NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392614 |
1q2i   |
5911 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q2i
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 316
_Distance_constraint_stats_list.Viol_count 2239
_Distance_constraint_stats_list.Viol_total 22821.865
_Distance_constraint_stats_list.Viol_max 2.652
_Distance_constraint_stats_list.Viol_rms 0.3917
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1806
_Distance_constraint_stats_list.Viol_average_violations_only 0.5096
_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 PRO 0.089 0.053 14 0 "[ . 1 . 2]"
1 2 PRO 0.089 0.053 14 0 "[ . 1 . 2]"
1 3 LEU 6.265 0.358 10 0 "[ . 1 . 2]"
1 4 SER 8.533 0.746 10 2 "[ -. + . 2]"
1 5 GLN 18.886 0.634 8 19 "[***** *+*-**********]"
1 6 GLU 22.306 0.854 6 20 [*****+*******-******]
1 7 THR 26.498 0.717 4 20 [***+****************]
1 8 PHE 30.235 0.746 10 20 [***-*****+**********]
1 9 SER 41.919 0.923 4 20 [***+****************]
1 10 ASP 41.121 1.401 12 20 [**********-+********]
1 11 LEU 149.025 2.278 10 20 [**-******+**********]
1 12 TRP 341.077 2.652 10 20 [*******-*+**********]
1 13 LYS 223.369 2.652 10 20 [*******-*+**********]
1 14 LEU 115.104 2.295 19 20 [**-***************+*]
1 15 LEU 56.148 1.091 8 20 [*******+*-**********]
1 16 LYS 168.340 1.976 9 20 [********+***-*******]
1 17 LYS 157.292 1.743 19 20 [**********-*******+*]
1 18 TRP 205.643 1.976 9 20 [********+***********]
1 19 LYS 90.040 1.870 9 20 [********+***********]
1 20 MET 24.157 0.817 18 18 "[*-**. ***********+**]"
1 21 ARG 55.901 1.248 15 20 [**************+*-***]
1 22 ARG 48.147 0.810 16 20 [*-*************+****]
1 23 ASN 54.176 1.248 15 20 [-*************+*****]
1 24 GLN 31.549 0.735 15 8 "[- ** * * + **2]"
1 25 PHE 27.278 1.135 20 10 "[ * - * ** **** +]"
1 26 TRP 59.223 1.188 18 20 [***********-*****+**]
1 27 VAL 32.223 0.724 11 13 "[ * * ***1+***-*** 2]"
1 28 LYS 20.716 0.700 17 13 "[ * * -**1******+* 2]"
1 29 VAL 9.415 0.330 12 0 "[ . 1 . 2]"
1 30 GLN 15.888 0.862 17 8 "[* .*- ** ** . + 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PRO HA 1 2 PRO HD3 . . 3.592 2.330 2.252 2.423 . 0 0 "[ . 1 . 2]" 1
2 1 1 PRO HB3 1 2 PRO HD2 . . 3.769 3.219 2.763 3.822 0.053 14 0 "[ . 1 . 2]" 1
3 1 2 PRO HA 1 3 LEU H . . 2.817 2.535 2.182 2.806 . 0 0 "[ . 1 . 2]" 1
4 1 3 LEU H 1 3 LEU HB2 . . 3.682 3.480 2.503 4.035 0.353 11 0 "[ . 1 . 2]" 1
5 1 3 LEU H 1 3 LEU HB3 . . 4.119 3.650 2.899 4.117 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU H 1 4 SER H . . 3.921 3.959 3.547 4.194 0.273 8 0 "[ . 1 . 2]" 1
7 1 3 LEU HA 1 3 LEU MD1 . . 4.099 3.045 1.782 4.100 0.001 19 0 "[ . 1 . 2]" 1
8 1 3 LEU HA 1 4 SER H . . 2.751 2.199 2.165 2.275 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU HB2 1 4 SER H . . 4.350 4.154 2.951 4.533 0.183 3 0 "[ . 1 . 2]" 1
10 1 3 LEU HB3 1 4 SER H . . 4.069 3.920 3.268 4.427 0.358 10 0 "[ . 1 . 2]" 1
11 1 4 SER H 1 4 SER HA . . 3.097 2.585 2.288 2.925 . 0 0 "[ . 1 . 2]" 1
12 1 4 SER H 1 4 SER QB . . 3.437 2.902 2.743 3.032 . 0 0 "[ . 1 . 2]" 1
13 1 4 SER H 1 5 GLN H . . 3.721 3.712 3.452 3.973 0.252 1 0 "[ . 1 . 2]" 1
14 1 4 SER HA 1 5 GLN H . . 2.762 2.186 2.162 2.248 . 0 0 "[ . 1 . 2]" 1
15 1 4 SER HA 1 8 PHE QB . . 3.996 3.362 3.109 4.742 0.746 10 2 "[ -. + . 2]" 1
16 1 4 SER HA 1 9 SER H . . 3.514 3.064 2.813 3.825 0.311 10 0 "[ . 1 . 2]" 1
17 1 4 SER QB 1 5 GLN H . . 3.862 3.862 3.705 3.999 0.137 4 0 "[ . 1 . 2]" 1
18 1 5 GLN H 1 5 GLN HB2 . . 3.929 3.155 2.785 4.093 0.164 4 0 "[ . 1 . 2]" 1
19 1 5 GLN H 1 5 GLN HB3 . . 3.474 3.563 2.933 3.935 0.461 8 0 "[ . 1 . 2]" 1
20 1 5 GLN H 1 5 GLN QG . . 3.996 3.768 2.652 4.311 0.315 1 0 "[ . 1 . 2]" 1
21 1 5 GLN H 1 6 GLU H . . 3.133 2.910 1.780 3.314 0.181 8 0 "[ . 1 . 2]" 1
22 1 5 GLN HA 1 5 GLN QG . . 3.733 2.278 1.895 3.278 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLN HA 1 8 PHE QD . . 4.269 4.827 4.631 4.903 0.634 8 19 "[***** *+*-**********]" 1
24 1 5 GLN HB2 1 6 GLU H . . 4.013 2.815 1.834 4.285 0.272 10 0 "[ . 1 . 2]" 1
25 1 5 GLN QG 1 6 GLU H . . 4.394 3.449 1.904 3.936 . 0 0 "[ . 1 . 2]" 1
26 1 6 GLU H 1 6 GLU HA . . 3.143 2.982 2.980 2.983 . 0 0 "[ . 1 . 2]" 1
27 1 6 GLU H 1 6 GLU HB3 . . 3.160 3.311 2.918 3.782 0.622 18 5 "[ .* 1 -* *+ 2]" 1
28 1 6 GLU H 1 6 GLU HG2 . . 4.022 2.761 1.894 3.875 . 0 0 "[ . 1 . 2]" 1
29 1 6 GLU H 1 6 GLU HG3 . . 4.013 3.078 2.206 3.963 . 0 0 "[ . 1 . 2]" 1
30 1 6 GLU H 1 7 THR H . . 2.958 2.903 2.749 3.169 0.211 6 0 "[ . 1 . 2]" 1
31 1 6 GLU HA 1 6 GLU HG2 . . 4.099 3.186 2.040 4.080 . 0 0 "[ . 1 . 2]" 1
32 1 6 GLU HA 1 6 GLU HG3 . . 4.059 3.589 3.096 3.967 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLU HA 1 7 THR H . . 2.659 2.780 2.614 2.825 0.166 8 0 "[ . 1 . 2]" 1
34 1 6 GLU HA 1 9 SER H . . 4.050 4.757 4.703 4.904 0.854 6 20 [*****+*-************] 1
35 1 7 THR H 1 7 THR HA . . 3.047 2.853 2.656 2.906 . 0 0 "[ . 1 . 2]" 1
36 1 7 THR H 1 7 THR HB . . 3.091 3.001 2.861 3.334 0.243 6 0 "[ . 1 . 2]" 1
37 1 7 THR H 1 7 THR MG . . 3.751 3.685 3.547 3.917 0.166 6 0 "[ . 1 . 2]" 1
38 1 7 THR H 1 9 SER H . . 4.425 2.257 2.188 2.531 . 0 0 "[ . 1 . 2]" 1
39 1 7 THR HA 1 7 THR MG . . 3.062 2.704 2.648 2.884 . 0 0 "[ . 1 . 2]" 1
40 1 7 THR HA 1 8 PHE H . . 2.865 3.532 3.496 3.582 0.717 4 20 [***+*-**************] 1
41 1 7 THR HA 1 8 PHE QD . . 4.474 4.691 4.579 4.989 0.515 10 2 "[ -. + . 2]" 1
42 1 7 THR HA 1 9 SER H . . 3.937 3.989 3.828 4.436 0.499 4 0 "[ . 1 . 2]" 1
43 1 7 THR HB 1 9 SER H . . 3.869 4.063 3.956 4.160 0.291 12 0 "[ . 1 . 2]" 1
44 1 7 THR MG 1 8 PHE H . . 4.329 1.509 1.471 1.541 . 0 0 "[ . 1 . 2]" 1
45 1 7 THR MG 1 11 LEU MD1 . . 5.325 3.138 2.958 3.888 . 0 0 "[ . 1 . 2]" 1
46 1 7 THR MG 1 11 LEU MD2 . . 5.881 4.103 4.052 4.375 . 0 0 "[ . 1 . 2]" 1
47 1 8 PHE H 1 8 PHE HA . . 3.062 2.795 2.759 2.949 . 0 0 "[ . 1 . 2]" 1
48 1 8 PHE H 1 8 PHE QB . . 3.242 2.842 2.811 2.975 . 0 0 "[ . 1 . 2]" 1
49 1 8 PHE H 1 8 PHE QD . . 3.884 2.162 1.722 2.286 . 0 0 "[ . 1 . 2]" 1
50 1 8 PHE H 1 9 SER H . . 3.025 2.718 2.240 2.814 . 0 0 "[ . 1 . 2]" 1
51 1 8 PHE HA 1 8 PHE QD . . 3.602 3.556 3.544 3.583 . 0 0 "[ . 1 . 2]" 1
52 1 8 PHE HA 1 9 SER H . . 3.583 3.456 3.410 3.473 . 0 0 "[ . 1 . 2]" 1
53 1 8 PHE HA 1 11 LEU H . . 4.162 3.612 3.565 3.851 . 0 0 "[ . 1 . 2]" 1
54 1 8 PHE QB 1 9 SER H . . 3.710 3.518 3.464 3.573 . 0 0 "[ . 1 . 2]" 1
55 1 8 PHE QD 1 9 SER H . . 4.244 1.779 1.713 2.111 . 0 0 "[ . 1 . 2]" 1
56 1 8 PHE QD 1 9 SER HA . . 3.884 3.790 3.528 3.920 0.036 6 0 "[ . 1 . 2]" 1
57 1 8 PHE QD 1 11 LEU MD1 . . 4.179 4.038 3.396 4.139 . 0 0 "[ . 1 . 2]" 1
58 1 8 PHE QD 1 11 LEU MD2 . . 4.238 3.757 2.988 3.864 . 0 0 "[ . 1 . 2]" 1
59 1 9 SER H 1 9 SER HA . . 2.942 2.874 2.592 2.910 . 0 0 "[ . 1 . 2]" 1
60 1 9 SER H 1 9 SER HB2 . . 3.351 2.600 2.061 3.597 0.246 15 0 "[ . 1 . 2]" 1
61 1 9 SER H 1 9 SER HB3 . . 3.185 2.715 2.060 3.356 0.171 7 0 "[ . 1 . 2]" 1
62 1 9 SER H 1 10 ASP H . . 2.915 2.476 2.384 3.181 0.266 4 0 "[ . 1 . 2]" 1
63 1 9 SER H 1 11 LEU H . . 3.929 4.084 3.989 4.587 0.658 10 2 "[ -. + . 2]" 1
64 1 9 SER HA 1 9 SER HB3 . . 3.046 2.912 2.495 3.045 . 0 0 "[ . 1 . 2]" 1
65 1 9 SER HA 1 11 LEU H . . 3.855 3.764 3.704 4.043 0.188 10 0 "[ . 1 . 2]" 1
66 1 9 SER HA 1 12 TRP H . . 3.953 4.730 4.676 4.876 0.923 4 20 [***+****-***********] 1
67 1 9 SER HA 1 12 TRP QB . . 3.739 3.670 3.587 3.698 . 0 0 "[ . 1 . 2]" 1
68 1 9 SER HA 1 12 TRP HD1 . . 3.666 1.714 1.516 1.767 . 0 0 "[ . 1 . 2]" 1
69 1 9 SER HB2 1 10 ASP H . . 3.987 3.875 3.294 4.318 0.331 13 0 "[ . 1 . 2]" 1
70 1 9 SER HB3 1 10 ASP H . . 3.693 3.195 2.646 4.026 0.333 2 0 "[ . 1 . 2]" 1
71 1 10 ASP H 1 10 ASP HB2 . . 3.336 2.449 2.062 3.489 0.153 10 0 "[ . 1 . 2]" 1
72 1 10 ASP H 1 10 ASP HB3 . . 3.330 2.953 2.755 3.337 0.007 18 0 "[ . 1 . 2]" 1
73 1 10 ASP H 1 11 LEU H . . 2.937 2.646 2.563 2.997 0.060 4 0 "[ . 1 . 2]" 1
74 1 10 ASP HA 1 11 LEU H . . 3.437 3.516 3.498 3.592 0.155 10 0 "[ . 1 . 2]" 1
75 1 10 ASP HA 1 12 TRP HD1 . . 4.663 6.015 5.856 6.064 1.401 12 20 [***-*******+********] 1
76 1 10 ASP HA 1 13 LYS H . . 4.350 4.732 4.620 4.778 0.428 17 0 "[ . 1 . 2]" 1
77 1 10 ASP HB2 1 11 LEU H . . 3.906 3.628 3.094 3.904 . 0 0 "[ . 1 . 2]" 1
78 1 10 ASP HB3 1 11 LEU H . . 3.693 3.368 3.016 4.305 0.612 18 3 "[ . 1- * + 2]" 1
79 1 11 LEU H 1 11 LEU HA . . 3.044 2.925 2.862 2.938 . 0 0 "[ . 1 . 2]" 1
80 1 11 LEU H 1 11 LEU QB . . 3.042 2.931 2.810 2.952 . 0 0 "[ . 1 . 2]" 1
81 1 11 LEU H 1 11 LEU MD1 . . 4.343 0.743 0.639 1.503 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU H 1 11 LEU MD2 . . 4.202 2.095 1.552 2.258 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU H 1 11 LEU HG . . 3.339 3.030 2.957 3.172 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU H 1 12 TRP HD1 . . 4.508 4.603 4.528 4.758 0.250 4 0 "[ . 1 . 2]" 1
85 1 11 LEU HA 1 11 LEU MD1 . . 3.666 2.679 2.613 3.088 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU HA 1 11 LEU MD2 . . 3.616 3.643 3.143 3.707 0.091 11 0 "[ . 1 . 2]" 1
87 1 11 LEU HA 1 12 TRP H . . 3.769 3.464 3.388 3.486 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU HA 1 14 LEU H . . 3.693 4.026 3.900 4.260 0.567 17 4 "[ - . * 1 * . + 2]" 1
89 1 11 LEU HA 1 14 LEU QB . . 3.621 4.314 4.213 4.478 0.857 4 20 [***+**************-*] 1
90 1 11 LEU HA 1 14 LEU QD . . 4.018 2.268 2.140 2.459 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU QB 1 12 TRP H . . 3.801 1.598 1.547 1.641 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU QB 1 12 TRP HD1 . . 4.269 5.400 5.288 5.429 1.160 9 20 [********+-**********] 1
93 1 11 LEU QB 1 12 TRP HE1 . . 4.350 5.530 5.456 5.558 1.208 19 20 [*********-********+*] 1
94 1 11 LEU QB 1 12 TRP HZ2 . . 4.308 5.370 5.322 5.461 1.153 10 20 [*********+*-********] 1
95 1 11 LEU QB 1 13 LYS HA . . 4.089 6.318 6.295 6.367 2.278 10 20 [*********+*-********] 1
96 1 11 LEU MD1 1 12 TRP HD1 . . 4.282 4.312 4.185 4.751 0.469 4 0 "[ . 1 . 2]" 1
97 1 11 LEU MD1 1 12 TRP HE1 . . 5.159 4.121 4.083 4.239 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU MD2 1 12 TRP H . . 4.742 1.731 1.675 1.803 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU MD2 1 12 TRP HD1 . . 4.674 2.954 2.544 3.032 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU MD2 1 12 TRP HZ2 . . 4.719 2.719 2.593 3.576 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU MD2 1 12 TRP HZ3 . . 4.500 3.316 3.146 4.476 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU HG 1 12 TRP HZ2 . . 4.379 4.547 3.810 4.638 0.259 19 0 "[ . 1 . 2]" 1
103 1 12 TRP H 1 12 TRP QB . . 3.357 3.150 3.129 3.209 . 0 0 "[ . 1 . 2]" 1
104 1 12 TRP H 1 12 TRP HD1 . . 3.602 4.271 4.193 4.377 0.775 4 20 [***+*****-**********] 1
105 1 12 TRP H 1 12 TRP HE3 . . 4.582 2.559 2.479 2.821 . 0 0 "[ . 1 . 2]" 1
106 1 12 TRP H 1 13 LYS H . . 3.403 3.344 3.305 3.384 . 0 0 "[ . 1 . 2]" 1
107 1 12 TRP H 1 14 LEU H . . 4.130 4.016 3.925 4.052 . 0 0 "[ . 1 . 2]" 1
108 1 12 TRP HA 1 12 TRP HD1 . . 3.510 4.875 4.842 4.884 1.374 12 20 [*********-*+********] 1
109 1 12 TRP HA 1 12 TRP HE3 . . 3.145 2.300 2.274 2.317 . 0 0 "[ . 1 . 2]" 1
110 1 12 TRP HA 1 13 LYS H . . 3.801 3.566 3.555 3.574 . 0 0 "[ . 1 . 2]" 1
111 1 12 TRP HA 1 13 LYS HA . . 4.379 4.901 4.880 4.919 0.540 10 20 [*******-*+**********] 1
112 1 12 TRP HA 1 14 LEU QD . . 4.250 1.916 1.817 2.025 . 0 0 "[ . 1 . 2]" 1
113 1 12 TRP HA 1 15 LEU QB . . 3.570 3.146 2.932 4.030 0.460 19 0 "[ . 1 . 2]" 1
114 1 12 TRP HA 1 15 LEU HG . . 3.656 3.841 1.940 4.369 0.713 15 3 "[ . 1* + - 2]" 1
115 1 12 TRP HA 1 16 LYS H . . 4.365 4.797 3.868 5.222 0.857 6 11 "[** -*+* ** *.* *]" 1
116 1 12 TRP QB 1 12 TRP HD1 . . 3.430 2.464 2.459 2.466 . 0 0 "[ . 1 . 2]" 1
117 1 12 TRP QB 1 12 TRP HE3 . . 3.579 3.181 3.129 3.195 . 0 0 "[ . 1 . 2]" 1
118 1 12 TRP QB 1 13 LYS H . . 3.775 2.699 2.644 2.768 . 0 0 "[ . 1 . 2]" 1
119 1 12 TRP HD1 1 13 LYS H . . 4.269 4.426 4.350 4.482 0.213 20 0 "[ . 1 . 2]" 1
120 1 12 TRP HD1 1 13 LYS HA . . 4.457 6.087 6.067 6.118 1.661 3 20 [**+*****-***********] 1
121 1 12 TRP HD1 1 13 LYS QB . . 4.563 5.466 5.416 5.533 0.970 20 20 [*******-***********+] 1
122 1 12 TRP HD1 1 14 LEU QD . . 4.803 5.088 4.988 5.168 0.365 3 0 "[ . 1 . 2]" 1
123 1 12 TRP HE3 1 13 LYS HA . . 4.491 7.092 7.064 7.143 2.652 10 20 [*********+*-********] 1
124 1 12 TRP HE3 1 14 LEU QB . . 4.004 6.245 6.192 6.299 2.295 19 20 [******************+-] 1
125 1 12 TRP HE3 1 14 LEU QD . . 4.269 3.124 3.040 3.196 . 0 0 "[ . 1 . 2]" 1
126 1 12 TRP HE3 1 15 LEU QD . . 4.719 4.119 2.348 5.124 0.405 14 0 "[ . 1 . 2]" 1
127 1 12 TRP HH2 1 12 TRP HZ3 . . 2.517 2.477 2.477 2.478 . 0 0 "[ . 1 . 2]" 1
128 1 12 TRP HZ3 1 14 LEU QD . . 4.457 4.472 4.423 4.546 0.089 10 0 "[ . 1 . 2]" 1
129 1 13 LYS H 1 13 LYS QB . . 3.024 2.179 2.131 2.228 . 0 0 "[ . 1 . 2]" 1
130 1 13 LYS H 1 13 LYS HG2 . . 4.040 4.362 4.185 4.530 0.490 19 0 "[ . 1 . 2]" 1
131 1 13 LYS H 1 13 LYS HG3 . . 4.474 4.350 4.136 4.470 . 0 0 "[ . 1 . 2]" 1
132 1 13 LYS H 1 14 LEU HG . . 4.622 5.533 5.380 5.646 1.024 19 20 [***-**************+*] 1
133 1 13 LYS H 1 15 LEU H . . 4.140 4.496 4.387 4.637 0.497 4 0 "[ . 1 . 2]" 1
134 1 13 LYS HA 1 13 LYS HG2 . . 4.295 2.884 2.284 3.600 . 0 0 "[ . 1 . 2]" 1
135 1 13 LYS HA 1 13 LYS HG3 . . 4.013 2.695 2.293 2.993 . 0 0 "[ . 1 . 2]" 1
136 1 13 LYS HA 1 14 LEU H . . 3.518 3.358 3.259 3.400 . 0 0 "[ . 1 . 2]" 1
137 1 13 LYS HA 1 16 LYS H . . 3.929 3.473 3.236 3.681 . 0 0 "[ . 1 . 2]" 1
138 1 13 LYS HA 1 16 LYS QB . . 3.452 2.972 2.069 3.439 . 0 0 "[ . 1 . 2]" 1
139 1 13 LYS QB 1 13 LYS QE . . 3.290 3.171 2.069 3.616 0.326 5 0 "[ . 1 . 2]" 1
140 1 13 LYS QB 1 14 LEU H . . 3.290 3.330 3.247 3.533 0.243 12 0 "[ . 1 . 2]" 1
141 1 13 LYS QB 1 14 LEU QD . . 4.754 3.015 2.894 3.116 . 0 0 "[ . 1 . 2]" 1
142 1 13 LYS QB 1 16 LYS H . . 4.089 5.087 4.942 5.240 1.151 5 20 [****+*******-*******] 1
143 1 14 LEU H 1 14 LEU QB . . 3.006 2.823 2.773 2.939 . 0 0 "[ . 1 . 2]" 1
144 1 14 LEU H 1 14 LEU QD . . 4.295 1.339 1.269 1.455 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU H 1 14 LEU HG . . 3.370 3.342 3.226 3.478 0.108 3 0 "[ . 1 . 2]" 1
146 1 14 LEU H 1 15 LEU H . . 3.047 2.249 2.005 2.382 . 0 0 "[ . 1 . 2]" 1
147 1 14 LEU H 1 15 LEU QD . . 5.218 4.030 3.424 4.946 . 0 0 "[ . 1 . 2]" 1
148 1 14 LEU H 1 16 LYS H . . 4.173 3.542 3.201 3.862 . 0 0 "[ . 1 . 2]" 1
149 1 14 LEU H 1 17 LYS H . . 4.622 5.743 4.799 6.363 1.741 8 18 "[*******+ ****** **-*]" 1
150 1 14 LEU HA 1 14 LEU QD . . 3.445 2.866 2.833 2.901 . 0 0 "[ . 1 . 2]" 1
151 1 14 LEU QD 1 15 LEU H . . 4.099 1.110 0.991 1.240 . 0 0 "[ . 1 . 2]" 1
152 1 14 LEU QD 1 18 TRP HD1 . . 4.295 4.203 3.758 4.612 0.317 6 0 "[ . 1 . 2]" 1
153 1 14 LEU QD 1 18 TRP HE1 . . 4.940 2.760 2.023 4.509 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU QD 1 18 TRP HZ2 . . 5.068 3.085 1.605 5.346 0.278 19 0 "[ . 1 . 2]" 1
155 1 15 LEU H 1 15 LEU HA . . 2.772 2.891 2.793 2.969 0.197 8 0 "[ . 1 . 2]" 1
156 1 15 LEU H 1 15 LEU QB . . 2.778 2.197 2.050 2.890 0.112 19 0 "[ . 1 . 2]" 1
157 1 15 LEU H 1 15 LEU QD . . 4.146 2.605 2.059 3.530 . 0 0 "[ . 1 . 2]" 1
158 1 15 LEU H 1 15 LEU HG . . 2.858 3.325 1.691 3.788 0.930 6 11 "[** **+* -* ** *]" 1
159 1 15 LEU H 1 16 LYS H . . 2.963 2.452 2.067 2.747 . 0 0 "[ . 1 . 2]" 1
160 1 15 LEU H 1 16 LYS QE . . 4.184 4.631 4.238 4.996 0.812 12 9 "[* **. * 1 +* . * *-]" 1
161 1 15 LEU H 1 17 LYS H . . 4.269 4.854 4.072 5.360 1.091 8 16 "[*******+ -** ** ** *]" 1
162 1 15 LEU HA 1 15 LEU QD . . 3.506 2.023 1.275 3.176 . 0 0 "[ . 1 . 2]" 1
163 1 15 LEU HA 1 16 LYS H . . 3.413 3.431 3.308 3.545 0.132 5 0 "[ . 1 . 2]" 1
164 1 15 LEU HA 1 18 TRP QB . . 3.921 3.919 2.957 4.444 0.523 16 2 "[ . -1 .+ 2]" 1
165 1 15 LEU HA 1 18 TRP HD1 . . 4.050 2.729 1.847 4.228 0.178 13 0 "[ . 1 . 2]" 1
166 1 15 LEU QB 1 16 LYS H . . 3.801 3.297 2.865 3.701 . 0 0 "[ . 1 . 2]" 1
167 1 15 LEU QD 1 16 LYS H . . 5.085 3.452 1.480 4.199 . 0 0 "[ . 1 . 2]" 1
168 1 15 LEU QD 1 18 TRP HD1 . . 4.225 1.961 1.571 2.874 . 0 0 "[ . 1 . 2]" 1
169 1 15 LEU QD 1 18 TRP HE3 . . 4.707 4.852 4.050 5.145 0.438 14 0 "[ . 1 . 2]" 1
170 1 15 LEU QD 1 18 TRP HZ2 . . 5.198 3.332 1.827 5.036 . 0 0 "[ . 1 . 2]" 1
171 1 16 LYS H 1 16 LYS HA . . 3.109 2.760 2.648 2.977 . 0 0 "[ . 1 . 2]" 1
172 1 16 LYS H 1 16 LYS QB . . 2.680 2.324 2.033 2.941 0.261 12 0 "[ . 1 . 2]" 1
173 1 16 LYS H 1 16 LYS QG . . 4.022 3.317 1.518 4.008 . 0 0 "[ . 1 . 2]" 1
174 1 16 LYS H 1 17 LYS H . . 3.042 3.009 2.286 3.529 0.487 12 0 "[ . 1 . 2]" 1
175 1 16 LYS H 1 18 TRP H . . 3.884 3.891 2.882 4.141 0.257 3 0 "[ . 1 . 2]" 1
176 1 16 LYS H 1 19 LYS H . . 4.394 4.394 3.822 6.264 1.870 9 4 "[ . +1 - .* *2]" 1
177 1 16 LYS HA 1 16 LYS QD . . 3.794 3.503 1.842 3.834 0.040 1 0 "[ . 1 . 2]" 1
178 1 16 LYS HA 1 16 LYS QG . . 3.978 2.888 2.696 3.283 . 0 0 "[ . 1 . 2]" 1
179 1 16 LYS HA 1 17 LYS H . . 3.486 3.594 3.473 3.616 0.130 3 0 "[ . 1 . 2]" 1
180 1 16 LYS HA 1 17 LYS HA . . 4.441 4.831 4.669 4.914 0.473 2 0 "[ . 1 . 2]" 1
181 1 16 LYS HA 1 17 LYS QB . . 3.914 5.226 5.196 5.312 1.398 16 20 [*-*************+****] 1
182 1 16 LYS HA 1 18 TRP H . . 4.031 3.859 3.609 4.075 0.044 12 0 "[ . 1 . 2]" 1
183 1 16 LYS HA 1 18 TRP HD1 . . 4.582 6.158 5.927 6.558 1.976 9 20 [********+*********-*] 1
184 1 16 LYS QB 1 17 LYS H . . 3.266 2.548 1.942 3.393 0.127 19 0 "[ . 1 . 2]" 1
185 1 16 LYS QB 1 18 TRP H . . 3.745 4.431 4.086 4.799 1.054 13 15 "[***-*** ** +** ***]" 1
186 1 16 LYS QB 1 18 TRP HE3 . . 4.563 6.023 5.079 6.365 1.802 10 20 [*********+**-*******] 1
187 1 16 LYS QD 1 18 TRP H . . 3.733 3.725 3.095 4.566 0.833 16 2 "[ . -1 .+ 2]" 1
188 1 16 LYS QD 1 18 TRP HE3 . . 4.642 4.739 4.579 4.905 0.263 9 0 "[ . 1 . 2]" 1
189 1 16 LYS QD 1 18 TRP HZ3 . . 4.508 4.667 4.375 4.859 0.351 5 0 "[ . 1 . 2]" 1
190 1 17 LYS H 1 17 LYS HA . . 3.060 2.795 2.728 2.945 . 0 0 "[ . 1 . 2]" 1
191 1 17 LYS H 1 17 LYS QB . . 2.898 2.228 2.124 2.510 . 0 0 "[ . 1 . 2]" 1
192 1 17 LYS H 1 17 LYS QG . . 4.140 3.558 2.157 3.923 . 0 0 "[ . 1 . 2]" 1
193 1 17 LYS H 1 18 TRP H . . 3.041 2.723 2.267 2.885 . 0 0 "[ . 1 . 2]" 1
194 1 17 LYS H 1 19 LYS H . . 4.336 3.977 3.756 5.039 0.703 9 2 "[ . +1 .- 2]" 1
195 1 17 LYS H 1 20 MET H . . 4.208 4.888 4.631 5.025 0.817 18 18 "[*-**. ***********+**]" 1
196 1 17 LYS HA 1 17 LYS QG . . 3.929 2.898 2.773 3.288 . 0 0 "[ . 1 . 2]" 1
197 1 17 LYS HA 1 18 TRP H . . 3.121 3.494 3.371 3.555 0.434 3 0 "[ . 1 . 2]" 1
198 1 17 LYS HA 1 18 TRP HE3 . . 4.119 4.123 3.400 5.395 1.276 16 2 "[ . -1 .+ 2]" 1
199 1 17 LYS HA 1 19 LYS H . . 3.710 4.208 3.361 4.439 0.729 7 16 "[******+* 1-** * ****]" 1
200 1 17 LYS HA 1 20 MET QB . . 4.394 3.471 2.236 5.070 0.676 9 1 "[ . +1 . 2]" 1
201 1 17 LYS QB 1 17 LYS QE . . 3.119 2.856 1.628 3.622 0.503 5 2 "[ + 1- . 2]" 1
202 1 17 LYS QB 1 18 TRP H . . 3.180 3.142 2.834 3.783 0.603 9 4 "[ . +1 - .* *2]" 1
203 1 17 LYS QB 1 19 LYS H . . 3.656 4.599 4.121 5.399 1.743 19 19 "[********-****** **+*]" 1
204 1 17 LYS QG 1 18 TRP HD1 . . 4.730 5.920 5.282 6.067 1.337 4 20 [***+***********-****] 1
205 1 18 TRP H 1 18 TRP QB . . 3.117 3.003 2.569 3.156 0.039 6 0 "[ . 1 . 2]" 1
206 1 18 TRP H 1 18 TRP HD1 . . 3.579 3.948 3.794 4.432 0.853 13 2 "[ . 1 + . -2]" 1
207 1 18 TRP H 1 18 TRP HE3 . . 4.269 2.995 2.087 4.142 . 0 0 "[ . 1 . 2]" 1
208 1 18 TRP HA 1 18 TRP HD1 . . 3.208 4.579 2.363 4.975 1.767 13 18 "[*****-** ***+** ****]" 1
209 1 18 TRP HA 1 18 TRP HE3 . . 3.929 3.680 3.387 5.046 1.117 16 2 "[ . -1 .+ 2]" 1
210 1 18 TRP HA 1 19 LYS H . . 3.129 3.449 3.389 3.599 0.470 9 0 "[ . 1 . 2]" 1
211 1 18 TRP QB 1 18 TRP HD1 . . 3.621 2.532 2.464 2.912 . 0 0 "[ . 1 . 2]" 1
212 1 18 TRP QB 1 18 TRP HE3 . . 3.710 2.906 2.473 3.513 . 0 0 "[ . 1 . 2]" 1
213 1 18 TRP QB 1 19 LYS H . . 3.561 3.488 2.493 3.735 0.174 6 0 "[ . 1 . 2]" 1
214 1 18 TRP HD1 1 19 LYS H . . 4.004 4.403 4.157 5.522 1.518 9 4 "[ . +1 - .* *2]" 1
215 1 18 TRP HD1 1 19 LYS HA . . 4.707 5.155 4.655 6.491 1.784 16 4 "[ . *1 - .+ *2]" 1
216 1 18 TRP HE3 1 19 LYS H . . 4.109 4.405 0.892 4.919 0.810 17 18 "[********-*** ***+* *]" 1
217 1 19 LYS H 1 19 LYS HA . . 3.086 2.949 2.868 2.983 . 0 0 "[ . 1 . 2]" 1
218 1 19 LYS H 1 19 LYS HG3 . . 4.069 4.190 2.903 4.781 0.712 12 5 "[* *.- 1 + . * 2]" 1
219 1 19 LYS H 1 20 MET H . . 2.754 2.325 2.089 2.715 . 0 0 "[ . 1 . 2]" 1
220 1 19 LYS HA 1 19 LYS HG3 . . 4.269 2.834 2.054 3.622 . 0 0 "[ . 1 . 2]" 1
221 1 19 LYS HA 1 20 MET H . . 3.131 3.300 3.146 3.367 0.236 18 0 "[ . 1 . 2]" 1
222 1 19 LYS HA 1 22 ARG QB . . 3.498 3.658 1.996 4.250 0.752 16 1 "[ . 1 .+ 2]" 1
223 1 19 LYS HB3 1 20 MET H . . 3.841 3.759 3.565 4.336 0.495 7 0 "[ . 1 . 2]" 1
224 1 20 MET H 1 20 MET QB . . 3.178 2.228 2.000 2.541 . 0 0 "[ . 1 . 2]" 1
225 1 20 MET H 1 20 MET ME . . 4.642 3.510 1.793 4.072 . 0 0 "[ . 1 . 2]" 1
226 1 20 MET H 1 20 MET HG2 . . 4.119 3.494 2.396 4.614 0.495 4 0 "[ . 1 . 2]" 1
227 1 20 MET H 1 20 MET HG3 . . 4.151 4.029 2.134 4.506 0.355 16 0 "[ . 1 . 2]" 1
228 1 20 MET HA 1 20 MET ME . . 4.099 2.645 1.790 3.792 . 0 0 "[ . 1 . 2]" 1
229 1 20 MET HA 1 20 MET HG3 . . 3.987 3.242 2.163 4.190 0.203 17 0 "[ . 1 . 2]" 1
230 1 20 MET HA 1 21 ARG H . . 2.838 2.383 2.170 2.914 0.076 1 0 "[ . 1 . 2]" 1
231 1 20 MET QB 1 21 ARG H . . 4.013 2.818 1.789 3.679 . 0 0 "[ . 1 . 2]" 1
232 1 21 ARG H 1 21 ARG QB . . 2.856 2.937 1.996 3.121 0.265 6 0 "[ . 1 . 2]" 1
233 1 21 ARG H 1 21 ARG QG . . 3.757 3.872 3.531 4.108 0.351 6 0 "[ . 1 . 2]" 1
234 1 21 ARG H 1 22 ARG H . . 3.301 2.627 2.291 2.836 . 0 0 "[ . 1 . 2]" 1
235 1 21 ARG HA 1 21 ARG QD . . 3.937 3.781 3.375 4.027 0.090 8 0 "[ . 1 . 2]" 1
236 1 21 ARG HA 1 21 ARG QG . . 3.459 2.071 1.981 2.280 . 0 0 "[ . 1 . 2]" 1
237 1 21 ARG HA 1 22 ARG H . . 2.623 3.209 3.049 3.344 0.721 5 17 "[****+ ********. -***]" 1
238 1 21 ARG HA 1 23 ASN H . . 2.734 3.916 3.865 3.982 1.248 15 20 [******-*******+*****] 1
239 1 21 ARG QB 1 22 ARG H . . 3.467 3.553 3.344 3.740 0.273 15 0 "[ . 1 . 2]" 1
240 1 21 ARG QB 1 22 ARG HE . . 4.022 3.544 2.130 4.370 0.348 16 0 "[ . 1 . 2]" 1
241 1 21 ARG QG 1 22 ARG H . . 4.109 4.521 4.395 4.633 0.524 1 1 "[+ . 1 . 2]" 1
242 1 21 ARG QG 1 23 ASN H . . 4.162 4.304 3.916 4.561 0.399 1 0 "[ . 1 . 2]" 1
243 1 22 ARG H 1 22 ARG HA . . 3.024 2.947 2.917 2.967 . 0 0 "[ . 1 . 2]" 1
244 1 22 ARG H 1 22 ARG QB . . 3.327 2.353 2.131 2.982 . 0 0 "[ . 1 . 2]" 1
245 1 22 ARG H 1 22 ARG HG3 . . 3.733 3.637 1.593 4.448 0.715 14 4 "[ * - *1 +. 2]" 1
246 1 22 ARG H 1 23 ASN QB . . 3.953 4.423 3.949 4.692 0.739 6 10 "[*-**.+ 1* * .* **2]" 1
247 1 22 ARG HA 1 22 ARG HD3 . . 4.244 3.350 1.877 5.054 0.810 16 2 "[ . 1 -+ 2]" 1
248 1 22 ARG HA 1 22 ARG HG3 . . 3.855 3.159 2.039 4.250 0.395 18 0 "[ . 1 . 2]" 1
249 1 22 ARG HA 1 23 ASN H . . 2.762 2.531 2.506 2.545 . 0 0 "[ . 1 . 2]" 1
250 1 22 ARG QB 1 22 ARG HE . . 4.295 3.473 3.017 3.918 . 0 0 "[ . 1 . 2]" 1
251 1 22 ARG QB 1 23 ASN H . . 3.794 3.969 3.946 4.052 0.258 18 0 "[ . 1 . 2]" 1
252 1 22 ARG HE 1 22 ARG HG3 . . 3.862 3.162 2.092 4.074 0.212 18 0 "[ . 1 . 2]" 1
253 1 23 ASN H 1 23 ASN HA . . 3.113 2.961 2.829 2.983 . 0 0 "[ . 1 . 2]" 1
254 1 23 ASN H 1 23 ASN QB . . 2.799 2.382 2.175 2.974 0.175 5 0 "[ . 1 . 2]" 1
255 1 23 ASN H 1 24 GLN H . . 3.185 3.127 1.537 3.920 0.735 15 2 "[ . - + 2]" 1
256 1 23 ASN HA 1 23 ASN QB . . 2.711 2.363 2.283 2.532 . 0 0 "[ . 1 . 2]" 1
257 1 23 ASN HA 1 24 GLN H . . 3.002 3.448 3.156 3.599 0.597 18 6 "[- ** 1 * . +*2]" 1
258 1 23 ASN QB 1 24 GLN H . . 3.312 2.008 1.739 3.254 . 0 0 "[ . 1 . 2]" 1
259 1 23 ASN QB 1 26 TRP HD1 . . 4.394 3.347 1.698 5.163 0.769 14 2 "[ . 1 +. -]" 1
260 1 24 GLN H 1 24 GLN QB . . 2.979 2.617 2.101 2.869 . 0 0 "[ . 1 . 2]" 1
261 1 24 GLN H 1 24 GLN QG . . 3.727 3.764 2.586 4.158 0.431 4 0 "[ . 1 . 2]" 1
262 1 24 GLN H 1 25 PHE H . . 3.143 2.615 1.570 3.520 0.377 7 0 "[ . 1 . 2]" 1
263 1 24 GLN HA 1 24 GLN QG . . 3.579 2.077 1.901 2.553 . 0 0 "[ . 1 . 2]" 1
264 1 24 GLN HA 1 27 VAL H . . 4.563 4.693 4.029 4.966 0.403 7 0 "[ . 1 . 2]" 1
265 1 24 GLN HA 1 27 VAL HB . . 4.474 4.624 3.577 4.918 0.444 8 0 "[ . 1 . 2]" 1
266 1 24 GLN QB 1 25 PHE H . . 3.579 2.206 1.738 3.009 . 0 0 "[ . 1 . 2]" 1
267 1 24 GLN QB 1 26 TRP HH2 . . 4.365 4.677 4.135 5.006 0.641 5 1 "[ + 1 . 2]" 1
268 1 25 PHE H 1 25 PHE QB . . 3.282 2.390 2.143 2.935 . 0 0 "[ . 1 . 2]" 1
269 1 25 PHE H 1 25 PHE HD1 . . 3.616 3.375 1.724 4.248 0.632 11 6 "[ * - * 1+ .** 2]" 1
270 1 25 PHE H 1 26 TRP H . . 3.180 2.438 2.083 3.194 0.014 14 0 "[ . 1 . 2]" 1
271 1 25 PHE HA 1 25 PHE HD1 . . 3.522 3.777 3.395 4.178 0.656 15 2 "[ . - + 2]" 1
272 1 25 PHE HA 1 26 TRP H . . 3.171 3.534 3.422 3.613 0.442 14 0 "[ . 1 . 2]" 1
273 1 25 PHE QB 1 25 PHE HD1 . . 3.258 2.701 2.552 3.089 . 0 0 "[ . 1 . 2]" 1
274 1 25 PHE QB 1 26 TRP H . . 3.953 2.947 2.610 3.517 . 0 0 "[ . 1 . 2]" 1
275 1 25 PHE HD1 1 26 TRP H . . 4.322 2.702 1.573 3.610 . 0 0 "[ . 1 . 2]" 1
276 1 25 PHE QE 1 26 TRP HE3 . . 3.794 4.132 3.738 4.929 1.135 20 2 "[ . 1 -. +]" 1
277 1 26 TRP H 1 26 TRP QB . . 3.413 2.782 2.388 2.940 . 0 0 "[ . 1 . 2]" 1
278 1 26 TRP H 1 26 TRP HD1 . . 3.565 4.144 3.378 4.753 1.188 18 15 "[* *** ****** *-*+*2]" 1
279 1 26 TRP H 1 26 TRP HE3 . . 4.069 2.540 1.851 3.458 . 0 0 "[ . 1 . 2]" 1
280 1 26 TRP H 1 27 VAL H . . 3.445 2.982 2.641 3.456 0.011 12 0 "[ . 1 . 2]" 1
281 1 26 TRP HA 1 26 TRP HD1 . . 3.937 4.444 3.309 4.884 0.947 7 16 "[******+* 1*-**.** **]" 1
282 1 26 TRP HA 1 26 TRP HE3 . . 3.721 3.752 2.136 4.435 0.714 10 5 "[ . *+ * * - 2]" 1
283 1 26 TRP HA 1 27 VAL H . . 3.242 3.024 2.542 3.524 0.282 10 0 "[ . 1 . 2]" 1
284 1 26 TRP QB 1 26 TRP HD1 . . 3.498 2.531 2.457 2.576 . 0 0 "[ . 1 . 2]" 1
285 1 26 TRP QB 1 26 TRP HE3 . . 3.383 2.904 2.654 3.467 0.084 11 0 "[ . 1 . 2]" 1
286 1 26 TRP QB 1 27 VAL H . . 4.256 3.699 2.821 4.054 . 0 0 "[ . 1 . 2]" 1
287 1 26 TRP HE3 1 27 VAL QG . . 5.140 4.952 1.733 5.864 0.724 11 1 "[ . 1+ . 2]" 1
288 1 26 TRP HE3 1 29 VAL QG . . 5.103 4.783 3.296 5.433 0.330 12 0 "[ . 1 . 2]" 1
289 1 27 VAL H 1 27 VAL HB . . 3.386 3.028 2.044 3.772 0.386 12 0 "[ . 1 . 2]" 1
290 1 27 VAL H 1 27 VAL QG . . 3.666 2.164 1.664 2.931 . 0 0 "[ . 1 . 2]" 1
291 1 27 VAL H 1 28 LYS H . . 3.682 3.548 2.651 4.370 0.688 7 2 "[ . + 1 .- 2]" 1
292 1 27 VAL HA 1 28 LYS H . . 2.676 2.956 2.270 3.376 0.700 17 9 "[ * * *1** *- +* 2]" 1
293 1 27 VAL HA 1 28 LYS HA . . 4.295 4.449 4.337 4.777 0.482 7 0 "[ . 1 . 2]" 1
294 1 27 VAL HA 1 29 VAL H . . 4.282 4.226 3.264 4.408 0.126 4 0 "[ . 1 . 2]" 1
295 1 27 VAL HB 1 28 LYS H . . 3.834 3.309 1.623 4.427 0.593 13 2 "[ . - 1 + . 2]" 1
296 1 27 VAL QG 1 28 LYS H . . 4.238 2.867 1.537 3.764 . 0 0 "[ . 1 . 2]" 1
297 1 27 VAL QG 1 28 LYS HA . . 4.940 4.032 3.078 4.937 . 0 0 "[ . 1 . 2]" 1
298 1 27 VAL QG 1 28 LYS QB . . 3.769 3.084 2.381 3.590 . 0 0 "[ . 1 . 2]" 1
299 1 28 LYS H 1 28 LYS QB . . 3.459 2.722 2.133 3.254 . 0 0 "[ . 1 . 2]" 1
300 1 28 LYS H 1 29 VAL H . . 3.203 2.712 1.907 3.301 0.098 2 0 "[ . 1 . 2]" 1
301 1 28 LYS HA 1 28 LYS QE . . 4.441 4.244 3.403 4.661 0.220 10 0 "[ . 1 . 2]" 1
302 1 28 LYS HA 1 29 VAL H . . 2.797 2.776 2.580 2.910 0.113 6 0 "[ . 1 . 2]" 1
303 1 28 LYS HA 1 30 GLN H . . 4.119 3.510 3.056 4.217 0.098 14 0 "[ . 1 . 2]" 1
304 1 28 LYS QB 1 30 GLN H . . 4.295 4.242 3.706 4.798 0.503 7 1 "[ . + 1 . 2]" 1
305 1 29 VAL H 1 29 VAL HB . . 3.427 2.892 2.400 3.616 0.189 20 0 "[ . 1 . 2]" 1
306 1 29 VAL H 1 29 VAL QG . . 3.766 2.251 1.758 2.994 . 0 0 "[ . 1 . 2]" 1
307 1 29 VAL H 1 30 GLN H . . 3.677 3.075 2.280 3.818 0.141 9 0 "[ . 1 . 2]" 1
308 1 29 VAL HA 1 30 GLN H . . 2.834 2.808 2.440 3.008 0.174 7 0 "[ . 1 . 2]" 1
309 1 29 VAL HB 1 30 GLN H . . 4.013 4.175 4.092 4.335 0.322 9 0 "[ . 1 . 2]" 1
310 1 29 VAL QG 1 30 GLN H . . 4.466 3.734 3.700 3.758 . 0 0 "[ . 1 . 2]" 1
311 1 30 GLN H 1 30 GLN HA . . 2.873 2.774 2.288 2.963 0.090 19 0 "[ . 1 . 2]" 1
312 1 30 GLN H 1 30 GLN HB2 . . 3.978 3.085 2.052 3.964 . 0 0 "[ . 1 . 2]" 1
313 1 30 GLN H 1 30 GLN HB3 . . 3.769 3.298 2.547 4.003 0.234 9 0 "[ . 1 . 2]" 1
314 1 30 GLN H 1 30 GLN HG3 . . 4.269 4.140 2.334 5.131 0.862 17 8 "[* .** ** -* . + 2]" 1
315 1 30 GLN HA 1 30 GLN HG3 . . 4.059 2.923 1.941 3.668 . 0 0 "[ . 1 . 2]" 1
316 1 31 ARG H 1 31 ARG HB3 . . 4.256 3.337 2.592 4.097 . 0 0 "[ . 1 . 2]" 1
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