NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463449 |
2rlk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rlk
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 359
_Distance_constraint_stats_list.Viol_count 436
_Distance_constraint_stats_list.Viol_total 2095.862
_Distance_constraint_stats_list.Viol_max 1.228
_Distance_constraint_stats_list.Viol_rms 0.0779
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0146
_Distance_constraint_stats_list.Viol_average_violations_only 0.2404
_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 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LYS 0.662 0.513 5 1 "[ + 1 . 2]"
1 5 PRO 10.045 0.979 9 7 "[ * - +1 **. * *]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.667 0.195 15 0 "[ . 1 . 2]"
1 8 PRO 26.995 0.762 15 5 "[* * - 1 *+ 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.197 0.119 5 0 "[ . 1 . 2]"
1 11 ASP 0.337 0.119 5 0 "[ . 1 . 2]"
1 12 ALA 7.740 0.575 8 1 "[ . + 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 1.030 0.405 13 0 "[ . 1 . 2]"
1 17 LEU 38.878 1.228 15 14 "[*-* * ***1****+ * *]"
1 18 SER 1.762 0.233 5 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 TYR 39.175 1.228 15 13 "[*-* * ***1 ***+ * *]"
1 21 TYR 21.064 0.751 3 8 "[ *+ . * *1- * . * *]"
1 22 ALA 7.787 0.909 2 8 "[ +* * - * *** 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 8.475 1.129 9 5 "[ - . +1 **. * 2]"
1 25 ARG 9.264 1.129 9 9 "[ ** * +- * *** 2]"
1 26 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 3.480 0.520 20 1 "[ . 1 . +]"
1 28 LEU 1.725 0.551 16 1 "[ . 1 .+ 2]"
1 29 ASN 0.897 0.181 8 0 "[ . 1 . 2]"
1 30 LEU 4.047 0.373 2 0 "[ . 1 . 2]"
1 31 VAL 9.326 0.618 17 2 "[ . 1 . + -]"
1 32 THR 10.678 0.618 17 3 "[ . 1 .*+ -]"
1 33 ARG 2.782 0.359 14 0 "[ . 1 . 2]"
1 34 GLN 0.732 0.157 19 0 "[ . 1 . 2]"
1 35 ARG 1.210 0.226 18 0 "[ . 1 . 2]"
1 36 TYR 0.416 0.226 18 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 TYR HA 1 1 TYR QD . . 4.510 3.769 3.709 3.796 . 0 0 "[ . 1 . 2]" 1
2 1 1 TYR HA 1 2 PRO QB . . 5.150 4.336 4.292 4.369 . 0 0 "[ . 1 . 2]" 1
3 1 1 TYR HA 1 2 PRO HD2 . . 3.620 2.609 2.564 2.694 . 0 0 "[ . 1 . 2]" 1
4 1 1 TYR HA 1 2 PRO QD . . 2.950 2.003 1.953 2.123 . 0 0 "[ . 1 . 2]" 1
5 1 1 TYR HA 1 2 PRO HD3 . . 3.620 2.082 2.023 2.251 . 0 0 "[ . 1 . 2]" 1
6 1 1 TYR HA 1 2 PRO QG . . 4.540 4.010 3.973 4.056 . 0 0 "[ . 1 . 2]" 1
7 1 1 TYR HA 1 3 ALA H . . 5.500 3.921 3.797 4.090 . 0 0 "[ . 1 . 2]" 1
8 1 1 TYR QB 1 2 PRO QD . . 3.000 1.996 1.977 2.024 . 0 0 "[ . 1 . 2]" 1
9 1 1 TYR QB 1 3 ALA MB . . 4.340 3.832 2.732 4.110 . 0 0 "[ . 1 . 2]" 1
10 1 2 PRO HA 1 3 ALA H . . 3.530 3.385 3.321 3.454 . 0 0 "[ . 1 . 2]" 1
11 1 2 PRO HA 1 3 ALA HA . . 5.460 5.177 4.735 5.289 . 0 0 "[ . 1 . 2]" 1
12 1 2 PRO HA 1 3 ALA MB . . 5.230 4.011 3.817 4.932 . 0 0 "[ . 1 . 2]" 1
13 1 2 PRO QD 1 3 ALA H . . 4.920 2.456 2.372 2.649 . 0 0 "[ . 1 . 2]" 1
14 1 3 ALA H 1 3 ALA MB . . 3.430 2.661 2.020 2.794 . 0 0 "[ . 1 . 2]" 1
15 1 3 ALA HA 1 4 LYS H . . 3.240 2.842 2.376 2.993 . 0 0 "[ . 1 . 2]" 1
16 1 3 ALA MB 1 4 LYS H . . 4.220 3.550 2.574 3.751 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS HA 1 27 TYR QD . . 5.500 3.930 3.421 4.438 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS HA 1 27 TYR QE . . 5.500 4.776 3.943 5.649 0.149 20 0 "[ . 1 . 2]" 1
19 1 4 LYS QB 1 5 PRO HD2 . . 5.090 2.841 1.974 4.248 . 0 0 "[ . 1 . 2]" 1
20 1 4 LYS QD 1 24 LEU QD . . 3.530 2.442 1.910 3.358 . 0 0 "[ . 1 . 2]" 1
21 1 4 LYS QE 1 24 LEU QD . . 4.510 2.979 1.871 4.410 . 0 0 "[ . 1 . 2]" 1
22 1 4 LYS QG 1 24 LEU QD . . 4.200 3.379 2.563 4.101 . 0 0 "[ . 1 . 2]" 1
23 1 4 LYS HG2 1 5 PRO HD2 . . 4.960 3.007 2.148 4.875 . 0 0 "[ . 1 . 2]" 1
24 1 4 LYS HG3 1 5 PRO HD2 . . 4.960 3.355 2.147 5.473 0.513 5 1 "[ + 1 . 2]" 1
25 1 5 PRO HA 1 6 GLU H . . 2.910 2.212 2.165 2.284 . 0 0 "[ . 1 . 2]" 1
26 1 5 PRO HA 1 6 GLU HA . . 4.570 4.262 4.197 4.298 . 0 0 "[ . 1 . 2]" 1
27 1 5 PRO HA 1 20 TYR QE . . 5.460 4.959 4.818 5.174 . 0 0 "[ . 1 . 2]" 1
28 1 5 PRO QB 1 20 TYR QD . . 4.460 3.124 2.447 4.434 . 0 0 "[ . 1 . 2]" 1
29 1 5 PRO QB 1 20 TYR QE . . 3.090 3.151 3.009 3.249 0.159 11 0 "[ . 1 . 2]" 1
30 1 5 PRO QB 1 23 SER QB . . 4.570 3.920 3.042 4.545 . 0 0 "[ . 1 . 2]" 1
31 1 5 PRO HD2 1 24 LEU HB2 . . 5.500 5.546 4.898 6.479 0.979 9 1 "[ . +1 . 2]" 1
32 1 5 PRO HD2 1 24 LEU QD . . 4.800 3.933 2.833 4.879 0.079 13 0 "[ . 1 . 2]" 1
33 1 5 PRO HD3 1 24 LEU QD . . 5.440 5.276 4.176 6.136 0.696 17 4 "[ - . 1 **. + 2]" 1
34 1 5 PRO HD3 1 27 TYR QD . . 5.500 5.246 4.508 6.020 0.520 20 1 "[ . 1 . +]" 1
35 1 5 PRO QG 1 20 TYR QE . . 4.080 3.111 2.404 4.114 0.034 8 0 "[ . 1 . 2]" 1
36 1 5 PRO QG 1 23 SER QB . . 4.260 2.481 1.940 3.055 . 0 0 "[ . 1 . 2]" 1
37 1 5 PRO QG 1 24 LEU HA . . 4.430 3.678 2.753 4.309 . 0 0 "[ . 1 . 2]" 1
38 1 6 GLU H 1 6 GLU HB2 . . 3.780 2.375 2.233 2.573 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLU H 1 6 GLU QB . . 3.140 2.306 2.175 2.482 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLU H 1 6 GLU HB3 . . 3.780 3.352 2.435 3.634 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLU H 1 6 GLU QG . . 4.590 2.990 2.183 4.085 . 0 0 "[ . 1 . 2]" 1
42 1 6 GLU HA 1 6 GLU QG . . 3.600 2.589 2.312 3.036 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLU HA 1 7 ALA H . . 2.970 2.447 2.339 2.545 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLU QB 1 7 ALA H . . 4.010 2.853 2.436 3.564 . 0 0 "[ . 1 . 2]" 1
45 1 7 ALA H 1 7 ALA MB . . 3.320 2.161 2.033 2.233 . 0 0 "[ . 1 . 2]" 1
46 1 7 ALA HA 1 8 PRO HD2 . . 3.600 2.379 2.300 2.585 . 0 0 "[ . 1 . 2]" 1
47 1 7 ALA HA 1 8 PRO HD3 . . 3.600 2.500 2.372 2.566 . 0 0 "[ . 1 . 2]" 1
48 1 7 ALA HA 1 8 PRO QG . . 5.220 4.071 4.008 4.183 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA HA 1 20 TYR QE . . 4.170 2.764 2.670 2.924 . 0 0 "[ . 1 . 2]" 1
50 1 7 ALA MB 1 8 PRO QD . . 3.260 2.536 2.412 2.722 . 0 0 "[ . 1 . 2]" 1
51 1 7 ALA MB 1 20 TYR QE . . 4.210 3.843 3.419 4.405 0.195 15 0 "[ . 1 . 2]" 1
52 1 8 PRO HA 1 9 GLY H . . 3.010 2.536 2.462 2.590 . 0 0 "[ . 1 . 2]" 1
53 1 8 PRO HA 1 12 ALA MB . . 4.640 4.165 3.920 4.457 . 0 0 "[ . 1 . 2]" 1
54 1 8 PRO QB 1 12 ALA MB . . 3.310 2.451 2.338 2.679 . 0 0 "[ . 1 . 2]" 1
55 1 8 PRO QB 1 17 LEU QD . . 4.240 2.338 2.010 2.679 . 0 0 "[ . 1 . 2]" 1
56 1 8 PRO QB 1 20 TYR HB3 . . 5.040 3.647 3.279 3.810 . 0 0 "[ . 1 . 2]" 1
57 1 8 PRO HB2 1 12 ALA MB . . 3.810 2.491 2.366 2.749 . 0 0 "[ . 1 . 2]" 1
58 1 8 PRO HB3 1 12 ALA MB . . 3.810 3.671 3.550 3.827 0.017 1 0 "[ . 1 . 2]" 1
59 1 8 PRO QD 1 17 LEU QD . . 4.760 3.283 3.083 3.450 . 0 0 "[ . 1 . 2]" 1
60 1 8 PRO QD 1 20 TYR QD . . 3.100 2.658 1.952 2.929 . 0 0 "[ . 1 . 2]" 1
61 1 8 PRO QD 1 20 TYR QE . . 2.710 2.784 2.097 3.093 0.383 13 0 "[ . 1 . 2]" 1
62 1 8 PRO HD2 1 20 TYR QE . . 3.110 3.415 2.923 3.872 0.762 15 5 "[* * * 1 -+ 2]" 1
63 1 8 PRO HD3 1 20 TYR QE . . 3.110 3.126 2.109 3.561 0.451 18 0 "[ . 1 . 2]" 1
64 1 8 PRO QG 1 9 GLY H . . 4.390 3.923 3.674 4.046 . 0 0 "[ . 1 . 2]" 1
65 1 8 PRO QG 1 12 ALA MB . . 3.410 3.738 3.574 3.985 0.575 8 1 "[ . + 1 . 2]" 1
66 1 8 PRO QG 1 17 LEU MD1 . . 3.970 1.919 1.834 2.192 . 0 0 "[ . 1 . 2]" 1
67 1 8 PRO QG 1 17 LEU QD . . 3.460 1.851 1.800 1.891 . 0 0 "[ . 1 . 2]" 1
68 1 8 PRO QG 1 17 LEU MD2 . . 3.970 2.677 2.014 3.553 . 0 0 "[ . 1 . 2]" 1
69 1 8 PRO QG 1 20 TYR HA . . 5.500 5.745 5.444 5.950 0.450 10 0 "[ . 1 . 2]" 1
70 1 8 PRO QG 1 20 TYR HB3 . . 3.650 3.244 2.854 3.498 . 0 0 "[ . 1 . 2]" 1
71 1 9 GLY H 1 12 ALA MB . . 4.420 2.537 2.202 3.316 . 0 0 "[ . 1 . 2]" 1
72 1 9 GLY QA 1 11 ASP H . . 4.810 3.216 3.018 3.555 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLU H 1 10 GLU QB . . 3.690 2.486 2.098 3.283 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLU H 1 10 GLU QG . . 4.050 3.101 2.029 4.021 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLU H 1 11 ASP H . . 3.970 2.817 2.572 3.105 . 0 0 "[ . 1 . 2]" 1
76 1 10 GLU H 1 12 ALA MB . . 5.360 4.376 2.999 5.239 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLU HA 1 11 ASP HA . . 5.350 4.727 4.602 4.922 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLU QB 1 11 ASP H . . 4.720 3.287 2.789 4.084 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLU QB 1 11 ASP QB . . 4.630 4.202 3.583 4.749 0.119 5 0 "[ . 1 . 2]" 1
80 1 11 ASP H 1 11 ASP QB . . 3.540 2.764 2.356 3.468 . 0 0 "[ . 1 . 2]" 1
81 1 11 ASP H 1 12 ALA H . . 4.490 2.703 2.581 2.922 . 0 0 "[ . 1 . 2]" 1
82 1 11 ASP QB 1 12 ALA MB . . 5.120 4.901 3.872 5.186 0.066 12 0 "[ . 1 . 2]" 1
83 1 12 ALA H 1 12 ALA MB . . 3.330 2.348 2.310 2.385 . 0 0 "[ . 1 . 2]" 1
84 1 12 ALA HA 1 13 SER H . . 3.150 2.295 2.181 2.401 . 0 0 "[ . 1 . 2]" 1
85 1 12 ALA HA 1 13 SER HA . . 5.370 4.430 4.379 4.465 . 0 0 "[ . 1 . 2]" 1
86 1 12 ALA HA 1 16 GLU QB . . 5.240 4.531 4.221 4.786 . 0 0 "[ . 1 . 2]" 1
87 1 12 ALA HA 1 16 GLU QG . . 5.340 4.916 4.076 5.745 0.405 13 0 "[ . 1 . 2]" 1
88 1 12 ALA MB 1 13 SER H . . 3.710 2.870 2.712 3.217 . 0 0 "[ . 1 . 2]" 1
89 1 12 ALA MB 1 16 GLU QB . . 4.560 2.841 2.510 3.364 . 0 0 "[ . 1 . 2]" 1
90 1 12 ALA MB 1 16 GLU HG2 . . 5.500 3.924 2.668 5.443 . 0 0 "[ . 1 . 2]" 1
91 1 12 ALA MB 1 16 GLU QG . . 4.720 3.299 2.601 4.564 . 0 0 "[ . 1 . 2]" 1
92 1 12 ALA MB 1 16 GLU HG3 . . 5.500 3.916 2.729 5.049 . 0 0 "[ . 1 . 2]" 1
93 1 12 ALA MB 1 17 LEU H . . 5.500 4.227 3.961 4.478 . 0 0 "[ . 1 . 2]" 1
94 1 12 ALA MB 1 17 LEU MD1 . . 4.460 3.773 2.961 4.360 . 0 0 "[ . 1 . 2]" 1
95 1 12 ALA MB 1 17 LEU QD . . 3.670 2.179 1.733 2.435 . 0 0 "[ . 1 . 2]" 1
96 1 12 ALA MB 1 17 LEU MD2 . . 4.460 2.195 1.739 2.447 . 0 0 "[ . 1 . 2]" 1
97 1 13 SER H 1 16 GLU QB . . 4.140 3.357 2.690 3.801 . 0 0 "[ . 1 . 2]" 1
98 1 13 SER HA 1 14 PRO HD2 . . 3.390 2.045 1.979 2.188 . 0 0 "[ . 1 . 2]" 1
99 1 13 SER HA 1 14 PRO QD . . 2.940 1.942 1.913 1.980 . 0 0 "[ . 1 . 2]" 1
100 1 13 SER HA 1 14 PRO HD3 . . 3.390 2.445 2.262 2.530 . 0 0 "[ . 1 . 2]" 1
101 1 13 SER HA 1 14 PRO QG . . 5.000 3.871 3.824 3.928 . 0 0 "[ . 1 . 2]" 1
102 1 13 SER HA 1 17 LEU QD . . 4.900 4.147 3.644 4.567 . 0 0 "[ . 1 . 2]" 1
103 1 13 SER QB 1 14 PRO QD . . 3.330 2.461 2.196 2.764 . 0 0 "[ . 1 . 2]" 1
104 1 13 SER QB 1 14 PRO QG . . 5.180 3.599 3.417 3.863 . 0 0 "[ . 1 . 2]" 1
105 1 13 SER QB 1 15 GLU H . . 4.650 3.232 2.880 3.781 . 0 0 "[ . 1 . 2]" 1
106 1 13 SER QB 1 15 GLU QB . . 4.470 3.641 3.317 4.247 . 0 0 "[ . 1 . 2]" 1
107 1 14 PRO HA 1 17 LEU HB2 . . 3.920 2.371 2.081 2.793 . 0 0 "[ . 1 . 2]" 1
108 1 14 PRO HA 1 17 LEU HB3 . . 5.040 3.824 3.131 4.195 . 0 0 "[ . 1 . 2]" 1
109 1 14 PRO HA 1 17 LEU QD . . 3.900 2.770 2.084 3.463 . 0 0 "[ . 1 . 2]" 1
110 1 14 PRO HA 1 17 LEU HG . . 5.360 3.295 2.515 3.516 . 0 0 "[ . 1 . 2]" 1
111 1 14 PRO QB 1 17 LEU QD . . 5.280 4.219 3.762 4.664 . 0 0 "[ . 1 . 2]" 1
112 1 14 PRO HD2 1 15 GLU H . . 5.500 3.506 3.158 3.639 . 0 0 "[ . 1 . 2]" 1
113 1 14 PRO HD3 1 15 GLU H . . 5.500 3.960 3.796 4.040 . 0 0 "[ . 1 . 2]" 1
114 1 14 PRO QG 1 15 GLU H . . 4.200 2.285 2.147 2.464 . 0 0 "[ . 1 . 2]" 1
115 1 15 GLU H 1 15 GLU HB2 . . 3.830 2.296 2.053 2.519 . 0 0 "[ . 1 . 2]" 1
116 1 15 GLU H 1 15 GLU HB3 . . 3.830 2.626 2.362 2.890 . 0 0 "[ . 1 . 2]" 1
117 1 15 GLU H 1 16 GLU H . . 3.680 2.708 2.591 2.763 . 0 0 "[ . 1 . 2]" 1
118 1 15 GLU HA 1 15 GLU HG2 . . 4.190 3.366 2.299 3.778 . 0 0 "[ . 1 . 2]" 1
119 1 15 GLU HA 1 15 GLU QG . . 3.540 2.551 2.193 2.950 . 0 0 "[ . 1 . 2]" 1
120 1 15 GLU HA 1 15 GLU HG3 . . 4.190 2.763 2.251 3.603 . 0 0 "[ . 1 . 2]" 1
121 1 15 GLU QB 1 16 GLU H . . 4.150 2.748 2.254 3.051 . 0 0 "[ . 1 . 2]" 1
122 1 15 GLU QG 1 16 GLU H . . 4.630 4.069 3.683 4.610 . 0 0 "[ . 1 . 2]" 1
123 1 16 GLU H 1 16 GLU HB2 . . 3.710 2.403 2.205 2.562 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLU H 1 16 GLU QB . . 3.250 2.296 2.133 2.514 . 0 0 "[ . 1 . 2]" 1
125 1 16 GLU H 1 16 GLU HB3 . . 3.710 3.061 2.498 3.639 . 0 0 "[ . 1 . 2]" 1
126 1 16 GLU H 1 16 GLU QG . . 4.910 3.398 2.293 4.085 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLU H 1 17 LEU H . . 3.650 2.547 2.348 2.720 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLU HA 1 16 GLU QG . . 3.700 2.628 2.266 3.042 . 0 0 "[ . 1 . 2]" 1
129 1 16 GLU HA 1 17 LEU QD . . 5.440 4.735 4.497 5.016 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLU HA 1 18 SER H . . 5.120 4.428 3.827 4.571 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLU HA 1 19 ARG H . . 4.780 3.645 3.397 4.044 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLU HA 1 19 ARG HD2 . . 4.980 4.341 3.219 4.850 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLU HA 1 19 ARG QD . . 4.260 3.254 2.073 4.194 . 0 0 "[ . 1 . 2]" 1
134 1 16 GLU HA 1 19 ARG HD3 . . 4.980 3.514 2.088 4.971 . 0 0 "[ . 1 . 2]" 1
135 1 16 GLU QB 1 17 LEU H . . 3.730 2.497 2.353 2.705 . 0 0 "[ . 1 . 2]" 1
136 1 16 GLU QB 1 17 LEU QD . . 4.090 2.838 2.553 3.384 . 0 0 "[ . 1 . 2]" 1
137 1 16 GLU HB2 1 17 LEU H . . 4.360 3.235 2.456 3.864 . 0 0 "[ . 1 . 2]" 1
138 1 16 GLU HB3 1 17 LEU H . . 4.360 2.902 2.386 3.681 . 0 0 "[ . 1 . 2]" 1
139 1 17 LEU H 1 17 LEU HB2 . . 3.380 2.077 2.012 2.226 . 0 0 "[ . 1 . 2]" 1
140 1 17 LEU H 1 17 LEU HB3 . . 3.580 3.347 3.257 3.458 . 0 0 "[ . 1 . 2]" 1
141 1 17 LEU H 1 17 LEU MD1 . . 5.020 4.019 3.746 4.181 . 0 0 "[ . 1 . 2]" 1
142 1 17 LEU H 1 17 LEU QD . . 4.300 2.364 2.201 2.694 . 0 0 "[ . 1 . 2]" 1
143 1 17 LEU H 1 17 LEU MD2 . . 5.020 2.382 2.214 2.736 . 0 0 "[ . 1 . 2]" 1
144 1 17 LEU H 1 18 SER H . . 3.870 2.924 2.684 3.056 . 0 0 "[ . 1 . 2]" 1
145 1 17 LEU HA 1 17 LEU MD1 . . 4.010 2.234 2.056 3.535 . 0 0 "[ . 1 . 2]" 1
146 1 17 LEU HA 1 17 LEU QD . . 3.300 1.988 1.933 2.081 . 0 0 "[ . 1 . 2]" 1
147 1 17 LEU HA 1 17 LEU MD2 . . 4.010 2.365 1.973 2.714 . 0 0 "[ . 1 . 2]" 1
148 1 17 LEU HA 1 17 LEU HG . . 4.260 3.687 3.498 3.740 . 0 0 "[ . 1 . 2]" 1
149 1 17 LEU HA 1 19 ARG H . . 5.380 4.792 4.418 5.313 . 0 0 "[ . 1 . 2]" 1
150 1 17 LEU HA 1 20 TYR H . . 4.390 3.751 3.337 4.006 . 0 0 "[ . 1 . 2]" 1
151 1 17 LEU HA 1 20 TYR HB2 . . 3.960 3.824 2.996 4.095 0.135 18 0 "[ . 1 . 2]" 1
152 1 17 LEU HA 1 20 TYR HB3 . . 4.130 2.679 2.524 2.782 . 0 0 "[ . 1 . 2]" 1
153 1 17 LEU HA 1 20 TYR QD . . 4.170 3.940 3.245 4.407 0.237 1 0 "[ . 1 . 2]" 1
154 1 17 LEU HB2 1 18 SER H . . 3.820 3.079 2.958 3.252 . 0 0 "[ . 1 . 2]" 1
155 1 17 LEU HB3 1 18 SER H . . 3.670 3.108 2.787 3.735 0.065 5 0 "[ . 1 . 2]" 1
156 1 17 LEU HB3 1 18 SER HA . . 5.500 4.297 4.114 4.505 . 0 0 "[ . 1 . 2]" 1
157 1 17 LEU HB3 1 20 TYR HB3 . . 4.940 5.079 4.501 5.377 0.437 1 0 "[ . 1 . 2]" 1
158 1 17 LEU HB3 1 21 TYR HB2 . . 5.180 5.288 4.593 5.457 0.277 18 0 "[ . 1 . 2]" 1
159 1 17 LEU HB3 1 21 TYR QE . . 3.520 3.052 2.484 3.919 0.399 1 0 "[ . 1 . 2]" 1
160 1 17 LEU QD 1 18 SER HA . . 5.000 5.015 4.692 5.233 0.233 5 0 "[ . 1 . 2]" 1
161 1 17 LEU QD 1 18 SER QB . . 5.440 5.251 5.002 5.499 0.059 14 0 "[ . 1 . 2]" 1
162 1 17 LEU QD 1 20 TYR HB2 . . 4.830 4.248 3.495 4.429 . 0 0 "[ . 1 . 2]" 1
163 1 17 LEU QD 1 20 TYR HB3 . . 4.840 3.388 3.037 3.559 . 0 0 "[ . 1 . 2]" 1
164 1 17 LEU QD 1 20 TYR QD . . 3.720 3.376 2.763 4.036 0.316 15 0 "[ . 1 . 2]" 1
165 1 17 LEU QD 1 20 TYR QE . . 3.940 4.515 3.817 5.168 1.228 15 13 "[*-* * ***1 ***+ * *]" 1
166 1 17 LEU QD 1 21 TYR H . . 5.440 4.301 4.006 4.503 . 0 0 "[ . 1 . 2]" 1
167 1 17 LEU QD 1 21 TYR HA . . 5.310 5.391 4.910 5.698 0.388 20 0 "[ . 1 . 2]" 1
168 1 17 LEU QD 1 21 TYR HB2 . . 4.960 4.961 4.316 5.292 0.332 20 0 "[ . 1 . 2]" 1
169 1 17 LEU QD 1 21 TYR HB3 . . 5.440 5.816 5.204 6.191 0.751 3 8 "[ *+ . * *1- * . * *]" 1
170 1 17 LEU QD 1 21 TYR QD . . 3.840 3.506 2.826 3.849 0.009 20 0 "[ . 1 . 2]" 1
171 1 17 LEU QD 1 21 TYR QE . . 3.900 2.506 2.058 3.065 . 0 0 "[ . 1 . 2]" 1
172 1 17 LEU MD1 1 20 TYR HB2 . . 5.500 4.811 4.472 5.622 0.122 5 0 "[ . 1 . 2]" 1
173 1 17 LEU MD1 1 21 TYR QE . . 4.700 2.516 2.061 3.093 . 0 0 "[ . 1 . 2]" 1
174 1 17 LEU MD2 1 20 TYR HB2 . . 5.500 4.860 3.530 5.373 . 0 0 "[ . 1 . 2]" 1
175 1 17 LEU MD2 1 21 TYR QE . . 4.700 4.794 3.903 5.018 0.318 9 0 "[ . 1 . 2]" 1
176 1 17 LEU HG 1 21 TYR QE . . 4.650 4.116 3.386 4.552 . 0 0 "[ . 1 . 2]" 1
177 1 18 SER H 1 18 SER QB . . 3.320 2.343 2.194 2.601 . 0 0 "[ . 1 . 2]" 1
178 1 18 SER H 1 19 ARG H . . 3.690 2.959 2.818 3.153 . 0 0 "[ . 1 . 2]" 1
179 1 18 SER HA 1 19 ARG HA . . 4.950 4.875 4.827 4.922 . 0 0 "[ . 1 . 2]" 1
180 1 18 SER HA 1 21 TYR H . . 5.500 3.709 3.506 4.018 . 0 0 "[ . 1 . 2]" 1
181 1 18 SER HA 1 21 TYR HB2 . . 4.260 2.803 2.470 3.193 . 0 0 "[ . 1 . 2]" 1
182 1 18 SER HA 1 21 TYR HB3 . . 4.670 4.347 3.997 4.725 0.055 14 0 "[ . 1 . 2]" 1
183 1 18 SER HA 1 21 TYR QD . . 4.200 2.853 2.258 3.440 . 0 0 "[ . 1 . 2]" 1
184 1 18 SER HA 1 21 TYR QE . . 5.500 4.988 4.424 5.588 0.088 5 0 "[ . 1 . 2]" 1
185 1 18 SER HA 1 22 ALA H . . 5.500 4.093 3.894 4.348 . 0 0 "[ . 1 . 2]" 1
186 1 18 SER QB 1 19 ARG H . . 4.110 2.425 2.089 3.312 . 0 0 "[ . 1 . 2]" 1
187 1 19 ARG H 1 19 ARG QB . . 3.270 2.408 2.143 2.821 . 0 0 "[ . 1 . 2]" 1
188 1 19 ARG H 1 19 ARG QG . . 4.060 2.741 2.122 4.048 . 0 0 "[ . 1 . 2]" 1
189 1 19 ARG H 1 20 TYR H . . 3.610 2.795 2.673 2.883 . 0 0 "[ . 1 . 2]" 1
190 1 19 ARG HA 1 19 ARG HD2 . . 5.040 4.302 2.458 4.880 . 0 0 "[ . 1 . 2]" 1
191 1 19 ARG HA 1 19 ARG QD . . 4.360 3.874 2.434 4.315 . 0 0 "[ . 1 . 2]" 1
192 1 19 ARG HA 1 19 ARG HD3 . . 5.040 4.565 3.923 4.951 . 0 0 "[ . 1 . 2]" 1
193 1 19 ARG HA 1 22 ALA MB . . 3.470 2.950 2.659 3.267 . 0 0 "[ . 1 . 2]" 1
194 1 19 ARG QB 1 20 TYR HA . . 5.170 4.084 3.833 4.774 . 0 0 "[ . 1 . 2]" 1
195 1 20 TYR H 1 20 TYR HB2 . . 3.270 2.590 2.265 2.840 . 0 0 "[ . 1 . 2]" 1
196 1 20 TYR H 1 20 TYR HB3 . . 3.650 2.460 2.315 2.773 . 0 0 "[ . 1 . 2]" 1
197 1 20 TYR H 1 21 TYR H . . 4.090 2.915 2.798 2.982 . 0 0 "[ . 1 . 2]" 1
198 1 20 TYR HA 1 20 TYR QD . . 3.600 2.751 2.581 2.844 . 0 0 "[ . 1 . 2]" 1
199 1 20 TYR HA 1 20 TYR QE . . 5.500 4.616 4.393 4.735 . 0 0 "[ . 1 . 2]" 1
200 1 21 TYR H 1 21 TYR HB2 . . 3.570 2.276 2.198 2.365 . 0 0 "[ . 1 . 2]" 1
201 1 21 TYR H 1 21 TYR QD . . 4.710 3.184 2.847 3.463 . 0 0 "[ . 1 . 2]" 1
202 1 21 TYR H 1 22 ALA H . . 4.000 2.962 2.868 3.082 . 0 0 "[ . 1 . 2]" 1
203 1 21 TYR HA 1 21 TYR QD . . 3.990 2.328 2.113 2.773 . 0 0 "[ . 1 . 2]" 1
204 1 21 TYR HA 1 21 TYR QE . . 4.480 4.366 4.264 4.518 0.038 11 0 "[ . 1 . 2]" 1
205 1 21 TYR HA 1 24 LEU HB2 . . 4.150 3.053 2.806 3.602 . 0 0 "[ . 1 . 2]" 1
206 1 21 TYR HA 1 24 LEU HB3 . . 4.720 3.446 2.915 4.771 0.051 9 0 "[ . 1 . 2]" 1
207 1 21 TYR HA 1 24 LEU QD . . 5.500 3.716 2.741 4.291 . 0 0 "[ . 1 . 2]" 1
208 1 21 TYR HB2 1 22 ALA H . . 5.500 2.678 2.509 2.850 . 0 0 "[ . 1 . 2]" 1
209 1 22 ALA H 1 22 ALA MB . . 3.210 2.152 2.043 2.219 . 0 0 "[ . 1 . 2]" 1
210 1 22 ALA H 1 23 SER H . . 4.060 2.852 2.804 2.918 . 0 0 "[ . 1 . 2]" 1
211 1 22 ALA HA 1 25 ARG H . . 4.910 3.847 3.614 4.031 . 0 0 "[ . 1 . 2]" 1
212 1 22 ALA HA 1 25 ARG QB . . 3.740 3.428 3.169 3.577 . 0 0 "[ . 1 . 2]" 1
213 1 22 ALA HA 1 25 ARG QD . . 5.500 5.568 2.772 6.409 0.909 2 8 "[ +* * - * *** 2]" 1
214 1 22 ALA MB 1 23 SER H . . 3.810 2.614 2.498 2.778 . 0 0 "[ . 1 . 2]" 1
215 1 22 ALA MB 1 23 SER HA . . 4.990 3.952 3.858 4.017 . 0 0 "[ . 1 . 2]" 1
216 1 23 SER H 1 23 SER HB2 . . 4.050 2.538 2.210 3.553 . 0 0 "[ . 1 . 2]" 1
217 1 23 SER H 1 23 SER QB . . 3.520 2.417 2.152 2.685 . 0 0 "[ . 1 . 2]" 1
218 1 23 SER H 1 23 SER HB3 . . 4.050 3.409 2.264 3.647 . 0 0 "[ . 1 . 2]" 1
219 1 23 SER H 1 24 LEU H . . 4.100 2.832 2.725 2.960 . 0 0 "[ . 1 . 2]" 1
220 1 23 SER HA 1 26 HIS H . . 4.770 3.338 3.182 3.571 . 0 0 "[ . 1 . 2]" 1
221 1 23 SER HA 1 26 HIS HB2 . . 4.330 2.423 2.080 2.669 . 0 0 "[ . 1 . 2]" 1
222 1 23 SER HA 1 26 HIS QB . . 3.810 2.245 2.064 2.638 . 0 0 "[ . 1 . 2]" 1
223 1 23 SER HA 1 26 HIS HB3 . . 4.330 2.871 2.240 4.129 . 0 0 "[ . 1 . 2]" 1
224 1 23 SER HA 1 26 HIS HD2 . . 4.970 3.809 2.510 4.598 . 0 0 "[ . 1 . 2]" 1
225 1 24 LEU H 1 24 LEU HG . . 4.750 4.298 2.256 4.563 . 0 0 "[ . 1 . 2]" 1
226 1 24 LEU H 1 25 ARG H . . 4.440 2.920 2.781 3.030 . 0 0 "[ . 1 . 2]" 1
227 1 24 LEU HA 1 24 LEU QD . . 3.390 2.236 2.023 2.796 . 0 0 "[ . 1 . 2]" 1
228 1 24 LEU HA 1 27 TYR H . . 4.500 3.901 3.776 4.094 . 0 0 "[ . 1 . 2]" 1
229 1 24 LEU HA 1 27 TYR QB . . 3.660 3.464 3.120 3.619 . 0 0 "[ . 1 . 2]" 1
230 1 24 LEU HA 1 27 TYR QD . . 5.490 4.943 4.191 5.226 . 0 0 "[ . 1 . 2]" 1
231 1 24 LEU QB 1 25 ARG H . . 3.800 2.266 2.169 2.472 . 0 0 "[ . 1 . 2]" 1
232 1 24 LEU QD 1 25 ARG H . . 5.500 3.454 3.238 4.060 . 0 0 "[ . 1 . 2]" 1
233 1 24 LEU QD 1 25 ARG HA . . 4.060 3.562 3.184 5.189 1.129 9 1 "[ . +1 . 2]" 1
234 1 24 LEU QD 1 27 TYR QB . . 4.220 3.751 3.407 4.143 . 0 0 "[ . 1 . 2]" 1
235 1 24 LEU QD 1 27 TYR QD . . 5.500 4.020 3.440 4.614 . 0 0 "[ . 1 . 2]" 1
236 1 24 LEU QD 1 27 TYR QE . . 5.500 5.394 4.962 5.680 0.180 13 0 "[ . 1 . 2]" 1
237 1 24 LEU QD 1 28 LEU H . . 5.230 3.851 3.563 5.255 0.025 9 0 "[ . 1 . 2]" 1
238 1 24 LEU HG 1 25 ARG H . . 5.500 4.304 3.095 4.963 . 0 0 "[ . 1 . 2]" 1
239 1 25 ARG H 1 25 ARG QB . . 3.070 2.293 2.149 2.509 . 0 0 "[ . 1 . 2]" 1
240 1 25 ARG H 1 26 HIS H . . 3.660 2.704 2.650 2.763 . 0 0 "[ . 1 . 2]" 1
241 1 25 ARG HA 1 25 ARG QD . . 4.930 2.750 2.083 4.095 . 0 0 "[ . 1 . 2]" 1
242 1 25 ARG HA 1 25 ARG HG2 . . 4.040 3.084 2.221 3.777 . 0 0 "[ . 1 . 2]" 1
243 1 25 ARG HA 1 25 ARG HG3 . . 4.040 3.132 2.243 3.829 . 0 0 "[ . 1 . 2]" 1
244 1 25 ARG HA 1 27 TYR QB . . 5.330 5.229 5.040 5.362 0.032 12 0 "[ . 1 . 2]" 1
245 1 25 ARG HA 1 28 LEU H . . 5.500 3.422 3.302 3.526 . 0 0 "[ . 1 . 2]" 1
246 1 25 ARG HA 1 28 LEU QB . . 4.140 2.323 2.146 2.627 . 0 0 "[ . 1 . 2]" 1
247 1 25 ARG HA 1 28 LEU QD . . 4.420 3.194 2.612 4.196 . 0 0 "[ . 1 . 2]" 1
248 1 25 ARG QB 1 26 HIS H . . 3.550 2.709 2.633 2.793 . 0 0 "[ . 1 . 2]" 1
249 1 25 ARG QD 1 28 LEU QD . . 4.820 3.463 2.228 4.579 . 0 0 "[ . 1 . 2]" 1
250 1 26 HIS H 1 26 HIS HB2 . . 3.760 2.294 2.207 2.644 . 0 0 "[ . 1 . 2]" 1
251 1 26 HIS H 1 26 HIS QB . . 3.300 2.226 2.139 2.583 . 0 0 "[ . 1 . 2]" 1
252 1 26 HIS H 1 26 HIS HB3 . . 3.760 3.051 2.772 3.640 . 0 0 "[ . 1 . 2]" 1
253 1 26 HIS H 1 27 TYR H . . 3.750 3.012 2.931 3.089 . 0 0 "[ . 1 . 2]" 1
254 1 26 HIS HA 1 29 ASN QB . . 3.880 2.949 2.522 3.463 . 0 0 "[ . 1 . 2]" 1
255 1 26 HIS QB 1 27 TYR H . . 4.010 2.390 2.298 2.524 . 0 0 "[ . 1 . 2]" 1
256 1 27 TYR H 1 27 TYR QB . . 3.250 2.251 2.192 2.290 . 0 0 "[ . 1 . 2]" 1
257 1 27 TYR H 1 28 LEU H . . 3.910 2.794 2.698 2.902 . 0 0 "[ . 1 . 2]" 1
258 1 27 TYR HA 1 27 TYR QD . . 3.680 2.886 2.379 3.057 . 0 0 "[ . 1 . 2]" 1
259 1 27 TYR HA 1 30 LEU HB2 . . 4.810 3.441 2.562 3.789 . 0 0 "[ . 1 . 2]" 1
260 1 27 TYR HA 1 30 LEU QB . . 3.960 3.133 2.532 3.636 . 0 0 "[ . 1 . 2]" 1
261 1 27 TYR HA 1 30 LEU HB3 . . 4.810 3.715 3.049 4.681 . 0 0 "[ . 1 . 2]" 1
262 1 27 TYR HA 1 30 LEU MD1 . . 5.500 4.446 2.575 5.361 . 0 0 "[ . 1 . 2]" 1
263 1 27 TYR HA 1 30 LEU QD . . 4.810 3.848 2.567 4.351 . 0 0 "[ . 1 . 2]" 1
264 1 27 TYR HA 1 30 LEU MD2 . . 5.500 4.686 3.843 5.630 0.130 8 0 "[ . 1 . 2]" 1
265 1 27 TYR QB 1 28 LEU H . . 3.830 2.554 2.425 2.811 . 0 0 "[ . 1 . 2]" 1
266 1 27 TYR QB 1 28 LEU HA . . 5.420 4.301 4.203 4.393 . 0 0 "[ . 1 . 2]" 1
267 1 27 TYR QB 1 28 LEU QB . . 4.650 4.074 3.866 4.423 . 0 0 "[ . 1 . 2]" 1
268 1 27 TYR QB 1 30 LEU HB2 . . 5.500 5.279 4.524 5.537 0.037 14 0 "[ . 1 . 2]" 1
269 1 27 TYR QB 1 30 LEU QB . . 4.750 4.643 4.334 4.745 . 0 0 "[ . 1 . 2]" 1
270 1 27 TYR QB 1 30 LEU HB3 . . 5.500 5.188 4.817 5.550 0.050 12 0 "[ . 1 . 2]" 1
271 1 27 TYR QB 1 30 LEU QD . . 5.420 4.848 4.051 5.228 . 0 0 "[ . 1 . 2]" 1
272 1 27 TYR QD 1 28 LEU H . . 4.550 3.061 2.586 3.415 . 0 0 "[ . 1 . 2]" 1
273 1 27 TYR QD 1 28 LEU HA . . 4.430 3.092 2.782 3.918 . 0 0 "[ . 1 . 2]" 1
274 1 27 TYR QD 1 28 LEU QB . . 4.650 3.686 2.858 4.358 . 0 0 "[ . 1 . 2]" 1
275 1 27 TYR QD 1 28 LEU QD . . 5.440 3.836 2.052 4.707 . 0 0 "[ . 1 . 2]" 1
276 1 27 TYR QD 1 30 LEU QD . . 4.710 3.807 3.461 4.188 . 0 0 "[ . 1 . 2]" 1
277 1 27 TYR QD 1 31 VAL QG . . 4.660 3.642 2.906 4.478 . 0 0 "[ . 1 . 2]" 1
278 1 27 TYR QE 1 28 LEU QD . . 5.440 4.378 3.108 5.609 0.169 2 0 "[ . 1 . 2]" 1
279 1 27 TYR QE 1 31 VAL HB . . 5.500 4.738 3.121 5.463 . 0 0 "[ . 1 . 2]" 1
280 1 27 TYR QE 1 31 VAL QG . . 4.390 3.079 2.238 4.134 . 0 0 "[ . 1 . 2]" 1
281 1 28 LEU H 1 28 LEU HB2 . . 3.710 2.341 2.090 2.565 . 0 0 "[ . 1 . 2]" 1
282 1 28 LEU H 1 28 LEU HB3 . . 3.710 2.781 2.374 3.573 . 0 0 "[ . 1 . 2]" 1
283 1 28 LEU H 1 28 LEU MD1 . . 5.500 4.125 3.753 4.401 . 0 0 "[ . 1 . 2]" 1
284 1 28 LEU H 1 28 LEU MD2 . . 5.500 4.047 2.343 4.400 . 0 0 "[ . 1 . 2]" 1
285 1 28 LEU H 1 28 LEU HG . . 4.580 4.223 2.844 4.539 . 0 0 "[ . 1 . 2]" 1
286 1 28 LEU H 1 29 ASN H . . 4.080 2.869 2.779 2.956 . 0 0 "[ . 1 . 2]" 1
287 1 28 LEU HA 1 28 LEU QD . . 3.130 2.404 2.015 3.166 0.036 1 0 "[ . 1 . 2]" 1
288 1 28 LEU HA 1 31 VAL HB . . 5.380 3.994 2.731 5.104 . 0 0 "[ . 1 . 2]" 1
289 1 28 LEU HA 1 31 VAL QG . . 3.480 2.366 1.951 2.922 . 0 0 "[ . 1 . 2]" 1
290 1 28 LEU QB 1 28 LEU QD . . 2.780 1.957 1.889 2.079 . 0 0 "[ . 1 . 2]" 1
291 1 28 LEU QB 1 29 ASN H . . 3.780 2.747 2.472 2.949 . 0 0 "[ . 1 . 2]" 1
292 1 28 LEU QB 1 29 ASN HA . . 5.320 4.216 3.920 4.533 . 0 0 "[ . 1 . 2]" 1
293 1 28 LEU QB 1 31 VAL QG . . 5.280 3.947 3.463 4.519 . 0 0 "[ . 1 . 2]" 1
294 1 28 LEU QD 1 29 ASN HA . . 5.160 3.949 2.806 5.005 . 0 0 "[ . 1 . 2]" 1
295 1 28 LEU QD 1 31 VAL QG . . 3.900 2.741 1.995 3.798 . 0 0 "[ . 1 . 2]" 1
296 1 28 LEU QD 1 32 THR MG . . 3.980 3.119 2.082 4.531 0.551 16 1 "[ . 1 .+ 2]" 1
297 1 28 LEU MD1 1 32 THR HB . . 5.500 4.880 3.622 5.563 0.063 8 0 "[ . 1 . 2]" 1
298 1 28 LEU MD2 1 32 THR HB . . 5.500 4.387 2.313 5.549 0.049 14 0 "[ . 1 . 2]" 1
299 1 28 LEU HG 1 29 ASN H . . 5.410 4.610 3.645 5.366 . 0 0 "[ . 1 . 2]" 1
300 1 29 ASN H 1 29 ASN QB . . 3.250 2.208 2.107 2.642 . 0 0 "[ . 1 . 2]" 1
301 1 29 ASN H 1 30 LEU H . . 2.850 2.876 2.770 3.031 0.181 8 0 "[ . 1 . 2]" 1
302 1 29 ASN H 1 32 THR MG . . 5.500 4.484 3.924 5.541 0.041 8 0 "[ . 1 . 2]" 1
303 1 29 ASN HA 1 30 LEU HA . . 5.270 4.829 4.750 4.918 . 0 0 "[ . 1 . 2]" 1
304 1 29 ASN HA 1 32 THR H . . 5.500 3.611 2.983 4.693 . 0 0 "[ . 1 . 2]" 1
305 1 29 ASN HA 1 32 THR MG . . 4.870 2.622 1.935 4.237 . 0 0 "[ . 1 . 2]" 1
306 1 29 ASN QB 1 30 LEU H . . 4.450 2.944 2.625 3.723 . 0 0 "[ . 1 . 2]" 1
307 1 30 LEU H 1 30 LEU HB2 . . 3.970 2.353 2.062 2.509 . 0 0 "[ . 1 . 2]" 1
308 1 30 LEU H 1 30 LEU HB3 . . 3.970 2.638 2.438 3.404 . 0 0 "[ . 1 . 2]" 1
309 1 30 LEU H 1 30 LEU QD . . 4.570 3.689 3.346 3.794 . 0 0 "[ . 1 . 2]" 1
310 1 30 LEU H 1 30 LEU HG . . 4.650 4.384 3.128 4.566 . 0 0 "[ . 1 . 2]" 1
311 1 30 LEU H 1 31 VAL H . . 3.840 2.601 2.430 2.804 . 0 0 "[ . 1 . 2]" 1
312 1 30 LEU HA 1 30 LEU QD . . 3.730 2.557 2.090 3.037 . 0 0 "[ . 1 . 2]" 1
313 1 30 LEU HA 1 31 VAL QG . . 5.380 4.734 4.269 5.091 . 0 0 "[ . 1 . 2]" 1
314 1 30 LEU HA 1 33 ARG QD . . 5.180 3.568 2.031 4.816 . 0 0 "[ . 1 . 2]" 1
315 1 30 LEU QB 1 31 VAL H . . 4.090 2.852 2.512 3.162 . 0 0 "[ . 1 . 2]" 1
316 1 30 LEU QD 1 31 VAL H . . 5.500 3.916 3.163 4.390 . 0 0 "[ . 1 . 2]" 1
317 1 30 LEU QD 1 31 VAL QG . . 4.310 3.600 2.300 4.363 0.053 19 0 "[ . 1 . 2]" 1
318 1 30 LEU HG 1 31 VAL H . . 4.690 4.672 4.192 5.063 0.373 2 0 "[ . 1 . 2]" 1
319 1 31 VAL H 1 31 VAL HB . . 3.850 2.855 2.473 3.780 . 0 0 "[ . 1 . 2]" 1
320 1 31 VAL H 1 31 VAL QG . . 3.830 2.211 1.968 2.541 . 0 0 "[ . 1 . 2]" 1
321 1 31 VAL H 1 32 THR H . . 3.870 2.569 2.150 3.071 . 0 0 "[ . 1 . 2]" 1
322 1 31 VAL HA 1 31 VAL MG1 . . 3.640 2.692 2.179 3.263 . 0 0 "[ . 1 . 2]" 1
323 1 31 VAL HA 1 31 VAL QG . . 3.110 2.144 2.066 2.259 . 0 0 "[ . 1 . 2]" 1
324 1 31 VAL HA 1 31 VAL MG2 . . 3.640 2.496 2.151 3.269 . 0 0 "[ . 1 . 2]" 1
325 1 31 VAL HB 1 32 THR H . . 4.520 4.165 3.605 4.531 0.011 16 0 "[ . 1 . 2]" 1
326 1 31 VAL QG 1 32 THR H . . 4.250 3.419 2.917 3.841 . 0 0 "[ . 1 . 2]" 1
327 1 31 VAL QG 1 32 THR HA . . 4.540 4.029 3.662 4.376 . 0 0 "[ . 1 . 2]" 1
328 1 31 VAL QG 1 32 THR MG . . 4.540 3.686 2.230 4.712 0.172 18 0 "[ . 1 . 2]" 1
329 1 31 VAL MG1 1 32 THR H . . 5.010 3.859 2.964 4.401 . 0 0 "[ . 1 . 2]" 1
330 1 31 VAL MG1 1 32 THR HA . . 5.240 4.452 3.880 5.762 0.522 20 1 "[ . 1 . +]" 1
331 1 31 VAL MG1 1 32 THR MG . . 5.500 4.245 2.399 5.522 0.022 10 0 "[ . 1 . 2]" 1
332 1 31 VAL MG2 1 32 THR H . . 5.010 4.106 3.147 4.392 . 0 0 "[ . 1 . 2]" 1
333 1 31 VAL MG2 1 32 THR HA . . 5.240 4.958 4.108 5.858 0.618 17 1 "[ . 1 . + 2]" 1
334 1 31 VAL MG2 1 32 THR MG . . 5.500 4.577 2.236 5.765 0.265 16 0 "[ . 1 . 2]" 1
335 1 32 THR H 1 32 THR MG . . 4.270 2.669 2.209 3.921 . 0 0 "[ . 1 . 2]" 1
336 1 32 THR H 1 33 ARG H . . 4.020 2.810 2.093 3.885 . 0 0 "[ . 1 . 2]" 1
337 1 32 THR HA 1 32 THR MG . . 3.300 2.944 2.227 3.265 . 0 0 "[ . 1 . 2]" 1
338 1 32 THR HA 1 33 ARG QG . . 4.620 4.479 3.900 4.979 0.359 14 0 "[ . 1 . 2]" 1
339 1 32 THR MG 1 33 ARG H . . 5.500 3.710 2.320 4.337 . 0 0 "[ . 1 . 2]" 1
340 1 32 THR MG 1 33 ARG HA . . 5.500 4.496 3.166 5.755 0.255 7 0 "[ . 1 . 2]" 1
341 1 33 ARG H 1 33 ARG QG . . 4.450 2.474 2.016 3.314 . 0 0 "[ . 1 . 2]" 1
342 1 33 ARG H 1 34 GLN H . . 4.210 3.257 2.251 3.973 . 0 0 "[ . 1 . 2]" 1
343 1 33 ARG HA 1 33 ARG QD . . 4.500 3.905 2.115 4.474 . 0 0 "[ . 1 . 2]" 1
344 1 33 ARG HA 1 33 ARG QG . . 3.650 2.937 2.320 3.394 . 0 0 "[ . 1 . 2]" 1
345 1 34 GLN H 1 34 GLN QB . . 3.600 2.593 2.181 3.451 . 0 0 "[ . 1 . 2]" 1
346 1 34 GLN H 1 34 GLN QG . . 4.940 2.860 2.036 4.316 . 0 0 "[ . 1 . 2]" 1
347 1 34 GLN HA 1 34 GLN QG . . 3.690 2.736 2.179 3.528 . 0 0 "[ . 1 . 2]" 1
348 1 34 GLN HA 1 35 ARG QD . . 4.680 4.147 2.369 4.746 0.066 19 0 "[ . 1 . 2]" 1
349 1 34 GLN QB 1 35 ARG H . . 4.430 2.813 2.142 4.077 . 0 0 "[ . 1 . 2]" 1
350 1 34 GLN QB 1 35 ARG QG . . 4.700 4.295 3.589 4.732 0.032 6 0 "[ . 1 . 2]" 1
351 1 34 GLN QG 1 35 ARG H . . 5.230 3.585 1.950 4.752 . 0 0 "[ . 1 . 2]" 1
352 1 34 GLN QG 1 35 ARG QG . . 5.270 4.730 3.126 5.427 0.157 19 0 "[ . 1 . 2]" 1
353 1 35 ARG H 1 35 ARG QB . . 3.620 2.839 2.471 3.388 . 0 0 "[ . 1 . 2]" 1
354 1 35 ARG HA 1 35 ARG QD . . 4.370 3.294 2.076 4.462 0.092 4 0 "[ . 1 . 2]" 1
355 1 35 ARG HA 1 36 TYR QB . . 4.870 4.631 4.042 5.096 0.226 18 0 "[ . 1 . 2]" 1
356 1 35 ARG QB 1 36 TYR H . . 4.270 3.787 2.921 4.084 . 0 0 "[ . 1 . 2]" 1
357 1 36 TYR H 1 36 TYR HB2 . . 3.960 2.792 2.237 3.870 . 0 0 "[ . 1 . 2]" 1
358 1 36 TYR H 1 36 TYR HB3 . . 3.960 3.004 2.422 3.990 0.030 10 0 "[ . 1 . 2]" 1
359 1 36 TYR HA 1 36 TYR QD . . 4.530 2.688 2.191 3.773 . 0 0 "[ . 1 . 2]" 1
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