NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
521839 |
2l70   |
17330 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l70
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 385
_Distance_constraint_stats_list.Viol_count 1819
_Distance_constraint_stats_list.Viol_total 9655.093
_Distance_constraint_stats_list.Viol_max 2.728
_Distance_constraint_stats_list.Viol_rms 0.2757
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1115
_Distance_constraint_stats_list.Viol_average_violations_only 0.3539
_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 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 2 ALA 1.247 0.474 7 0 "[ . 1 .]"
1 3 GLU 21.888 2.728 10 13 "[*** *****+** -*]"
1 4 GLY 6.368 0.764 4 2 "[ +- 1 .]"
1 5 THR 8.244 0.433 13 0 "[ . 1 .]"
1 6 PHE 43.178 2.728 10 15 [*********+**-**]
1 7 ILE 15.624 0.395 10 0 "[ . 1 .]"
1 8 SER 34.065 1.653 6 15 [*****+**-******]
1 9 ASP 24.259 0.764 4 7 "[ +** *- * *.]"
1 10 TYR 49.832 1.660 4 15 [***+*****-*****]
1 11 SER 27.223 0.815 6 6 "[ ***.+ 1 -*]"
1 12 ILE 44.942 1.088 11 15 [**********+***-]
1 13 ALA 40.906 1.653 6 15 [****-+*********]
1 14 MET 21.773 0.874 6 5 "[ -**.+ 1 *]"
1 15 ASP 33.260 2.546 12 15 [***-*******+***]
1 16 LYS 14.841 1.423 3 6 "[ + ** **1 *]"
1 17 ILE 36.317 2.336 14 15 [****-********+*]
1 18 HIS 46.862 2.546 12 15 [***-*******+***]
1 19 GLN 31.305 1.423 3 15 [**+************]
1 20 GLN 40.191 2.336 14 15 [*************+-]
1 21 ASP 9.971 0.530 15 1 "[ . 1 +]"
1 22 PHE 29.773 1.385 8 15 [*******+***-***]
1 23 VAL 42.732 2.103 4 15 [***+**-********]
1 24 ASN 33.139 0.697 6 9 "[ - *+* *1* ***]"
1 25 TRP 114.461 2.103 4 15 [*-*+***********]
1 26 LEU 78.718 1.859 11 15 [**********+**-*]
1 27 LEU 14.231 0.877 7 2 "[ * . + 1 .]"
1 28 ALA 38.031 1.261 1 15 [+*****-********]
1 29 GLN 29.447 2.038 14 12 "[ ***.***** **+*]"
1 30 LYS 12.847 0.930 15 3 "[ . * 1 -+]"
1 31 GLY 9.979 1.205 9 2 "[- . +1 .]"
1 32 LYS 33.959 2.038 14 12 "[ **** ****- *+*]"
1 33 LYS 28.345 0.840 13 11 "[ **.*****- +**]"
1 34 ASN 30.084 1.154 5 15 [****+-*********]
1 35 ASP 25.614 1.522 15 15 [******-*******+]
1 36 TRP 39.445 1.154 5 14 [****+-***1*****]
1 37 LYS 25.054 1.138 6 11 "[***-.+ ***** *]"
1 38 HIS 16.837 1.225 13 10 "[-** .* ****+ *]"
1 39 ASN 4.015 0.626 11 3 "[- . 1+ * .]"
1 40 ILE 12.113 0.741 4 15 [**-+***********]
1 41 THR 6.074 0.656 13 3 "[ *- 1 + .]"
1 42 GLN 10.112 1.225 13 6 "[ ** *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 1 TYR H1 1 1 TYR HA . . 3.140 2.711 2.444 2.983 . 0 0 "[ . 1 .]" 1
2 1 1 TYR H1 1 2 ALA MB . . 6.530 4.806 4.336 5.448 . 0 0 "[ . 1 .]" 1
3 1 2 ALA H 1 2 ALA HA . . 2.430 2.421 2.280 2.904 0.474 7 0 "[ . 1 .]" 1
4 1 2 ALA H 1 2 ALA MB . . 3.640 2.732 2.287 2.993 . 0 0 "[ . 1 .]" 1
5 1 3 GLU H 1 3 GLU HB2 . . 2.830 2.697 2.554 2.854 0.024 8 0 "[ . 1 .]" 1
6 1 3 GLU H 1 3 GLU HB3 . . 2.550 2.548 2.458 2.675 0.125 15 0 "[ . 1 .]" 1
7 1 3 GLU HA 1 6 PHE QD . . 7.620 8.916 6.322 10.348 2.728 10 13 "[*** *****+** -*]" 1
8 1 4 GLY H 1 4 GLY QA . . 2.650 2.364 2.185 2.531 . 0 0 "[ . 1 .]" 1
9 1 4 GLY H 1 5 THR H . . 4.350 3.825 2.645 4.704 0.354 2 0 "[ . 1 .]" 1
10 1 4 GLY QA 1 5 THR H . . 2.400 2.440 2.283 2.833 0.433 13 0 "[ . 1 .]" 1
11 1 4 GLY QA 1 6 PHE H . . 4.540 4.201 3.507 4.822 0.282 9 0 "[ . 1 .]" 1
12 1 4 GLY QA 1 9 ASP H . . 5.500 5.652 5.010 6.264 0.764 4 2 "[ +- 1 .]" 1
13 1 5 THR H 1 5 THR HA . . 2.740 2.907 2.728 3.018 0.278 2 0 "[ . 1 .]" 1
14 1 5 THR H 1 5 THR HB . . 2.960 2.740 2.553 2.945 . 0 0 "[ . 1 .]" 1
15 1 5 THR H 1 5 THR MG . . 3.920 3.903 3.817 4.031 0.111 6 0 "[ . 1 .]" 1
16 1 5 THR H 1 6 PHE H . . 2.900 2.671 2.402 3.086 0.186 15 0 "[ . 1 .]" 1
17 1 5 THR H 1 8 SER QB . . 5.500 4.455 3.371 5.298 . 0 0 "[ . 1 .]" 1
18 1 5 THR HA 1 6 PHE H . . 3.480 3.701 3.668 3.734 0.254 8 0 "[ . 1 .]" 1
19 1 5 THR HA 1 6 PHE QD . . 7.620 6.693 6.652 6.728 . 0 0 "[ . 1 .]" 1
20 1 5 THR HA 1 9 ASP H . . 4.540 3.789 3.450 4.211 . 0 0 "[ . 1 .]" 1
21 1 5 THR HB 1 6 PHE H . . 2.960 2.483 2.334 2.681 . 0 0 "[ . 1 .]" 1
22 1 5 THR HB 1 7 ILE H . . 5.280 4.851 4.432 5.216 . 0 0 "[ . 1 .]" 1
23 1 5 THR MG 1 6 PHE H . . 4.980 3.299 2.905 3.686 . 0 0 "[ . 1 .]" 1
24 1 5 THR MG 1 8 SER H . . 6.030 5.002 4.535 5.336 . 0 0 "[ . 1 .]" 1
25 1 6 PHE H 1 6 PHE HA . . 2.900 2.868 2.783 2.903 0.003 6 0 "[ . 1 .]" 1
26 1 6 PHE H 1 6 PHE QB . . 2.650 2.331 2.280 2.374 . 0 0 "[ . 1 .]" 1
27 1 6 PHE H 1 7 ILE H . . 2.710 2.708 2.547 2.982 0.272 4 0 "[ . 1 .]" 1
28 1 6 PHE H 1 8 SER H . . 4.420 4.250 4.053 4.451 0.031 15 0 "[ . 1 .]" 1
29 1 6 PHE HA 1 7 ILE H . . 3.480 3.667 3.650 3.687 0.207 15 0 "[ . 1 .]" 1
30 1 6 PHE HA 1 8 SER H . . 5.500 4.689 4.528 4.855 . 0 0 "[ . 1 .]" 1
31 1 6 PHE HA 1 9 ASP H . . 4.450 3.497 3.097 3.777 . 0 0 "[ . 1 .]" 1
32 1 6 PHE QB 1 7 ILE H . . 3.270 2.616 2.510 2.986 . 0 0 "[ . 1 .]" 1
33 1 6 PHE QB 1 10 TYR QD . . 7.640 6.847 6.397 7.469 . 0 0 "[ . 1 .]" 1
34 1 6 PHE QB 1 10 TYR QE . . 7.630 8.523 7.969 9.290 1.660 4 13 "[***+*** ** *-**]" 1
35 1 6 PHE QD 1 7 ILE HA . . 7.620 2.918 2.676 4.142 . 0 0 "[ . 1 .]" 1
36 1 6 PHE QD 1 7 ILE MG . . 8.650 4.582 4.271 5.537 . 0 0 "[ . 1 .]" 1
37 1 6 PHE QD 1 10 TYR QE . . 9.130 6.991 6.403 7.913 . 0 0 "[ . 1 .]" 1
38 1 7 ILE H 1 7 ILE HA . . 2.800 2.865 2.842 2.895 0.095 4 0 "[ . 1 .]" 1
39 1 7 ILE H 1 7 ILE HB . . 2.550 2.565 2.486 2.671 0.121 4 0 "[ . 1 .]" 1
40 1 7 ILE H 1 7 ILE MD . . 4.670 3.712 3.622 3.868 . 0 0 "[ . 1 .]" 1
41 1 7 ILE H 1 7 ILE QG . . 2.990 2.311 2.269 2.355 . 0 0 "[ . 1 .]" 1
42 1 7 ILE H 1 8 SER H . . 2.590 2.757 2.639 2.908 0.318 15 0 "[ . 1 .]" 1
43 1 7 ILE H 1 9 ASP H . . 4.820 4.313 4.164 4.454 . 0 0 "[ . 1 .]" 1
44 1 7 ILE HA 1 8 SER H . . 3.420 3.678 3.644 3.696 0.276 15 0 "[ . 1 .]" 1
45 1 7 ILE HA 1 10 TYR H . . 4.070 3.544 3.134 3.733 . 0 0 "[ . 1 .]" 1
46 1 7 ILE HB 1 8 SER H . . 3.480 2.641 2.498 2.862 . 0 0 "[ . 1 .]" 1
47 1 7 ILE QG 1 8 SER H . . 5.130 4.184 4.118 4.286 . 0 0 "[ . 1 .]" 1
48 1 7 ILE MG 1 8 SER H . . 6.250 3.387 3.200 3.733 . 0 0 "[ . 1 .]" 1
49 1 7 ILE MG 1 9 ASP H . . 4.880 5.167 4.977 5.275 0.395 10 0 "[ . 1 .]" 1
50 1 8 SER H 1 8 SER HA . . 2.550 2.803 2.744 2.833 0.283 7 0 "[ . 1 .]" 1
51 1 8 SER H 1 8 SER QB . . 2.860 2.511 2.301 2.665 . 0 0 "[ . 1 .]" 1
52 1 8 SER H 1 9 ASP H . . 2.590 2.947 2.869 3.073 0.483 5 0 "[ . 1 .]" 1
53 1 8 SER HA 1 9 ASP H . . 3.730 3.683 3.671 3.701 . 0 0 "[ . 1 .]" 1
54 1 8 SER QB 1 9 ASP H . . 3.020 2.513 2.407 2.661 . 0 0 "[ . 1 .]" 1
55 1 8 SER QB 1 9 ASP HB2 . . 4.480 4.342 4.177 4.491 0.011 6 0 "[ . 1 .]" 1
56 1 8 SER QB 1 13 ALA H . . 5.500 6.733 6.419 7.153 1.653 6 15 [*****+**-******] 1
57 1 9 ASP H 1 9 ASP HA . . 2.930 2.803 2.771 2.830 . 0 0 "[ . 1 .]" 1
58 1 9 ASP H 1 9 ASP HB2 . . 3.210 2.614 2.566 2.663 . 0 0 "[ . 1 .]" 1
59 1 9 ASP H 1 9 ASP HB3 . . 2.400 2.586 2.506 2.701 0.301 4 0 "[ . 1 .]" 1
60 1 9 ASP H 1 10 TYR H . . 2.460 2.953 2.860 3.031 0.571 4 6 "[ +.* *- * *.]" 1
61 1 9 ASP HA 1 10 TYR H . . 3.730 3.672 3.647 3.705 . 0 0 "[ . 1 .]" 1
62 1 9 ASP HA 1 12 ILE H . . 3.610 3.572 3.339 3.885 0.275 5 0 "[ . 1 .]" 1
63 1 9 ASP HA 1 12 ILE HB . . 3.240 3.042 2.603 3.274 0.034 1 0 "[ . 1 .]" 1
64 1 9 ASP HB2 1 10 TYR H . . 3.920 3.925 3.840 4.022 0.102 4 0 "[ . 1 .]" 1
65 1 9 ASP HB3 1 10 TYR H . . 3.390 2.521 2.432 2.683 . 0 0 "[ . 1 .]" 1
66 1 10 TYR H 1 10 TYR QB . . 2.590 2.298 2.249 2.369 . 0 0 "[ . 1 .]" 1
67 1 10 TYR H 1 11 SER H . . 2.400 2.805 2.734 2.857 0.457 6 0 "[ . 1 .]" 1
68 1 10 TYR H 1 12 ILE HB . . 4.720 5.470 5.138 5.594 0.874 1 13 "[+***.** ******-]" 1
69 1 10 TYR HA 1 11 SER H . . 3.550 3.658 3.645 3.675 0.125 5 0 "[ . 1 .]" 1
70 1 10 TYR HA 1 12 ILE H . . 5.500 4.343 4.117 4.499 . 0 0 "[ . 1 .]" 1
71 1 10 TYR HA 1 13 ALA H . . 3.390 3.260 2.993 3.543 0.153 11 0 "[ . 1 .]" 1
72 1 10 TYR HA 1 13 ALA MB . . 3.430 2.574 2.366 2.823 . 0 0 "[ . 1 .]" 1
73 1 10 TYR QB 1 11 SER H . . 3.050 2.638 2.398 2.827 . 0 0 "[ . 1 .]" 1
74 1 10 TYR QD 1 11 SER H . . 6.460 3.514 3.055 3.930 . 0 0 "[ . 1 .]" 1
75 1 10 TYR QD 1 11 SER HA . . 7.640 3.384 2.939 3.890 . 0 0 "[ . 1 .]" 1
76 1 10 TYR QD 1 12 ILE HA . . 7.640 7.236 7.076 7.465 . 0 0 "[ . 1 .]" 1
77 1 10 TYR QD 1 13 ALA MB . . 8.360 3.321 2.700 4.081 . 0 0 "[ . 1 .]" 1
78 1 10 TYR QE 1 12 ILE HA . . 7.630 8.266 7.767 8.718 1.088 11 10 "[*- * ****+ **.]" 1
79 1 11 SER H 1 11 SER HA . . 2.650 2.810 2.742 2.870 0.220 13 0 "[ . 1 .]" 1
80 1 11 SER H 1 11 SER HB2 . . 3.080 2.551 2.475 2.596 . 0 0 "[ . 1 .]" 1
81 1 11 SER H 1 11 SER HB3 . . 2.620 2.650 2.552 2.730 0.110 3 0 "[ . 1 .]" 1
82 1 11 SER H 1 12 ILE H . . 2.770 2.831 2.673 2.967 0.197 5 0 "[ . 1 .]" 1
83 1 11 SER HA 1 12 ILE H . . 3.330 3.649 3.638 3.661 0.331 11 0 "[ . 1 .]" 1
84 1 11 SER HA 1 14 MET QB . . 3.590 3.307 2.545 4.405 0.815 6 5 "[ **-.+ 1 *]" 1
85 1 11 SER HB2 1 12 ILE H . . 3.580 4.014 3.885 4.141 0.561 14 1 "[ . 1 +.]" 1
86 1 11 SER HB3 1 12 ILE H . . 3.420 2.736 2.526 2.870 . 0 0 "[ . 1 .]" 1
87 1 12 ILE H 1 12 ILE HB . . 2.520 2.475 2.404 2.536 0.016 4 0 "[ . 1 .]" 1
88 1 12 ILE H 1 12 ILE MD . . 4.980 3.531 3.369 3.702 . 0 0 "[ . 1 .]" 1
89 1 12 ILE H 1 12 ILE HG12 . . 3.020 2.790 2.376 3.880 0.860 5 4 "[ + * 1 * -]" 1
90 1 12 ILE H 1 12 ILE HG13 . . 3.360 3.417 2.405 3.832 0.472 4 0 "[ . 1 .]" 1
91 1 12 ILE H 1 12 ILE MG . . 4.670 3.830 3.806 3.858 . 0 0 "[ . 1 .]" 1
92 1 12 ILE H 1 13 ALA H . . 3.890 2.695 2.617 2.818 . 0 0 "[ . 1 .]" 1
93 1 12 ILE H 1 13 ALA MB . . 6.370 4.436 4.340 4.535 . 0 0 "[ . 1 .]" 1
94 1 12 ILE HA 1 13 ALA H . . 3.830 3.670 3.650 3.689 . 0 0 "[ . 1 .]" 1
95 1 12 ILE HA 1 14 MET H . . 4.510 4.602 4.286 5.039 0.529 15 1 "[ . 1 +]" 1
96 1 12 ILE HA 1 15 ASP H . . 3.790 3.301 2.977 3.660 . 0 0 "[ . 1 .]" 1
97 1 12 ILE HA 1 15 ASP QB . . 5.500 2.595 2.376 2.928 . 0 0 "[ . 1 .]" 1
98 1 12 ILE HB 1 13 ALA H . . 3.830 2.650 2.576 2.711 . 0 0 "[ . 1 .]" 1
99 1 12 ILE MD 1 13 ALA H . . 6.530 4.825 4.529 4.969 . 0 0 "[ . 1 .]" 1
100 1 12 ILE MD 1 14 MET H . . 6.530 6.282 5.829 6.908 0.378 15 0 "[ . 1 .]" 1
101 1 12 ILE MG 1 13 ALA H . . 4.790 3.320 3.117 3.457 . 0 0 "[ . 1 .]" 1
102 1 12 ILE MG 1 14 MET H . . 6.530 5.117 4.903 5.339 . 0 0 "[ . 1 .]" 1
103 1 13 ALA H 1 13 ALA MB . . 3.430 2.316 2.291 2.354 . 0 0 "[ . 1 .]" 1
104 1 13 ALA H 1 14 MET H . . 2.520 2.955 2.836 3.120 0.600 3 5 "[ -+*.* 1 *]" 1
105 1 13 ALA H 1 14 MET QB . . 6.380 5.075 4.824 5.370 . 0 0 "[ . 1 .]" 1
106 1 13 ALA H 1 15 ASP H . . 4.010 4.286 4.103 4.423 0.413 14 0 "[ . 1 .]" 1
107 1 13 ALA H 1 17 ILE QG . . 5.500 6.000 5.847 6.285 0.785 6 5 "[ -+* ** .]" 1
108 1 13 ALA HA 1 14 MET H . . 3.450 3.679 3.652 3.718 0.268 15 0 "[ . 1 .]" 1
109 1 13 ALA HA 1 15 ASP H . . 5.190 4.523 4.365 4.675 . 0 0 "[ . 1 .]" 1
110 1 13 ALA HA 1 16 LYS QB . . 4.110 3.378 2.901 4.661 0.551 8 1 "[ . + 1 .]" 1
111 1 13 ALA MB 1 14 MET H . . 3.640 2.495 2.348 2.679 . 0 0 "[ . 1 .]" 1
112 1 13 ALA MB 1 15 ASP H . . 5.010 4.587 4.421 4.739 . 0 0 "[ . 1 .]" 1
113 1 14 MET H 1 14 MET HA . . 2.990 2.837 2.787 2.894 . 0 0 "[ . 1 .]" 1
114 1 14 MET H 1 14 MET QB . . 3.620 2.477 2.418 2.534 . 0 0 "[ . 1 .]" 1
115 1 14 MET H 1 14 MET HG2 . . 2.830 2.671 2.383 3.704 0.874 6 2 "[ - .+ 1 .]" 1
116 1 14 MET H 1 14 MET HG3 . . 3.520 3.539 2.423 3.893 0.373 12 0 "[ . 1 .]" 1
117 1 14 MET HA 1 15 ASP H . . 3.920 3.650 3.628 3.671 . 0 0 "[ . 1 .]" 1
118 1 14 MET HA 1 17 ILE H . . 4.660 3.456 3.036 3.756 . 0 0 "[ . 1 .]" 1
119 1 14 MET QB 1 15 ASP H . . 4.140 3.049 2.479 3.697 . 0 0 "[ . 1 .]" 1
120 1 15 ASP H 1 15 ASP HA . . 2.770 2.812 2.764 2.863 0.093 4 0 "[ . 1 .]" 1
121 1 15 ASP H 1 15 ASP QB . . 2.800 2.321 2.297 2.350 . 0 0 "[ . 1 .]" 1
122 1 15 ASP H 1 17 ILE H . . 4.970 4.235 3.953 4.426 . 0 0 "[ . 1 .]" 1
123 1 15 ASP H 1 18 HIS QB . . 3.700 5.476 5.020 6.246 2.546 12 15 [***-*******+***] 1
124 1 15 ASP HA 1 16 LYS H . . 3.550 3.673 3.636 3.733 0.183 3 0 "[ . 1 .]" 1
125 1 15 ASP QB 1 16 LYS H . . 3.240 2.523 2.389 2.754 . 0 0 "[ . 1 .]" 1
126 1 16 LYS H 1 16 LYS HA . . 3.110 2.883 2.795 2.959 . 0 0 "[ . 1 .]" 1
127 1 16 LYS H 1 16 LYS QB . . 3.620 2.442 2.267 2.648 . 0 0 "[ . 1 .]" 1
128 1 16 LYS H 1 16 LYS HG2 . . 4.140 3.411 2.396 4.560 0.420 15 0 "[ . 1 .]" 1
129 1 16 LYS H 1 16 LYS HG3 . . 4.260 3.406 2.398 4.658 0.398 9 0 "[ . 1 .]" 1
130 1 16 LYS H 1 17 ILE H . . 2.960 2.675 2.495 2.912 . 0 0 "[ . 1 .]" 1
131 1 16 LYS HA 1 17 ILE H . . 4.170 3.636 3.616 3.657 . 0 0 "[ . 1 .]" 1
132 1 16 LYS HA 1 19 GLN H . . 4.070 4.061 3.434 4.592 0.522 3 1 "[ + . 1 .]" 1
133 1 16 LYS HA 1 19 GLN QB . . 3.830 4.345 3.270 5.253 1.423 3 6 "[ + ** **1 -]" 1
134 1 16 LYS HA 1 19 GLN QG . . 5.500 4.653 4.003 5.941 0.441 2 0 "[ . 1 .]" 1
135 1 16 LYS QB 1 17 ILE H . . 5.570 2.645 2.372 3.673 . 0 0 "[ . 1 .]" 1
136 1 17 ILE H 1 17 ILE HB . . 2.680 2.449 2.400 2.519 . 0 0 "[ . 1 .]" 1
137 1 17 ILE H 1 17 ILE QG . . 3.110 2.383 2.302 2.433 . 0 0 "[ . 1 .]" 1
138 1 17 ILE H 1 17 ILE MG . . 4.110 3.824 3.795 3.861 . 0 0 "[ . 1 .]" 1
139 1 17 ILE H 1 18 HIS H . . 3.140 2.888 2.743 3.040 . 0 0 "[ . 1 .]" 1
140 1 17 ILE HA 1 17 ILE QG . . 2.680 2.368 2.332 2.406 . 0 0 "[ . 1 .]" 1
141 1 17 ILE HA 1 17 ILE MG . . 3.430 2.576 2.531 2.614 . 0 0 "[ . 1 .]" 1
142 1 17 ILE HA 1 18 HIS H . . 4.070 3.657 3.600 3.689 . 0 0 "[ . 1 .]" 1
143 1 17 ILE HB 1 18 HIS H . . 3.480 2.999 2.798 3.286 . 0 0 "[ . 1 .]" 1
144 1 17 ILE QG 1 20 GLN HA . . 4.720 6.525 6.223 7.056 2.336 14 15 [*****-*******+*] 1
145 1 17 ILE MG 1 18 HIS H . . 5.010 3.440 3.268 3.676 . 0 0 "[ . 1 .]" 1
146 1 17 ILE MG 1 18 HIS HA . . 6.530 3.151 2.881 3.508 . 0 0 "[ . 1 .]" 1
147 1 17 ILE MG 1 18 HIS HD2 . . 5.750 5.759 5.381 6.308 0.558 12 1 "[ . 1 + .]" 1
148 1 17 ILE MG 1 21 ASP H . . 5.010 3.004 2.609 3.488 . 0 0 "[ . 1 .]" 1
149 1 17 ILE MG 1 22 PHE H . . 5.850 5.063 4.714 5.328 . 0 0 "[ . 1 .]" 1
150 1 18 HIS H 1 18 HIS HA . . 2.860 2.749 2.688 2.811 . 0 0 "[ . 1 .]" 1
151 1 18 HIS H 1 18 HIS QB . . 2.400 2.418 2.302 2.761 0.361 12 0 "[ . 1 .]" 1
152 1 18 HIS H 1 18 HIS HD2 . . 4.880 4.237 2.721 5.162 0.282 7 0 "[ . 1 .]" 1
153 1 18 HIS H 1 19 GLN H . . 3.420 3.122 2.991 3.248 . 0 0 "[ . 1 .]" 1
154 1 18 HIS H 1 19 GLN HA . . 5.500 5.623 5.509 5.698 0.198 13 0 "[ . 1 .]" 1
155 1 18 HIS H 1 21 ASP QB . . 5.040 4.783 4.688 4.886 . 0 0 "[ . 1 .]" 1
156 1 18 HIS HA 1 18 HIS HD2 . . 3.790 3.719 3.134 4.847 1.057 12 1 "[ . 1 + .]" 1
157 1 18 HIS HA 1 19 GLN H . . 3.110 3.635 3.520 3.705 0.595 2 10 "[*+ -. * ** ****]" 1
158 1 18 HIS HA 1 21 ASP H . . 4.140 3.776 3.471 4.066 . 0 0 "[ . 1 .]" 1
159 1 18 HIS QB 1 18 HIS HD2 . . 3.330 2.891 2.543 3.366 0.036 6 0 "[ . 1 .]" 1
160 1 18 HIS QB 1 19 GLN H . . 3.300 3.038 2.506 3.998 0.698 11 5 "[ * ** - 1+ .]" 1
161 1 19 GLN H 1 19 GLN HA . . 2.680 2.928 2.865 2.995 0.315 11 0 "[ . 1 .]" 1
162 1 19 GLN H 1 19 GLN QB . . 3.830 2.488 2.344 2.561 . 0 0 "[ . 1 .]" 1
163 1 19 GLN H 1 19 GLN QG . . 4.570 2.626 2.378 4.060 . 0 0 "[ . 1 .]" 1
164 1 19 GLN HA 1 19 GLN QG . . 2.400 2.415 2.320 2.511 0.111 2 0 "[ . 1 .]" 1
165 1 19 GLN HA 1 22 PHE H . . 4.630 3.418 3.285 3.584 . 0 0 "[ . 1 .]" 1
166 1 19 GLN HA 1 22 PHE QB . . 2.770 3.027 2.764 3.416 0.646 10 1 "[ . + .]" 1
167 1 19 GLN HA 1 22 PHE QD . . 7.620 4.816 4.071 5.356 . 0 0 "[ . 1 .]" 1
168 1 19 GLN HA 1 23 VAL H . . 5.130 4.315 4.012 4.699 . 0 0 "[ . 1 .]" 1
169 1 20 GLN H 1 20 GLN HA . . 2.930 2.804 2.766 2.856 . 0 0 "[ . 1 .]" 1
170 1 20 GLN H 1 20 GLN HB2 . . 2.400 2.510 2.443 2.598 0.198 15 0 "[ . 1 .]" 1
171 1 20 GLN H 1 20 GLN HB3 . . 2.740 2.630 2.550 2.766 0.026 11 0 "[ . 1 .]" 1
172 1 20 GLN H 1 21 ASP H . . 2.680 2.881 2.742 2.975 0.295 6 0 "[ . 1 .]" 1
173 1 20 GLN HA 1 20 GLN HB2 . . 2.400 2.511 2.467 2.549 0.149 4 0 "[ . 1 .]" 1
174 1 20 GLN HA 1 21 ASP H . . 3.890 3.645 3.596 3.678 . 0 0 "[ . 1 .]" 1
175 1 20 GLN HA 1 23 VAL H . . 4.450 3.292 3.045 3.569 . 0 0 "[ . 1 .]" 1
176 1 20 GLN HA 1 23 VAL QG . . 4.390 3.027 2.775 3.259 . 0 0 "[ . 1 .]" 1
177 1 20 GLN HA 1 24 ASN H . . 4.230 4.196 3.999 4.433 0.203 7 0 "[ . 1 .]" 1
178 1 20 GLN HB2 1 21 ASP H . . 3.640 4.011 3.826 4.170 0.530 15 1 "[ . 1 +]" 1
179 1 20 GLN HB3 1 21 ASP H . . 4.380 2.728 2.502 2.964 . 0 0 "[ . 1 .]" 1
180 1 20 GLN HB3 1 23 VAL H . . 5.500 5.491 5.301 5.662 0.162 2 0 "[ . 1 .]" 1
181 1 20 GLN HE21 1 23 VAL QG . . 6.530 4.395 2.822 6.711 0.181 13 0 "[ . 1 .]" 1
182 1 20 GLN QG 1 21 ASP H . . 6.380 3.774 3.611 3.964 . 0 0 "[ . 1 .]" 1
183 1 20 GLN QG 1 24 ASN HD21 . . 5.290 3.275 2.377 5.115 . 0 0 "[ . 1 .]" 1
184 1 20 GLN QG 1 24 ASN HD22 . . 6.350 2.719 2.375 3.805 . 0 0 "[ . 1 .]" 1
185 1 21 ASP H 1 21 ASP QB . . 2.830 2.308 2.272 2.333 . 0 0 "[ . 1 .]" 1
186 1 21 ASP HA 1 22 PHE H . . 3.890 3.693 3.631 3.712 . 0 0 "[ . 1 .]" 1
187 1 21 ASP HA 1 23 VAL H . . 5.280 4.422 4.241 4.580 . 0 0 "[ . 1 .]" 1
188 1 21 ASP HA 1 24 ASN H . . 4.660 3.102 2.772 3.404 . 0 0 "[ . 1 .]" 1
189 1 21 ASP HA 1 24 ASN HD21 . . 5.500 3.314 2.724 5.438 . 0 0 "[ . 1 .]" 1
190 1 21 ASP HA 1 24 ASN HD22 . . 4.420 3.746 2.747 4.869 0.449 10 0 "[ . 1 .]" 1
191 1 21 ASP QB 1 22 PHE H . . 3.050 2.626 2.513 2.865 . 0 0 "[ . 1 .]" 1
192 1 22 PHE H 1 22 PHE QB . . 2.430 2.330 2.227 2.394 . 0 0 "[ . 1 .]" 1
193 1 22 PHE H 1 23 VAL H . . 2.490 2.764 2.710 2.802 0.312 2 0 "[ . 1 .]" 1
194 1 22 PHE H 1 23 VAL HB . . 5.500 5.008 4.889 5.080 . 0 0 "[ . 1 .]" 1
195 1 22 PHE H 1 23 VAL QG . . 6.530 4.334 4.254 4.421 . 0 0 "[ . 1 .]" 1
196 1 22 PHE HA 1 23 VAL H . . 4.290 3.648 3.634 3.670 . 0 0 "[ . 1 .]" 1
197 1 22 PHE HA 1 24 ASN H . . 4.510 4.284 4.136 4.439 . 0 0 "[ . 1 .]" 1
198 1 22 PHE HA 1 25 TRP H . . 3.760 3.461 3.258 3.692 . 0 0 "[ . 1 .]" 1
199 1 22 PHE HA 1 25 TRP QB . . 2.550 3.416 3.096 3.935 1.385 8 15 [*******+***-***] 1
200 1 22 PHE HA 1 25 TRP HE3 . . 5.500 5.997 5.297 6.688 1.188 8 7 "[ *. *+*1- * *]" 1
201 1 22 PHE QB 1 23 VAL H . . 3.170 2.668 2.503 2.802 . 0 0 "[ . 1 .]" 1
202 1 22 PHE QD 1 23 VAL H . . 7.620 3.485 3.057 4.255 . 0 0 "[ . 1 .]" 1
203 1 22 PHE QD 1 23 VAL HA . . 7.030 3.235 2.818 4.095 . 0 0 "[ . 1 .]" 1
204 1 22 PHE QD 1 23 VAL QG . . 6.360 3.014 2.580 4.497 . 0 0 "[ . 1 .]" 1
205 1 22 PHE QD 1 25 TRP QB . . 6.630 3.980 2.994 4.328 . 0 0 "[ . 1 .]" 1
206 1 22 PHE QD 1 25 TRP HZ3 . . 7.400 6.816 5.773 7.611 0.211 4 0 "[ . 1 .]" 1
207 1 22 PHE QD 1 26 LEU QD . . 7.130 3.278 2.246 3.819 . 0 0 "[ . 1 .]" 1
208 1 22 PHE QD 1 26 LEU HG . . 7.620 4.332 3.221 6.222 . 0 0 "[ . 1 .]" 1
209 1 22 PHE QE 1 23 VAL QG . . 8.650 4.277 3.734 5.854 . 0 0 "[ . 1 .]" 1
210 1 22 PHE QE 1 25 TRP HH2 . . 7.620 6.914 6.244 7.661 0.041 15 0 "[ . 1 .]" 1
211 1 22 PHE QE 1 25 TRP HZ3 . . 5.980 5.323 4.577 6.292 0.312 4 0 "[ . 1 .]" 1
212 1 22 PHE QE 1 26 LEU QD . . 6.630 2.527 2.140 3.907 . 0 0 "[ . 1 .]" 1
213 1 23 VAL H 1 23 VAL HA . . 3.050 2.867 2.842 2.882 . 0 0 "[ . 1 .]" 1
214 1 23 VAL H 1 23 VAL HB . . 2.460 2.509 2.446 2.573 0.113 11 0 "[ . 1 .]" 1
215 1 23 VAL H 1 23 VAL QG . . 3.490 2.311 2.278 2.362 . 0 0 "[ . 1 .]" 1
216 1 23 VAL H 1 24 ASN H . . 2.520 2.764 2.713 2.859 0.339 14 0 "[ . 1 .]" 1
217 1 23 VAL H 1 27 LEU QD . . 6.530 6.047 5.600 7.186 0.656 3 1 "[ + . 1 .]" 1
218 1 23 VAL HA 1 24 ASN H . . 3.580 3.654 3.630 3.673 0.093 11 0 "[ . 1 .]" 1
219 1 23 VAL HA 1 25 TRP H . . 3.790 4.054 3.858 4.336 0.546 12 1 "[ . 1 + .]" 1
220 1 23 VAL HB 1 24 ASN H . . 2.680 3.030 2.885 3.210 0.530 7 1 "[ . + 1 .]" 1
221 1 23 VAL HB 1 25 TRP H . . 5.500 5.340 5.232 5.464 . 0 0 "[ . 1 .]" 1
222 1 23 VAL QG 1 24 ASN H . . 4.300 3.435 3.356 3.521 . 0 0 "[ . 1 .]" 1
223 1 23 VAL QG 1 25 TRP HZ3 . . 5.720 7.201 6.910 7.823 2.103 4 15 [***+-**********] 1
224 1 23 VAL QG 1 26 LEU QD . . 7.560 2.397 2.168 2.909 . 0 0 "[ . 1 .]" 1
225 1 23 VAL QG 1 27 LEU H . . 6.530 3.282 2.866 3.559 . 0 0 "[ . 1 .]" 1
226 1 24 ASN H 1 24 ASN HA . . 2.650 2.800 2.729 2.839 0.189 9 0 "[ . 1 .]" 1
227 1 24 ASN H 1 24 ASN HB2 . . 2.490 2.609 2.416 2.866 0.376 11 0 "[ . 1 .]" 1
228 1 24 ASN H 1 24 ASN HD21 . . 4.540 3.170 2.313 4.466 . 0 0 "[ . 1 .]" 1
229 1 24 ASN H 1 24 ASN HD22 . . 5.500 4.165 3.847 4.451 . 0 0 "[ . 1 .]" 1
230 1 24 ASN H 1 25 TRP H . . 2.770 2.884 2.790 3.001 0.231 11 0 "[ . 1 .]" 1
231 1 24 ASN HA 1 24 ASN HB3 . . 2.620 2.564 2.453 2.691 0.071 13 0 "[ . 1 .]" 1
232 1 24 ASN HA 1 25 TRP H . . 3.640 3.661 3.634 3.687 0.047 12 0 "[ . 1 .]" 1
233 1 24 ASN HA 1 27 LEU H . . 4.450 3.319 2.895 3.811 . 0 0 "[ . 1 .]" 1
234 1 24 ASN HA 1 27 LEU QB . . 4.020 3.677 2.291 4.325 0.305 10 0 "[ . 1 .]" 1
235 1 24 ASN HA 1 28 ALA H . . 4.910 4.072 3.846 4.512 . 0 0 "[ . 1 .]" 1
236 1 24 ASN HB2 1 25 TRP H . . 2.740 2.998 2.716 3.373 0.633 2 3 "[ + . *1 - .]" 1
237 1 24 ASN HB3 1 24 ASN HD21 . . 3.420 3.293 2.591 3.722 0.302 3 0 "[ . 1 .]" 1
238 1 24 ASN HB3 1 24 ASN HD22 . . 4.200 3.950 3.644 4.151 . 0 0 "[ . 1 .]" 1
239 1 24 ASN HB3 1 25 TRP H . . 3.270 3.769 3.400 3.967 0.697 6 7 "[ - *+ *1* **]" 1
240 1 25 TRP H 1 25 TRP HA . . 2.740 2.846 2.811 2.882 0.142 11 0 "[ . 1 .]" 1
241 1 25 TRP H 1 25 TRP QB . . 2.400 2.348 2.273 2.387 . 0 0 "[ . 1 .]" 1
242 1 25 TRP H 1 25 TRP HD1 . . 5.500 4.953 4.817 5.051 . 0 0 "[ . 1 .]" 1
243 1 25 TRP H 1 25 TRP HE3 . . 4.970 4.891 4.759 5.139 0.169 13 0 "[ . 1 .]" 1
244 1 25 TRP H 1 26 LEU H . . 3.080 2.803 2.706 2.944 . 0 0 "[ . 1 .]" 1
245 1 25 TRP H 1 27 LEU H . . 4.230 4.465 4.200 4.674 0.444 12 0 "[ . 1 .]" 1
246 1 25 TRP H 1 28 ALA MB . . 6.530 4.860 4.539 5.371 . 0 0 "[ . 1 .]" 1
247 1 25 TRP HA 1 25 TRP HD1 . . 4.140 3.043 2.783 3.261 . 0 0 "[ . 1 .]" 1
248 1 25 TRP HA 1 25 TRP HE3 . . 5.500 4.563 4.347 4.751 . 0 0 "[ . 1 .]" 1
249 1 25 TRP HA 1 26 LEU H . . 4.040 3.681 3.659 3.719 . 0 0 "[ . 1 .]" 1
250 1 25 TRP HA 1 27 LEU H . . 5.500 4.718 4.476 4.901 . 0 0 "[ . 1 .]" 1
251 1 25 TRP HA 1 28 ALA H . . 3.730 3.411 3.089 3.768 0.038 6 0 "[ . 1 .]" 1
252 1 25 TRP HA 1 29 GLN H . . 5.500 4.597 4.260 5.178 . 0 0 "[ . 1 .]" 1
253 1 25 TRP QB 1 25 TRP HD1 . . 3.140 2.651 2.574 2.745 . 0 0 "[ . 1 .]" 1
254 1 25 TRP QB 1 25 TRP HE3 . . 3.170 2.642 2.544 2.794 . 0 0 "[ . 1 .]" 1
255 1 25 TRP QB 1 26 LEU H . . 2.740 2.755 2.608 2.934 0.194 12 0 "[ . 1 .]" 1
256 1 25 TRP HD1 1 26 LEU QD . . 6.530 6.446 5.899 6.753 0.223 8 0 "[ . 1 .]" 1
257 1 25 TRP HD1 1 28 ALA MB . . 5.160 4.127 3.351 4.866 . 0 0 "[ . 1 .]" 1
258 1 25 TRP HD1 1 29 GLN QE . . 4.170 3.970 3.339 4.627 0.457 4 0 "[ . 1 .]" 1
259 1 25 TRP HE1 1 29 GLN QE . . 3.480 3.229 2.700 3.678 0.198 5 0 "[ . 1 .]" 1
260 1 25 TRP HE3 1 26 LEU H . . 3.420 3.218 2.940 3.717 0.297 13 0 "[ . 1 .]" 1
261 1 25 TRP HE3 1 26 LEU HA . . 2.430 2.759 2.445 3.182 0.752 2 4 "[ +* . 1- * .]" 1
262 1 25 TRP HE3 1 26 LEU QB . . 2.740 4.256 3.977 4.599 1.859 11 15 [******-***+****] 1
263 1 25 TRP HE3 1 26 LEU QD . . 3.680 2.440 2.177 2.539 . 0 0 "[ . 1 .]" 1
264 1 25 TRP HE3 1 26 LEU HG . . 2.620 3.191 2.781 3.995 1.375 11 7 "[ *. * *+-**.]" 1
265 1 25 TRP HH2 1 25 TRP HZ3 . . 2.400 2.469 2.456 2.474 0.074 15 0 "[ . 1 .]" 1
266 1 25 TRP HH2 1 26 LEU QD . . 5.720 4.807 4.219 5.939 0.219 4 0 "[ . 1 .]" 1
267 1 25 TRP HH2 1 28 ALA MB . . 6.530 6.650 6.278 7.104 0.574 7 1 "[ . + 1 .]" 1
268 1 25 TRP HZ2 1 28 ALA MB . . 5.910 5.748 5.291 6.432 0.522 7 1 "[ . + 1 .]" 1
269 1 25 TRP HZ3 1 26 LEU QD . . 3.520 2.820 2.283 4.121 0.601 4 1 "[ +. 1 .]" 1
270 1 25 TRP HZ3 1 28 ALA MB . . 6.530 6.557 5.994 6.870 0.340 7 0 "[ . 1 .]" 1
271 1 26 LEU H 1 26 LEU QB . . 2.710 2.552 2.439 2.659 . 0 0 "[ . 1 .]" 1
272 1 26 LEU H 1 26 LEU QD . . 5.130 2.995 2.238 3.289 . 0 0 "[ . 1 .]" 1
273 1 26 LEU H 1 26 LEU HG . . 3.300 2.835 2.360 4.009 0.709 11 4 "[ *. 1+ * -]" 1
274 1 26 LEU H 1 27 LEU H . . 2.860 2.925 2.748 3.102 0.242 10 0 "[ . 1 .]" 1
275 1 26 LEU H 1 28 ALA H . . 5.470 4.204 4.054 4.501 . 0 0 "[ . 1 .]" 1
276 1 26 LEU HA 1 26 LEU QB . . 2.400 2.438 2.408 2.487 0.087 11 0 "[ . 1 .]" 1
277 1 26 LEU HA 1 26 LEU QD . . 3.430 2.373 2.227 2.833 . 0 0 "[ . 1 .]" 1
278 1 26 LEU HA 1 27 LEU H . . 4.110 3.692 3.639 3.720 . 0 0 "[ . 1 .]" 1
279 1 26 LEU HA 1 28 ALA H . . 4.010 4.340 4.161 4.445 0.435 6 0 "[ . 1 .]" 1
280 1 26 LEU HA 1 28 ALA MB . . 4.820 4.823 4.592 5.178 0.358 7 0 "[ . 1 .]" 1
281 1 26 LEU HA 1 29 GLN H . . 3.110 3.598 3.198 3.869 0.759 12 8 "[ *.***** + -.]" 1
282 1 26 LEU HA 1 29 GLN QB . . 3.330 3.564 3.002 4.104 0.774 8 6 "[ *. +** - *]" 1
283 1 26 LEU HA 1 29 GLN QE . . 5.500 3.862 2.465 4.825 . 0 0 "[ . 1 .]" 1
284 1 26 LEU QB 1 27 LEU H . . 3.390 2.466 2.319 2.666 . 0 0 "[ . 1 .]" 1
285 1 26 LEU QB 1 28 ALA H . . 3.480 4.602 4.489 4.741 1.261 1 15 [+**********-***] 1
286 1 26 LEU QD 1 27 LEU H . . 6.530 4.049 3.873 4.192 . 0 0 "[ . 1 .]" 1
287 1 26 LEU HG 1 27 LEU H . . 5.500 4.657 4.415 5.209 . 0 0 "[ . 1 .]" 1
288 1 27 LEU H 1 27 LEU HA . . 3.020 2.821 2.774 2.867 . 0 0 "[ . 1 .]" 1
289 1 27 LEU H 1 27 LEU QB . . 3.560 2.447 2.258 2.541 . 0 0 "[ . 1 .]" 1
290 1 27 LEU H 1 27 LEU QD . . 4.820 3.313 3.134 3.801 . 0 0 "[ . 1 .]" 1
291 1 27 LEU H 1 27 LEU HG . . 3.670 2.866 2.333 4.547 0.877 7 2 "[ - . + 1 .]" 1
292 1 27 LEU H 1 28 ALA H . . 2.990 2.835 2.720 2.978 . 0 0 "[ . 1 .]" 1
293 1 27 LEU H 1 28 ALA HA . . 5.440 5.358 5.245 5.482 0.042 5 0 "[ . 1 .]" 1
294 1 27 LEU H 1 28 ALA MB . . 6.530 4.581 4.483 4.708 . 0 0 "[ . 1 .]" 1
295 1 27 LEU HA 1 27 LEU QD . . 3.430 3.279 2.206 3.470 0.040 10 0 "[ . 1 .]" 1
296 1 27 LEU HA 1 28 ALA H . . 3.830 3.612 3.541 3.649 . 0 0 "[ . 1 .]" 1
297 1 27 LEU QB 1 28 ALA H . . 3.460 3.655 2.538 3.943 0.483 14 0 "[ . 1 .]" 1
298 1 27 LEU QD 1 28 ALA H . . 6.530 3.109 2.799 4.055 . 0 0 "[ . 1 .]" 1
299 1 27 LEU HG 1 28 ALA H . . 3.240 2.823 2.445 3.870 0.630 7 1 "[ . + 1 .]" 1
300 1 28 ALA H 1 28 ALA HA . . 2.800 2.824 2.772 2.901 0.101 14 0 "[ . 1 .]" 1
301 1 28 ALA H 1 28 ALA MB . . 3.430 2.299 2.277 2.331 . 0 0 "[ . 1 .]" 1
302 1 28 ALA HA 1 29 GLN H . . 3.610 3.655 3.621 3.686 0.076 1 0 "[ . 1 .]" 1
303 1 28 ALA HA 1 31 GLY H . . 3.520 3.679 3.137 4.725 1.205 9 2 "[- . +1 .]" 1
304 1 28 ALA MB 1 29 GLN H . . 3.430 2.636 2.468 2.803 . 0 0 "[ . 1 .]" 1
305 1 28 ALA MB 1 29 GLN QE . . 4.300 2.560 2.337 2.830 . 0 0 "[ . 1 .]" 1
306 1 29 GLN H 1 29 GLN QB . . 2.740 2.526 2.342 2.688 . 0 0 "[ . 1 .]" 1
307 1 29 GLN H 1 29 GLN QE . . 5.500 2.667 2.413 2.827 . 0 0 "[ . 1 .]" 1
308 1 29 GLN HA 1 29 GLN QB . . 2.400 2.426 2.374 2.505 0.105 7 0 "[ . 1 .]" 1
309 1 29 GLN HA 1 29 GLN QE . . 5.500 3.281 2.599 4.133 . 0 0 "[ . 1 .]" 1
310 1 29 GLN HA 1 30 LYS H . . 3.580 3.583 2.341 3.716 0.136 13 0 "[ . 1 .]" 1
311 1 29 GLN HA 1 32 LYS QB . . 2.400 3.281 2.338 4.438 2.038 14 10 "[ ***. **-* *+*]" 1
312 1 29 GLN QB 1 30 LYS H . . 3.550 2.768 2.387 3.872 0.322 14 0 "[ . 1 .]" 1
313 1 30 LYS H 1 30 LYS HA . . 2.620 2.789 2.638 2.890 0.270 5 0 "[ . 1 .]" 1
314 1 30 LYS H 1 30 LYS QB . . 2.770 2.498 2.274 3.630 0.860 14 1 "[ . 1 +.]" 1
315 1 30 LYS H 1 30 LYS QG . . 5.070 2.987 2.338 4.051 . 0 0 "[ . 1 .]" 1
316 1 30 LYS H 1 31 GLY H . . 2.800 2.867 2.407 3.140 0.340 8 0 "[ . 1 .]" 1
317 1 30 LYS H 1 32 LYS H . . 4.350 4.493 2.963 5.280 0.930 15 2 "[ . - 1 +]" 1
318 1 30 LYS HA 1 30 LYS QB . . 2.400 2.261 2.162 2.487 0.087 3 0 "[ . 1 .]" 1
319 1 30 LYS HA 1 31 GLY H . . 3.480 3.635 3.598 3.701 0.221 6 0 "[ . 1 .]" 1
320 1 30 LYS HA 1 32 LYS H . . 5.500 4.503 3.938 5.042 . 0 0 "[ . 1 .]" 1
321 1 30 LYS QB 1 31 GLY H . . 4.040 3.450 2.584 3.827 . 0 0 "[ . 1 .]" 1
322 1 31 GLY H 1 31 GLY QA . . 2.400 2.249 2.220 2.501 0.101 14 0 "[ . 1 .]" 1
323 1 31 GLY H 1 32 LYS H . . 4.600 2.836 2.433 3.108 . 0 0 "[ . 1 .]" 1
324 1 31 GLY QA 1 32 LYS H . . 2.550 2.710 2.574 2.851 0.301 14 0 "[ . 1 .]" 1
325 1 32 LYS H 1 32 LYS QB . . 2.400 2.358 2.245 2.546 0.146 8 0 "[ . 1 .]" 1
326 1 32 LYS H 1 32 LYS QD . . 6.160 3.298 2.231 4.943 . 0 0 "[ . 1 .]" 1
327 1 32 LYS H 1 32 LYS QG . . 4.420 3.832 3.565 4.140 . 0 0 "[ . 1 .]" 1
328 1 32 LYS H 1 33 LYS H . . 2.400 2.701 2.498 2.904 0.504 11 1 "[ . 1+ .]" 1
329 1 32 LYS HA 1 33 LYS H . . 3.610 3.668 3.623 3.696 0.086 14 0 "[ . 1 .]" 1
330 1 32 LYS HA 1 35 ASP H . . 3.730 4.292 3.588 5.252 1.522 15 9 "[ -*** ***1 * +]" 1
331 1 32 LYS QB 1 33 LYS H . . 2.650 2.456 2.301 2.796 0.146 11 0 "[ . 1 .]" 1
332 1 33 LYS H 1 33 LYS HA . . 2.800 2.457 2.259 2.830 0.030 14 0 "[ . 1 .]" 1
333 1 33 LYS H 1 33 LYS QB . . 2.550 2.766 2.246 3.185 0.635 13 2 "[ . - 1 + .]" 1
334 1 33 LYS H 1 33 LYS QG . . 3.730 3.828 2.308 4.156 0.426 10 0 "[ . 1 .]" 1
335 1 33 LYS H 1 34 ASN H . . 2.620 2.908 2.647 3.460 0.840 13 1 "[ . 1 + .]" 1
336 1 33 LYS HA 1 33 LYS QG . . 2.930 2.473 2.263 3.614 0.684 14 1 "[ . 1 +.]" 1
337 1 33 LYS HA 1 34 ASN H . . 3.480 3.043 2.458 3.669 0.189 13 0 "[ . 1 .]" 1
338 1 33 LYS HA 1 35 ASP H . . 5.220 4.668 3.699 5.931 0.711 13 1 "[ . 1 + .]" 1
339 1 33 LYS QB 1 34 ASN H . . 3.330 3.583 2.462 4.140 0.810 7 10 "[ **.*+**** -*]" 1
340 1 33 LYS QG 1 34 ASN H . . 5.500 4.185 3.538 4.970 . 0 0 "[ . 1 .]" 1
341 1 34 ASN H 1 34 ASN HA . . 2.990 2.714 2.307 3.008 0.018 14 0 "[ . 1 .]" 1
342 1 34 ASN H 1 34 ASN QB . . 3.590 2.984 2.377 3.501 . 0 0 "[ . 1 .]" 1
343 1 34 ASN H 1 34 ASN HD21 . . 5.500 4.524 3.345 5.540 0.040 3 0 "[ . 1 .]" 1
344 1 34 ASN H 1 35 ASP H . . 2.460 2.976 2.314 3.468 1.008 5 11 "[****+*- *** *.]" 1
345 1 34 ASN H 1 36 TRP H . . 4.720 4.886 3.116 5.874 1.154 5 10 "[****+-* 1** *.]" 1
346 1 34 ASN HA 1 37 LYS H . . 3.640 3.226 2.701 4.426 0.786 3 1 "[ + . 1 .]" 1
347 1 35 ASP H 1 35 ASP HB2 . . 4.320 2.882 2.521 3.680 . 0 0 "[ . 1 .]" 1
348 1 35 ASP H 1 35 ASP HB3 . . 2.830 2.819 2.490 3.689 0.859 8 3 "[ - . + 1 * .]" 1
349 1 35 ASP H 1 36 TRP H . . 2.740 2.942 2.441 3.487 0.747 7 4 "[ *. +* 1 -]" 1
350 1 35 ASP HA 1 36 TRP H . . 3.550 3.457 2.554 3.689 0.139 5 0 "[ . 1 .]" 1
351 1 35 ASP HB2 1 36 TRP H . . 4.630 3.889 2.574 4.755 0.125 3 0 "[ . 1 .]" 1
352 1 35 ASP HB3 1 36 TRP H . . 4.570 3.282 2.417 4.589 0.019 3 0 "[ . 1 .]" 1
353 1 36 TRP H 1 36 TRP HA . . 2.960 2.823 2.304 2.989 0.029 6 0 "[ . 1 .]" 1
354 1 36 TRP H 1 36 TRP QB . . 3.560 2.793 2.635 3.010 . 0 0 "[ . 1 .]" 1
355 1 36 TRP H 1 36 TRP HD1 . . 5.340 5.220 4.454 5.430 0.090 6 0 "[ . 1 .]" 1
356 1 36 TRP H 1 37 LYS H . . 2.620 2.898 2.557 3.156 0.536 4 1 "[ +. 1 .]" 1
357 1 36 TRP HA 1 36 TRP HD1 . . 3.700 2.871 2.646 3.089 . 0 0 "[ . 1 .]" 1
358 1 36 TRP HA 1 36 TRP HE3 . . 4.170 4.839 4.654 5.009 0.839 12 14 [******-**1*+***] 1
359 1 36 TRP HA 1 37 LYS H . . 2.520 2.620 2.513 2.890 0.370 6 0 "[ . 1 .]" 1
360 1 36 TRP QB 1 36 TRP HE3 . . 3.680 2.619 2.541 2.739 . 0 0 "[ . 1 .]" 1
361 1 36 TRP QB 1 37 LYS H . . 4.550 4.141 4.030 4.207 . 0 0 "[ . 1 .]" 1
362 1 36 TRP HD1 1 37 LYS H . . 5.500 5.353 4.865 5.935 0.435 6 0 "[ . 1 .]" 1
363 1 36 TRP HE3 1 37 LYS HA . . 4.200 4.668 4.194 4.996 0.796 12 7 "[*- . **1*+ *]" 1
364 1 36 TRP HH2 1 36 TRP HZ3 . . 2.400 2.474 2.473 2.476 0.076 11 0 "[ . 1 .]" 1
365 1 37 LYS H 1 37 LYS HA . . 2.960 3.004 2.958 3.027 0.067 13 0 "[ . 1 .]" 1
366 1 37 LYS H 1 37 LYS QB . . 3.870 2.600 2.328 3.244 . 0 0 "[ . 1 .]" 1
367 1 37 LYS H 1 37 LYS QD . . 4.800 4.568 2.675 5.148 0.348 12 0 "[ . 1 .]" 1
368 1 37 LYS H 1 37 LYS QG . . 4.450 4.011 2.515 4.353 . 0 0 "[ . 1 .]" 1
369 1 37 LYS H 1 38 HIS H . . 2.590 3.134 2.386 3.728 1.138 6 7 "[ ** .+ -* * *]" 1
370 1 37 LYS HA 1 38 HIS H . . 2.770 2.622 2.377 3.040 0.270 4 0 "[ . 1 .]" 1
371 1 37 LYS QD 1 38 HIS H . . 6.380 5.030 3.611 6.106 . 0 0 "[ . 1 .]" 1
372 1 38 HIS H 1 38 HIS HA . . 2.550 2.562 2.293 2.926 0.376 4 0 "[ . 1 .]" 1
373 1 38 HIS H 1 39 ASN H . . 3.700 3.304 2.444 4.326 0.626 11 3 "[- . 1+ * .]" 1
374 1 38 HIS HA 1 39 ASN H . . 3.020 2.534 2.335 2.969 . 0 0 "[ . 1 .]" 1
375 1 38 HIS HA 1 42 GLN H . . 3.950 3.889 2.516 5.175 1.225 13 4 "[ . *1 -+ *]" 1
376 1 38 HIS QB 1 39 ASN H . . 6.380 3.933 2.721 4.193 . 0 0 "[ . 1 .]" 1
377 1 39 ASN H 1 40 ILE H . . 3.890 3.398 2.713 4.092 0.202 10 0 "[ . 1 .]" 1
378 1 39 ASN HA 1 40 ILE H . . 2.430 2.545 2.404 2.745 0.315 15 0 "[ . 1 .]" 1
379 1 39 ASN QB 1 40 ILE H . . 6.380 4.085 3.923 4.174 . 0 0 "[ . 1 .]" 1
380 1 40 ILE H 1 40 ILE HB . . 3.050 3.668 3.604 3.791 0.741 4 15 [**-+***********] 1
381 1 40 ILE H 1 40 ILE HG12 . . 3.240 3.171 2.915 3.582 0.342 4 0 "[ . 1 .]" 1
382 1 40 ILE H 1 40 ILE HG13 . . 3.140 2.719 2.624 2.951 . 0 0 "[ . 1 .]" 1
383 1 40 ILE HA 1 41 THR H . . 2.710 2.489 2.303 2.797 0.087 15 0 "[ . 1 .]" 1
384 1 41 THR H 1 42 GLN H . . 2.520 2.866 2.429 3.176 0.656 13 3 "[ *- 1 + .]" 1
385 1 41 THR HA 1 42 GLN H . . 3.080 2.771 2.427 3.630 0.550 13 1 "[ . 1 + .]" 1
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