 71 GLU HA . . 5.000 4.429 4.412 4.457 . 0 0 "[ . 1]" 1
603 1 70 THR HA 1 71 GLU QB . . 5.600 4.157 4.110 4.214 . 0 0 "[ . 1]" 1
604 1 70 THR HA 1 73 GLU H . . 5.000 5.116 4.896 5.290 0.290 3 0 "[ . 1]" 1
605 1 70 THR HB 1 71 GLU H . . 4.000 3.851 3.755 4.065 0.065 1 0 "[ . 1]" 1
606 1 70 THR HB 1 72 GLU H . . 4.000 3.191 2.916 3.505 . 0 0 "[ . 1]" 1
607 1 70 THR HB 1 72 GLU QB . . 6.000 2.964 2.618 3.566 . 0 0 "[ . 1]" 1
608 1 70 THR HB 1 73 GLU H . . 4.000 2.918 2.555 3.171 . 0 0 "[ . 1]" 1
609 1 70 THR MG 1 71 GLU H . . 6.000 2.365 2.204 2.710 . 0 0 "[ . 1]" 1
610 1 70 THR MG 1 71 GLU HA . . 6.000 4.338 4.290 4.407 . 0 0 "[ . 1]" 1
611 1 70 THR MG 1 71 GLU QB . . 6.600 3.675 3.495 3.931 . 0 0 "[ . 1]" 1
612 1 70 THR MG 1 72 GLU QB . . 7.000 2.267 2.111 2.553 . 0 0 "[ . 1]" 1
613 1 70 THR MG 1 72 GLU QG . . 7.000 2.914 1.964 4.132 . 0 0 "[ . 1]" 1
614 1 71 GLU H 1 72 GLU H . . 4.000 2.470 2.372 2.556 . 0 0 "[ . 1]" 1
615 1 71 GLU H 1 72 GLU QB . . 5.600 4.434 4.193 4.690 . 0 0 "[ . 1]" 1
616 1 71 GLU HA 1 72 GLU H . . 5.000 3.450 3.433 3.472 . 0 0 "[ . 1]" 1
617 1 71 GLU HA 1 74 LEU H . . 4.000 3.088 2.936 3.225 . 0 0 "[ . 1]" 1
618 1 71 GLU HA 1 74 LEU HB2 . . 4.000 3.082 2.126 3.623 . 0 0 "[ . 1]" 1
619 1 71 GLU HA 1 74 LEU HB3 . . 4.000 2.756 2.306 3.325 . 0 0 "[ . 1]" 1
620 1 71 GLU HA 1 74 LEU HG . . 5.000 4.849 3.853 5.465 0.465 3 0 "[ . 1]" 1
621 1 71 GLU HA 1 75 TYR H . . 5.000 4.383 4.051 4.602 . 0 0 "[ . 1]" 1
622 1 71 GLU QB 1 72 GLU H . . 5.600 2.969 2.881 3.005 . 0 0 "[ . 1]" 1
623 1 71 GLU QG 1 74 LEU QB . . 7.000 2.280 2.043 2.600 . 0 0 "[ . 1]" 1
624 1 72 GLU H 1 73 GLU H . . 4.000 2.947 2.900 3.015 . 0 0 "[ . 1]" 1
625 1 72 GLU HA 1 73 GLU H . . 4.000 3.581 3.569 3.588 . 0 0 "[ . 1]" 1
626 1 72 GLU HA 1 75 TYR CG . . 7.200 4.414 3.998 5.001 . 0 0 "[ . 1]" 1
627 1 72 GLU HA 1 75 TYR H . . 4.000 3.470 3.203 3.720 . 0 0 "[ . 1]" 1
628 1 72 GLU QB 1 73 GLU H . . 5.600 2.372 2.241 2.601 . 0 0 "[ . 1]" 1
629 1 72 GLU QG 1 73 GLU H . . 6.000 3.979 3.341 4.479 . 0 0 "[ . 1]" 1
630 1 72 GLU QG 1 73 GLU HA . . 6.000 5.207 3.485 5.859 . 0 0 "[ . 1]" 1
631 1 73 GLU H 1 74 LEU H . . 4.000 2.720 2.657 2.822 . 0 0 "[ . 1]" 1
632 1 73 GLU HA 1 74 LEU H . . 5.000 3.543 3.510 3.560 . 0 0 "[ . 1]" 1
633 1 73 GLU HA 1 76 ARG H . . 4.000 3.289 3.170 3.370 . 0 0 "[ . 1]" 1
634 1 73 GLU HA 1 76 ARG QB . . 5.000 2.535 2.323 2.900 . 0 0 "[ . 1]" 1
635 1 73 GLU HA 1 76 ARG QD . . 6.000 3.493 2.256 4.851 . 0 0 "[ . 1]" 1
636 1 73 GLU HA 1 77 LEU H . . 4.000 4.037 3.816 4.409 0.409 3 0 "[ . 1]" 1
637 1 73 GLU QB 1 74 LEU H . . 5.600 2.628 2.482 2.793 . 0 0 "[ . 1]" 1
638 1 73 GLU QB 1 76 ARG H . . 6.000 4.793 4.665 4.891 . 0 0 "[ . 1]" 1
639 1 73 GLU QB 1 77 LEU H . . 6.000 4.964 4.362 5.339 . 0 0 "[ . 1]" 1
640 1 74 LEU H 1 74 LEU HB2 . . 4.000 2.652 2.148 2.947 . 0 0 "[ . 1]" 1
641 1 74 LEU H 1 74 LEU HB3 . . 4.000 2.482 2.197 3.042 . 0 0 "[ . 1]" 1
642 1 74 LEU H 1 75 TYR H . . 4.000 2.747 2.617 2.858 . 0 0 "[ . 1]" 1
643 1 74 LEU H 1 76 ARG QB . . 6.000 4.772 4.619 5.004 . 0 0 "[ . 1]" 1
644 1 74 LEU HA 1 77 LEU H . . 5.000 4.203 3.871 4.467 . 0 0 "[ . 1]" 1
645 1 74 LEU HA 1 78 LEU H . . 5.000 4.072 3.851 4.409 . 0 0 "[ . 1]" 1
646 1 74 LEU QB 1 77 LEU H . . 6.000 5.764 5.573 5.882 . 0 0 "[ . 1]" 1
647 1 74 LEU HB2 1 75 TYR H . . 5.000 3.860 3.293 4.099 . 0 0 "[ . 1]" 1
648 1 74 LEU HB3 1 75 TYR H . . 5.000 2.570 2.336 2.809 . 0 0 "[ . 1]" 1
649 1 74 LEU HG 1 75 TYR H . . 5.000 3.952 2.830 4.758 . 0 0 "[ . 1]" 1
650 1 75 TYR CG 1 76 ARG HA . . 7.200 5.833 5.016 6.089 . 0 0 "[ . 1]" 1
651 1 75 TYR CG 1 86 ALA MB . . 8.200 5.056 3.839 5.776 . 0 0 "[ . 1]" 1
652 1 75 TYR CG 1 89 LEU HG . . 7.200 14.050 11.314 18.025 10.825 6 10 [*****+*-**] 1
653 1 75 TYR CZ 1 75 TYR HA . . 6.000 4.710 4.534 4.876 . 0 0 "[ . 1]" 1
654 1 75 TYR CZ 1 78 LEU QD . . 9.600 4.571 3.713 5.518 . 0 0 "[ . 1]" 1
655 1 75 TYR CZ 1 79 GLU QB . . 8.200 7.185 5.267 8.508 0.308 4 0 "[ . 1]" 1
656 1 75 TYR CZ 1 86 ALA MB . . 8.200 4.685 2.965 6.432 . 0 0 "[ . 1]" 1
657 1 75 TYR CZ 1 89 LEU HG . . 7.200 12.414 9.556 15.549 8.349 10 10 [-********+] 1
658 1 75 TYR H 1 78 LEU QD . . 7.400 4.863 4.557 5.051 . 0 0 "[ . 1]" 1
659 1 75 TYR HA 1 76 ARG H . . 4.000 3.524 3.484 3.553 . 0 0 "[ . 1]" 1
660 1 75 TYR HA 1 78 LEU H . . 5.000 3.745 3.561 3.854 . 0 0 "[ . 1]" 1
661 1 75 TYR HA 1 78 LEU QB . . 5.000 2.388 2.152 2.571 . 0 0 "[ . 1]" 1
662 1 75 TYR HA 1 78 LEU QD . . 7.400 2.905 2.504 3.177 . 0 0 "[ . 1]" 1
663 1 75 TYR HA 1 79 GLU QG . . 6.000 4.467 3.241 5.648 . 0 0 "[ . 1]" 1
664 1 75 TYR HA 1 86 ALA MB . . 6.000 4.686 3.049 5.228 . 0 0 "[ . 1]" 1
665 1 75 TYR QB 1 76 ARG H . . 4.600 2.772 2.623 2.922 . 0 0 "[ . 1]" 1
666 1 75 TYR QB 1 76 ARG HA . . 5.600 3.914 3.841 4.023 . 0 0 "[ . 1]" 1
667 1 75 TYR QB 1 76 ARG QB . . 6.200 4.150 3.983 4.654 . 0 0 "[ . 1]" 1
668 1 75 TYR QB 1 86 ALA HA . . 6.000 8.194 5.969 8.890 2.890 2 9 "[*+***** *-]" 1
669 1 75 TYR QB 1 86 ALA MB . . 7.000 5.191 3.373 5.628 . 0 0 "[ . 1]" 1
670 1 76 ARG HA 1 78 LEU H . . 5.000 4.180 4.049 4.350 . 0 0 "[ . 1]" 1
671 1 76 ARG HA 1 79 GLU QB . . 6.000 3.455 3.034 4.111 . 0 0 "[ . 1]" 1
672 1 76 ARG HA 1 80 ALA H . . 5.000 4.148 3.822 4.392 . 0 0 "[ . 1]" 1
673 1 76 ARG HA 1 86 ALA MB . . 6.000 7.234 5.802 8.030 2.030 3 9 "[**+**** -*]" 1
674 1 76 ARG QB 1 77 LEU H . . 5.600 1.869 1.812 2.052 . 0 0 "[ . 1]" 1
675 1 76 ARG QB 1 78 LEU H . . 6.000 4.133 4.042 4.188 . 0 0 "[ . 1]" 1
676 1 77 LEU H 1 77 LEU HA . . 3.000 2.784 2.762 2.807 . 0 0 "[ . 1]" 1
677 1 77 LEU H 1 78 LEU H . . 4.000 2.871 2.788 2.922 . 0 0 "[ . 1]" 1
678 1 77 LEU H 1 78 LEU QB . . 5.600 4.661 4.564 4.737 . 0 0 "[ . 1]" 1
679 1 77 LEU HA 1 78 LEU H . . 5.000 3.515 3.482 3.542 . 0 0 "[ . 1]" 1
680 1 77 LEU HA 1 81 ARG H . . 5.000 3.605 3.068 4.229 . 0 0 "[ . 1]" 1
681 1 77 LEU QB 1 78 LEU H . . 4.600 2.881 2.728 3.030 . 0 0 "[ . 1]" 1
682 1 77 LEU QB 1 78 LEU QB . . 5.200 4.139 4.007 4.319 . 0 0 "[ . 1]" 1
683 1 77 LEU QD 1 78 LEU H . . 7.400 3.870 3.453 4.235 . 0 0 "[ . 1]" 1
684 1 78 LEU HA 1 79 GLU H . . 4.000 3.574 3.559 3.587 . 0 0 "[ . 1]" 1
685 1 78 LEU HA 1 81 ARG H . . 4.000 3.799 3.629 4.059 0.059 7 0 "[ . 1]" 1
686 1 78 LEU HA 1 81 ARG QB . . 5.000 2.800 2.499 3.138 . 0 0 "[ . 1]" 1
687 1 78 LEU QB 1 79 GLU H . . 5.600 2.022 1.789 2.153 . 0 0 "[ . 1]" 1
688 1 79 GLU H 1 80 ALA H . . 4.000 2.843 2.784 2.905 . 0 0 "[ . 1]" 1
689 1 79 GLU HA 1 80 ALA H . . 4.000 3.533 3.493 3.573 . 0 0 "[ . 1]" 1
690 1 79 GLU HA 1 82 THR H . . 4.000 3.822 3.068 4.232 0.232 3 0 "[ . 1]" 1
691 1 79 GLU QB 1 80 ALA HA . . 5.600 3.976 3.846 4.127 . 0 0 "[ . 1]" 1
692 1 79 GLU QB 1 82 THR HB . . 6.000 5.405 4.210 6.338 0.338 8 0 "[ . 1]" 1
693 1 79 GLU QB 1 85 LYS H . . 6.000 6.233 5.427 6.765 0.765 7 4 "[ * +-*1]" 1
694 1 79 GLU QB 1 85 LYS HA . . 5.000 4.502 3.781 4.895 . 0 0 "[ . 1]" 1
695 1 79 GLU QB 1 86 ALA H . . 6.000 4.492 3.449 5.406 . 0 0 "[ . 1]" 1
696 1 79 GLU QG 1 80 ALA H . . 6.000 4.163 3.679 4.650 . 0 0 "[ . 1]" 1
697 1 79 GLU QG 1 82 THR MG . . 7.000 4.980 3.924 5.561 . 0 0 "[ . 1]" 1
698 1 79 GLU QG 1 85 LYS HA . . 6.000 3.232 2.608 4.540 . 0 0 "[ . 1]" 1
699 1 79 GLU QG 1 86 ALA H . . 6.000 2.877 2.152 4.153 . 0 0 "[ . 1]" 1
700 1 79 GLU QG 1 86 ALA HA . . 6.000 4.894 3.768 5.462 . 0 0 "[ . 1]" 1
701 1 79 GLU QG 1 86 ALA MB . . 7.000 3.306 2.807 3.660 . 0 0 "[ . 1]" 1
702 1 80 ALA H 1 81 ARG H . . 3.000 2.742 2.682 2.821 . 0 0 "[ . 1]" 1
703 1 80 ALA H 1 82 THR HB . . 5.000 5.814 4.904 7.253 2.253 2 4 "[ + *.* - 1]" 1
704 1 80 ALA H 1 85 LYS QB . . 5.000 8.961 8.506 9.495 4.495 1 10 [+****-****] 1
705 1 80 ALA HA 1 81 ARG H . . 5.000 3.521 3.395 3.577 . 0 0 "[ . 1]" 1
706 1 80 ALA HA 1 83 GLY H . . 4.000 3.702 3.322 4.397 0.397 1 0 "[ . 1]" 1
707 1 80 ALA HA 1 84 LYS H . . 5.000 5.434 4.986 6.273 1.273 1 3 "[+* .- 1]" 1
708 1 80 ALA HA 1 84 LYS HA . . 4.000 7.306 6.781 8.260 4.260 1 10 [+*******-*] 1
709 1 80 ALA HA 1 85 LYS QB . . 4.000 9.221 8.686 10.302 6.302 1 10 [+*****-***] 1
710 1 81 ARG H 1 82 THR H . . 4.000 2.737 1.948 3.074 . 0 0 "[ . 1]" 1
711 1 81 ARG H 1 82 THR HB . . 5.000 5.516 4.053 6.603 1.603 8 4 "[ * *.- + 1]" 1
712 1 81 ARG QB 1 82 THR H . . 5.600 2.442 2.313 2.648 . 0 0 "[ . 1]" 1
713 1 81 ARG QB 1 82 THR HA . . 4.600 4.088 3.861 4.289 . 0 0 "[ . 1]" 1
714 1 81 ARG QD 1 82 THR HA . . 6.000 4.302 3.021 5.755 . 0 0 "[ . 1]" 1
715 1 82 THR H 1 83 GLY H . . 4.000 2.647 2.533 2.731 . 0 0 "[ . 1]" 1
716 1 82 THR HA 1 83 GLY H . . 4.000 3.554 3.532 3.564 . 0 0 "[ . 1]" 1
717 1 82 THR HB 1 84 LYS H . . 5.000 2.708 2.368 3.256 . 0 0 "[ . 1]" 1
718 1 82 THR MG 1 84 LYS QG . . 7.000 4.775 3.840 6.111 . 0 0 "[ . 1]" 1
719 1 83 GLY QA 1 84 LYS HA . . 4.600 4.063 4.048 4.089 . 0 0 "[ . 1]" 1
720 1 83 GLY QA 1 84 LYS QB . . 6.200 3.966 3.884 4.083 . 0 0 "[ . 1]" 1
721 1 83 GLY HA2 1 84 LYS H . . 5.000 3.129 3.102 3.163 . 0 0 "[ . 1]" 1
722 1 83 GLY HA3 1 84 LYS H . . 5.000 3.435 3.400 3.458 . 0 0 "[ . 1]" 1
723 1 84 LYS H 1 84 LYS HG2 . . 5.000 4.634 4.447 4.946 . 0 0 "[ . 1]" 1
724 1 84 LYS H 1 84 LYS HG3 . . 5.000 4.680 4.499 4.764 . 0 0 "[ . 1]" 1
725 1 84 LYS HA 1 85 LYS H . . 4.000 2.562 2.281 3.334 . 0 0 "[ . 1]" 1
726 1 84 LYS QB 1 85 LYS H . . 4.600 3.099 1.748 3.598 . 0 0 "[ . 1]" 1
727 1 84 LYS QB 1 88 GLU H . . 6.000 6.045 4.553 7.087 1.087 9 2 "[ - +1]" 1
728 1 84 LYS QB 1 89 LEU H . . 5.000 8.148 6.358 9.624 4.624 5 10 [****+****-] 1
729 1 84 LYS QD 1 89 LEU HA . . 6.000 8.342 3.859 10.656 4.656 9 8 "[**-** **+1]" 1
730 1 84 LYS QD 1 89 LEU QB . . 7.000 8.262 4.656 10.162 3.162 4 7 "[-* +* ***1]" 1
731 1 84 LYS QG 1 85 LYS H . . 6.000 2.000 1.814 2.296 . 0 0 "[ . 1]" 1
732 1 84 LYS QG 1 85 LYS HA . . 6.000 4.132 3.999 4.359 . 0 0 "[ . 1]" 1
733 1 84 LYS QG 1 89 LEU QB . . 7.000 7.760 5.392 9.129 2.129 9 7 "[-* ** **+1]" 1
734 1 85 LYS HA 1 86 ALA H . . 3.000 2.239 2.174 2.305 . 0 0 "[ . 1]" 1
735 1 85 LYS HA 1 86 ALA MB . . 6.000 4.082 4.052 4.128 . 0 0 "[ . 1]" 1
736 1 85 LYS HA 1 87 GLU H . . 5.000 3.694 3.475 4.191 . 0 0 "[ . 1]" 1
737 1 85 LYS QB 1 86 ALA H . . 5.600 3.419 2.833 3.747 . 0 0 "[ . 1]" 1
738 1 85 LYS QB 1 87 GLU QB . . 5.000 3.181 2.838 3.633 . 0 0 "[ . 1]" 1
739 1 85 LYS QB 1 88 GLU H . . 6.000 2.501 2.141 3.079 . 0 0 "[ . 1]" 1
740 1 85 LYS QE 1 87 GLU QB . . 7.000 4.655 2.309 5.966 . 0 0 "[ . 1]" 1
741 1 86 ALA H 1 87 GLU H . . 4.000 2.718 2.406 3.065 . 0 0 "[ . 1]" 1
742 1 86 ALA H 1 87 GLU QB . . 5.600 4.781 4.463 5.063 . 0 0 "[ . 1]" 1
743 1 86 ALA HA 1 87 GLU H . . 4.000 3.511 3.457 3.590 . 0 0 "[ . 1]" 1
744 1 86 ALA HA 1 89 LEU H . . 4.000 6.865 4.398 8.250 4.250 6 9 "[*- **+****]" 1
745 1 86 ALA HA 1 89 LEU QB . . 4.000 8.166 5.509 9.444 5.444 10 10 [**-******+] 1
746 1 86 ALA MB 1 87 GLU H . . 5.000 2.711 2.321 2.966 . 0 0 "[ . 1]" 1
747 1 86 ALA MB 1 88 GLU H . . 6.000 4.538 4.336 4.910 . 0 0 "[ . 1]" 1
748 1 86 ALA MB 1 89 LEU H . . 6.000 6.679 4.852 8.017 2.017 6 5 "[ *+* -*]" 1
749 1 87 GLU H 1 88 GLU H . . 4.000 2.576 2.310 2.851 . 0 0 "[ . 1]" 1
750 1 87 GLU HA 1 90 VAL HB . . 3.000 6.742 3.049 9.948 6.948 6 9 "[** **+-***]" 1
751 1 87 GLU QB 1 88 GLU H . . 5.600 2.699 2.332 3.083 . 0 0 "[ . 1]" 1
752 1 87 GLU QG 1 88 GLU H . . 6.000 4.134 3.714 4.570 . 0 0 "[ . 1]" 1
753 1 88 GLU QB 1 89 LEU HA . . 4.600 4.126 3.689 4.533 . 0 0 "[ . 1]" 1
754 1 89 LEU H 1 89 LEU HG . . 5.000 3.488 1.827 4.619 . 0 0 "[ . 1]" 1
755 1 89 LEU HA 1 90 VAL H . . 4.000 3.419 2.935 3.594 . 0 0 "[ . 1]" 1
756 1 89 LEU QB 1 90 VAL H . . 4.600 2.449 1.581 3.689 . 0 0 "[ . 1]" 1
757 1 89 LEU HG 1 90 VAL H . . 5.000 3.540 2.262 4.763 . 0 0 "[ . 1]" 1
758 1 89 LEU HG 1 90 VAL HB . . 5.000 4.986 3.335 5.532 0.532 9 2 "[ - . +1]" 1
759 1 90 VAL HA 1 90 VAL HB . . 3.000 2.894 2.527 3.037 0.037 10 0 "[ . 1]" 1
760 1 90 VAL HA 1 91 GLY H . . 4.000 2.857 2.187 3.594 . 0 0 "[ . 1]" 1
761 1 90 VAL HB 1 91 GLY H . . 4.000 3.630 1.790 4.426 0.426 7 0 "[ . 1]" 1
762 1 90 VAL HB 1 91 GLY QA . . 5.600 4.497 3.790 5.344 . 0 0 "[ . 1]" 1
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