NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
497649 |
2kn1   |
17252 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kn1
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 298
_Distance_constraint_stats_list.Viol_count 2366
_Distance_constraint_stats_list.Viol_total 3384.585
_Distance_constraint_stats_list.Viol_max 0.491
_Distance_constraint_stats_list.Viol_rms 0.0544
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0284
_Distance_constraint_stats_list.Viol_average_violations_only 0.0715
_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 2 GLN 0.291 0.075 19 0 "[ . 1 . 2]"
1 3 MET 5.422 0.230 16 0 "[ . 1 . 2]"
1 4 ALA 5.204 0.230 16 0 "[ . 1 . 2]"
1 5 GLY 1.820 0.195 15 0 "[ . 1 . 2]"
1 6 GLN 4.923 0.282 13 0 "[ . 1 . 2]"
1 7 CYS 6.728 0.196 20 0 "[ . 1 . 2]"
1 8 SER 1.344 0.085 2 0 "[ . 1 . 2]"
1 9 GLN 5.964 0.240 11 0 "[ . 1 . 2]"
1 10 ASN 5.146 0.175 15 0 "[ . 1 . 2]"
1 11 GLU 15.963 0.281 18 0 "[ . 1 . 2]"
1 12 TYR 16.189 0.491 15 0 "[ . 1 . 2]"
1 13 PHE 2.917 0.152 12 0 "[ . 1 . 2]"
1 14 ASP 5.241 0.129 17 0 "[ . 1 . 2]"
1 15 SER 2.604 0.089 18 0 "[ . 1 . 2]"
1 16 LEU 2.171 0.094 13 0 "[ . 1 . 2]"
1 17 LEU 2.198 0.079 11 0 "[ . 1 . 2]"
1 18 HIS 5.002 0.247 13 0 "[ . 1 . 2]"
1 19 ALA 12.478 0.317 2 0 "[ . 1 . 2]"
1 20 CYS 6.822 0.317 2 0 "[ . 1 . 2]"
1 21 ILE 15.132 0.254 15 0 "[ . 1 . 2]"
1 22 PRO 13.408 0.310 6 0 "[ . 1 . 2]"
1 23 CYS 2.599 0.491 15 0 "[ . 1 . 2]"
1 24 GLN 3.392 0.122 19 0 "[ . 1 . 2]"
1 25 LEU 3.955 0.122 19 0 "[ . 1 . 2]"
1 26 ARG 8.010 0.197 11 0 "[ . 1 . 2]"
1 27 CYS 8.579 0.194 12 0 "[ . 1 . 2]"
1 28 SER 7.026 0.334 12 0 "[ . 1 . 2]"
1 29 SER 5.902 0.243 18 0 "[ . 1 . 2]"
1 30 ASN 5.097 0.221 9 0 "[ . 1 . 2]"
1 31 THR 5.206 0.163 15 0 "[ . 1 . 2]"
1 32 PRO 8.967 0.359 12 0 "[ . 1 . 2]"
1 33 PRO 4.206 0.203 10 0 "[ . 1 . 2]"
1 34 LEU 10.410 0.203 10 0 "[ . 1 . 2]"
1 35 THR 6.503 0.161 3 0 "[ . 1 . 2]"
1 36 CYS 8.656 0.203 10 0 "[ . 1 . 2]"
1 37 GLN 6.664 0.213 14 0 "[ . 1 . 2]"
1 38 ARG 3.095 0.213 14 0 "[ . 1 . 2]"
1 39 TYR 6.000 0.185 13 0 "[ . 1 . 2]"
1 40 CYS 5.540 0.126 4 0 "[ . 1 . 2]"
1 41 ASN 6.086 0.215 13 0 "[ . 1 . 2]"
1 42 ALA 6.624 0.215 13 0 "[ . 1 . 2]"
1 43 SER 4.450 0.168 3 0 "[ . 1 . 2]"
1 44 VAL 3.372 0.111 12 0 "[ . 1 . 2]"
1 45 THR 2.563 0.148 15 0 "[ . 1 . 2]"
1 46 ASN 1.438 0.116 2 0 "[ . 1 . 2]"
1 47 SER 1.047 0.269 14 0 "[ . 1 . 2]"
1 48 VAL 6.543 0.310 17 0 "[ . 1 . 2]"
1 49 LYS 7.116 0.231 17 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 2 GLN HA 1 2 GLN QG 3.000 2.340 3.660 2.905 2.345 3.404 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN HA 1 3 MET H 2.160 . 2.380 2.156 2.095 2.210 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN QB 1 3 MET H 3.020 2.720 3.320 3.129 2.843 3.376 0.056 17 0 "[ . 1 . 2]" 1
4 1 2 GLN QB 1 13 PHE QE 4.150 2.780 5.520 4.735 2.783 5.595 0.075 19 0 "[ . 1 . 2]" 1
5 1 2 GLN QE 1 2 GLN QG 2.845 2.200 3.490 2.303 2.191 2.583 0.009 6 0 "[ . 1 . 2]" 1
6 1 2 GLN QG 1 3 MET H 4.545 3.730 5.360 4.241 4.005 4.541 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET H 1 3 MET HA 2.670 2.200 2.940 2.356 2.273 2.653 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET H 1 3 MET QB 3.330 3.000 3.660 3.118 3.011 3.411 . 0 0 "[ . 1 . 2]" 1
9 1 3 MET H 1 3 MET QG 4.980 4.520 5.440 4.483 4.335 4.571 0.185 10 0 "[ . 1 . 2]" 1
10 1 3 MET H 1 4 ALA H 3.000 2.700 3.300 2.896 2.586 3.493 0.193 10 0 "[ . 1 . 2]" 1
11 1 3 MET HA 1 4 ALA MB 3.755 2.930 4.680 4.578 3.844 4.910 0.230 16 0 "[ . 1 . 2]" 1
12 1 3 MET HA 1 6 GLN H 4.410 3.970 4.850 4.704 3.917 4.901 0.053 16 0 "[ . 1 . 2]" 1
13 1 3 MET QB 1 4 ALA H 2.960 2.740 3.260 3.139 2.607 3.427 0.167 10 0 "[ . 1 . 2]" 1
14 1 4 ALA H 1 4 ALA MB 2.755 2.030 3.480 2.227 2.012 2.761 0.018 1 0 "[ . 1 . 2]" 1
15 1 4 ALA H 1 5 GLY H 4.140 3.730 4.550 3.791 3.648 4.342 0.082 16 0 "[ . 1 . 2]" 1
16 1 4 ALA HA 1 5 GLY H 2.315 2.080 2.550 2.393 2.156 2.561 0.011 16 0 "[ . 1 . 2]" 1
17 1 4 ALA HA 1 13 PHE QD 4.050 2.680 5.420 5.067 2.624 5.521 0.101 16 0 "[ . 1 . 2]" 1
18 1 4 ALA MB 1 5 GLY H 3.555 2.750 4.360 3.651 3.451 3.724 . 0 0 "[ . 1 . 2]" 1
19 1 4 ALA MB 1 13 PHE QD 4.300 2.450 6.150 4.355 2.433 5.631 0.017 10 0 "[ . 1 . 2]" 1
20 1 4 ALA MB 1 13 PHE QE 4.920 3.010 6.830 4.805 2.959 6.799 0.051 20 0 "[ . 1 . 2]" 1
21 1 5 GLY H 1 5 GLY QA 2.680 2.410 2.950 2.403 2.215 2.504 0.195 15 0 "[ . 1 . 2]" 1
22 1 5 GLY QA 1 6 GLN H 2.935 2.640 3.230 2.755 2.582 2.912 0.058 20 0 "[ . 1 . 2]" 1
23 1 6 GLN H 1 6 GLN HA 2.415 2.170 2.660 2.616 2.263 2.763 0.103 11 0 "[ . 1 . 2]" 1
24 1 6 GLN H 1 7 CYS H 2.390 2.150 2.630 2.696 2.668 2.772 0.142 19 0 "[ . 1 . 2]" 1
25 1 6 GLN HA 1 6 GLN QB 2.790 2.510 3.070 2.513 2.228 2.540 0.282 13 0 "[ . 1 . 2]" 1
26 1 6 GLN HA 1 7 CYS H 2.055 . 2.260 2.345 2.312 2.364 0.104 7 0 "[ . 1 . 2]" 1
27 1 6 GLN QG 1 7 CYS H 3.900 3.150 4.650 4.254 3.991 4.673 0.023 18 0 "[ . 1 . 2]" 1
28 1 7 CYS H 1 7 CYS QB 2.600 2.380 2.820 2.527 2.249 2.914 0.131 16 0 "[ . 1 . 2]" 1
29 1 7 CYS HA 1 7 CYS QB 2.200 . 2.420 2.425 2.157 2.537 0.117 16 0 "[ . 1 . 2]" 1
30 1 7 CYS HA 1 8 SER H 2.135 . 2.350 2.250 2.145 2.411 0.061 18 0 "[ . 1 . 2]" 1
31 1 7 CYS QB 1 8 SER H 3.215 2.890 3.540 2.923 2.854 3.140 0.036 16 0 "[ . 1 . 2]" 1
32 1 7 CYS QB 1 11 GLU H 2.920 2.630 3.510 3.629 3.556 3.706 0.196 20 0 "[ . 1 . 2]" 1
33 1 7 CYS QB 1 20 CYS QB 4.000 . 5.000 2.547 1.939 3.714 . 0 0 "[ . 1 . 2]" 1
34 1 8 SER H 1 8 SER QB 2.685 2.420 2.950 2.586 2.391 2.929 0.029 4 0 "[ . 1 . 2]" 1
35 1 8 SER H 1 11 GLU QG 4.120 3.710 4.530 4.093 3.701 4.542 0.012 6 0 "[ . 1 . 2]" 1
36 1 8 SER HA 1 9 GLN H 2.075 . 2.280 2.302 2.207 2.365 0.085 2 0 "[ . 1 . 2]" 1
37 1 8 SER QB 1 9 GLN H 2.565 2.310 2.820 2.689 2.463 2.892 0.072 3 0 "[ . 1 . 2]" 1
38 1 9 GLN H 1 9 GLN HA 2.140 . 2.650 2.715 2.672 2.744 0.094 1 0 "[ . 1 . 2]" 1
39 1 9 GLN H 1 9 GLN QB 2.270 2.040 2.500 2.204 2.057 2.500 0.000 14 0 "[ . 1 . 2]" 1
40 1 9 GLN H 1 9 GLN QG 3.220 2.540 3.900 3.390 2.532 3.901 0.008 2 0 "[ . 1 . 2]" 1
41 1 9 GLN HA 1 11 GLU H 2.660 2.390 3.300 3.488 3.430 3.540 0.240 11 0 "[ . 1 . 2]" 1
42 1 10 ASN H 1 10 ASN HA 2.275 2.050 2.500 2.250 2.238 2.268 . 0 0 "[ . 1 . 2]" 1
43 1 10 ASN H 1 10 ASN QB 3.375 3.040 3.710 3.093 2.974 3.392 0.066 16 0 "[ . 1 . 2]" 1
44 1 10 ASN H 1 11 GLU H 2.890 2.600 3.180 2.679 2.565 2.923 0.035 14 0 "[ . 1 . 2]" 1
45 1 10 ASN HA 1 10 ASN QB 2.610 2.350 2.870 2.392 2.194 2.540 0.156 14 0 "[ . 1 . 2]" 1
46 1 10 ASN HA 1 11 GLU H 2.510 2.260 2.760 2.900 2.871 2.935 0.175 15 0 "[ . 1 . 2]" 1
47 1 10 ASN HA 1 39 TYR QD 4.040 2.670 5.410 4.857 3.579 5.493 0.083 16 0 "[ . 1 . 2]" 1
48 1 10 ASN HA 1 39 TYR QE 4.305 2.910 5.700 5.127 3.429 5.758 0.058 5 0 "[ . 1 . 2]" 1
49 1 10 ASN QB 1 10 ASN QD 2.700 2.430 3.270 2.421 2.269 2.560 0.161 15 0 "[ . 1 . 2]" 1
50 1 11 GLU H 1 11 GLU HA 2.735 2.460 3.010 2.925 2.886 2.942 . 0 0 "[ . 1 . 2]" 1
51 1 11 GLU HA 1 11 GLU QG 2.335 2.100 2.570 2.097 2.022 2.215 0.078 4 0 "[ . 1 . 2]" 1
52 1 11 GLU HA 1 12 TYR H 1.965 . 2.165 2.231 2.129 2.321 0.156 20 0 "[ . 1 . 2]" 1
53 1 11 GLU HA 1 12 TYR QD 4.035 2.660 5.410 3.982 3.448 4.605 . 0 0 "[ . 1 . 2]" 1
54 1 11 GLU HA 1 22 PRO HA 2.855 2.570 3.140 2.362 2.289 2.453 0.281 18 0 "[ . 1 . 2]" 1
55 1 11 GLU QG 1 12 TYR H 2.855 2.610 3.100 2.836 2.579 3.124 0.031 2 0 "[ . 1 . 2]" 1
56 1 11 GLU QG 1 12 TYR QD 4.305 2.910 5.700 4.614 4.253 4.935 . 0 0 "[ . 1 . 2]" 1
57 1 11 GLU QG 1 21 ILE H 3.380 3.040 3.720 3.395 3.032 3.753 0.033 5 0 "[ . 1 . 2]" 1
58 1 11 GLU QG 1 22 PRO HA . 2.270 2.430 2.423 2.221 2.488 0.058 5 0 "[ . 1 . 2]" 1
59 1 12 TYR H 1 12 TYR HA 2.595 2.340 2.950 2.970 2.958 2.978 0.028 18 0 "[ . 1 . 2]" 1
60 1 12 TYR H 1 12 TYR QB 2.785 2.510 3.060 2.811 2.551 2.969 . 0 0 "[ . 1 . 2]" 1
61 1 12 TYR H 1 12 TYR QD 3.335 2.030 4.640 2.693 2.219 2.965 . 0 0 "[ . 1 . 2]" 1
62 1 12 TYR H 1 12 TYR QE 4.145 2.760 5.530 4.456 4.113 4.925 . 0 0 "[ . 1 . 2]" 1
63 1 12 TYR H 1 13 PHE H 3.290 2.960 5.290 4.323 4.269 4.395 . 0 0 "[ . 1 . 2]" 1
64 1 12 TYR H 1 21 ILE H 2.420 2.180 2.660 2.828 2.743 2.875 0.215 8 0 "[ . 1 . 2]" 1
65 1 12 TYR H 1 21 ILE HB 3.355 3.020 3.690 3.853 3.740 3.944 0.254 15 0 "[ . 1 . 2]" 1
66 1 12 TYR H 1 22 PRO HA 3.000 2.400 3.200 3.441 3.328 3.510 0.310 6 0 "[ . 1 . 2]" 1
67 1 12 TYR HA 1 12 TYR QD 4.055 2.680 5.430 3.704 3.621 3.746 . 0 0 "[ . 1 . 2]" 1
68 1 12 TYR HA 1 13 PHE H 2.155 . 2.370 2.066 2.036 2.108 . 0 0 "[ . 1 . 2]" 1
69 1 12 TYR HA 1 35 THR MG 3.580 2.770 4.390 3.736 2.893 4.411 0.021 10 0 "[ . 1 . 2]" 1
70 1 12 TYR QB 1 12 TYR QD 3.255 . 4.550 2.135 2.131 2.149 . 0 0 "[ . 1 . 2]" 1
71 1 12 TYR QB 1 12 TYR QE 4.250 2.940 5.640 3.931 3.925 3.944 . 0 0 "[ . 1 . 2]" 1
72 1 12 TYR QB 1 13 PHE H 2.820 2.540 3.200 3.264 3.213 3.352 0.152 12 0 "[ . 1 . 2]" 1
73 1 12 TYR QD 1 13 PHE H 3.965 2.600 5.330 3.985 3.574 4.342 . 0 0 "[ . 1 . 2]" 1
74 1 12 TYR QD 1 14 ASP HA 4.235 2.840 5.630 3.248 2.935 4.095 . 0 0 "[ . 1 . 2]" 1
75 1 12 TYR QD 1 14 ASP QB 3.635 2.300 4.970 3.592 3.145 4.624 . 0 0 "[ . 1 . 2]" 1
76 1 12 TYR QD 1 21 ILE H 4.375 2.970 5.780 3.796 2.948 3.972 0.022 12 0 "[ . 1 . 2]" 1
77 1 12 TYR QD 1 21 ILE MD 4.610 2.730 6.490 4.523 3.804 5.127 . 0 0 "[ . 1 . 2]" 1
78 1 12 TYR QD 1 21 ILE MG 4.420 2.560 6.280 3.797 2.855 4.337 . 0 0 "[ . 1 . 2]" 1
79 1 12 TYR QD 1 23 CYS HA 3.420 2.110 4.730 3.122 2.373 3.862 . 0 0 "[ . 1 . 2]" 1
80 1 12 TYR QD 1 26 ARG QB 4.000 2.630 5.370 4.850 3.514 5.390 0.020 5 0 "[ . 1 . 2]" 1
81 1 12 TYR QD 1 26 ARG QG 3.985 2.620 5.350 4.614 3.813 5.384 0.034 20 0 "[ . 1 . 2]" 1
82 1 12 TYR QD 1 33 PRO QB 4.270 2.540 6.000 5.750 5.073 6.177 0.177 12 0 "[ . 1 . 2]" 1
83 1 12 TYR QD 1 35 THR MG 3.150 . 4.500 3.666 1.819 4.493 . 0 0 "[ . 1 . 2]" 1
84 1 12 TYR QE 1 14 ASP HA 3.365 2.060 4.670 3.506 2.580 3.929 . 0 0 "[ . 1 . 2]" 1
85 1 12 TYR QE 1 14 ASP QB 3.850 2.500 5.200 2.701 2.437 3.961 0.063 20 0 "[ . 1 . 2]" 1
86 1 12 TYR QE 1 15 SER H 4.530 3.110 5.950 5.571 4.587 6.006 0.056 20 0 "[ . 1 . 2]" 1
87 1 12 TYR QE 1 21 ILE HB 3.510 2.190 4.830 2.940 2.144 3.408 0.046 12 0 "[ . 1 . 2]" 1
88 1 12 TYR QE 1 21 ILE MD 4.340 2.490 6.190 3.822 2.836 4.641 . 0 0 "[ . 1 . 2]" 1
89 1 12 TYR QE 1 21 ILE MG 3.885 2.080 5.690 2.736 2.037 3.261 0.043 6 0 "[ . 1 . 2]" 1
90 1 12 TYR QE 1 23 CYS HA 3.765 2.420 5.110 3.041 1.929 5.004 0.491 15 0 "[ . 1 . 2]" 1
91 1 12 TYR QE 1 26 ARG QG 3.530 2.300 4.850 2.967 2.285 4.062 0.015 8 0 "[ . 1 . 2]" 1
92 1 13 PHE H 1 13 PHE QD 4.400 2.990 5.810 4.160 3.867 4.244 . 0 0 "[ . 1 . 2]" 1
93 1 13 PHE H 1 35 THR MG 4.565 3.130 6.000 4.583 3.092 5.517 0.038 12 0 "[ . 1 . 2]" 1
94 1 13 PHE HA 1 14 ASP H 2.100 . 2.310 2.229 2.168 2.316 0.006 8 0 "[ . 1 . 2]" 1
95 1 13 PHE HA 1 21 ILE H 2.880 2.590 3.170 3.201 3.042 3.261 0.091 2 0 "[ . 1 . 2]" 1
96 1 13 PHE QB 1 13 PHE QE 4.010 2.280 5.740 3.928 3.918 3.952 . 0 0 "[ . 1 . 2]" 1
97 1 13 PHE QB 1 14 ASP H 3.355 2.660 4.050 3.986 3.891 4.035 . 0 0 "[ . 1 . 2]" 1
98 1 13 PHE QD 1 14 ASP H 4.290 2.890 5.690 3.904 3.008 4.252 . 0 0 "[ . 1 . 2]" 1
99 1 13 PHE QD 1 15 SER HA 4.100 2.720 5.480 3.542 2.892 4.314 . 0 0 "[ . 1 . 2]" 1
100 1 13 PHE QD 1 15 SER QB 4.445 3.030 5.860 3.958 3.446 5.011 . 0 0 "[ . 1 . 2]" 1
101 1 13 PHE QD 1 18 HIS H 5.095 3.620 6.570 4.674 3.806 5.135 . 0 0 "[ . 1 . 2]" 1
102 1 13 PHE QD 1 19 ALA HA 3.965 2.600 5.330 3.316 2.618 4.835 . 0 0 "[ . 1 . 2]" 1
103 1 13 PHE QD 1 19 ALA MB 4.945 3.030 6.860 4.417 3.974 5.244 . 0 0 "[ . 1 . 2]" 1
104 1 13 PHE QD 1 21 ILE H 4.730 3.290 6.170 5.144 4.674 5.663 . 0 0 "[ . 1 . 2]" 1
105 1 13 PHE QE 1 15 SER HA 3.575 2.250 4.900 3.173 2.509 4.511 . 0 0 "[ . 1 . 2]" 1
106 1 13 PHE QE 1 15 SER QB 4.375 2.970 5.780 4.083 3.281 5.789 0.009 8 0 "[ . 1 . 2]" 1
107 1 13 PHE QE 1 18 HIS QB 3.595 2.940 4.920 3.606 2.927 4.269 0.013 14 0 "[ . 1 . 2]" 1
108 1 13 PHE QE 1 19 ALA HA 3.710 2.370 5.050 3.224 2.333 4.764 0.037 7 0 "[ . 1 . 2]" 1
109 1 13 PHE QE 1 19 ALA MB 4.550 2.680 6.420 4.413 3.823 5.290 . 0 0 "[ . 1 . 2]" 1
110 1 13 PHE QE 1 20 CYS H 4.800 3.350 6.250 4.094 3.331 5.883 0.019 18 0 "[ . 1 . 2]" 1
111 1 14 ASP H 1 14 ASP QB 2.355 2.120 2.590 2.202 2.083 2.635 0.045 17 0 "[ . 1 . 2]" 1
112 1 14 ASP H 1 17 LEU QB 3.230 2.910 3.550 3.594 3.550 3.626 0.076 6 0 "[ . 1 . 2]" 1
113 1 14 ASP H 1 19 ALA H 2.745 2.190 3.300 3.136 2.739 3.298 . 0 0 "[ . 1 . 2]" 1
114 1 14 ASP H 1 19 ALA MB 3.800 2.970 4.630 4.280 3.876 4.502 . 0 0 "[ . 1 . 2]" 1
115 1 14 ASP H 1 20 CYS HA 3.000 2.700 3.200 3.272 3.215 3.329 0.129 17 0 "[ . 1 . 2]" 1
116 1 14 ASP H 1 21 ILE MD 3.545 2.740 4.350 3.253 2.697 3.728 0.043 7 0 "[ . 1 . 2]" 1
117 1 14 ASP HA 1 15 SER H 1.980 . 2.180 2.180 2.150 2.208 0.028 11 0 "[ . 1 . 2]" 1
118 1 14 ASP HA 1 16 LEU H 3.000 2.700 3.300 3.381 3.357 3.394 0.094 13 0 "[ . 1 . 2]" 1
119 1 14 ASP QB 1 15 SER H 3.835 3.450 4.220 3.828 3.604 3.974 . 0 0 "[ . 1 . 2]" 1
120 1 14 ASP QB 1 19 ALA H 3.290 2.960 3.620 3.563 3.124 3.667 0.047 7 0 "[ . 1 . 2]" 1
121 1 14 ASP QB 1 21 ILE MD 3.670 2.850 4.490 2.888 2.801 3.272 0.049 4 0 "[ . 1 . 2]" 1
122 1 15 SER H 1 15 SER HA 2.475 2.230 2.720 2.753 2.731 2.789 0.069 18 0 "[ . 1 . 2]" 1
123 1 15 SER H 1 15 SER QB 2.615 2.350 2.880 2.477 2.272 2.843 0.078 5 0 "[ . 1 . 2]" 1
124 1 15 SER H 1 16 LEU H 2.590 2.330 2.850 2.770 2.704 2.825 . 0 0 "[ . 1 . 2]" 1
125 1 15 SER H 1 17 LEU H 3.780 3.060 4.500 4.175 4.124 4.218 . 0 0 "[ . 1 . 2]" 1
126 1 15 SER HA 1 16 LEU H 3.210 2.890 3.530 3.429 3.351 3.456 . 0 0 "[ . 1 . 2]" 1
127 1 15 SER HA 1 18 HIS H 2.935 2.640 3.230 3.283 3.269 3.314 0.084 19 0 "[ . 1 . 2]" 1
128 1 15 SER QB 1 16 LEU H 3.815 3.430 4.200 3.557 3.341 3.641 0.089 18 0 "[ . 1 . 2]" 1
129 1 16 LEU H 1 16 LEU HA 2.355 . 2.890 2.898 2.886 2.918 0.028 18 0 "[ . 1 . 2]" 1
130 1 16 LEU H 1 16 LEU QB 2.310 2.080 2.540 2.245 2.146 2.297 . 0 0 "[ . 1 . 2]" 1
131 1 16 LEU H 1 17 LEU H 2.120 . 2.330 2.286 2.103 2.351 0.021 12 0 "[ . 1 . 2]" 1
132 1 16 LEU HA 1 17 LEU H 3.620 3.260 3.980 3.468 3.449 3.480 . 0 0 "[ . 1 . 2]" 1
133 1 16 LEU QB 1 17 LEU H 2.760 2.480 3.040 2.875 2.764 2.972 . 0 0 "[ . 1 . 2]" 1
134 1 17 LEU H 1 17 LEU QB 2.200 . 2.420 2.471 2.452 2.499 0.079 11 0 "[ . 1 . 2]" 1
135 1 17 LEU H 1 17 LEU QD 3.595 2.180 5.010 3.244 3.186 3.273 . 0 0 "[ . 1 . 2]" 1
136 1 17 LEU H 1 17 LEU HG 2.290 2.060 2.520 2.533 2.514 2.543 0.023 13 0 "[ . 1 . 2]" 1
137 1 17 LEU QB 1 19 ALA H 3.085 2.780 3.390 3.065 2.785 3.239 . 0 0 "[ . 1 . 2]" 1
138 1 18 HIS H 1 18 HIS HD1 3.685 3.320 4.050 3.679 3.379 3.993 . 0 0 "[ . 1 . 2]" 1
139 1 18 HIS H 1 19 ALA H 2.420 2.180 2.660 2.697 2.655 2.796 0.136 14 0 "[ . 1 . 2]" 1
140 1 18 HIS H 1 19 ALA MB 4.980 4.030 5.930 4.316 4.232 4.397 . 0 0 "[ . 1 . 2]" 1
141 1 18 HIS QB 1 19 ALA H 2.865 2.030 3.700 3.859 3.813 3.947 0.247 13 0 "[ . 1 . 2]" 1
142 1 19 ALA H 1 19 ALA MB 2.845 2.110 3.580 2.760 2.625 2.867 . 0 0 "[ . 1 . 2]" 1
143 1 19 ALA H 1 20 CYS H 3.480 3.130 3.830 4.033 3.933 4.147 0.317 2 0 "[ . 1 . 2]" 1
144 1 19 ALA H 1 21 ILE MD 3.090 2.330 3.850 3.706 3.386 3.883 0.033 16 0 "[ . 1 . 2]" 1
145 1 19 ALA HA 1 19 ALA MB 2.610 . 3.320 2.085 2.081 2.088 . 0 0 "[ . 1 . 2]" 1
146 1 19 ALA HA 1 20 CYS H 1.935 . 2.130 2.138 2.112 2.175 0.045 19 0 "[ . 1 . 2]" 1
147 1 19 ALA MB 1 20 CYS H 2.755 2.030 3.480 3.063 2.723 3.330 . 0 0 "[ . 1 . 2]" 1
148 1 19 ALA MB 1 21 ILE H 3.145 2.190 4.100 4.293 4.255 4.335 0.235 6 0 "[ . 1 . 2]" 1
149 1 20 CYS HA 1 21 ILE H 2.360 2.120 2.600 2.096 2.040 2.109 0.080 15 0 "[ . 1 . 2]" 1
150 1 20 CYS QB 1 21 ILE H 3.135 2.800 3.470 3.495 3.430 3.644 0.174 15 0 "[ . 1 . 2]" 1
151 1 21 ILE H 1 21 ILE HA 2.700 2.430 2.970 2.933 2.911 2.947 . 0 0 "[ . 1 . 2]" 1
152 1 21 ILE H 1 21 ILE HB 2.390 2.150 2.630 2.484 2.328 2.746 0.116 1 0 "[ . 1 . 2]" 1
153 1 21 ILE H 1 21 ILE MG 3.345 2.560 4.130 3.768 3.701 3.815 . 0 0 "[ . 1 . 2]" 1
154 1 21 ILE MD 1 22 PRO QD 4.545 3.640 5.450 4.085 3.533 4.518 0.107 10 0 "[ . 1 . 2]" 1
155 1 21 ILE MG 1 22 PRO QD 2.645 . 3.360 1.877 1.840 1.924 0.090 15 0 "[ . 1 . 2]" 1
156 1 22 PRO HA 1 23 CYS H 2.370 2.130 2.610 2.248 2.130 2.435 0.000 7 0 "[ . 1 . 2]" 1
157 1 22 PRO QB 1 23 CYS H 2.980 2.680 3.280 2.985 2.630 3.311 0.050 2 0 "[ . 1 . 2]" 1
158 1 22 PRO QB 1 24 GLN H 3.190 2.870 3.510 3.032 2.821 3.524 0.049 1 0 "[ . 1 . 2]" 1
159 1 22 PRO QD 1 22 PRO QG 2.535 2.080 2.990 1.981 1.959 1.989 0.121 8 0 "[ . 1 . 2]" 1
160 1 23 CYS H 1 23 CYS QB 3.100 2.790 3.410 2.719 2.510 2.837 0.280 11 0 "[ . 1 . 2]" 1
161 1 23 CYS H 1 39 TYR QD 4.420 3.010 5.830 5.406 4.636 5.854 0.024 10 0 "[ . 1 . 2]" 1
162 1 23 CYS HA 1 36 CYS QB 4.000 . 5.000 4.257 3.233 4.908 . 0 0 "[ . 1 . 2]" 1
163 1 23 CYS QB 1 24 GLN H 2.760 2.480 3.040 2.929 2.599 3.088 0.048 4 0 "[ . 1 . 2]" 1
164 1 23 CYS QB 1 39 TYR QD 3.445 2.280 4.760 3.460 2.275 4.263 0.005 8 0 "[ . 1 . 2]" 1
165 1 23 CYS QB 1 39 TYR QE 3.885 2.530 5.240 4.629 3.381 5.252 0.012 6 0 "[ . 1 . 2]" 1
166 1 24 GLN H 1 24 GLN HA 2.855 2.570 3.240 2.750 2.681 2.842 . 0 0 "[ . 1 . 2]" 1
167 1 24 GLN H 1 25 LEU H 2.780 2.500 3.060 2.866 2.536 3.076 0.016 4 0 "[ . 1 . 2]" 1
168 1 24 GLN H 1 39 TYR QD 4.745 3.300 6.190 4.635 3.639 5.394 . 0 0 "[ . 1 . 2]" 1
169 1 24 GLN H 1 39 TYR QE 4.195 2.810 5.580 4.437 3.729 5.121 . 0 0 "[ . 1 . 2]" 1
170 1 24 GLN HA 1 25 LEU H 2.910 2.420 3.400 3.507 3.471 3.522 0.122 19 0 "[ . 1 . 2]" 1
171 1 24 GLN HA 1 27 CYS H 3.085 2.780 3.390 3.357 3.054 3.459 0.069 11 0 "[ . 1 . 2]" 1
172 1 24 GLN HA 1 39 TYR QD 4.285 2.890 5.680 4.221 3.516 4.998 . 0 0 "[ . 1 . 2]" 1
173 1 24 GLN HA 1 39 TYR QE 3.350 2.050 4.650 4.124 2.634 4.656 0.006 14 0 "[ . 1 . 2]" 1
174 1 24 GLN QB 1 25 LEU H 2.410 2.170 2.650 2.434 2.161 2.687 0.037 11 0 "[ . 1 . 2]" 1
175 1 24 GLN QB 1 39 TYR QE 3.795 2.450 5.140 3.535 2.452 4.683 . 0 0 "[ . 1 . 2]" 1
176 1 24 GLN QG 1 25 LEU H 2.910 2.620 3.200 3.224 3.204 3.237 0.037 11 0 "[ . 1 . 2]" 1
177 1 24 GLN QG 1 39 TYR QD 4.430 3.020 5.840 4.501 3.204 5.852 0.012 18 0 "[ . 1 . 2]" 1
178 1 24 GLN QG 1 39 TYR QE 3.800 2.470 5.130 3.392 2.468 4.913 0.002 6 0 "[ . 1 . 2]" 1
179 1 25 LEU H 1 25 LEU HA 2.500 2.250 2.750 2.807 2.757 2.835 0.085 11 0 "[ . 1 . 2]" 1
180 1 25 LEU H 1 25 LEU QD 4.030 2.570 5.490 3.192 2.553 3.703 0.017 4 0 "[ . 1 . 2]" 1
181 1 25 LEU H 1 26 ARG H 2.605 2.340 2.870 2.698 2.618 2.813 . 0 0 "[ . 1 . 2]" 1
182 1 25 LEU QB 1 26 ARG H 3.290 2.960 3.620 3.317 3.004 3.672 0.052 4 0 "[ . 1 . 2]" 1
183 1 26 ARG H 1 26 ARG HA 2.530 2.280 2.880 2.924 2.892 2.933 0.053 17 0 "[ . 1 . 2]" 1
184 1 26 ARG H 1 26 ARG QB 3.035 2.730 3.340 2.660 2.533 2.706 0.197 11 0 "[ . 1 . 2]" 1
185 1 26 ARG H 1 27 CYS H 2.230 2.010 2.450 2.023 1.938 2.364 0.072 11 0 "[ . 1 . 2]" 1
186 1 26 ARG HA 1 26 ARG HE 2.935 2.640 3.230 2.992 2.637 3.255 0.025 11 0 "[ . 1 . 2]" 1
187 1 26 ARG HA 1 27 CYS H 2.700 2.330 3.070 3.225 3.183 3.263 0.193 3 0 "[ . 1 . 2]" 1
188 1 26 ARG QB 1 27 CYS H 2.955 2.660 3.250 3.348 3.297 3.406 0.156 15 0 "[ . 1 . 2]" 1
189 1 27 CYS H 1 27 CYS HA 2.465 2.220 2.810 2.777 2.291 2.920 0.110 11 0 "[ . 1 . 2]" 1
190 1 27 CYS H 1 27 CYS QB 2.665 2.400 2.930 2.369 2.206 2.730 0.194 12 0 "[ . 1 . 2]" 1
191 1 27 CYS HA 1 40 CYS QB 2.765 2.490 3.240 3.227 2.492 3.366 0.126 4 0 "[ . 1 . 2]" 1
192 1 27 CYS QB 1 40 CYS HA 4.000 . 5.000 3.238 2.532 4.326 . 0 0 "[ . 1 . 2]" 1
193 1 27 CYS QB 1 40 CYS QB 4.000 . 5.000 2.975 2.050 4.342 . 0 0 "[ . 1 . 2]" 1
194 1 28 SER H 1 28 SER HA 2.385 . 2.520 2.645 2.227 2.854 0.334 12 0 "[ . 1 . 2]" 1
195 1 28 SER H 1 28 SER QB 2.320 2.090 2.550 2.555 2.100 2.833 0.283 6 0 "[ . 1 . 2]" 1
196 1 28 SER H 1 29 SER H 2.555 2.300 2.810 2.802 2.296 2.918 0.108 8 0 "[ . 1 . 2]" 1
197 1 28 SER HA 1 29 SER H 2.790 2.510 3.070 2.885 2.477 3.313 0.243 18 0 "[ . 1 . 2]" 1
198 1 29 SER H 1 29 SER HA 2.640 2.380 2.900 2.680 2.273 2.919 0.107 6 0 "[ . 1 . 2]" 1
199 1 29 SER H 1 29 SER QB 2.635 2.370 2.900 2.900 2.369 3.057 0.157 1 0 "[ . 1 . 2]" 1
200 1 29 SER H 1 30 ASN H 3.410 2.970 4.150 4.245 4.139 4.328 0.178 6 0 "[ . 1 . 2]" 1
201 1 29 SER HA 1 30 ASN H 2.275 2.050 2.500 2.285 2.066 2.656 0.156 9 0 "[ . 1 . 2]" 1
202 1 29 SER QB 1 30 ASN H 2.520 2.270 2.770 2.758 2.242 2.913 0.143 7 0 "[ . 1 . 2]" 1
203 1 30 ASN H 1 30 ASN HA 2.135 . 2.550 2.378 2.270 2.771 0.221 9 0 "[ . 1 . 2]" 1
204 1 30 ASN H 1 31 THR H 2.475 2.230 2.720 2.745 2.383 2.860 0.140 9 0 "[ . 1 . 2]" 1
205 1 31 THR H 1 31 THR HA 2.325 . 2.660 2.543 2.263 2.818 0.158 11 0 "[ . 1 . 2]" 1
206 1 31 THR H 1 31 THR HB 2.745 2.470 3.020 2.967 2.772 3.183 0.163 15 0 "[ . 1 . 2]" 1
207 1 31 THR H 1 32 PRO QD 2.700 2.430 2.970 2.768 2.347 3.107 0.137 3 0 "[ . 1 . 2]" 1
208 1 31 THR HA 1 31 THR HB 2.690 2.420 2.960 2.778 2.411 3.009 0.049 3 0 "[ . 1 . 2]" 1
209 1 31 THR HA 1 32 PRO QD 2.245 2.120 2.470 2.169 1.992 2.527 0.128 15 0 "[ . 1 . 2]" 1
210 1 32 PRO HA 1 33 PRO QD 2.435 . 3.040 2.348 1.903 3.135 0.095 9 0 "[ . 1 . 2]" 1
211 1 32 PRO QD 1 32 PRO QG 3.010 2.350 4.170 2.005 1.991 2.014 0.359 12 0 "[ . 1 . 2]" 1
212 1 33 PRO HA 1 33 PRO QB 2.290 2.060 2.520 2.181 2.162 2.192 . 0 0 "[ . 1 . 2]" 1
213 1 33 PRO HA 1 34 LEU H 2.135 . 2.350 2.401 2.345 2.442 0.092 16 0 "[ . 1 . 2]" 1
214 1 33 PRO HA 1 36 CYS H 2.795 2.390 3.200 3.291 3.248 3.403 0.203 10 0 "[ . 1 . 2]" 1
215 1 33 PRO HA 1 37 GLN H 3.480 2.760 4.200 4.202 3.512 4.307 0.107 10 0 "[ . 1 . 2]" 1
216 1 33 PRO QB 1 33 PRO QD 3.110 2.440 3.780 2.880 2.760 3.000 . 0 0 "[ . 1 . 2]" 1
217 1 34 LEU H 1 34 LEU QB 2.910 2.260 3.560 2.754 2.653 3.480 . 0 0 "[ . 1 . 2]" 1
218 1 34 LEU H 1 34 LEU QD 4.235 2.760 5.710 2.786 2.696 3.442 0.064 9 0 "[ . 1 . 2]" 1
219 1 34 LEU H 1 34 LEU HG 2.380 2.140 2.620 2.118 2.001 2.621 0.139 9 0 "[ . 1 . 2]" 1
220 1 34 LEU H 1 35 THR H 3.370 2.830 3.710 2.748 2.669 3.483 0.161 3 0 "[ . 1 . 2]" 1
221 1 34 LEU HA 1 36 CYS H 3.200 2.880 3.620 3.761 3.730 3.823 0.203 10 0 "[ . 1 . 2]" 1
222 1 34 LEU HA 1 37 GLN H 3.230 2.910 3.550 3.580 3.549 3.637 0.087 9 0 "[ . 1 . 2]" 1
223 1 34 LEU HA 1 37 GLN QB 3.185 2.870 3.600 3.068 2.855 3.433 0.015 13 0 "[ . 1 . 2]" 1
224 1 34 LEU HA 1 37 GLN QE 3.655 3.290 4.020 3.626 3.295 4.021 0.001 18 0 "[ . 1 . 2]" 1
225 1 34 LEU HA 1 37 GLN QG 3.735 3.360 4.110 3.848 3.356 4.200 0.090 14 0 "[ . 1 . 2]" 1
226 1 34 LEU QB 1 35 THR H 3.320 2.630 4.010 2.652 2.496 3.441 0.134 1 0 "[ . 1 . 2]" 1
227 1 34 LEU QD 1 37 GLN QE 3.925 2.480 5.370 4.056 2.992 5.360 . 0 0 "[ . 1 . 2]" 1
228 1 34 LEU HG 1 35 THR H 3.665 3.300 4.030 3.918 3.240 4.143 0.113 11 0 "[ . 1 . 2]" 1
229 1 35 THR H 1 35 THR HA 2.510 2.260 2.860 2.896 2.870 2.906 0.046 6 0 "[ . 1 . 2]" 1
230 1 35 THR H 1 35 THR HB 2.545 2.290 2.800 2.730 2.547 2.847 0.047 12 0 "[ . 1 . 2]" 1
231 1 35 THR H 1 36 CYS H 2.765 2.490 3.040 2.438 2.395 2.475 0.095 6 0 "[ . 1 . 2]" 1
232 1 36 CYS H 1 36 CYS HA 2.620 2.360 2.880 2.934 2.824 2.948 0.068 11 0 "[ . 1 . 2]" 1
233 1 36 CYS H 1 37 GLN H 2.240 2.020 2.460 1.967 1.941 1.996 0.079 6 0 "[ . 1 . 2]" 1
234 1 36 CYS HA 1 37 GLN H 3.190 2.870 3.510 3.314 2.911 3.407 . 0 0 "[ . 1 . 2]" 1
235 1 36 CYS HA 1 39 TYR H 3.155 2.840 3.470 3.029 2.814 3.390 0.026 19 0 "[ . 1 . 2]" 1
236 1 36 CYS HA 1 39 TYR QB 3.070 2.760 3.380 2.945 2.742 3.397 0.018 5 0 "[ . 1 . 2]" 1
237 1 36 CYS HA 1 39 TYR QD 4.165 2.780 5.550 4.955 4.753 5.319 . 0 0 "[ . 1 . 2]" 1
238 1 36 CYS HA 1 40 CYS H 3.580 3.220 3.940 3.956 3.837 4.008 0.068 14 0 "[ . 1 . 2]" 1
239 1 36 CYS QB 1 39 TYR QD 4.680 3.240 6.120 4.262 3.644 4.983 . 0 0 "[ . 1 . 2]" 1
240 1 36 CYS QB 1 40 CYS H 3.160 2.840 3.480 3.309 2.970 3.540 0.060 11 0 "[ . 1 . 2]" 1
241 1 37 GLN H 1 38 ARG H 2.755 2.480 3.030 2.844 2.469 3.046 0.016 11 0 "[ . 1 . 2]" 1
242 1 37 GLN HA 1 37 GLN QB 2.590 2.330 2.950 2.407 2.187 2.541 0.143 10 0 "[ . 1 . 2]" 1
243 1 37 GLN HA 1 38 ARG H 2.910 2.420 3.400 3.483 3.442 3.532 0.132 8 0 "[ . 1 . 2]" 1
244 1 37 GLN HA 1 40 CYS H 3.245 2.920 3.570 3.607 3.577 3.636 0.066 20 0 "[ . 1 . 2]" 1
245 1 37 GLN HA 1 40 CYS QB 2.710 2.440 2.980 2.703 2.426 2.929 0.014 13 0 "[ . 1 . 2]" 1
246 1 37 GLN QB 1 38 ARG H 2.755 2.480 3.030 2.935 2.474 3.243 0.213 14 0 "[ . 1 . 2]" 1
247 1 38 ARG H 1 38 ARG QB 2.480 . 3.090 2.147 2.045 2.504 . 0 0 "[ . 1 . 2]" 1
248 1 38 ARG H 1 38 ARG QG 3.245 3.070 3.570 3.340 3.035 3.649 0.079 15 0 "[ . 1 . 2]" 1
249 1 38 ARG HA 1 41 ASN QB 2.955 2.300 3.610 3.455 2.621 3.771 0.161 13 0 "[ . 1 . 2]" 1
250 1 39 TYR H 1 39 TYR HA 2.130 . 2.740 2.841 2.795 2.864 0.124 16 0 "[ . 1 . 2]" 1
251 1 39 TYR H 1 39 TYR QB 2.500 2.250 2.750 2.268 2.206 2.293 0.044 17 0 "[ . 1 . 2]" 1
252 1 39 TYR H 1 40 CYS H 2.755 2.480 3.030 2.558 2.455 2.756 0.025 5 0 "[ . 1 . 2]" 1
253 1 39 TYR H 1 41 ASN H 4.345 3.910 4.780 4.033 3.889 4.367 0.021 14 0 "[ . 1 . 2]" 1
254 1 39 TYR HA 1 40 CYS H 2.515 2.260 3.470 3.536 3.514 3.557 0.087 11 0 "[ . 1 . 2]" 1
255 1 39 TYR HA 1 41 ASN QD 3.465 3.120 3.810 3.826 3.678 3.995 0.185 13 0 "[ . 1 . 2]" 1
256 1 39 TYR HA 1 42 ALA H 2.890 2.600 3.180 3.248 3.221 3.292 0.112 16 0 "[ . 1 . 2]" 1
257 1 39 TYR HA 1 42 ALA MB 3.165 2.400 3.930 2.627 2.410 3.081 . 0 0 "[ . 1 . 2]" 1
258 1 39 TYR QB 1 39 TYR QE 4.145 2.760 5.530 3.939 3.929 3.948 . 0 0 "[ . 1 . 2]" 1
259 1 39 TYR QB 1 40 CYS H 2.810 2.530 3.090 2.578 2.496 2.765 0.034 14 0 "[ . 1 . 2]" 1
260 1 39 TYR QD 1 40 CYS H 3.895 2.540 5.250 3.680 3.179 4.237 . 0 0 "[ . 1 . 2]" 1
261 1 39 TYR QD 1 40 CYS HA 3.705 2.370 5.040 3.286 2.636 4.244 . 0 0 "[ . 1 . 2]" 1
262 1 40 CYS H 1 40 CYS QB 2.575 2.320 2.830 2.304 2.257 2.453 0.063 6 0 "[ . 1 . 2]" 1
263 1 40 CYS H 1 41 ASN H 2.760 2.600 2.920 2.694 2.609 2.793 . 0 0 "[ . 1 . 2]" 1
264 1 40 CYS HA 1 40 CYS QB 2.490 2.240 2.740 2.387 2.319 2.490 . 0 0 "[ . 1 . 2]" 1
265 1 40 CYS HA 1 43 SER H 3.325 2.990 3.660 3.714 3.679 3.741 0.081 3 0 "[ . 1 . 2]" 1
266 1 40 CYS QB 1 41 ASN H 2.600 2.340 2.860 2.691 2.483 2.905 0.045 13 0 "[ . 1 . 2]" 1
267 1 41 ASN H 1 41 ASN HA 2.245 . 2.770 2.827 2.783 2.853 0.083 4 0 "[ . 1 . 2]" 1
268 1 41 ASN H 1 42 ALA H 2.520 2.270 2.770 2.471 2.389 2.580 . 0 0 "[ . 1 . 2]" 1
269 1 41 ASN HA 1 42 ALA H 2.730 2.260 3.200 3.353 3.314 3.415 0.215 13 0 "[ . 1 . 2]" 1
270 1 41 ASN HA 1 44 VAL H 3.410 3.070 3.750 3.784 3.680 3.811 0.061 12 0 "[ . 1 . 2]" 1
271 1 41 ASN QB 1 42 ALA H 3.100 2.430 3.770 3.470 2.752 3.723 . 0 0 "[ . 1 . 2]" 1
272 1 42 ALA H 1 42 ALA HA 2.425 . 2.970 2.934 2.915 2.942 . 0 0 "[ . 1 . 2]" 1
273 1 42 ALA H 1 43 SER H 2.720 2.450 2.990 2.536 2.433 2.728 0.017 19 0 "[ . 1 . 2]" 1
274 1 42 ALA HA 1 43 SER H 2.570 2.310 2.830 2.938 2.893 2.998 0.168 3 0 "[ . 1 . 2]" 1
275 1 42 ALA MB 1 43 SER H 3.025 2.270 3.780 3.568 3.502 3.610 . 0 0 "[ . 1 . 2]" 1
276 1 43 SER H 1 43 SER HA 2.225 . 2.850 2.908 2.831 2.930 0.080 8 0 "[ . 1 . 2]" 1
277 1 43 SER H 1 43 SER QB 2.690 2.060 3.320 2.647 2.412 3.288 . 0 0 "[ . 1 . 2]" 1
278 1 44 VAL H 1 44 VAL HA 2.570 2.310 2.830 2.679 2.272 2.924 0.094 15 0 "[ . 1 . 2]" 1
279 1 44 VAL H 1 45 THR H 2.590 2.330 2.850 2.847 2.645 2.934 0.084 12 0 "[ . 1 . 2]" 1
280 1 44 VAL HA 1 44 VAL HB 2.815 2.530 3.100 2.795 2.472 3.020 0.058 18 0 "[ . 1 . 2]" 1
281 1 44 VAL HA 1 44 VAL QG 3.580 2.180 4.980 2.203 2.120 2.302 0.060 8 0 "[ . 1 . 2]" 1
282 1 44 VAL HA 1 45 THR H 2.310 2.080 2.540 2.562 2.469 2.651 0.111 12 0 "[ . 1 . 2]" 1
283 1 45 THR H 1 45 THR HB 3.220 2.900 3.540 3.413 2.950 3.688 0.148 15 0 "[ . 1 . 2]" 1
284 1 45 THR H 1 45 THR MG 4.040 3.190 4.890 3.698 3.127 4.115 0.063 8 0 "[ . 1 . 2]" 1
285 1 45 THR HB 1 46 ASN H 2.980 2.680 3.280 3.082 2.611 3.376 0.096 17 0 "[ . 1 . 2]" 1
286 1 46 ASN H 1 46 ASN HA 2.545 2.290 2.800 2.636 2.265 2.916 0.116 2 0 "[ . 1 . 2]" 1
287 1 46 ASN HA 1 47 SER H 2.520 2.270 2.770 2.491 2.215 2.832 0.062 9 0 "[ . 1 . 2]" 1
288 1 47 SER H 1 47 SER HA 2.120 . 2.330 2.317 2.269 2.599 0.269 14 0 "[ . 1 . 2]" 1
289 1 47 SER HA 1 47 SER QB 2.735 2.100 3.370 2.395 2.177 2.541 . 0 0 "[ . 1 . 2]" 1
290 1 47 SER HA 1 48 VAL H 2.230 2.010 2.450 2.250 2.130 2.501 0.051 15 0 "[ . 1 . 2]" 1
291 1 47 SER QB 1 48 VAL H 4.110 3.340 4.880 3.665 3.318 3.993 0.022 14 0 "[ . 1 . 2]" 1
292 1 48 VAL H 1 48 VAL QG 3.670 2.260 5.080 2.609 2.259 2.725 0.001 17 0 "[ . 1 . 2]" 1
293 1 48 VAL H 1 49 LYS H 2.910 2.620 3.200 3.295 2.610 3.387 0.187 1 0 "[ . 1 . 2]" 1
294 1 48 VAL HA 1 48 VAL HB 2.360 2.120 2.600 2.591 2.398 2.910 0.310 17 0 "[ . 1 . 2]" 1
295 1 48 VAL HA 1 49 LYS H 2.245 . 2.670 2.145 2.052 2.901 0.231 17 0 "[ . 1 . 2]" 1
296 1 48 VAL HB 1 49 LYS H 3.000 2.500 3.600 3.757 3.715 3.816 0.216 17 0 "[ . 1 . 2]" 1
297 1 48 VAL QG 1 49 LYS H 4.170 2.710 5.630 3.587 3.495 3.665 . 0 0 "[ . 1 . 2]" 1
298 1 49 LYS H 1 49 LYS HA 2.165 . 2.480 2.413 2.277 2.692 0.212 16 0 "[ . 1 . 2]" 1
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