NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436315 |
2k10   |
15665 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k10
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 421
_Distance_constraint_stats_list.Viol_count 3837
_Distance_constraint_stats_list.Viol_total 37002.902
_Distance_constraint_stats_list.Viol_max 2.772
_Distance_constraint_stats_list.Viol_rms 0.3898
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2197
_Distance_constraint_stats_list.Viol_average_violations_only 0.4822
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 11.403 0.744 20 8 "[ ** . -*** . *+]"
1 2 ILE 39.875 1.121 3 17 "[**+ **** -*** ******]"
1 3 LEU 22.991 1.121 3 15 "[* + **** *** ***-**]"
1 4 SER 41.607 1.389 19 20 [*********-********+*]
1 5 SER 53.078 1.398 16 20 [*************-*+****]
1 6 PHE 117.400 1.398 16 20 [*********-*****+****]
1 7 LYS 83.538 1.389 19 20 [*-****************+*]
1 8 GLY 63.354 1.328 11 20 [*-********+*********]
1 9 VAL 91.498 1.202 2 20 [*+*************-****]
1 10 ALA 124.224 1.523 4 20 [***+*************-**]
1 11 LYS 104.612 1.332 8 20 [*******+*********-**]
1 12 GLY 98.427 1.329 1 20 [+**********-********]
1 13 VAL 136.213 1.523 4 20 [***+*******-********]
1 14 ALA 49.245 1.193 9 20 [********+-**********]
1 15 LYS 84.285 1.323 9 20 [*-******+***********]
1 16 ASP 120.591 1.356 10 20 [*********+***-******]
1 17 LEU 86.938 1.231 11 20 [********-*+*********]
1 18 ALA 88.302 1.356 10 20 [********-+**********]
1 19 GLY 246.718 2.598 7 20 [******+*************]
1 20 LYS 186.107 1.618 14 20 [******-******+******]
1 21 LEU 75.422 1.618 14 20 [*************+*****-]
1 22 LEU 158.954 2.598 7 20 [****-*+*************]
1 23 GLU 146.446 2.176 10 20 [****-****+**********]
1 24 THR 160.582 2.772 9 20 [*****-**+***********]
1 25 LEU 258.524 2.101 19 20 [*****-************+*]
1 26 LYS 258.841 1.920 3 20 [**+********-********]
1 27 CYS 112.440 1.920 3 20 [**+*****************]
1 28 LYS 222.344 2.772 9 20 [********+*********-*]
1 29 ILE 75.185 1.005 12 20 [-**********+********]
1 30 THR 88.056 1.122 12 20 [********-**+********]
1 31 GLY 48.001 1.337 13 15 "[ *-*********+ . ** *]"
1 32 CYS 45.956 0.987 12 20 [**-********+********]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY HA2 1 2 ILE H . . 2.400 2.498 2.390 2.594 0.194 9 0 "[ . 1 . 2]" 1
2 1 1 GLY HA3 1 2 ILE H . . 2.400 2.871 2.718 3.144 0.744 20 8 "[ ** . -*** . *+]" 1
3 1 2 ILE H 1 2 ILE HB . . 3.110 2.522 2.476 2.547 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 2 ILE QG . . 2.400 2.420 2.388 2.496 0.096 16 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 2 ILE MG . . 3.450 3.853 3.817 3.866 0.416 4 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 3 LEU H . . 2.400 2.540 2.496 2.615 0.215 8 0 "[ . 1 . 2]" 1
7 1 2 ILE HA 1 2 ILE MG . . 3.420 2.456 2.437 2.482 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE HA 1 3 LEU H . . 3.730 3.694 3.686 3.704 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE HA 1 5 SER H . . 4.720 3.432 3.283 3.749 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE HA 1 5 SER QB . . 3.300 3.064 2.905 3.512 0.212 9 0 "[ . 1 . 2]" 1
11 1 2 ILE HB 1 2 ILE QG . . 2.400 2.418 2.408 2.426 0.026 7 0 "[ . 1 . 2]" 1
12 1 2 ILE HB 1 3 LEU H . . 2.400 2.521 2.417 2.677 0.277 5 0 "[ . 1 . 2]" 1
13 1 2 ILE MD 1 3 LEU H . . 5.810 4.568 4.483 4.709 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE MG 1 3 LEU QB . . 3.640 4.348 4.101 4.761 1.121 3 15 "[* + **** *** ***-**]" 1
15 1 3 LEU H 1 3 LEU HA . . 2.860 2.807 2.723 2.860 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU H 1 3 LEU QB . . 2.830 2.459 2.390 2.502 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU H 1 3 LEU QD . . 3.540 2.882 2.185 3.314 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU HA 1 3 LEU QB . . 2.400 2.275 2.161 2.508 0.108 6 0 "[ . 1 . 2]" 1
19 1 3 LEU HA 1 3 LEU QD . . 3.420 3.065 2.107 3.482 0.062 8 0 "[ . 1 . 2]" 1
20 1 3 LEU HA 1 4 SER H . . 3.610 3.659 3.638 3.691 0.081 7 0 "[ . 1 . 2]" 1
21 1 3 LEU HA 1 6 PHE H . . 3.520 3.136 3.010 3.245 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU HA 1 6 PHE QB . . 3.280 2.551 2.411 2.858 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU HA 1 6 PHE QD . . 5.060 3.913 2.656 4.630 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU HA 1 7 LYS H . . 3.830 3.363 3.167 3.529 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU QB 1 4 SER H . . 3.830 3.335 2.521 3.734 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU QB 1 6 PHE QB . . 6.160 4.068 3.802 4.351 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU QD 1 4 SER H . . 5.030 3.167 2.304 4.227 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU QD 1 5 SER QB . . 6.210 5.879 5.407 6.069 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU QD 1 6 PHE QB . . 4.730 4.308 2.830 5.057 0.327 8 0 "[ . 1 . 2]" 1
30 1 4 SER H 1 4 SER HA . . 2.930 2.813 2.747 2.860 . 0 0 "[ . 1 . 2]" 1
31 1 4 SER H 1 4 SER HB3 . . 2.400 2.589 2.539 2.628 0.228 1 0 "[ . 1 . 2]" 1
32 1 4 SER H 1 6 PHE QD . . 7.160 6.152 5.608 7.361 0.201 7 0 "[ . 1 . 2]" 1
33 1 4 SER HA 1 4 SER HB2 . . 2.400 2.454 2.408 2.490 0.090 19 0 "[ . 1 . 2]" 1
34 1 4 SER HA 1 4 SER HB3 . . 2.400 2.499 2.444 2.536 0.136 15 0 "[ . 1 . 2]" 1
35 1 4 SER HA 1 5 SER H . . 3.760 3.661 3.647 3.672 . 0 0 "[ . 1 . 2]" 1
36 1 4 SER HA 1 6 PHE H . . 4.170 4.674 4.463 4.931 0.761 16 10 "[ *****-* *+ * 2]" 1
37 1 4 SER HA 1 7 LYS H . . 4.510 4.071 3.867 4.230 . 0 0 "[ . 1 . 2]" 1
38 1 4 SER HA 1 7 LYS QB . . 3.280 4.443 4.235 4.669 1.389 19 20 [***-**************+*] 1
39 1 4 SER HA 1 7 LYS QD . . 5.640 3.983 3.093 4.278 . 0 0 "[ . 1 . 2]" 1
40 1 4 SER HA 1 7 LYS QG . . 5.500 2.387 2.263 2.574 . 0 0 "[ . 1 . 2]" 1
41 1 4 SER HA 1 8 GLY H . . 5.500 3.877 3.639 4.160 . 0 0 "[ . 1 . 2]" 1
42 1 5 SER H 1 5 SER HA . . 2.710 2.863 2.809 2.910 0.200 7 0 "[ . 1 . 2]" 1
43 1 5 SER H 1 5 SER QB . . 3.080 2.545 2.494 2.588 . 0 0 "[ . 1 . 2]" 1
44 1 5 SER H 1 6 PHE H . . 2.460 2.756 2.598 2.878 0.418 2 0 "[ . 1 . 2]" 1
45 1 5 SER H 1 6 PHE QB . . 3.590 4.765 4.455 4.988 1.398 16 20 [******-********+****] 1
46 1 5 SER HA 1 5 SER QB . . 2.400 2.389 2.365 2.398 . 0 0 "[ . 1 . 2]" 1
47 1 5 SER HA 1 6 PHE H . . 3.300 3.677 3.661 3.717 0.417 15 0 "[ . 1 . 2]" 1
48 1 5 SER HA 1 6 PHE QB . . 5.790 5.539 5.350 5.652 . 0 0 "[ . 1 . 2]" 1
49 1 5 SER HA 1 7 LYS H . . 4.540 5.182 4.892 5.339 0.799 5 18 "[****+* *****-******]" 1
50 1 5 SER HA 1 8 GLY H . . 4.200 3.631 3.369 3.813 . 0 0 "[ . 1 . 2]" 1
51 1 5 SER HA 1 9 VAL H . . 5.070 4.143 4.000 4.709 . 0 0 "[ . 1 . 2]" 1
52 1 5 SER HA 1 9 VAL QG . . 6.520 3.528 3.125 3.770 . 0 0 "[ . 1 . 2]" 1
53 1 5 SER QB 1 6 PHE H . . 2.710 2.593 2.500 2.667 . 0 0 "[ . 1 . 2]" 1
54 1 5 SER QB 1 9 VAL QG . . 6.520 3.626 3.154 3.884 . 0 0 "[ . 1 . 2]" 1
55 1 6 PHE H 1 6 PHE HA . . 2.830 2.864 2.827 2.905 0.075 12 0 "[ . 1 . 2]" 1
56 1 6 PHE H 1 6 PHE QB . . 3.280 2.376 2.259 2.552 . 0 0 "[ . 1 . 2]" 1
57 1 6 PHE H 1 6 PHE QD . . 5.640 2.883 2.368 4.181 . 0 0 "[ . 1 . 2]" 1
58 1 6 PHE H 1 7 LYS H . . 2.860 2.936 2.833 3.052 0.192 18 0 "[ . 1 . 2]" 1
59 1 6 PHE H 1 8 GLY H . . 5.500 3.941 3.790 4.089 . 0 0 "[ . 1 . 2]" 1
60 1 6 PHE H 1 9 VAL QG . . 6.520 5.188 4.867 5.366 . 0 0 "[ . 1 . 2]" 1
61 1 6 PHE HA 1 7 LYS H . . 3.580 3.708 3.671 3.726 0.146 5 0 "[ . 1 . 2]" 1
62 1 6 PHE HA 1 8 GLY H . . 4.350 4.260 4.108 4.384 0.034 5 0 "[ . 1 . 2]" 1
63 1 6 PHE HA 1 9 VAL H . . 3.670 3.307 3.147 3.482 . 0 0 "[ . 1 . 2]" 1
64 1 6 PHE HA 1 9 VAL HB . . 2.740 3.360 3.011 3.582 0.842 2 15 "[*+*-** *****. ****]" 1
65 1 6 PHE HA 1 9 VAL QG . . 3.420 4.026 3.806 4.189 0.769 2 16 "[*+**** -*****. ****]" 1
66 1 6 PHE HA 1 10 ALA H . . 3.360 2.603 2.468 2.999 . 0 0 "[ . 1 . 2]" 1
67 1 6 PHE HA 1 10 ALA MB . . 6.520 2.911 2.701 3.307 . 0 0 "[ . 1 . 2]" 1
68 1 6 PHE QB 1 7 LYS H . . 3.280 2.524 2.462 2.694 . 0 0 "[ . 1 . 2]" 1
69 1 6 PHE QB 1 7 LYS HA . . 3.750 3.814 3.635 4.168 0.418 19 0 "[ . 1 . 2]" 1
70 1 6 PHE QB 1 7 LYS QB . . 6.520 4.024 3.950 4.105 . 0 0 "[ . 1 . 2]" 1
71 1 6 PHE QB 1 7 LYS QG . . 6.380 4.537 4.447 4.626 . 0 0 "[ . 1 . 2]" 1
72 1 6 PHE QB 1 8 GLY H . . 4.150 4.579 4.531 4.639 0.489 14 0 "[ . 1 . 2]" 1
73 1 6 PHE QB 1 9 VAL H . . 4.180 4.814 4.585 5.032 0.852 14 17 "[******* -****+. ****]" 1
74 1 6 PHE QB 1 9 VAL HB . . 4.580 5.381 5.105 5.568 0.988 13 20 [************+**-****] 1
75 1 6 PHE QB 1 9 VAL QG . . 6.660 5.296 5.112 5.427 . 0 0 "[ . 1 . 2]" 1
76 1 6 PHE QB 1 10 ALA H . . 4.580 4.056 3.679 4.678 0.098 14 0 "[ . 1 . 2]" 1
77 1 6 PHE QD 1 7 LYS H . . 6.020 4.395 3.718 4.578 . 0 0 "[ . 1 . 2]" 1
78 1 6 PHE QD 1 7 LYS HA . . 6.020 5.279 3.737 5.823 . 0 0 "[ . 1 . 2]" 1
79 1 6 PHE QD 1 9 VAL HB . . 6.330 5.189 4.304 5.644 . 0 0 "[ . 1 . 2]" 1
80 1 6 PHE QD 1 9 VAL QG . . 6.850 5.069 4.485 5.390 . 0 0 "[ . 1 . 2]" 1
81 1 6 PHE QD 1 10 ALA MB . . 8.650 2.540 2.396 2.823 . 0 0 "[ . 1 . 2]" 1
82 1 6 PHE QE 1 9 VAL QG . . 8.650 5.612 5.319 5.945 . 0 0 "[ . 1 . 2]" 1
83 1 6 PHE QE 1 10 ALA MB . . 8.560 3.555 2.613 4.311 . 0 0 "[ . 1 . 2]" 1
84 1 7 LYS H 1 7 LYS QB . . 3.280 2.460 2.429 2.500 . 0 0 "[ . 1 . 2]" 1
85 1 7 LYS H 1 7 LYS QD . . 4.150 4.214 4.110 4.301 0.151 17 0 "[ . 1 . 2]" 1
86 1 7 LYS H 1 7 LYS QG . . 2.400 2.535 2.429 2.676 0.276 2 0 "[ . 1 . 2]" 1
87 1 7 LYS H 1 8 GLY H . . 2.550 2.872 2.769 2.970 0.420 12 0 "[ . 1 . 2]" 1
88 1 7 LYS H 1 9 VAL H . . 4.660 4.445 4.213 4.606 . 0 0 "[ . 1 . 2]" 1
89 1 7 LYS HA 1 8 GLY H . . 3.270 3.641 3.591 3.670 0.400 19 0 "[ . 1 . 2]" 1
90 1 7 LYS HA 1 9 VAL H . . 4.380 4.345 3.725 4.598 0.218 12 0 "[ . 1 . 2]" 1
91 1 7 LYS QB 1 8 GLY H . . 3.280 3.749 3.678 3.872 0.592 8 4 "[ - . *+ 1 * 2]" 1
92 1 7 LYS QB 1 9 VAL H . . 6.380 5.331 4.938 5.507 . 0 0 "[ . 1 . 2]" 1
93 1 7 LYS QD 1 11 LYS H . . 4.710 5.327 5.039 5.696 0.986 8 16 "[* **.**+**-** **** *]" 1
94 1 7 LYS QG 1 8 GLY H . . 2.520 2.484 2.377 2.778 0.258 8 0 "[ . 1 . 2]" 1
95 1 8 GLY H 1 9 VAL H . . 2.400 2.764 2.631 2.888 0.488 19 0 "[ . 1 . 2]" 1
96 1 8 GLY H 1 9 VAL HB . . 5.500 5.058 4.515 5.224 . 0 0 "[ . 1 . 2]" 1
97 1 8 GLY H 1 9 VAL QG . . 6.520 4.212 3.753 4.386 . 0 0 "[ . 1 . 2]" 1
98 1 8 GLY H 1 10 ALA H . . 3.450 4.622 4.505 4.778 1.328 11 20 [*******-**+*********] 1
99 1 8 GLY H 1 10 ALA MB . . 6.520 5.327 5.091 5.515 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLY H 1 11 LYS H . . 5.500 4.862 4.790 4.936 . 0 0 "[ . 1 . 2]" 1
101 1 8 GLY QA 1 11 LYS H . . 5.360 4.682 4.563 4.812 . 0 0 "[ . 1 . 2]" 1
102 1 8 GLY QA 1 11 LYS QB . . 6.510 4.650 4.322 4.898 . 0 0 "[ . 1 . 2]" 1
103 1 9 VAL H 1 9 VAL HB . . 2.800 2.522 2.480 2.773 . 0 0 "[ . 1 . 2]" 1
104 1 9 VAL H 1 9 VAL QG . . 3.420 2.555 2.461 2.985 . 0 0 "[ . 1 . 2]" 1
105 1 9 VAL H 1 10 ALA H . . 2.400 2.470 2.301 2.527 0.127 16 0 "[ . 1 . 2]" 1
106 1 9 VAL H 1 10 ALA MB . . 5.370 4.157 3.945 4.244 . 0 0 "[ . 1 . 2]" 1
107 1 9 VAL H 1 11 LYS H . . 2.710 3.718 2.875 3.912 1.202 2 18 "[*+**** ******-*****]" 1
108 1 9 VAL HA 1 10 ALA H . . 3.890 3.682 3.672 3.707 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL HA 1 11 LYS H . . 3.950 4.350 4.233 4.427 0.477 4 0 "[ . 1 . 2]" 1
110 1 9 VAL HB 1 10 ALA H . . 3.140 2.391 2.374 2.437 . 0 0 "[ . 1 . 2]" 1
111 1 9 VAL HB 1 10 ALA MB . . 5.840 3.931 3.783 4.077 . 0 0 "[ . 1 . 2]" 1
112 1 9 VAL HB 1 11 LYS H . . 5.500 4.985 4.786 5.065 . 0 0 "[ . 1 . 2]" 1
113 1 9 VAL QG 1 10 ALA H . . 3.420 3.027 2.973 3.070 . 0 0 "[ . 1 . 2]" 1
114 1 9 VAL QG 1 12 GLY H . . 5.150 4.790 4.537 5.198 0.048 8 0 "[ . 1 . 2]" 1
115 1 10 ALA H 1 10 ALA MB . . 3.420 2.272 2.262 2.291 . 0 0 "[ . 1 . 2]" 1
116 1 10 ALA H 1 11 LYS H . . 2.400 2.991 2.817 3.064 0.664 2 18 "[*+**** -***********]" 1
117 1 10 ALA HA 1 11 LYS H . . 3.140 3.623 3.559 3.655 0.515 1 5 "[+* *. 1 * - 2]" 1
118 1 10 ALA HA 1 12 GLY H . . 3.050 4.027 3.820 4.224 1.174 1 20 [+******-************] 1
119 1 10 ALA HA 1 13 VAL HB . . 2.400 2.381 2.299 2.475 0.075 11 0 "[ . 1 . 2]" 1
120 1 10 ALA HA 1 13 VAL QG . . 3.420 3.259 2.960 3.372 . 0 0 "[ . 1 . 2]" 1
121 1 10 ALA MB 1 11 LYS H . . 3.420 2.973 2.673 3.307 . 0 0 "[ . 1 . 2]" 1
122 1 10 ALA MB 1 12 GLY H . . 3.420 4.678 4.521 4.749 1.329 1 20 [+******-************] 1
123 1 10 ALA MB 1 13 VAL H . . 3.420 4.135 3.929 4.357 0.937 4 20 [**-+****************] 1
124 1 10 ALA MB 1 13 VAL HA . . 4.290 5.206 4.845 5.813 1.523 4 20 [**-+****************] 1
125 1 11 LYS H 1 11 LYS HA . . 2.990 2.702 2.626 2.746 . 0 0 "[ . 1 . 2]" 1
126 1 11 LYS H 1 11 LYS QB . . 3.280 2.520 2.391 2.585 . 0 0 "[ . 1 . 2]" 1
127 1 11 LYS H 1 11 LYS QD . . 3.310 3.923 2.264 4.542 1.232 3 18 "[**+*** **********-*]" 1
128 1 11 LYS H 1 11 LYS QG . . 2.430 2.564 2.343 3.762 1.332 8 2 "[ . -+ 1 . 2]" 1
129 1 11 LYS H 1 13 VAL QG . . 6.520 5.196 5.033 5.334 . 0 0 "[ . 1 . 2]" 1
130 1 11 LYS HA 1 12 GLY H . . 3.140 3.656 3.556 3.676 0.536 4 19 "[**-+*** ************]" 1
131 1 11 LYS QB 1 12 GLY H . . 3.280 3.642 3.588 3.942 0.662 8 1 "[ . + 1 . 2]" 1
132 1 11 LYS QD 1 12 GLY H . . 3.960 4.314 2.317 4.517 0.557 19 12 "[** .- *** *.***+*]" 1
133 1 11 LYS QG 1 12 GLY H . . 4.630 2.398 2.281 3.338 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLY H 1 13 VAL H . . 2.400 2.912 2.603 3.038 0.638 11 14 "[*** ** *+- *.*****]" 1
135 1 12 GLY H 1 13 VAL HA . . 4.380 4.369 4.042 4.531 0.151 1 0 "[ . 1 . 2]" 1
136 1 12 GLY H 1 13 VAL HB . . 3.640 4.468 3.990 4.731 1.091 11 18 "[*** *** **+***-*****]" 1
137 1 12 GLY H 1 13 VAL QG . . 5.900 4.524 4.210 4.671 . 0 0 "[ . 1 . 2]" 1
138 1 12 GLY QA 1 13 VAL H . . 3.280 2.837 2.771 2.902 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLY QA 1 15 LYS H . . 6.100 3.992 3.696 4.393 . 0 0 "[ . 1 . 2]" 1
140 1 13 VAL H 1 13 VAL HA . . 2.770 2.858 2.816 2.899 0.129 15 0 "[ . 1 . 2]" 1
141 1 13 VAL H 1 13 VAL HB . . 2.400 2.553 2.495 2.605 0.205 14 0 "[ . 1 . 2]" 1
142 1 13 VAL H 1 13 VAL QG . . 3.420 2.315 2.267 2.390 . 0 0 "[ . 1 . 2]" 1
143 1 13 VAL H 1 16 ASP QB . . 4.510 4.702 4.524 4.889 0.379 2 0 "[ . 1 . 2]" 1
144 1 13 VAL HA 1 13 VAL HB . . 2.400 2.502 2.477 2.549 0.149 9 0 "[ . 1 . 2]" 1
145 1 13 VAL HA 1 14 ALA MB . . 5.650 5.098 5.051 5.135 . 0 0 "[ . 1 . 2]" 1
146 1 13 VAL HA 1 15 LYS H . . 4.480 4.566 4.334 4.892 0.412 17 0 "[ . 1 . 2]" 1
147 1 13 VAL HA 1 16 ASP H . . 3.420 3.538 3.268 3.795 0.375 17 0 "[ . 1 . 2]" 1
148 1 13 VAL HA 1 16 ASP HA . . 5.500 5.249 5.104 5.513 0.013 2 0 "[ . 1 . 2]" 1
149 1 13 VAL HA 1 16 ASP QB . . 2.400 2.533 2.376 3.001 0.601 2 1 "[ + . 1 . 2]" 1
150 1 13 VAL HA 1 17 LEU H . . 2.770 3.205 2.964 3.452 0.682 11 6 "[ - . *+** . *2]" 1
151 1 13 VAL HB 1 14 ALA MB . . 4.910 5.658 5.598 5.723 0.813 4 20 [***+*****-**********] 1
152 1 13 VAL HB 1 15 LYS H . . 5.500 6.343 6.128 6.703 1.203 17 20 [****************+**-] 1
153 1 13 VAL QG 1 14 ALA H . . 3.420 2.346 2.280 2.477 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL QG 1 16 ASP H . . 3.820 4.463 4.285 4.644 0.824 7 19 "[******+* *-*********]" 1
155 1 13 VAL QG 1 16 ASP QB . . 3.420 3.617 3.297 4.128 0.708 2 2 "[ + . - 1 . 2]" 1
156 1 14 ALA H 1 14 ALA MB . . 3.420 2.309 2.296 2.317 . 0 0 "[ . 1 . 2]" 1
157 1 14 ALA H 1 15 LYS H . . 3.020 3.196 3.030 3.441 0.421 17 0 "[ . 1 . 2]" 1
158 1 14 ALA H 1 15 LYS QB . . 5.170 5.182 4.849 5.484 0.314 17 0 "[ . 1 . 2]" 1
159 1 14 ALA H 1 17 LEU H . . 4.540 4.907 4.861 5.185 0.645 11 2 "[ . -+ . 2]" 1
160 1 14 ALA HA 1 15 LYS H . . 3.890 3.676 3.651 3.713 . 0 0 "[ . 1 . 2]" 1
161 1 14 ALA MB 1 15 LYS H . . 3.420 2.422 2.350 2.489 . 0 0 "[ . 1 . 2]" 1
162 1 14 ALA MB 1 15 LYS QB . . 7.060 3.815 3.393 4.185 . 0 0 "[ . 1 . 2]" 1
163 1 14 ALA MB 1 16 ASP H . . 3.420 4.514 4.409 4.613 1.193 9 20 [********+**-********] 1
164 1 15 LYS H 1 15 LYS QB . . 3.280 2.384 2.279 2.552 . 0 0 "[ . 1 . 2]" 1
165 1 15 LYS H 1 15 LYS QD . . 4.460 4.215 2.317 4.871 0.411 8 0 "[ . 1 . 2]" 1
166 1 15 LYS H 1 15 LYS QG . . 3.530 3.342 2.362 4.115 0.585 9 10 "[ -* . **+1 **** *2]" 1
167 1 15 LYS H 1 16 ASP H . . 2.400 2.510 2.424 2.703 0.303 11 0 "[ . 1 . 2]" 1
168 1 15 LYS H 1 16 ASP HA . . 5.500 5.079 4.996 5.204 . 0 0 "[ . 1 . 2]" 1
169 1 15 LYS H 1 16 ASP QB . . 4.760 4.357 4.261 4.881 0.121 11 0 "[ . 1 . 2]" 1
170 1 15 LYS H 1 17 LEU H . . 3.700 4.225 3.999 4.931 1.231 11 8 "[ * .* -*+* . * *]" 1
171 1 15 LYS H 1 18 ALA H . . 5.500 5.558 5.192 5.840 0.340 9 0 "[ . 1 . 2]" 1
172 1 15 LYS HA 1 16 ASP H . . 3.140 3.671 3.633 3.687 0.547 20 19 "[********-** *******+]" 1
173 1 15 LYS HA 1 18 ALA MB . . 3.420 3.642 2.848 4.202 0.782 9 2 "[ - . +1 . 2]" 1
174 1 15 LYS QB 1 16 ASP H . . 3.280 2.603 2.451 3.606 0.326 12 0 "[ . 1 . 2]" 1
175 1 15 LYS QB 1 16 ASP HA . . 3.500 3.835 3.526 4.284 0.784 12 5 "[ . 1 +*** -2]" 1
176 1 15 LYS QB 1 18 ALA H . . 4.550 5.304 4.856 5.873 1.323 9 16 "[***** **+- ***** **2]" 1
177 1 15 LYS QG 1 16 ASP H . . 4.210 3.894 2.329 4.486 0.276 4 0 "[ . 1 . 2]" 1
178 1 16 ASP H 1 16 ASP HA . . 2.800 2.802 2.729 2.868 0.068 9 0 "[ . 1 . 2]" 1
179 1 16 ASP H 1 16 ASP QB . . 2.400 2.296 2.245 2.579 0.179 11 0 "[ . 1 . 2]" 1
180 1 16 ASP H 1 17 LEU H . . 2.400 2.923 2.734 3.251 0.851 11 13 "[ **.** *+ *****- *]" 1
181 1 16 ASP HA 1 16 ASP QB . . 2.400 2.420 2.398 2.447 0.047 5 0 "[ . 1 . 2]" 1
182 1 16 ASP HA 1 17 LEU H . . 3.610 3.624 3.584 3.726 0.116 11 0 "[ . 1 . 2]" 1
183 1 16 ASP HA 1 18 ALA H . . 4.040 4.471 4.344 4.679 0.639 10 2 "[ . + -. 2]" 1
184 1 16 ASP HA 1 18 ALA MB . . 3.820 4.803 4.600 5.176 1.356 10 20 [*******-*+**********] 1
185 1 16 ASP HA 1 19 GLY H . . 3.330 2.946 2.764 3.343 0.013 10 0 "[ . 1 . 2]" 1
186 1 16 ASP HA 1 20 LYS H . . 4.110 4.230 3.986 4.476 0.366 7 0 "[ . 1 . 2]" 1
187 1 16 ASP QB 1 17 LEU H . . 2.400 2.870 2.480 3.195 0.795 2 11 "[*+ ******1 ** - 2]" 1
188 1 16 ASP QB 1 17 LEU HA . . 4.850 4.043 3.791 4.132 . 0 0 "[ . 1 . 2]" 1
189 1 17 LEU H 1 17 LEU HA . . 3.020 2.762 2.713 2.794 . 0 0 "[ . 1 . 2]" 1
190 1 17 LEU H 1 17 LEU QB . . 2.400 2.275 2.238 2.493 0.093 11 0 "[ . 1 . 2]" 1
191 1 17 LEU H 1 17 LEU MD1 . . 4.380 4.215 3.657 4.363 . 0 0 "[ . 1 . 2]" 1
192 1 17 LEU H 1 17 LEU MD2 . . 4.160 4.316 3.797 4.389 0.229 9 0 "[ . 1 . 2]" 1
193 1 17 LEU H 1 18 ALA H . . 2.430 2.953 2.850 3.120 0.690 10 11 "[ .* -+* *******]" 1
194 1 17 LEU HA 1 17 LEU QB . . 2.430 2.586 2.506 2.637 0.207 20 0 "[ . 1 . 2]" 1
195 1 17 LEU HA 1 17 LEU MD2 . . 3.850 2.334 2.243 2.424 . 0 0 "[ . 1 . 2]" 1
196 1 17 LEU HA 1 18 ALA H . . 3.390 3.654 3.635 3.674 0.284 10 0 "[ . 1 . 2]" 1
197 1 17 LEU HA 1 18 ALA MB . . 5.560 5.143 5.128 5.152 . 0 0 "[ . 1 . 2]" 1
198 1 17 LEU HA 1 20 LYS H . . 3.730 3.451 3.326 3.666 . 0 0 "[ . 1 . 2]" 1
199 1 17 LEU HA 1 20 LYS QB . . 2.400 3.252 2.831 3.507 1.107 19 19 "[**-******* *******+*]" 1
200 1 17 LEU QB 1 18 ALA H . . 3.360 2.499 2.424 2.613 . 0 0 "[ . 1 . 2]" 1
201 1 17 LEU QB 1 20 LYS H . . 4.880 4.865 4.684 4.984 0.104 9 0 "[ . 1 . 2]" 1
202 1 17 LEU MD2 1 18 ALA H . . 6.520 4.138 3.787 4.924 . 0 0 "[ . 1 . 2]" 1
203 1 17 LEU MD2 1 20 LYS QB . . 5.500 3.330 2.859 3.868 . 0 0 "[ . 1 . 2]" 1
204 1 18 ALA H 1 18 ALA HA . . 3.050 2.856 2.824 2.884 . 0 0 "[ . 1 . 2]" 1
205 1 18 ALA H 1 18 ALA MB . . 3.420 2.287 2.270 2.306 . 0 0 "[ . 1 . 2]" 1
206 1 18 ALA H 1 19 GLY H . . 2.400 2.775 2.696 2.875 0.475 11 0 "[ . 1 . 2]" 1
207 1 18 ALA H 1 20 LYS H . . 3.580 4.214 4.041 4.402 0.822 3 19 "[**+******* ********-]" 1
208 1 18 ALA HA 1 19 GLY H . . 3.580 3.681 3.673 3.698 0.118 11 0 "[ . 1 . 2]" 1
209 1 18 ALA HA 1 20 LYS H . . 4.600 4.052 3.902 4.500 . 0 0 "[ . 1 . 2]" 1
210 1 18 ALA HA 1 21 LEU HB2 . . 4.660 3.266 2.963 3.767 . 0 0 "[ . 1 . 2]" 1
211 1 18 ALA HA 1 22 LEU H . . 4.290 2.860 2.630 3.438 . 0 0 "[ . 1 . 2]" 1
212 1 18 ALA MB 1 19 GLY H . . 3.420 2.577 2.457 2.645 . 0 0 "[ . 1 . 2]" 1
213 1 18 ALA MB 1 19 GLY QA . . 4.260 3.636 3.541 3.692 . 0 0 "[ . 1 . 2]" 1
214 1 19 GLY H 1 19 GLY QA . . 2.400 2.222 2.216 2.231 . 0 0 "[ . 1 . 2]" 1
215 1 19 GLY H 1 20 LYS H . . 2.400 3.022 2.895 3.083 0.683 9 19 "[********+* ********-]" 1
216 1 19 GLY QA 1 20 LYS H . . 2.400 2.916 2.747 3.049 0.649 11 12 "[ * . -* *+ *******]" 1
217 1 19 GLY QA 1 21 LEU H . . 4.450 4.895 4.673 5.080 0.630 15 9 "[ . ** **+* **-]" 1
218 1 19 GLY QA 1 22 LEU H . . 3.330 4.334 3.878 4.484 1.154 15 20 [**-***********+*****] 1
219 1 19 GLY QA 1 22 LEU QB . . 2.990 4.251 3.790 4.359 1.369 7 20 [**-***+*************] 1
220 1 19 GLY QA 1 22 LEU QD . . 5.300 5.245 4.828 5.372 0.072 2 0 "[ . 1 . 2]" 1
221 1 19 GLY QA 1 22 LEU HG . . 3.520 5.954 5.392 6.118 2.598 7 20 [**-***+*************] 1
222 1 19 GLY QA 1 23 GLU H . . 4.170 4.928 4.717 5.106 0.936 10 20 [*********+-*********] 1
223 1 19 GLY QA 1 23 GLU QB . . 2.400 4.441 4.290 4.576 2.176 10 20 [*********+-*********] 1
224 1 19 GLY QA 1 25 LEU H . . 4.110 6.075 5.710 6.211 2.101 19 20 [**********-*******+*] 1
225 1 19 GLY QA 1 26 LYS H . . 4.880 4.938 4.644 5.108 0.228 6 0 "[ . 1 . 2]" 1
226 1 19 GLY QA 1 27 CYS H . . 4.040 3.262 2.747 3.503 . 0 0 "[ . 1 . 2]" 1
227 1 19 GLY QA 1 27 CYS QB . . 3.020 3.287 2.511 4.436 1.416 1 7 "[+ * . 1 - *** *2]" 1
228 1 19 GLY QA 1 28 LYS H . . 5.500 5.787 5.265 6.207 0.707 1 3 "[+ . 1 * . -2]" 1
229 1 20 LYS H 1 20 LYS HA . . 2.740 2.964 2.862 3.008 0.268 11 0 "[ . 1 . 2]" 1
230 1 20 LYS H 1 20 LYS QB . . 2.930 2.439 2.346 2.517 . 0 0 "[ . 1 . 2]" 1
231 1 20 LYS H 1 20 LYS QD . . 2.650 2.988 2.329 4.169 1.519 15 7 "[ . 1 *+**-**]" 1
232 1 20 LYS H 1 20 LYS QG . . 2.770 3.345 2.616 3.889 1.119 11 13 "[*-********+** . 2]" 1
233 1 20 LYS H 1 21 LEU H . . 2.770 2.671 2.476 2.991 0.221 3 0 "[ . 1 . 2]" 1
234 1 20 LYS H 1 22 LEU H . . 4.380 3.864 3.456 4.192 . 0 0 "[ . 1 . 2]" 1
235 1 20 LYS HA 1 20 LYS QD . . 2.400 2.586 2.203 3.082 0.682 6 7 "[** *+**-1 . 2]" 1
236 1 20 LYS HA 1 20 LYS QG . . 2.990 2.617 2.380 3.043 0.053 18 0 "[ . 1 . 2]" 1
237 1 20 LYS HA 1 21 LEU H . . 4.140 3.701 3.674 3.720 . 0 0 "[ . 1 . 2]" 1
238 1 20 LYS HA 1 21 LEU QD . . 6.230 5.156 5.005 5.268 . 0 0 "[ . 1 . 2]" 1
239 1 20 LYS HA 1 22 LEU H . . 4.170 4.728 4.578 4.972 0.802 2 11 "[*+ ******1 ** . - 2]" 1
240 1 20 LYS HA 1 22 LEU QB . . 5.500 6.310 6.156 6.508 1.008 2 20 [*+************-*****] 1
241 1 20 LYS HA 1 23 GLU H . . 4.010 4.047 3.845 4.281 0.271 2 0 "[ . 1 . 2]" 1
242 1 20 LYS HA 1 23 GLU QB . . 2.430 2.732 2.476 3.068 0.638 3 3 "[ + . 1 *- . 2]" 1
243 1 20 LYS HA 1 23 GLU QG . . 5.500 4.254 3.990 4.709 . 0 0 "[ . 1 . 2]" 1
244 1 20 LYS HA 1 24 THR H . . 5.410 6.274 6.038 6.543 1.133 6 20 [*****+********-*****] 1
245 1 20 LYS HA 1 24 THR MG . . 6.520 7.343 7.163 7.562 1.042 3 20 [**+***********-*****] 1
246 1 20 LYS QB 1 21 LEU H . . 2.400 2.407 2.369 2.458 0.058 17 0 "[ . 1 . 2]" 1
247 1 20 LYS QB 1 22 LEU H . . 5.500 4.617 4.553 4.692 . 0 0 "[ . 1 . 2]" 1
248 1 20 LYS QB 1 23 GLU H . . 4.660 5.068 4.981 5.187 0.527 13 2 "[ - . 1 + . 2]" 1
249 1 20 LYS QD 1 21 LEU H . . 3.420 4.510 4.029 5.038 1.618 14 20 [*-***********+******] 1
250 1 21 LEU H 1 21 LEU HA . . 3.020 2.861 2.814 2.879 . 0 0 "[ . 1 . 2]" 1
251 1 21 LEU H 1 21 LEU HB2 . . 2.770 2.628 2.587 2.697 . 0 0 "[ . 1 . 2]" 1
252 1 21 LEU H 1 21 LEU HB3 . . 3.760 3.710 3.696 3.720 . 0 0 "[ . 1 . 2]" 1
253 1 21 LEU H 1 21 LEU QD . . 4.500 3.143 3.012 3.222 . 0 0 "[ . 1 . 2]" 1
254 1 21 LEU H 1 21 LEU HG . . 2.400 2.400 2.345 2.485 0.085 15 0 "[ . 1 . 2]" 1
255 1 21 LEU H 1 22 LEU H . . 2.860 2.756 2.687 2.899 0.039 10 0 "[ . 1 . 2]" 1
256 1 21 LEU H 1 23 GLU H . . 5.500 4.528 4.457 4.631 . 0 0 "[ . 1 . 2]" 1
257 1 21 LEU HA 1 22 LEU H . . 5.500 3.632 3.615 3.656 . 0 0 "[ . 1 . 2]" 1
258 1 21 LEU HA 1 24 THR MG . . 5.400 6.130 5.957 6.454 1.054 9 20 [********+*****-*****] 1
259 1 21 LEU HB2 1 22 LEU H . . 3.240 2.640 2.535 2.752 . 0 0 "[ . 1 . 2]" 1
260 1 21 LEU HB3 1 22 LEU H . . 4.540 3.703 3.627 3.782 . 0 0 "[ . 1 . 2]" 1
261 1 21 LEU QD 1 22 LEU H . . 4.560 4.191 4.124 4.247 . 0 0 "[ . 1 . 2]" 1
262 1 21 LEU QD 1 26 LYS H . . 6.290 7.749 7.701 7.831 1.541 20 20 [***********-*******+] 1
263 1 21 LEU HG 1 22 LEU H . . 5.500 4.425 4.349 4.520 . 0 0 "[ . 1 . 2]" 1
264 1 22 LEU H 1 22 LEU QB . . 2.650 2.539 2.496 2.580 . 0 0 "[ . 1 . 2]" 1
265 1 22 LEU H 1 22 LEU HG . . 4.110 2.506 2.477 2.564 . 0 0 "[ . 1 . 2]" 1
266 1 22 LEU H 1 23 GLU H . . 2.400 3.197 3.125 3.267 0.867 13 20 [-***********+*******] 1
267 1 22 LEU H 1 23 GLU QB . . 5.500 4.683 4.636 4.756 . 0 0 "[ . 1 . 2]" 1
268 1 22 LEU H 1 24 THR H . . 5.310 5.507 5.381 5.596 0.286 13 0 "[ . 1 . 2]" 1
269 1 22 LEU HA 1 22 LEU HG . . 3.390 3.368 3.285 3.398 0.008 1 0 "[ . 1 . 2]" 1
270 1 22 LEU HA 1 25 LEU H . . 3.760 3.616 3.512 3.723 . 0 0 "[ . 1 . 2]" 1
271 1 22 LEU HA 1 25 LEU QB . . 5.500 5.433 5.323 5.605 0.105 11 0 "[ . 1 . 2]" 1
272 1 22 LEU HA 1 25 LEU QD . . 4.880 3.930 3.727 4.184 . 0 0 "[ . 1 . 2]" 1
273 1 22 LEU HA 1 25 LEU HG . . 3.360 3.594 3.410 3.911 0.551 11 1 "[ . 1+ . 2]" 1
274 1 22 LEU HA 1 26 LYS H . . 4.140 4.035 3.963 4.173 0.033 11 0 "[ . 1 . 2]" 1
275 1 22 LEU QB 1 22 LEU HG . . 2.400 2.381 2.373 2.419 0.019 11 0 "[ . 1 . 2]" 1
276 1 22 LEU QB 1 23 GLU H . . 3.520 4.029 4.003 4.041 0.521 18 16 "[ * *-****** *****+*2]" 1
277 1 22 LEU QB 1 25 LEU QD . . 3.420 2.571 2.461 2.850 . 0 0 "[ . 1 . 2]" 1
278 1 22 LEU QB 1 26 LYS H . . 2.400 2.519 2.430 2.618 0.218 11 0 "[ . 1 . 2]" 1
279 1 22 LEU QD 1 23 GLU H . . 6.020 4.334 4.310 4.374 . 0 0 "[ . 1 . 2]" 1
280 1 22 LEU HG 1 23 GLU H . . 5.500 5.149 5.072 5.185 . 0 0 "[ . 1 . 2]" 1
281 1 23 GLU H 1 23 GLU HA . . 2.860 2.862 2.840 2.880 0.020 15 0 "[ . 1 . 2]" 1
282 1 23 GLU H 1 23 GLU QB . . 2.650 2.314 2.300 2.327 . 0 0 "[ . 1 . 2]" 1
283 1 23 GLU H 1 23 GLU QG . . 3.450 4.051 4.037 4.066 0.616 10 20 [*********+*-********] 1
284 1 23 GLU H 1 24 THR H . . 2.590 2.672 2.616 2.732 0.142 12 0 "[ . 1 . 2]" 1
285 1 23 GLU H 1 24 THR MG . . 6.520 3.897 3.798 4.262 . 0 0 "[ . 1 . 2]" 1
286 1 23 GLU H 1 25 LEU H . . 5.310 4.278 4.212 4.330 . 0 0 "[ . 1 . 2]" 1
287 1 23 GLU HA 1 23 GLU QB . . 2.400 2.415 2.400 2.446 0.046 12 0 "[ . 1 . 2]" 1
288 1 23 GLU HA 1 23 GLU QG . . 2.400 2.442 2.407 2.465 0.065 20 0 "[ . 1 . 2]" 1
289 1 23 GLU HA 1 26 LYS H . . 4.910 4.153 4.016 4.234 . 0 0 "[ . 1 . 2]" 1
290 1 23 GLU HA 1 26 LYS QB . . 3.620 3.784 3.539 4.091 0.471 11 0 "[ . 1 . 2]" 1
291 1 23 GLU HA 1 27 CYS H . . 2.680 2.530 2.489 2.596 . 0 0 "[ . 1 . 2]" 1
292 1 23 GLU QB 1 23 GLU QG . . 2.400 2.150 2.144 2.154 . 0 0 "[ . 1 . 2]" 1
293 1 23 GLU QB 1 24 THR H . . 2.400 2.527 2.469 2.743 0.343 6 0 "[ . 1 . 2]" 1
294 1 23 GLU QB 1 26 LYS QB . . 6.380 5.392 5.185 5.670 . 0 0 "[ . 1 . 2]" 1
295 1 23 GLU QB 1 26 LYS QG . . 5.830 6.547 6.235 6.775 0.945 11 18 "[*******-**+ * ******]" 1
296 1 23 GLU QG 1 24 THR H . . 4.940 3.755 3.660 3.991 . 0 0 "[ . 1 . 2]" 1
297 1 23 GLU QG 1 26 LYS QB . . 4.800 5.452 5.210 5.694 0.894 11 17 "[**********+-**. ** *]" 1
298 1 24 THR H 1 24 THR HA . . 2.900 2.728 2.704 2.826 . 0 0 "[ . 1 . 2]" 1
299 1 24 THR H 1 24 THR MG . . 3.420 2.380 2.321 2.397 . 0 0 "[ . 1 . 2]" 1
300 1 24 THR H 1 25 LEU H . . 3.890 3.110 2.916 3.164 . 0 0 "[ . 1 . 2]" 1
301 1 24 THR H 1 26 LYS H . . 4.760 4.951 4.774 5.028 0.268 11 0 "[ . 1 . 2]" 1
302 1 24 THR HA 1 24 THR MG . . 3.420 3.202 2.369 3.301 . 0 0 "[ . 1 . 2]" 1
303 1 24 THR HA 1 25 LEU H . . 3.240 3.606 3.582 3.623 0.383 11 0 "[ . 1 . 2]" 1
304 1 24 THR HA 1 25 LEU QB . . 4.660 4.876 4.768 4.926 0.266 19 0 "[ . 1 . 2]" 1
305 1 24 THR HA 1 25 LEU QD . . 4.660 5.407 5.203 5.446 0.786 19 20 [*****-************+*] 1
306 1 24 THR HA 1 26 LYS H . . 5.500 5.741 5.663 5.792 0.292 11 0 "[ . 1 . 2]" 1
307 1 24 THR HA 1 28 LYS H . . 5.310 5.093 4.970 5.277 . 0 0 "[ . 1 . 2]" 1
308 1 24 THR MG 1 25 LEU H . . 3.420 2.637 2.362 4.323 0.903 6 2 "[ .+ -1 . 2]" 1
309 1 24 THR MG 1 25 LEU HA . . 4.260 4.052 3.837 5.644 1.384 6 2 "[ .+ -1 . 2]" 1
310 1 24 THR MG 1 27 CYS QB . . 4.810 5.893 5.787 6.053 1.243 3 20 [**+*********-*******] 1
311 1 24 THR MG 1 28 LYS QB . . 3.570 5.707 5.453 6.342 2.772 9 20 [********+*********-*] 1
312 1 25 LEU H 1 25 LEU HA . . 2.900 2.993 2.985 2.999 0.099 19 0 "[ . 1 . 2]" 1
313 1 25 LEU H 1 25 LEU QB . . 2.400 3.052 3.027 3.093 0.693 6 20 [*****+************-*] 1
314 1 25 LEU H 1 25 LEU HG . . 2.400 2.377 2.343 2.441 0.041 11 0 "[ . 1 . 2]" 1
315 1 25 LEU H 1 26 LYS H . . 2.740 2.308 2.289 2.341 . 0 0 "[ . 1 . 2]" 1
316 1 25 LEU HA 1 25 LEU QD . . 3.420 3.470 3.448 3.483 0.063 6 0 "[ . 1 . 2]" 1
317 1 25 LEU HA 1 25 LEU HG . . 3.610 3.765 3.752 3.775 0.165 10 0 "[ . 1 . 2]" 1
318 1 25 LEU HA 1 26 LYS H . . 3.330 3.720 3.704 3.739 0.409 11 0 "[ . 1 . 2]" 1
319 1 25 LEU HA 1 28 LYS H . . 3.450 3.479 3.376 3.586 0.136 5 0 "[ . 1 . 2]" 1
320 1 25 LEU HA 1 28 LYS QB . . 2.400 2.619 2.463 2.745 0.345 5 0 "[ . 1 . 2]" 1
321 1 25 LEU HA 1 29 ILE H . . 4.880 3.867 3.719 3.969 . 0 0 "[ . 1 . 2]" 1
322 1 25 LEU QB 1 25 LEU HG . . 2.400 2.520 2.511 2.534 0.134 6 0 "[ . 1 . 2]" 1
323 1 25 LEU QB 1 26 LYS H . . 2.400 3.663 3.640 3.694 1.294 1 20 [+****-**************] 1
324 1 25 LEU QB 1 26 LYS HA . . 3.270 4.476 4.440 4.518 1.248 1 20 [+***********-*******] 1
325 1 25 LEU QB 1 26 LYS QB . . 4.640 5.092 4.942 5.446 0.806 1 5 "[+ * * 1- . *]" 1
326 1 25 LEU QD 1 26 LYS H . . 4.100 2.462 2.430 2.574 . 0 0 "[ . 1 . 2]" 1
327 1 25 LEU QD 1 26 LYS HA . . 3.420 2.702 2.628 2.846 . 0 0 "[ . 1 . 2]" 1
328 1 25 LEU QD 1 26 LYS QB . . 4.360 3.085 2.824 3.685 . 0 0 "[ . 1 . 2]" 1
329 1 25 LEU QD 1 27 CYS H . . 6.520 4.670 4.620 4.766 . 0 0 "[ . 1 . 2]" 1
330 1 25 LEU QD 1 28 LYS HA . . 5.990 7.012 6.948 7.092 1.102 6 20 [*****+*******-******] 1
331 1 25 LEU QD 1 28 LYS QB . . 3.450 4.930 4.848 5.001 1.551 17 20 [****************+*-*] 1
332 1 25 LEU QD 1 28 LYS QD . . 3.420 5.327 5.180 5.492 2.072 2 20 [*+*****************-] 1
333 1 25 LEU HG 1 26 LYS H . . 2.400 2.512 2.445 2.581 0.181 1 0 "[ . 1 . 2]" 1
334 1 26 LYS H 1 26 LYS HA . . 2.860 2.833 2.804 2.869 0.009 5 0 "[ . 1 . 2]" 1
335 1 26 LYS H 1 26 LYS QB . . 3.280 2.345 2.280 2.500 . 0 0 "[ . 1 . 2]" 1
336 1 26 LYS H 1 26 LYS QD . . 3.280 4.283 3.806 4.932 1.652 12 20 [****-******+********] 1
337 1 26 LYS H 1 26 LYS QG . . 3.380 3.731 2.475 4.143 0.763 13 15 "[ * *.***** -+******2]" 1
338 1 26 LYS H 1 27 CYS H . . 2.990 2.869 2.786 2.988 . 0 0 "[ . 1 . 2]" 1
339 1 26 LYS HA 1 26 LYS QD . . 4.310 2.515 2.235 3.605 . 0 0 "[ . 1 . 2]" 1
340 1 26 LYS HA 1 26 LYS QG . . 3.280 2.901 2.776 3.113 . 0 0 "[ . 1 . 2]" 1
341 1 26 LYS HA 1 27 CYS H . . 3.420 3.690 3.678 3.702 0.282 1 0 "[ . 1 . 2]" 1
342 1 26 LYS HA 1 28 LYS H . . 4.970 4.423 4.240 4.601 . 0 0 "[ . 1 . 2]" 1
343 1 26 LYS HA 1 29 ILE HB . . 3.210 2.736 2.556 2.862 . 0 0 "[ . 1 . 2]" 1
344 1 26 LYS HA 1 29 ILE MD . . 3.420 2.864 2.734 3.020 . 0 0 "[ . 1 . 2]" 1
345 1 26 LYS HA 1 29 ILE QG . . 3.760 4.020 3.808 4.140 0.380 6 0 "[ . 1 . 2]" 1
346 1 26 LYS HA 1 29 ILE MG . . 3.420 4.190 4.069 4.306 0.886 16 20 [****-**********+****] 1
347 1 26 LYS HA 1 30 THR H . . 4.110 3.623 3.275 3.866 . 0 0 "[ . 1 . 2]" 1
348 1 26 LYS HA 1 30 THR MG . . 3.420 4.235 3.839 4.407 0.987 17 19 "[ *-*************+***]" 1
349 1 26 LYS QB 1 27 CYS H . . 3.280 2.422 2.363 2.545 . 0 0 "[ . 1 . 2]" 1
350 1 26 LYS QB 1 28 LYS H . . 3.280 4.700 4.548 4.777 1.497 6 20 [**-**+**************] 1
351 1 26 LYS QB 1 30 THR MG . . 7.400 3.898 2.817 4.376 . 0 0 "[ . 1 . 2]" 1
352 1 26 LYS QG 1 27 CYS H . . 6.380 3.709 3.292 4.260 . 0 0 "[ . 1 . 2]" 1
353 1 26 LYS QG 1 27 CYS QB . . 4.120 4.904 4.187 6.040 1.920 3 11 "[* + * 1*-**** **]" 1
354 1 27 CYS H 1 27 CYS HA . . 2.930 2.798 2.767 2.835 . 0 0 "[ . 1 . 2]" 1
355 1 27 CYS H 1 27 CYS QB . . 2.400 2.395 2.342 2.540 0.140 3 0 "[ . 1 . 2]" 1
356 1 27 CYS H 1 28 LYS H . . 3.890 2.878 2.838 2.959 . 0 0 "[ . 1 . 2]" 1
357 1 27 CYS H 1 28 LYS HA . . 5.000 5.450 5.416 5.520 0.520 1 2 "[+ - . 1 . 2]" 1
358 1 27 CYS H 1 29 ILE H . . 4.480 4.326 4.234 4.435 . 0 0 "[ . 1 . 2]" 1
359 1 27 CYS HA 1 28 LYS H . . 4.880 3.640 3.611 3.663 . 0 0 "[ . 1 . 2]" 1
360 1 27 CYS HA 1 29 ILE H . . 5.310 4.450 4.198 4.608 . 0 0 "[ . 1 . 2]" 1
361 1 27 CYS HA 1 30 THR H . . 3.950 3.867 3.520 4.039 0.089 3 0 "[ . 1 . 2]" 1
362 1 27 CYS HA 1 30 THR HB . . 4.040 4.967 4.868 5.162 1.122 12 20 [*-*********+********] 1
363 1 27 CYS HA 1 31 GLY H . . 2.740 3.352 2.868 4.077 1.337 13 15 "[ *-*********+ . ** *]" 1
364 1 27 CYS HA 1 32 CYS H . . 2.400 2.477 2.302 2.655 0.255 3 0 "[ . 1 . 2]" 1
365 1 27 CYS QB 1 28 LYS H . . 2.400 2.813 2.667 2.958 0.558 12 1 "[ . 1 + . 2]" 1
366 1 27 CYS QB 1 28 LYS HA . . 5.500 4.096 3.898 4.224 . 0 0 "[ . 1 . 2]" 1
367 1 27 CYS QB 1 32 CYS H . . 2.990 3.493 2.746 3.815 0.825 2 14 "[ + *********- . ** *]" 1
368 1 28 LYS H 1 28 LYS QB . . 2.400 2.402 2.375 2.430 0.030 7 0 "[ . 1 . 2]" 1
369 1 28 LYS H 1 28 LYS QD . . 3.080 2.232 2.198 2.300 . 0 0 "[ . 1 . 2]" 1
370 1 28 LYS H 1 28 LYS QG . . 3.410 3.574 3.556 3.610 0.200 6 0 "[ . 1 . 2]" 1
371 1 28 LYS H 1 29 ILE H . . 3.240 2.665 2.593 2.745 . 0 0 "[ . 1 . 2]" 1
372 1 28 LYS H 1 30 THR H . . 4.290 4.725 4.553 4.844 0.554 8 4 "[ .* +-1 . *2]" 1
373 1 28 LYS HA 1 28 LYS QB . . 2.400 2.474 2.451 2.501 0.101 6 0 "[ . 1 . 2]" 1
374 1 28 LYS HA 1 29 ILE H . . 4.510 3.654 3.644 3.662 . 0 0 "[ . 1 . 2]" 1
375 1 28 LYS HA 1 30 THR H . . 5.220 5.309 4.990 5.493 0.273 1 0 "[ . 1 . 2]" 1
376 1 28 LYS HA 1 31 GLY H . . 5.500 3.809 3.566 4.177 . 0 0 "[ . 1 . 2]" 1
377 1 28 LYS HA 1 32 CYS H . . 5.250 4.717 4.437 5.631 0.381 12 0 "[ . 1 . 2]" 1
378 1 28 LYS QB 1 29 ILE H . . 3.110 2.693 2.608 2.813 . 0 0 "[ . 1 . 2]" 1
379 1 28 LYS QG 1 29 ILE H . . 3.720 4.642 4.582 4.725 1.005 12 20 [****-******+********] 1
380 1 29 ILE H 1 29 ILE HA . . 3.140 2.876 2.854 2.901 . 0 0 "[ . 1 . 2]" 1
381 1 29 ILE H 1 29 ILE HB . . 2.400 2.452 2.439 2.469 0.069 11 0 "[ . 1 . 2]" 1
382 1 29 ILE H 1 29 ILE MD . . 3.420 3.480 3.440 3.508 0.088 12 0 "[ . 1 . 2]" 1
383 1 29 ILE H 1 29 ILE QG . . 2.400 2.407 2.384 2.446 0.046 19 0 "[ . 1 . 2]" 1
384 1 29 ILE H 1 29 ILE MG . . 3.420 3.824 3.817 3.831 0.411 5 0 "[ . 1 . 2]" 1
385 1 29 ILE H 1 30 THR H . . 3.550 2.981 2.858 3.037 . 0 0 "[ . 1 . 2]" 1
386 1 29 ILE H 1 30 THR MG . . 6.520 4.391 4.303 4.515 . 0 0 "[ . 1 . 2]" 1
387 1 29 ILE HA 1 29 ILE MD . . 3.450 3.904 3.896 3.912 0.462 5 0 "[ . 1 . 2]" 1
388 1 29 ILE HA 1 29 ILE QG . . 2.400 2.386 2.371 2.400 . 0 0 "[ . 1 . 2]" 1
389 1 29 ILE HA 1 29 ILE MG . . 3.420 2.522 2.505 2.542 . 0 0 "[ . 1 . 2]" 1
390 1 29 ILE HA 1 30 THR H . . 3.760 3.698 3.678 3.706 . 0 0 "[ . 1 . 2]" 1
391 1 29 ILE HA 1 30 THR MG . . 5.810 5.447 5.407 5.552 . 0 0 "[ . 1 . 2]" 1
392 1 29 ILE HB 1 29 ILE MD . . 3.420 2.371 2.361 2.380 . 0 0 "[ . 1 . 2]" 1
393 1 29 ILE HB 1 29 ILE QG . . 2.400 2.492 2.486 2.502 0.102 7 0 "[ . 1 . 2]" 1
394 1 29 ILE HB 1 30 THR H . . 2.400 2.445 2.387 2.538 0.138 13 0 "[ . 1 . 2]" 1
395 1 29 ILE HB 1 30 THR MG . . 5.120 4.339 4.193 4.413 . 0 0 "[ . 1 . 2]" 1
396 1 29 ILE HB 1 31 GLY H . . 5.500 4.805 4.746 4.936 . 0 0 "[ . 1 . 2]" 1
397 1 29 ILE MD 1 30 THR H . . 3.730 4.419 4.357 4.499 0.769 13 20 [-***********+*******] 1
398 1 29 ILE QG 1 30 THR H . . 5.470 4.253 4.232 4.277 . 0 0 "[ . 1 . 2]" 1
399 1 29 ILE MG 1 30 THR H . . 3.570 2.899 2.843 3.082 . 0 0 "[ . 1 . 2]" 1
400 1 29 ILE MG 1 30 THR HA . . 3.420 3.079 2.996 3.198 . 0 0 "[ . 1 . 2]" 1
401 1 29 ILE MG 1 30 THR HB . . 4.190 3.607 3.053 3.749 . 0 0 "[ . 1 . 2]" 1
402 1 29 ILE MG 1 30 THR MG . . 4.780 4.393 4.157 4.464 . 0 0 "[ . 1 . 2]" 1
403 1 30 THR H 1 30 THR HB . . 2.550 2.560 2.489 2.629 0.079 13 0 "[ . 1 . 2]" 1
404 1 30 THR H 1 30 THR MG . . 3.420 2.370 2.309 2.399 . 0 0 "[ . 1 . 2]" 1
405 1 30 THR H 1 31 GLY H . . 2.400 2.788 2.720 2.887 0.487 13 0 "[ . 1 . 2]" 1
406 1 30 THR H 1 31 GLY HA2 . . 4.820 5.136 5.068 5.211 0.391 1 0 "[ . 1 . 2]" 1
407 1 30 THR H 1 32 CYS H . . 5.500 4.630 3.840 5.189 . 0 0 "[ . 1 . 2]" 1
408 1 30 THR HA 1 30 THR HB . . 2.400 2.509 2.484 2.550 0.150 2 0 "[ . 1 . 2]" 1
409 1 30 THR HA 1 30 THR MG . . 3.420 3.293 3.270 3.308 . 0 0 "[ . 1 . 2]" 1
410 1 30 THR HA 1 31 GLY H . . 3.610 3.577 3.384 3.633 0.023 3 0 "[ . 1 . 2]" 1
411 1 30 THR HA 1 32 CYS H . . 5.160 5.533 4.604 6.006 0.846 1 6 "[+ - . 1 *** *2]" 1
412 1 30 THR HB 1 31 GLY H . . 4.140 4.275 4.178 4.625 0.485 13 0 "[ . 1 . 2]" 1
413 1 30 THR MG 1 31 GLY H . . 3.790 2.679 2.490 3.388 . 0 0 "[ . 1 . 2]" 1
414 1 31 GLY H 1 31 GLY HA2 . . 2.400 2.362 2.332 2.386 . 0 0 "[ . 1 . 2]" 1
415 1 31 GLY H 1 31 GLY HA3 . . 2.830 2.941 2.846 2.973 0.143 19 0 "[ . 1 . 2]" 1
416 1 31 GLY H 1 32 CYS H . . 2.400 2.635 2.543 2.850 0.450 1 0 "[ . 1 . 2]" 1
417 1 31 GLY HA2 1 32 CYS H . . 2.400 2.696 2.492 3.387 0.987 12 1 "[ . 1 + . 2]" 1
418 1 31 GLY HA3 1 32 CYS H . . 3.360 3.663 3.489 3.685 0.325 2 0 "[ . 1 . 2]" 1
419 1 32 CYS H 1 32 CYS HA . . 2.680 2.824 2.312 2.944 0.264 1 0 "[ . 1 . 2]" 1
420 1 32 CYS H 1 32 CYS QB . . 2.400 2.598 2.495 3.207 0.807 13 2 "[ . 1 -+ . 2]" 1
421 1 32 CYS HA 1 32 CYS QB . . 2.400 2.230 2.187 2.608 0.208 12 0 "[ . 1 . 2]" 1
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