NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436193 |
2k0q   |
15655 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k0q
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 302
_Distance_constraint_stats_list.Viol_count 533
_Distance_constraint_stats_list.Viol_total 1574.719
_Distance_constraint_stats_list.Viol_max 3.372
_Distance_constraint_stats_list.Viol_rms 0.1004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0130
_Distance_constraint_stats_list.Viol_average_violations_only 0.1477
_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 VAL 1.318 0.226 15 0 "[ . 1 . 2]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 11.535 0.484 10 0 "[ . 1 . 2]"
1 4 SER 3.786 0.270 1 0 "[ . 1 . 2]"
1 5 ASN 3.415 0.223 6 0 "[ . 1 . 2]"
1 6 VAL 12.918 0.484 10 0 "[ . 1 . 2]"
1 7 VAL 1.011 0.160 19 0 "[ . 1 . 2]"
1 8 LYS 1.258 0.160 19 0 "[ . 1 . 2]"
1 9 THR 1.355 0.111 19 0 "[ . 1 . 2]"
1 10 TYR 0.186 0.186 19 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.010 0.010 15 0 "[ . 1 . 2]"
1 13 GLN 0.869 0.390 18 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 1.500 0.390 18 0 "[ . 1 . 2]"
1 16 SER 0.623 0.390 18 0 "[ . 1 . 2]"
1 17 LYS 2.141 0.170 5 0 "[ . 1 . 2]"
1 18 VAL 2.356 0.116 16 0 "[ . 1 . 2]"
1 19 HIS 2.843 0.147 10 0 "[ . 1 . 2]"
1 20 VAL 11.021 0.862 18 8 "[ * *** *1 *- . + 2]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LYS 1.311 0.223 6 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 1.252 0.269 19 0 "[ . 1 . 2]"
1 26 MET 3.064 0.269 19 0 "[ . 1 . 2]"
1 27 GLY 1.417 0.162 14 0 "[ . 1 . 2]"
1 28 MET 1.871 0.200 3 0 "[ . 1 . 2]"
1 29 GLU 1.085 0.116 16 0 "[ . 1 . 2]"
1 30 ASN 4.426 0.283 6 0 "[ . 1 . 2]"
1 31 LYS 6.905 0.311 20 0 "[ . 1 . 2]"
1 32 PHE 0.573 0.311 20 0 "[ . 1 . 2]"
1 33 GLY 4.556 0.283 6 0 "[ . 1 . 2]"
1 34 LYS 4.116 0.311 20 0 "[ . 1 . 2]"
1 35 SER 5.770 0.283 6 0 "[ . 1 . 2]"
1 36 MET 0.684 0.200 3 0 "[ . 1 . 2]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 MET 0.349 0.153 9 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.689 0.200 12 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LYS 5.221 0.287 10 0 "[ . 1 . 2]"
1 43 VAL 1.274 0.109 1 0 "[ . 1 . 2]"
1 44 MET 1.245 0.216 3 0 "[ . 1 . 2]"
1 45 GLU 0.913 0.216 3 0 "[ . 1 . 2]"
1 46 THR 0.896 0.134 17 0 "[ . 1 . 2]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.257 0.124 18 0 "[ . 1 . 2]"
1 49 GLY 0.257 0.124 18 0 "[ . 1 . 2]"
1 50 THR 2.478 0.566 8 2 "[ . + 1 . - 2]"
1 51 LYS 1.869 0.216 3 0 "[ . 1 . 2]"
1 52 ILE 3.933 0.566 8 2 "[ . + 1 . - 2]"
1 53 ILE 3.264 0.260 6 0 "[ . 1 . 2]"
1 54 MET 1.382 0.200 12 0 "[ . 1 . 2]"
1 55 LYS 0.445 0.145 11 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.148 0.145 11 0 "[ . 1 . 2]"
1 58 GLU 8.278 0.862 18 8 "[ * *** *1 *- . + 2]"
1 59 ILE 10.480 0.862 18 8 "[ * *** *1 *- . + 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 26.366 3.372 20 16 "[****. **** -* *****+]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.017 0.017 13 0 "[ . 1 . 2]"
1 64 GLU 26.076 3.372 20 16 "[****. **** -* *****+]"
1 65 ALA 0.066 0.035 15 0 "[ . 1 . 2]"
1 66 LEU 0.076 0.035 15 0 "[ . 1 . 2]"
1 67 ARG 1.626 0.256 20 0 "[ . 1 . 2]"
1 68 LYS 1.616 0.256 20 0 "[ . 1 . 2]"
1 69 GLY 0.002 0.002 4 0 "[ . 1 . 2]"
1 70 HIS 0.002 0.002 4 0 "[ . 1 . 2]"
1 71 SER 0.002 0.002 4 0 "[ . 1 . 2]"
1 72 GLU 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 8 LYS QG 1 9 THR HB 4.760 . 4.760 4.781 4.627 4.849 0.089 6 0 "[ . 1 . 2]" 1
2 1 50 THR HB 1 52 ILE MG 5.060 . 5.060 3.838 2.877 5.535 0.475 14 0 "[ . 1 . 2]" 1
3 1 16 SER HB3 1 28 MET QG 5.500 . 5.500 3.416 2.982 4.442 . 0 0 "[ . 1 . 2]" 1
4 1 16 SER HB2 1 28 MET QG 5.310 . 5.310 4.234 3.981 5.306 . 0 0 "[ . 1 . 2]" 1
5 1 34 LYS HA 1 35 SER QB 3.780 . 3.780 3.815 3.637 3.889 0.109 1 0 "[ . 1 . 2]" 1
6 1 12 LEU HB3 1 16 SER HB3 4.320 . 4.320 2.414 1.790 2.899 0.010 15 0 "[ . 1 . 2]" 1
7 1 9 THR HA 1 18 VAL HB 4.700 . 4.700 4.604 4.306 4.788 0.088 18 0 "[ . 1 . 2]" 1
8 1 20 VAL HA 1 26 MET QG 4.140 . 4.140 2.274 1.779 4.203 0.063 10 0 "[ . 1 . 2]" 1
9 1 8 LYS QG 1 9 THR HA 4.870 . 4.870 3.603 3.418 3.753 . 0 0 "[ . 1 . 2]" 1
10 1 18 VAL HA 1 28 MET QG 4.170 . 4.170 3.491 2.994 3.972 . 0 0 "[ . 1 . 2]" 1
11 1 43 VAL HB 1 53 ILE HA 4.480 . 4.480 3.221 2.210 3.967 . 0 0 "[ . 1 . 2]" 1
12 1 53 ILE MD 1 59 ILE HA 4.860 . 4.860 4.448 3.938 4.923 0.063 7 0 "[ . 1 . 2]" 1
13 1 16 SER HA 1 17 LYS QB 4.360 . 4.360 3.248 2.972 3.864 . 0 0 "[ . 1 . 2]" 1
14 1 51 LYS HB2 1 52 ILE HA 5.480 . 5.480 4.063 3.134 4.543 . 0 0 "[ . 1 . 2]" 1
15 1 6 VAL HB 1 21 PHE HA 4.010 . 4.010 3.613 3.320 3.977 . 0 0 "[ . 1 . 2]" 1
16 1 6 VAL QG 1 21 PHE HA 4.160 . 4.160 2.585 1.988 2.914 . 0 0 "[ . 1 . 2]" 1
17 1 8 LYS QG 1 10 TYR HA 4.650 . 4.650 4.169 3.897 4.349 . 0 0 "[ . 1 . 2]" 1
18 1 67 ARG HA 1 67 ARG HB3 2.750 . 2.750 2.308 2.085 2.393 . 0 0 "[ . 1 . 2]" 1
19 1 66 LEU QB 1 67 ARG HA 3.240 . 3.240 2.589 2.265 3.123 . 0 0 "[ . 1 . 2]" 1
20 1 44 MET HB3 1 45 GLU HA 3.940 . 3.940 3.947 3.685 4.156 0.216 3 0 "[ . 1 . 2]" 1
21 1 40 GLU HG2 1 55 LYS HA 3.770 . 3.770 2.793 2.337 3.332 . 0 0 "[ . 1 . 2]" 1
22 1 8 LYS HA 1 8 LYS QG 3.230 . 3.230 2.936 2.739 3.034 . 0 0 "[ . 1 . 2]" 1
23 1 46 THR MG 1 51 LYS HA 4.580 . 4.580 3.296 2.854 3.671 . 0 0 "[ . 1 . 2]" 1
24 1 51 LYS HA 1 52 ILE MG 5.340 . 5.340 3.595 3.086 3.801 . 0 0 "[ . 1 . 2]" 1
25 1 17 LYS HA 1 17 LYS QE 5.160 . 5.160 4.850 4.060 5.155 . 0 0 "[ . 1 . 2]" 1
26 1 17 LYS HA 1 18 VAL HB 4.580 . 4.580 4.121 3.947 4.221 . 0 0 "[ . 1 . 2]" 1
27 1 20 VAL QG 1 58 GLU HA 4.620 . 4.620 5.022 4.538 5.482 0.862 18 8 "[ * *** *1 *- . + 2]" 1
28 1 3 MET HA 1 3 MET HB3 2.910 . 2.910 2.172 1.757 2.461 0.043 8 0 "[ . 1 . 2]" 1
29 1 1 VAL QG 1 3 MET HA 3.790 . 3.790 2.205 1.770 3.273 0.030 13 0 "[ . 1 . 2]" 1
30 1 28 MET HA 1 28 MET QG 3.590 . 3.590 2.445 2.354 2.516 . 0 0 "[ . 1 . 2]" 1
31 1 18 VAL QG 1 28 MET HA 4.700 . 4.700 2.996 2.785 3.186 . 0 0 "[ . 1 . 2]" 1
32 1 26 MET HA 1 26 MET QG 3.530 . 3.530 2.493 2.208 3.493 . 0 0 "[ . 1 . 2]" 1
33 1 20 VAL QG 1 26 MET HA 4.350 . 4.350 3.714 3.332 3.963 . 0 0 "[ . 1 . 2]" 1
34 1 54 MET HA 1 54 MET HG3 3.940 . 3.940 2.876 2.553 3.526 . 0 0 "[ . 1 . 2]" 1
35 1 53 ILE QG 1 54 MET HA 5.030 . 5.030 3.106 2.236 3.923 . 0 0 "[ . 1 . 2]" 1
36 1 18 VAL HB 1 19 HIS HA 4.110 . 4.110 4.144 4.039 4.205 0.095 15 0 "[ . 1 . 2]" 1
37 1 9 THR MG 1 19 HIS HA 4.100 . 4.100 3.205 2.989 3.291 . 0 0 "[ . 1 . 2]" 1
38 1 1 VAL QG 1 19 HIS HA 4.430 . 4.430 3.027 2.705 3.315 . 0 0 "[ . 1 . 2]" 1
39 1 38 MET HA 1 38 MET HG3 3.520 . 3.520 2.243 2.131 2.449 . 0 0 "[ . 1 . 2]" 1
40 1 47 ARG QB 1 48 ASP HA 4.060 . 4.060 3.508 2.789 3.873 . 0 0 "[ . 1 . 2]" 1
41 1 33 GLY HA3 1 34 LYS HA 3.860 . 3.860 3.855 3.664 3.940 0.080 9 0 "[ . 1 . 2]" 1
42 1 54 MET QG 1 57 ASN HA 5.140 . 5.140 3.406 2.592 4.465 . 0 0 "[ . 1 . 2]" 1
43 1 54 MET ME 1 57 ASN HA 4.290 . 4.290 2.530 1.798 3.777 0.002 6 0 "[ . 1 . 2]" 1
44 1 29 GLU HB3 1 33 GLY HA2 4.430 . 4.430 2.873 2.470 3.116 . 0 0 "[ . 1 . 2]" 1
45 1 26 MET QB 1 27 GLY HA2 3.880 . 3.880 3.720 3.659 3.884 0.004 10 0 "[ . 1 . 2]" 1
46 1 15 GLY HA3 1 31 LYS QD 4.510 . 4.510 3.176 2.191 3.635 . 0 0 "[ . 1 . 2]" 1
47 1 26 MET HA 1 27 GLY HA3 4.360 . 4.360 3.898 3.839 3.942 . 0 0 "[ . 1 . 2]" 1
48 1 26 MET QB 1 27 GLY HA3 4.320 . 4.320 4.391 4.321 4.482 0.162 14 0 "[ . 1 . 2]" 1
49 1 15 GLY HA2 1 31 LYS QD 4.670 . 4.670 4.626 3.569 4.810 0.140 7 0 "[ . 1 . 2]" 1
50 1 52 ILE MG 1 61 ARG QD 4.960 . 4.960 3.395 1.484 4.341 0.316 15 0 "[ . 1 . 2]" 1
51 1 61 ARG QD 1 64 GLU H 5.500 . 5.500 6.800 5.513 8.872 3.372 20 16 "[****. **** -* *****+]" 1
52 1 18 VAL HB 1 52 ILE HB 4.830 . 4.830 3.827 2.378 4.529 . 0 0 "[ . 1 . 2]" 1
53 1 17 LYS QE 1 17 LYS QG 2.910 . 2.910 2.108 1.901 2.475 . 0 0 "[ . 1 . 2]" 1
54 1 25 LYS QE 1 25 LYS HG2 3.220 . 3.220 2.334 2.057 2.860 . 0 0 "[ . 1 . 2]" 1
55 1 42 LYS QB 1 53 ILE HB 4.600 . 4.600 4.756 4.684 4.860 0.260 6 0 "[ . 1 . 2]" 1
56 1 43 VAL QG 1 60 PHE QB 4.860 . 4.860 3.875 3.573 4.256 . 0 0 "[ . 1 . 2]" 1
57 1 52 ILE MG 1 60 PHE QB 4.370 . 4.370 3.720 2.388 3.962 . 0 0 "[ . 1 . 2]" 1
58 1 31 LYS QE 1 32 PHE QE 3.720 . 3.720 2.677 2.168 3.879 0.159 5 0 "[ . 1 . 2]" 1
59 1 8 LYS HE2 1 8 LYS QG 3.400 . 3.400 2.474 2.336 2.887 . 0 0 "[ . 1 . 2]" 1
60 1 8 LYS HE3 1 8 LYS QG 3.390 . 3.390 2.525 2.302 3.323 . 0 0 "[ . 1 . 2]" 1
61 1 6 VAL HA 1 21 PHE HB3 5.100 . 5.100 3.753 3.445 3.998 . 0 0 "[ . 1 . 2]" 1
62 1 21 PHE HB3 1 22 LYS QB 4.760 . 4.760 4.182 3.853 4.563 . 0 0 "[ . 1 . 2]" 1
63 1 10 TYR HB2 1 12 LEU QD 5.500 . 5.500 3.529 3.323 3.776 . 0 0 "[ . 1 . 2]" 1
64 1 5 ASN HB2 1 22 LYS QE 4.380 . 4.380 3.953 2.197 4.603 0.223 6 0 "[ . 1 . 2]" 1
65 1 10 TYR HB3 1 12 LEU QD 5.240 . 5.240 3.125 2.733 3.428 . 0 0 "[ . 1 . 2]" 1
66 1 10 TYR HB3 1 12 LEU QD 5.100 . 5.100 3.050 2.723 3.280 . 0 0 "[ . 1 . 2]" 1
67 1 30 ASN HB3 1 34 LYS HG3 4.890 . 4.890 3.765 2.989 4.431 . 0 0 "[ . 1 . 2]" 1
68 1 30 ASN HB3 1 31 LYS HG2 5.150 . 5.150 4.629 4.129 4.974 . 0 0 "[ . 1 . 2]" 1
69 1 30 ASN HB2 1 36 MET HB3 5.500 . 5.500 4.376 3.112 5.292 . 0 0 "[ . 1 . 2]" 1
70 1 31 LYS QD 1 32 PHE HB2 5.030 . 5.030 3.441 2.899 5.341 0.311 20 0 "[ . 1 . 2]" 1
71 1 17 LYS QB 1 29 GLU QB 5.480 . 5.480 2.132 1.778 2.353 0.022 4 0 "[ . 1 . 2]" 1
72 1 18 VAL MG1 1 26 MET HB2 4.180 . 4.180 3.506 2.924 3.862 . 0 0 "[ . 1 . 2]" 1
73 1 20 VAL HA 1 26 MET QB 4.290 . 4.290 3.569 2.274 4.019 . 0 0 "[ . 1 . 2]" 1
74 1 18 VAL QG 1 28 MET HB3 4.440 . 4.440 4.187 3.962 4.441 0.001 3 0 "[ . 1 . 2]" 1
75 1 64 GLU HB2 1 64 GLU QG 2.400 . 2.400 2.062 1.963 2.164 . 0 0 "[ . 1 . 2]" 1
76 1 44 MET HB3 1 46 THR MG 5.250 . 5.250 4.093 3.049 5.109 . 0 0 "[ . 1 . 2]" 1
77 1 12 LEU QD 1 44 MET HB3 5.060 . 5.060 2.398 2.066 3.168 . 0 0 "[ . 1 . 2]" 1
78 1 8 LYS HB2 1 9 THR MG 4.210 . 4.210 3.473 2.963 3.658 . 0 0 "[ . 1 . 2]" 1
79 1 39 PRO HG2 1 42 LYS HB2 5.440 . 5.440 3.038 2.189 4.307 . 0 0 "[ . 1 . 2]" 1
80 1 7 VAL HB 1 8 LYS HB3 3.940 . 3.940 3.044 2.253 3.980 0.040 19 0 "[ . 1 . 2]" 1
81 1 17 LYS QB 1 29 GLU HB2 5.000 . 5.000 2.129 1.771 2.348 0.029 4 0 "[ . 1 . 2]" 1
82 1 17 LYS QB 1 29 GLU HB3 4.920 . 4.920 3.316 2.939 3.724 . 0 0 "[ . 1 . 2]" 1
83 1 1 VAL QG 1 19 HIS HB2 4.660 . 4.660 2.654 2.108 2.991 . 0 0 "[ . 1 . 2]" 1
84 1 1 VAL QG 1 19 HIS HB3 4.940 . 4.940 1.762 1.653 1.919 0.147 10 0 "[ . 1 . 2]" 1
85 1 6 VAL QG 1 19 HIS HB3 5.020 . 5.020 1.767 1.668 1.926 0.132 10 0 "[ . 1 . 2]" 1
86 1 6 VAL HB 1 21 PHE QD 4.000 . 4.000 3.178 2.319 3.924 . 0 0 "[ . 1 . 2]" 1
87 1 20 VAL HB 1 21 PHE HA 4.370 . 4.370 4.094 3.980 4.283 . 0 0 "[ . 1 . 2]" 1
88 1 20 VAL QG 1 26 MET HG2 3.910 . 3.910 2.834 2.257 4.079 0.169 7 0 "[ . 1 . 2]" 1
89 1 20 VAL QG 1 26 MET HG3 3.840 . 3.840 2.471 2.081 3.247 . 0 0 "[ . 1 . 2]" 1
90 1 3 MET HA 1 3 MET HG2 3.530 . 3.530 2.203 1.773 3.252 0.027 8 0 "[ . 1 . 2]" 1
91 1 31 LYS HB2 1 31 LYS QD 3.540 . 3.540 2.481 2.315 3.075 . 0 0 "[ . 1 . 2]" 1
92 1 11 ASP QB 1 47 ARG QB 4.130 . 4.130 2.773 1.960 3.545 . 0 0 "[ . 1 . 2]" 1
93 1 17 LYS QD 1 18 VAL HB 3.450 . 3.450 3.405 2.578 3.566 0.116 16 0 "[ . 1 . 2]" 1
94 1 42 LYS QB 1 42 LYS QD 2.400 . 2.400 2.390 2.262 2.687 0.287 10 0 "[ . 1 . 2]" 1
95 1 31 LYS HB3 1 31 LYS QD 2.850 . 2.850 2.371 2.182 2.855 0.005 6 0 "[ . 1 . 2]" 1
96 1 34 LYS HA 1 34 LYS QD 3.660 . 3.660 1.940 1.680 3.454 0.120 6 0 "[ . 1 . 2]" 1
97 1 42 LYS HG2 1 53 ILE QG 4.840 . 4.840 4.173 3.650 4.764 . 0 0 "[ . 1 . 2]" 1
98 1 39 PRO HG2 1 42 LYS QB 4.280 . 4.280 2.965 2.156 4.114 . 0 0 "[ . 1 . 2]" 1
99 1 67 ARG QG 1 68 LYS QG 3.260 . 3.260 2.438 1.544 3.373 0.256 20 0 "[ . 1 . 2]" 1
100 1 26 MET HB3 1 59 ILE HG12 4.750 . 4.750 3.357 2.207 4.702 . 0 0 "[ . 1 . 2]" 1
101 1 26 MET ME 1 59 ILE HG13 4.340 . 4.340 2.791 1.850 3.198 . 0 0 "[ . 1 . 2]" 1
102 1 52 ILE MG 1 61 ARG HG3 5.050 . 5.050 3.058 2.014 4.329 . 0 0 "[ . 1 . 2]" 1
103 1 67 ARG HA 1 67 ARG QG 3.740 . 3.740 2.630 2.268 3.317 . 0 0 "[ . 1 . 2]" 1
104 1 66 LEU HA 1 66 LEU HG 3.440 . 3.440 2.435 2.196 3.097 . 0 0 "[ . 1 . 2]" 1
105 1 6 VAL QG 1 22 LYS QG 4.210 . 4.210 2.699 1.700 4.123 0.100 1 0 "[ . 1 . 2]" 1
106 1 66 LEU HA 1 66 LEU QD . . 3.100 2.558 1.886 3.013 . 0 0 "[ . 1 . 2]" 1
107 1 18 VAL HB 1 52 ILE HG12 4.530 . 4.530 3.145 2.055 4.166 . 0 0 "[ . 1 . 2]" 1
108 1 67 ARG HA 1 68 LYS HG2 4.130 . 4.130 2.976 2.405 3.673 . 0 0 "[ . 1 . 2]" 1
109 1 42 LYS QB 1 42 LYS HG2 2.790 . 2.790 2.375 2.316 2.466 . 0 0 "[ . 1 . 2]" 1
110 1 43 VAL QG 1 53 ILE MD 4.140 . 4.140 2.478 2.196 2.849 . 0 0 "[ . 1 . 2]" 1
111 1 43 VAL QG 1 44 MET HB3 3.860 . 3.860 2.054 1.761 2.530 0.039 12 0 "[ . 1 . 2]" 1
112 1 9 THR MG 1 17 LYS QD 3.760 . 3.760 2.919 2.073 3.360 . 0 0 "[ . 1 . 2]" 1
113 1 12 LEU QD 1 46 THR MG 3.490 . 3.490 2.250 1.977 2.734 . 0 0 "[ . 1 . 2]" 1
114 1 9 THR MG 1 17 LYS QB 3.950 . 3.950 2.436 1.888 2.659 . 0 0 "[ . 1 . 2]" 1
115 1 6 VAL QG 1 9 THR HA 4.480 . 4.480 2.806 2.481 3.112 . 0 0 "[ . 1 . 2]" 1
116 1 3 MET HA 1 6 VAL QG 4.520 . 4.520 2.174 1.768 2.982 0.032 13 0 "[ . 1 . 2]" 1
117 1 18 VAL MG2 1 28 MET QG 3.730 . 3.730 2.430 2.028 2.827 . 0 0 "[ . 1 . 2]" 1
118 1 7 VAL QG 1 20 VAL QG 2.940 . 2.940 2.293 1.737 2.457 0.063 19 0 "[ . 1 . 2]" 1
119 1 9 THR HA 1 20 VAL QG 4.610 . 4.610 3.469 3.334 3.550 . 0 0 "[ . 1 . 2]" 1
120 1 20 VAL QG 1 26 MET QG 3.740 . 3.740 2.291 1.943 3.127 . 0 0 "[ . 1 . 2]" 1
121 1 9 THR MG 1 18 VAL MG1 2.950 . 2.950 2.843 2.473 3.009 0.059 16 0 "[ . 1 . 2]" 1
122 1 50 THR MG 1 52 ILE MG 4.120 . 4.120 3.081 2.038 4.686 0.566 8 2 "[ . + 1 . - 2]" 1
123 1 10 TYR HB3 1 18 VAL MG1 3.960 . 3.960 3.639 3.231 3.960 0.000 19 0 "[ . 1 . 2]" 1
124 1 7 VAL QG 1 20 VAL QG 3.170 . 3.170 2.432 1.760 2.690 0.040 19 0 "[ . 1 . 2]" 1
125 1 1 VAL QG 1 3 MET HA 4.220 . 4.220 3.603 2.629 4.177 . 0 0 "[ . 1 . 2]" 1
126 1 7 VAL QG 1 8 LYS HB3 3.630 . 3.630 2.364 1.692 3.178 0.108 1 0 "[ . 1 . 2]" 1
127 1 40 GLU HA 1 54 MET ME 3.230 . 3.230 2.220 1.798 2.885 0.002 6 0 "[ . 1 . 2]" 1
128 1 40 GLU HG2 1 54 MET ME 3.060 . 3.060 2.637 2.428 3.260 0.200 12 0 "[ . 1 . 2]" 1
129 1 28 MET ME 1 28 MET QG 2.800 . 2.800 2.228 2.216 2.244 . 0 0 "[ . 1 . 2]" 1
130 1 28 MET ME 1 36 MET ME 2.560 . 2.560 2.442 1.801 2.760 0.200 3 0 "[ . 1 . 2]" 1
131 1 12 LEU QD 1 44 MET ME 3.420 . 3.420 2.595 2.023 3.312 . 0 0 "[ . 1 . 2]" 1
132 1 20 VAL QG 1 59 ILE MG 5.090 . 5.090 2.167 1.772 3.374 0.028 7 0 "[ . 1 . 2]" 1
133 1 38 MET HB3 1 38 MET ME 3.070 . 3.070 2.837 1.929 3.223 0.153 9 0 "[ . 1 . 2]" 1
134 1 26 MET ME 1 26 MET QG 2.990 . 2.990 2.463 2.379 2.552 . 0 0 "[ . 1 . 2]" 1
135 1 20 VAL QG 1 26 MET ME 3.100 . 3.100 2.776 1.847 3.216 0.116 12 0 "[ . 1 . 2]" 1
136 1 10 TYR QE 1 52 ILE MG 4.400 . 4.400 3.636 3.041 4.586 0.186 19 0 "[ . 1 . 2]" 1
137 1 52 ILE HA 1 52 ILE MG 3.680 . 3.680 2.350 2.272 2.563 . 0 0 "[ . 1 . 2]" 1
138 1 52 ILE MG 1 61 ARG HA 3.950 . 3.950 2.085 1.928 2.840 . 0 0 "[ . 1 . 2]" 1
139 1 52 ILE MG 1 61 ARG HG2 4.650 . 4.650 2.989 1.803 4.126 . 0 0 "[ . 1 . 2]" 1
140 1 46 THR MG 1 52 ILE MG 3.640 . 3.640 2.218 1.949 2.337 . 0 0 "[ . 1 . 2]" 1
141 1 52 ILE MD 1 52 ILE MG 3.590 . 3.590 1.985 1.959 2.020 . 0 0 "[ . 1 . 2]" 1
142 1 52 ILE MG 1 61 ARG QB 4.530 . 4.530 2.956 1.932 3.597 . 0 0 "[ . 1 . 2]" 1
143 1 54 MET QG 1 59 ILE MD 4.210 . 4.210 3.884 3.502 4.282 0.072 11 0 "[ . 1 . 2]" 1
144 1 18 VAL HB 1 59 ILE MD 3.560 . 3.560 2.269 1.794 2.999 0.006 3 0 "[ . 1 . 2]" 1
145 1 52 ILE MG 1 62 LEU H 4.800 . 4.800 2.509 1.897 3.042 . 0 0 "[ . 1 . 2]" 1
146 1 61 ARG QD 1 62 LEU H 5.500 . 5.500 3.927 2.018 5.438 . 0 0 "[ . 1 . 2]" 1
147 1 60 PHE QB 1 62 LEU H 5.500 . 5.500 4.511 3.902 4.822 . 0 0 "[ . 1 . 2]" 1
148 1 44 MET H 1 53 ILE MD 5.500 . 5.500 4.214 3.864 4.420 . 0 0 "[ . 1 . 2]" 1
149 1 43 VAL H 1 44 MET H 5.280 . 5.280 4.116 4.026 4.231 . 0 0 "[ . 1 . 2]" 1
150 1 12 LEU QD 1 44 MET H 4.720 . 4.720 3.474 3.257 3.672 . 0 0 "[ . 1 . 2]" 1
151 1 12 LEU QD 1 44 MET H 5.500 . 5.500 4.277 4.002 4.645 . 0 0 "[ . 1 . 2]" 1
152 1 53 ILE MD 1 54 MET H 5.030 . 5.030 3.136 1.720 3.556 0.080 4 0 "[ . 1 . 2]" 1
153 1 41 GLY H 1 43 VAL H 5.330 . 5.330 4.364 4.313 4.405 . 0 0 "[ . 1 . 2]" 1
154 1 42 LYS QB 1 43 VAL H 5.050 . 5.050 3.197 2.824 3.458 . 0 0 "[ . 1 . 2]" 1
155 1 43 VAL H 1 53 ILE MD 5.480 . 5.480 3.791 3.234 4.560 . 0 0 "[ . 1 . 2]" 1
156 1 52 ILE MG 1 60 PHE H 5.080 . 5.080 3.276 3.005 3.514 . 0 0 "[ . 1 . 2]" 1
157 1 53 ILE MD 1 60 PHE H 4.930 . 4.930 3.189 2.746 3.514 . 0 0 "[ . 1 . 2]" 1
158 1 20 VAL HB 1 21 PHE H 4.160 . 4.160 3.810 3.354 3.939 . 0 0 "[ . 1 . 2]" 1
159 1 63 ASP QB 1 64 GLU H 3.800 . 3.800 2.544 1.783 3.659 0.017 13 0 "[ . 1 . 2]" 1
160 1 10 TYR H 1 11 ASP H 4.730 . 4.730 3.968 3.818 4.066 . 0 0 "[ . 1 . 2]" 1
161 1 9 THR HA 1 10 TYR H 3.510 . 3.510 2.167 2.110 2.240 . 0 0 "[ . 1 . 2]" 1
162 1 8 LYS HG2 1 10 TYR H 4.980 . 4.980 3.837 3.694 3.979 . 0 0 "[ . 1 . 2]" 1
163 1 40 GLU HA 1 55 LYS H 5.350 . 5.350 4.700 4.454 5.032 . 0 0 "[ . 1 . 2]" 1
164 1 40 GLU HG2 1 55 LYS H 4.380 . 4.380 3.271 2.888 3.577 . 0 0 "[ . 1 . 2]" 1
165 1 53 ILE MD 1 55 LYS H 5.500 . 5.500 3.835 3.254 4.457 . 0 0 "[ . 1 . 2]" 1
166 1 19 HIS H 1 26 MET HA 4.060 . 4.060 3.441 3.270 3.566 . 0 0 "[ . 1 . 2]" 1
167 1 10 TYR HA 1 19 HIS H 5.500 . 5.500 4.557 4.446 4.624 . 0 0 "[ . 1 . 2]" 1
168 1 18 VAL HB 1 19 HIS H 4.450 . 4.450 3.568 3.308 4.026 . 0 0 "[ . 1 . 2]" 1
169 1 1 VAL QG 1 19 HIS H 5.190 . 5.190 4.300 4.115 4.396 . 0 0 "[ . 1 . 2]" 1
170 1 6 VAL QG 1 19 HIS H 5.500 . 5.500 4.447 4.344 4.543 . 0 0 "[ . 1 . 2]" 1
171 1 8 LYS HG2 1 11 ASP H 5.500 . 5.500 4.196 3.863 4.383 . 0 0 "[ . 1 . 2]" 1
172 1 39 PRO HD3 1 40 GLU H 5.500 . 5.500 5.182 4.971 5.282 . 0 0 "[ . 1 . 2]" 1
173 1 2 ASP H 1 3 MET H 3.600 . 3.600 2.452 2.068 2.732 . 0 0 "[ . 1 . 2]" 1
174 1 3 MET H 1 3 MET HB3 3.280 . 3.280 3.571 3.130 3.764 0.484 10 0 "[ . 1 . 2]" 1
175 1 1 VAL QG 1 3 MET H 4.690 . 4.690 3.599 1.574 4.181 0.226 15 0 "[ . 1 . 2]" 1
176 1 16 SER HA 1 29 GLU H 4.030 . 4.030 3.434 3.186 3.596 . 0 0 "[ . 1 . 2]" 1
177 1 28 MET QG 1 29 GLU H 3.820 . 3.820 2.620 2.388 3.772 . 0 0 "[ . 1 . 2]" 1
178 1 29 GLU H 1 36 MET HB3 5.500 . 5.500 5.187 4.045 5.564 0.064 14 0 "[ . 1 . 2]" 1
179 1 28 MET HB2 1 29 GLU H 4.170 . 4.170 3.742 3.509 3.936 . 0 0 "[ . 1 . 2]" 1
180 1 17 LYS QB 1 29 GLU H 4.840 . 4.840 3.180 2.879 3.515 . 0 0 "[ . 1 . 2]" 1
181 1 29 GLU H 1 30 ASN HA 5.340 . 5.340 4.242 4.128 4.434 . 0 0 "[ . 1 . 2]" 1
182 1 7 VAL H 1 8 LYS HA 5.330 . 5.330 4.534 4.312 4.650 . 0 0 "[ . 1 . 2]" 1
183 1 6 VAL HB 1 7 VAL H 3.960 . 3.960 3.218 2.501 3.446 . 0 0 "[ . 1 . 2]" 1
184 1 7 VAL H 1 8 LYS HB3 5.500 . 5.500 3.759 2.660 4.515 . 0 0 "[ . 1 . 2]" 1
185 1 7 VAL H 1 20 VAL QG 5.500 . 5.500 4.106 3.306 4.362 . 0 0 "[ . 1 . 2]" 1
186 1 6 VAL QG 1 7 VAL H 3.870 . 3.870 1.931 1.796 2.239 0.004 18 0 "[ . 1 . 2]" 1
187 1 11 ASP H 1 12 LEU H 4.690 . 4.690 4.032 3.989 4.081 . 0 0 "[ . 1 . 2]" 1
188 1 12 LEU H 1 13 GLN HA 5.500 . 5.500 4.567 3.646 4.860 . 0 0 "[ . 1 . 2]" 1
189 1 10 TYR HB2 1 12 LEU H 4.510 . 4.510 3.380 3.121 3.654 . 0 0 "[ . 1 . 2]" 1
190 1 12 LEU H 1 17 LYS QB 5.090 . 5.090 3.760 3.134 4.101 . 0 0 "[ . 1 . 2]" 1
191 1 12 LEU H 1 17 LYS QB 5.500 . 5.500 4.217 3.956 4.661 . 0 0 "[ . 1 . 2]" 1
192 1 67 ARG HA 1 68 LYS H 2.800 . 2.800 2.726 2.020 2.814 0.014 1 0 "[ . 1 . 2]" 1
193 1 67 ARG HB3 1 68 LYS H 3.160 . 3.160 2.483 1.978 3.399 0.239 20 0 "[ . 1 . 2]" 1
194 1 67 ARG QG 1 68 LYS H 4.210 . 4.210 2.863 1.690 3.607 0.110 2 0 "[ . 1 . 2]" 1
195 1 68 LYS H 1 68 LYS QG 4.120 . 4.120 2.606 1.973 3.324 . 0 0 "[ . 1 . 2]" 1
196 1 45 GLU H 1 46 THR H 5.280 . 5.280 4.177 4.117 4.279 . 0 0 "[ . 1 . 2]" 1
197 1 12 LEU QD 1 45 GLU H 5.190 . 5.190 3.692 3.327 4.695 . 0 0 "[ . 1 . 2]" 1
198 1 46 THR MG 1 51 LYS H 4.470 . 4.470 4.480 4.164 4.604 0.134 17 0 "[ . 1 . 2]" 1
199 1 51 LYS H 1 52 ILE MG 4.670 . 4.670 3.954 3.767 4.205 . 0 0 "[ . 1 . 2]" 1
200 1 6 VAL HB 1 9 THR H 5.460 . 5.460 5.251 4.988 5.571 0.111 19 0 "[ . 1 . 2]" 1
201 1 9 THR H 1 9 THR MG 4.200 . 4.200 3.672 3.498 3.721 . 0 0 "[ . 1 . 2]" 1
202 1 8 LYS QG 1 9 THR H 3.530 . 3.530 2.756 2.396 3.094 . 0 0 "[ . 1 . 2]" 1
203 1 6 VAL QG 1 9 THR H 4.790 . 4.790 3.494 3.126 3.866 . 0 0 "[ . 1 . 2]" 1
204 1 4 SER HA 1 6 VAL H 4.130 . 4.130 3.774 3.468 4.119 . 0 0 "[ . 1 . 2]" 1
205 1 1 VAL QG 1 6 VAL H 3.870 . 3.870 2.310 1.999 2.984 . 0 0 "[ . 1 . 2]" 1
206 1 61 ARG H 1 61 ARG QD 5.500 . 5.500 4.606 4.247 5.110 . 0 0 "[ . 1 . 2]" 1
207 1 60 PHE QB 1 61 ARG H 4.660 . 4.660 3.496 3.162 3.640 . 0 0 "[ . 1 . 2]" 1
208 1 61 ARG H 1 61 ARG HG3 4.730 . 4.730 4.157 2.662 4.578 . 0 0 "[ . 1 . 2]" 1
209 1 11 ASP QB 1 47 ARG H 4.920 . 4.920 3.145 2.779 3.418 . 0 0 "[ . 1 . 2]" 1
210 1 10 TYR HA 1 47 ARG H 5.500 . 5.500 4.955 4.748 5.217 . 0 0 "[ . 1 . 2]" 1
211 1 19 HIS H 1 20 VAL H 4.910 . 4.910 3.826 3.792 3.864 . 0 0 "[ . 1 . 2]" 1
212 1 9 THR HA 1 20 VAL H 3.320 . 3.320 2.099 2.058 2.133 . 0 0 "[ . 1 . 2]" 1
213 1 7 VAL QG 1 20 VAL H 4.750 . 4.750 3.494 3.377 3.692 . 0 0 "[ . 1 . 2]" 1
214 1 1 VAL QG 1 20 VAL H 4.230 . 4.230 2.864 2.649 3.208 . 0 0 "[ . 1 . 2]" 1
215 1 6 VAL QG 1 20 VAL H 5.400 . 5.400 2.937 2.692 3.356 . 0 0 "[ . 1 . 2]" 1
216 1 27 GLY H 1 28 MET H 4.060 . 4.060 3.918 3.890 3.944 . 0 0 "[ . 1 . 2]" 1
217 1 26 MET H 1 28 MET H 5.500 . 5.500 3.746 3.309 4.394 . 0 0 "[ . 1 . 2]" 1
218 1 28 MET H 1 28 MET QG 4.710 . 4.710 4.063 3.967 4.192 . 0 0 "[ . 1 . 2]" 1
219 1 12 LEU HB3 1 13 GLN H 3.630 . 3.630 2.572 2.041 3.384 . 0 0 "[ . 1 . 2]" 1
220 1 30 ASN H 1 36 MET H 4.610 . 4.610 4.454 4.063 4.640 0.030 10 0 "[ . 1 . 2]" 1
221 1 36 MET H 1 36 MET HB3 4.190 . 4.190 3.389 3.170 3.659 . 0 0 "[ . 1 . 2]" 1
222 1 40 GLU HA 1 56 GLY H 5.120 . 5.120 4.615 4.451 4.759 . 0 0 "[ . 1 . 2]" 1
223 1 55 LYS QE 1 56 GLY H 5.250 . 5.250 3.849 2.492 4.857 . 0 0 "[ . 1 . 2]" 1
224 1 40 GLU HB2 1 56 GLY H 5.500 . 5.500 4.189 3.582 4.826 . 0 0 "[ . 1 . 2]" 1
225 1 8 LYS H 1 9 THR HA 4.900 . 4.900 4.105 3.948 4.246 . 0 0 "[ . 1 . 2]" 1
226 1 7 VAL HB 1 8 LYS H 3.570 . 3.570 3.285 2.923 3.730 0.160 19 0 "[ . 1 . 2]" 1
227 1 8 LYS H 1 20 VAL QG 4.610 . 4.610 3.987 2.586 4.359 . 0 0 "[ . 1 . 2]" 1
228 1 7 VAL QG 1 8 LYS H 4.130 . 4.130 2.454 2.290 2.660 . 0 0 "[ . 1 . 2]" 1
229 1 6 VAL QG 1 8 LYS H 3.570 . 3.570 1.941 1.742 2.221 0.058 2 0 "[ . 1 . 2]" 1
230 1 5 ASN HB2 1 22 LYS H 3.920 . 3.920 3.356 3.096 3.719 . 0 0 "[ . 1 . 2]" 1
231 1 6 VAL QG 1 22 LYS H 4.580 . 4.580 3.109 2.861 3.605 . 0 0 "[ . 1 . 2]" 1
232 1 64 GLU HA 1 67 ARG H 3.950 . 3.950 3.063 2.506 3.493 . 0 0 "[ . 1 . 2]" 1
233 1 66 LEU QB 1 67 ARG H 3.500 . 3.500 2.907 1.790 3.487 0.010 12 0 "[ . 1 . 2]" 1
234 1 9 THR HA 1 18 VAL H 5.090 . 5.090 4.244 4.022 4.361 . 0 0 "[ . 1 . 2]" 1
235 1 17 LYS QB 1 18 VAL H 4.240 . 4.240 2.965 2.683 3.163 . 0 0 "[ . 1 . 2]" 1
236 1 42 LYS H 1 42 LYS QB 3.660 . 3.660 2.405 2.283 2.553 . 0 0 "[ . 1 . 2]" 1
237 1 30 ASN HA 1 34 LYS H 5.150 . 5.150 4.435 4.110 4.530 . 0 0 "[ . 1 . 2]" 1
238 1 30 ASN HB3 1 34 LYS H 4.310 . 4.310 3.864 2.384 4.224 . 0 0 "[ . 1 . 2]" 1
239 1 29 GLU HB3 1 34 LYS H 3.350 . 3.350 3.059 2.733 3.346 . 0 0 "[ . 1 . 2]" 1
240 1 17 LYS QB 1 34 LYS H 5.500 . 5.500 5.550 5.455 5.670 0.170 5 0 "[ . 1 . 2]" 1
241 1 54 MET ME 1 59 ILE H 5.040 . 5.040 3.832 3.545 4.225 . 0 0 "[ . 1 . 2]" 1
242 1 20 VAL QG 1 59 ILE H 4.810 . 4.810 4.647 4.232 4.906 0.096 13 0 "[ . 1 . 2]" 1
243 1 30 ASN H 1 31 LYS H 4.610 . 4.610 4.062 3.831 4.152 . 0 0 "[ . 1 . 2]" 1
244 1 30 ASN H 1 31 LYS HA 4.500 . 4.500 4.686 4.361 4.783 0.283 6 0 "[ . 1 . 2]" 1
245 1 30 ASN H 1 36 MET HB3 5.310 . 5.310 4.142 3.015 4.870 . 0 0 "[ . 1 . 2]" 1
246 1 29 GLU HB3 1 30 ASN H 3.630 . 3.630 2.770 2.603 2.979 . 0 0 "[ . 1 . 2]" 1
247 1 30 ASN H 1 31 LYS QD 5.500 . 5.500 4.845 3.120 5.606 0.106 11 0 "[ . 1 . 2]" 1
248 1 36 MET HB3 1 37 ASN H 3.680 . 3.680 2.743 1.998 3.338 . 0 0 "[ . 1 . 2]" 1
249 1 11 ASP HA 1 17 LYS H 4.340 . 4.340 3.524 3.217 4.026 . 0 0 "[ . 1 . 2]" 1
250 1 17 LYS H 1 17 LYS QE 5.480 . 5.480 4.958 4.077 5.537 0.057 1 0 "[ . 1 . 2]" 1
251 1 17 LYS H 1 28 MET QG 5.340 . 5.340 3.794 3.385 5.350 0.010 3 0 "[ . 1 . 2]" 1
252 1 12 LEU HB3 1 17 LYS H 4.730 . 4.730 4.155 3.860 4.521 . 0 0 "[ . 1 . 2]" 1
253 1 17 LYS H 1 29 GLU QB 5.500 . 5.500 2.923 2.418 3.171 . 0 0 "[ . 1 . 2]" 1
254 1 17 LYS H 1 17 LYS QB 3.760 . 3.760 2.364 2.258 2.435 . 0 0 "[ . 1 . 2]" 1
255 1 12 LEU QD 1 17 LYS H 5.500 . 5.500 4.066 3.074 4.462 . 0 0 "[ . 1 . 2]" 1
256 1 69 GLY H 1 70 HIS H 4.100 . 4.100 2.700 1.798 4.025 0.002 4 0 "[ . 1 . 2]" 1
257 1 3 MET HB3 1 5 ASN H 4.000 . 4.000 3.953 2.721 4.172 0.172 9 0 "[ . 1 . 2]" 1
258 1 1 VAL QG 1 5 ASN H 5.040 . 5.040 3.322 2.915 3.676 . 0 0 "[ . 1 . 2]" 1
259 1 30 ASN HB3 1 32 PHE H 3.510 . 3.510 3.388 2.700 3.526 0.016 16 0 "[ . 1 . 2]" 1
260 1 31 LYS QD 1 32 PHE H 5.080 . 5.080 4.451 4.048 4.786 . 0 0 "[ . 1 . 2]" 1
261 1 63 ASP H 1 66 LEU H 4.910 . 4.910 3.511 2.276 4.209 . 0 0 "[ . 1 . 2]" 1
262 1 64 GLU HA 1 66 LEU H 3.450 . 3.450 3.302 2.940 3.485 0.035 15 0 "[ . 1 . 2]" 1
263 1 63 ASP QB 1 66 LEU H 5.210 . 5.210 4.732 3.819 5.141 . 0 0 "[ . 1 . 2]" 1
264 1 43 VAL QG 1 53 ILE H 5.500 . 5.500 3.481 2.941 3.767 . 0 0 "[ . 1 . 2]" 1
265 1 52 ILE MG 1 53 ILE H 4.350 . 4.350 3.442 3.215 3.799 . 0 0 "[ . 1 . 2]" 1
266 1 3 MET HG3 1 4 SER H 4.530 . 4.530 4.463 3.998 4.689 0.159 12 0 "[ . 1 . 2]" 1
267 1 3 MET HB3 1 4 SER H 3.930 . 3.930 4.047 3.757 4.200 0.270 1 0 "[ . 1 . 2]" 1
268 1 1 VAL QG 1 4 SER H 5.310 . 5.310 3.665 2.461 4.301 . 0 0 "[ . 1 . 2]" 1
269 1 31 LYS H 1 31 LYS QD 4.420 . 4.420 3.773 3.328 4.366 . 0 0 "[ . 1 . 2]" 1
270 1 12 LEU HB2 1 16 SER H 4.370 . 4.370 2.574 2.277 2.798 . 0 0 "[ . 1 . 2]" 1
271 1 16 SER H 1 17 LYS QB 5.260 . 5.260 3.275 2.956 4.081 . 0 0 "[ . 1 . 2]" 1
272 1 26 MET H 1 26 MET QG 3.760 . 3.760 3.680 3.202 3.984 0.224 20 0 "[ . 1 . 2]" 1
273 1 25 LYS HB3 1 26 MET H 3.060 . 3.060 2.104 1.820 3.329 0.269 19 0 "[ . 1 . 2]" 1
274 1 20 VAL QG 1 26 MET H 5.500 . 5.500 5.056 4.512 5.316 . 0 0 "[ . 1 . 2]" 1
275 1 45 GLU HA 1 50 THR H 4.920 . 4.920 4.341 4.016 4.647 . 0 0 "[ . 1 . 2]" 1
276 1 12 LEU H 1 46 THR H 5.490 . 5.490 4.435 4.389 4.479 . 0 0 "[ . 1 . 2]" 1
277 1 12 LEU HA 1 46 THR H 4.740 . 4.740 4.235 3.972 4.493 . 0 0 "[ . 1 . 2]" 1
278 1 46 THR H 1 47 ARG HA 5.500 . 5.500 4.297 3.605 5.075 . 0 0 "[ . 1 . 2]" 1
279 1 12 LEU QD 1 46 THR H 5.180 . 5.180 4.195 3.641 4.931 . 0 0 "[ . 1 . 2]" 1
280 1 54 MET ME 1 58 GLU H 4.310 . 4.310 2.820 2.166 3.187 . 0 0 "[ . 1 . 2]" 1
281 1 12 LEU HB3 1 14 ASP H 3.500 . 3.500 2.824 2.261 3.158 . 0 0 "[ . 1 . 2]" 1
282 1 43 VAL HB 1 52 ILE H 4.330 . 4.330 3.530 3.315 3.831 . 0 0 "[ . 1 . 2]" 1
283 1 44 MET HB3 1 52 ILE H 4.260 . 4.260 3.031 2.839 3.220 . 0 0 "[ . 1 . 2]" 1
284 1 46 THR MG 1 52 ILE H 4.170 . 4.170 2.335 2.212 2.562 . 0 0 "[ . 1 . 2]" 1
285 1 43 VAL QG 1 52 ILE H 4.370 . 4.370 2.572 2.424 2.715 . 0 0 "[ . 1 . 2]" 1
286 1 52 ILE H 1 52 ILE MG 4.780 . 4.780 2.983 2.469 3.179 . 0 0 "[ . 1 . 2]" 1
287 1 13 GLN HA 1 48 ASP H 4.740 . 4.740 4.672 4.399 4.864 0.124 18 0 "[ . 1 . 2]" 1
288 1 11 ASP QB 1 48 ASP H 3.880 . 3.880 2.433 2.155 2.766 . 0 0 "[ . 1 . 2]" 1
289 1 55 LYS HA 1 57 ASN H 4.690 . 4.690 3.710 3.327 4.835 0.145 11 0 "[ . 1 . 2]" 1
290 1 54 MET ME 1 57 ASN H 5.090 . 5.090 3.279 2.450 3.928 . 0 0 "[ . 1 . 2]" 1
291 1 41 GLY H 1 42 LYS HA 5.340 . 5.340 3.667 3.270 4.771 . 0 0 "[ . 1 . 2]" 1
292 1 30 ASN QD 1 31 LYS HB2 5.500 . 5.500 4.250 3.089 4.899 . 0 0 "[ . 1 . 2]" 1
293 1 19 HIS HB2 1 27 GLY H 4.130 . 4.130 2.965 2.634 3.296 . 0 0 "[ . 1 . 2]" 1
294 1 26 MET QB 1 27 GLY H 3.540 . 3.540 2.800 2.599 3.043 . 0 0 "[ . 1 . 2]" 1
295 1 20 VAL QG 1 27 GLY H 5.290 . 5.290 4.685 4.179 5.067 . 0 0 "[ . 1 . 2]" 1
296 1 7 VAL QG 1 24 GLY H 5.450 . 5.450 4.140 3.896 4.493 . 0 0 "[ . 1 . 2]" 1
297 1 30 ASN HB3 1 33 GLY H 4.370 . 4.370 4.030 3.156 4.205 . 0 0 "[ . 1 . 2]" 1
298 1 22 LYS QB 1 24 GLY H 4.360 . 4.360 3.496 3.312 3.690 . 0 0 "[ . 1 . 2]" 1
299 1 22 LYS QG 1 24 GLY H 4.990 . 4.990 4.372 3.879 4.869 . 0 0 "[ . 1 . 2]" 1
300 1 13 GLN HA 1 15 GLY H 4.380 . 4.380 3.918 3.512 4.770 0.390 18 0 "[ . 1 . 2]" 1
301 1 47 ARG HA 1 49 GLY H 4.540 . 4.540 3.821 3.636 4.185 . 0 0 "[ . 1 . 2]" 1
302 1 46 THR H 1 49 GLY H 5.050 . 5.050 3.396 3.120 3.723 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 813
_Distance_constraint_stats_list.Viol_count 1587
_Distance_constraint_stats_list.Viol_total 6612.162
_Distance_constraint_stats_list.Viol_max 5.647
_Distance_constraint_stats_list.Viol_rms 0.1651
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0203
_Distance_constraint_stats_list.Viol_average_violations_only 0.2083
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 VAL 3.440 0.217 1 0 "[ . 1 . 2]"
1 2 ASP 1.057 0.419 4 0 "[ . 1 . 2]"
1 3 MET 3.335 0.419 4 0 "[ . 1 . 2]"
1 4 SER 1.740 0.267 15 0 "[ . 1 . 2]"
1 5 ASN 9.151 0.249 18 0 "[ . 1 . 2]"
1 6 VAL 2.982 0.356 15 0 "[ . 1 . 2]"
1 7 VAL 6.518 2.717 20 2 "[ . - 1 . +]"
1 8 LYS 4.477 0.347 10 0 "[ . 1 . 2]"
1 9 THR 10.324 0.727 3 2 "[ + . 1 . -2]"
1 10 TYR 7.699 0.455 9 0 "[ . 1 . 2]"
1 11 ASP 5.894 0.455 9 0 "[ . 1 . 2]"
1 12 LEU 5.528 0.315 3 0 "[ . 1 . 2]"
1 13 GLN 7.494 0.981 10 3 "[ . +* . - 2]"
1 14 ASP 4.693 0.383 11 0 "[ . 1 . 2]"
1 15 GLY 8.591 0.673 3 2 "[ + .- 1 . 2]"
1 16 SER 4.960 0.398 14 0 "[ . 1 . 2]"
1 17 LYS 3.318 0.727 3 2 "[ + . 1 . -2]"
1 18 VAL 4.480 0.217 1 0 "[ . 1 . 2]"
1 19 HIS 13.840 0.446 20 0 "[ . 1 . 2]"
1 20 VAL 0.664 0.087 3 0 "[ . 1 . 2]"
1 21 PHE 18.119 0.446 20 0 "[ . 1 . 2]"
1 22 LYS 4.051 0.250 12 0 "[ . 1 . 2]"
1 23 ASP 9.608 0.937 19 1 "[ . 1 . +2]"
1 24 GLY 10.188 0.962 19 1 "[ . 1 . +2]"
1 25 LYS 6.056 0.962 19 1 "[ . 1 . +2]"
1 26 MET 6.891 0.416 16 0 "[ . 1 . 2]"
1 27 GLY 1.590 0.149 10 0 "[ . 1 . 2]"
1 28 MET 0.945 0.078 15 0 "[ . 1 . 2]"
1 29 GLU 5.071 0.154 6 0 "[ . 1 . 2]"
1 30 ASN 6.255 0.902 20 2 "[ . - 1 . +]"
1 31 LYS 9.963 0.673 3 4 "[ +-.* * 1 . 2]"
1 32 PHE 7.980 0.902 20 4 "[ -. ** 1 . +]"
1 33 GLY 5.256 0.317 7 0 "[ . 1 . 2]"
1 34 LYS 12.432 0.724 20 6 "[ ** *1 * - +]"
1 35 SER 10.292 0.724 20 3 "[ *. 1 - +]"
1 36 MET 1.338 0.398 14 0 "[ . 1 . 2]"
1 37 ASN 4.014 0.438 14 0 "[ . 1 . 2]"
1 38 MET 3.878 0.754 8 1 "[ . + 1 . 2]"
1 39 PRO 2.734 0.754 8 1 "[ . + 1 . 2]"
1 40 GLU 0.752 0.105 7 0 "[ . 1 . 2]"
1 41 GLY 3.584 0.580 9 1 "[ . +1 . 2]"
1 42 LYS 3.717 0.580 9 1 "[ . +1 . 2]"
1 43 VAL 2.313 0.514 4 1 "[ +. 1 . 2]"
1 44 MET 0.411 0.131 19 0 "[ . 1 . 2]"
1 45 GLU 2.567 0.270 16 0 "[ . 1 . 2]"
1 46 THR 14.672 1.524 5 14 "[** +*- ******* * *]"
1 47 ARG 68.989 5.647 5 20 [****+*****-*********]
1 48 ASP 43.270 5.014 14 20 [*******-*****+******]
1 49 GLY 10.411 2.728 5 5 "[* + * 1 - *. 2]"
1 50 THR 131.393 5.647 5 20 [****+*-*************]
1 51 LYS 1.700 0.817 7 2 "[ . + 1 - 2]"
1 52 ILE 6.845 0.704 7 2 "[ . + 1 . - 2]"
1 53 ILE 9.518 0.514 4 1 "[ +. 1 . 2]"
1 54 MET 12.558 0.736 10 6 "[* . +* *-* 2]"
1 55 LYS 0.624 0.120 11 0 "[ . 1 . 2]"
1 56 GLY 1.848 0.156 17 0 "[ . 1 . 2]"
1 57 ASN 1.632 0.240 11 0 "[ . 1 . 2]"
1 58 GLU 4.789 0.259 4 0 "[ . 1 . 2]"
1 59 ILE 14.591 0.736 10 8 "[* . * +* *-* * 2]"
1 60 PHE 9.044 1.592 20 1 "[ . 1 . +]"
1 61 ARG 7.583 0.962 16 5 "[ . * 1 * *+- 2]"
1 62 LEU 16.984 1.880 1 8 "[+** . *1 -* * *]"
1 63 ASP 4.550 1.592 20 1 "[ . 1 . +]"
1 64 GLU 15.943 1.564 20 9 "[ * . *** * . -**+]"
1 65 ALA 5.388 2.717 20 2 "[ . - 1 . +]"
1 66 LEU 6.719 1.880 1 4 "[+ * . -1 . * 2]"
1 67 ARG 4.538 0.928 10 2 "[ . + . -2]"
1 68 LYS 2.258 0.281 2 0 "[ . 1 . 2]"
1 69 GLY 1.562 0.227 13 0 "[ . 1 . 2]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.299 0.116 10 0 "[ . 1 . 2]"
1 72 GLU 0.640 0.340 14 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 VAL QG 1 2 ASP H 4.910 . 4.910 2.561 1.833 3.221 . 0 0 "[ . 1 . 2]" 2
2 1 1 VAL QG 1 3 MET ME 3.190 . 3.190 2.763 1.823 3.311 0.121 3 0 "[ . 1 . 2]" 2
3 1 1 VAL QG 1 18 VAL HA 5.500 . 5.500 5.614 5.400 5.717 0.217 1 0 "[ . 1 . 2]" 2
4 1 1 VAL QG 1 6 VAL QG 4.500 . 4.500 2.784 1.940 4.010 . 0 0 "[ . 1 . 2]" 2
5 1 2 ASP HA 1 3 MET H 2.820 . 2.820 2.289 2.095 3.239 0.419 4 0 "[ . 1 . 2]" 2
6 1 2 ASP HB3 1 3 MET H 4.450 . 4.450 3.566 2.457 4.411 . 0 0 "[ . 1 . 2]" 2
7 1 2 ASP HB3 1 4 SER H 4.990 . 4.990 3.213 2.115 4.353 . 0 0 "[ . 1 . 2]" 2
8 1 2 ASP HB2 1 3 MET H 4.300 . 4.300 3.999 2.425 4.467 0.167 20 0 "[ . 1 . 2]" 2
9 1 2 ASP HB2 1 4 SER H 5.020 . 5.020 3.918 2.783 5.057 0.037 15 0 "[ . 1 . 2]" 2
10 1 3 MET HA 1 5 ASN H 4.140 . 4.140 3.880 3.432 4.178 0.038 13 0 "[ . 1 . 2]" 2
11 1 3 MET HA 1 6 VAL QG 3.310 . 3.310 2.245 1.776 3.538 0.228 15 0 "[ . 1 . 2]" 2
12 1 3 MET HA 1 6 VAL H 3.830 . 3.830 3.569 3.139 4.186 0.356 15 0 "[ . 1 . 2]" 2
13 1 3 MET HB2 1 4 SER H 4.340 . 4.340 3.685 3.174 4.038 . 0 0 "[ . 1 . 2]" 2
14 1 3 MET HG2 1 4 SER H 5.050 . 5.050 4.729 4.424 5.074 0.024 4 0 "[ . 1 . 2]" 2
15 1 3 MET H 1 3 MET HB2 3.590 . 3.590 2.567 2.328 3.613 0.023 4 0 "[ . 1 . 2]" 2
16 1 3 MET H 1 3 MET HG2 3.420 . 3.420 2.703 2.264 3.503 0.083 18 0 "[ . 1 . 2]" 2
17 1 3 MET H 1 3 MET HG3 3.790 . 3.790 3.479 2.318 3.871 0.081 9 0 "[ . 1 . 2]" 2
18 1 3 MET H 1 4 SER H 3.290 . 3.290 2.517 2.269 2.879 . 0 0 "[ . 1 . 2]" 2
19 1 3 MET H 1 5 ASN H 4.800 . 4.800 4.443 4.047 4.814 0.014 11 0 "[ . 1 . 2]" 2
20 1 3 MET H 1 6 VAL QG 5.010 . 5.010 4.112 1.604 4.681 0.196 15 0 "[ . 1 . 2]" 2
21 1 3 MET ME 1 6 VAL QG . . 5.500 2.985 1.820 3.804 . 0 0 "[ . 1 . 2]" 2
22 1 4 SER HA 1 5 ASN H 3.630 . 3.630 3.463 3.291 3.557 . 0 0 "[ . 1 . 2]" 2
23 1 4 SER QB 1 5 ASN H 3.850 . 3.850 2.941 2.527 3.719 . 0 0 "[ . 1 . 2]" 2
24 1 4 SER QB 1 6 VAL H 4.750 . 4.750 4.555 4.299 4.841 0.091 5 0 "[ . 1 . 2]" 2
25 1 4 SER H 1 4 SER QB 3.080 . 3.080 2.599 2.310 3.347 0.267 15 0 "[ . 1 . 2]" 2
26 1 4 SER H 1 5 ASN HA 4.930 . 4.930 4.970 4.736 5.104 0.174 15 0 "[ . 1 . 2]" 2
27 1 4 SER H 1 5 ASN H 3.390 . 3.390 2.310 1.997 3.040 . 0 0 "[ . 1 . 2]" 2
28 1 4 SER H 1 6 VAL QG 5.120 . 5.120 3.782 2.471 4.591 . 0 0 "[ . 1 . 2]" 2
29 1 4 SER H 1 6 VAL H 4.370 . 4.370 3.663 2.819 4.021 . 0 0 "[ . 1 . 2]" 2
30 1 5 ASN HA 1 6 VAL H 3.610 . 3.610 3.153 3.001 3.415 . 0 0 "[ . 1 . 2]" 2
31 1 5 ASN HA 1 22 LYS QB 3.740 . 3.740 3.241 2.833 3.683 . 0 0 "[ . 1 . 2]" 2
32 1 5 ASN HA 1 22 LYS QD 3.370 . 3.370 2.068 1.740 3.000 0.060 17 0 "[ . 1 . 2]" 2
33 1 5 ASN HA 1 22 LYS QG 3.620 . 3.620 3.126 2.423 3.657 0.037 16 0 "[ . 1 . 2]" 2
34 1 5 ASN HA 1 22 LYS H 4.970 . 4.970 3.998 3.679 4.427 . 0 0 "[ . 1 . 2]" 2
35 1 5 ASN HB3 1 6 VAL H 4.490 . 4.490 4.261 3.353 4.546 0.056 2 0 "[ . 1 . 2]" 2
36 1 5 ASN HB3 1 21 PHE QD 4.220 . 4.220 4.206 3.475 4.469 0.249 18 0 "[ . 1 . 2]" 2
37 1 5 ASN HB3 1 22 LYS H 5.210 . 5.210 5.026 4.701 5.262 0.052 20 0 "[ . 1 . 2]" 2
38 1 5 ASN HB2 1 6 VAL H 4.480 . 4.480 4.352 4.230 4.549 0.069 18 0 "[ . 1 . 2]" 2
39 1 5 ASN HB2 1 22 LYS QB 4.030 . 4.030 3.894 2.968 4.263 0.233 10 0 "[ . 1 . 2]" 2
40 1 5 ASN QD 1 6 VAL HA 4.290 . 4.290 3.260 3.018 3.705 . 0 0 "[ . 1 . 2]" 2
41 1 5 ASN QD 1 6 VAL HB 3.460 . 3.460 3.165 2.557 3.617 0.157 10 0 "[ . 1 . 2]" 2
42 1 5 ASN QD 1 6 VAL QG 3.930 . 3.930 2.741 1.663 3.869 0.137 16 0 "[ . 1 . 2]" 2
43 1 5 ASN QD 1 6 VAL H 4.150 . 4.150 2.797 2.179 4.084 . 0 0 "[ . 1 . 2]" 2
44 1 5 ASN QD 1 21 PHE QD 3.660 . 3.660 2.147 1.655 2.667 0.145 18 0 "[ . 1 . 2]" 2
45 1 5 ASN QD 1 22 LYS QB 4.940 . 4.940 4.758 3.277 5.189 0.249 18 0 "[ . 1 . 2]" 2
46 1 5 ASN QD 1 22 LYS QD 5.030 . 5.030 4.738 4.283 5.226 0.196 10 0 "[ . 1 . 2]" 2
47 1 5 ASN QD 1 22 LYS H 5.500 . 5.500 3.921 2.653 4.437 . 0 0 "[ . 1 . 2]" 2
48 1 5 ASN H 1 5 ASN HB3 3.330 . 3.330 2.864 2.222 3.339 0.009 12 0 "[ . 1 . 2]" 2
49 1 5 ASN H 1 5 ASN HB2 3.650 . 3.650 3.565 2.938 3.730 0.080 12 0 "[ . 1 . 2]" 2
50 1 5 ASN H 1 6 VAL HA 4.870 . 4.870 4.704 4.339 4.850 . 0 0 "[ . 1 . 2]" 2
51 1 5 ASN H 1 6 VAL QG 4.270 . 4.270 3.362 2.926 3.726 . 0 0 "[ . 1 . 2]" 2
52 1 5 ASN H 1 6 VAL H 3.220 . 3.220 2.297 1.863 2.492 . 0 0 "[ . 1 . 2]" 2
53 1 5 ASN H 1 21 PHE QD . . 5.000 4.569 4.242 4.914 . 0 0 "[ . 1 . 2]" 2
54 1 6 VAL HA 1 7 VAL H 3.560 . 3.560 2.163 2.101 2.254 . 0 0 "[ . 1 . 2]" 2
55 1 6 VAL HA 1 8 LYS H 4.040 . 4.040 3.728 3.472 3.962 . 0 0 "[ . 1 . 2]" 2
56 1 6 VAL HA 1 21 PHE HA 3.230 . 3.230 1.978 1.801 2.159 . 0 0 "[ . 1 . 2]" 2
57 1 6 VAL HA 1 21 PHE QD 4.200 . 4.200 3.277 2.520 3.735 . 0 0 "[ . 1 . 2]" 2
58 1 6 VAL HA 1 21 PHE H 5.090 . 5.090 4.745 4.580 4.850 . 0 0 "[ . 1 . 2]" 2
59 1 6 VAL QG 1 7 VAL H 4.740 . 4.740 2.604 2.335 2.982 . 0 0 "[ . 1 . 2]" 2
60 1 6 VAL QG 1 8 LYS H 4.850 . 4.850 2.036 1.800 2.369 . 0 0 "[ . 1 . 2]" 2
61 1 6 VAL QG 1 19 HIS HB2 4.770 . 4.770 2.740 2.125 3.098 . 0 0 "[ . 1 . 2]" 2
62 1 6 VAL QG 1 22 LYS H 5.500 . 5.500 4.126 3.529 4.442 . 0 0 "[ . 1 . 2]" 2
63 1 6 VAL H 1 6 VAL HB 2.960 . 2.960 2.678 2.342 2.966 0.006 9 0 "[ . 1 . 2]" 2
64 1 6 VAL H 1 6 VAL QG 3.480 . 3.480 2.314 2.003 2.998 . 0 0 "[ . 1 . 2]" 2
65 1 6 VAL H 1 7 VAL QG 5.500 . 5.500 4.850 4.584 5.327 . 0 0 "[ . 1 . 2]" 2
66 1 6 VAL H 1 21 PHE HA 4.760 . 4.760 4.720 4.582 4.825 0.065 20 0 "[ . 1 . 2]" 2
67 1 6 VAL H 1 21 PHE QD 4.960 . 4.960 4.332 3.705 4.789 . 0 0 "[ . 1 . 2]" 2
68 1 6 VAL H 1 22 LYS QG 5.500 . 5.500 4.317 3.492 5.089 . 0 0 "[ . 1 . 2]" 2
69 1 6 VAL QG 1 20 VAL QG 7.000 . 7.000 3.970 3.352 4.384 . 0 0 "[ . 1 . 2]" 2
70 1 7 VAL QG 1 21 PHE HA 4.110 . 4.110 3.294 3.063 3.728 . 0 0 "[ . 1 . 2]" 2
71 1 7 VAL QG 1 22 LYS HA 3.210 . 3.210 2.216 1.550 3.034 0.250 12 0 "[ . 1 . 2]" 2
72 1 7 VAL QG 1 23 ASP H 5.270 . 5.270 4.504 4.205 5.117 . 0 0 "[ . 1 . 2]" 2
73 1 7 VAL H 1 8 LYS H 3.630 . 3.630 2.297 2.056 2.420 . 0 0 "[ . 1 . 2]" 2
74 1 7 VAL H 1 21 PHE HA 4.110 . 4.110 2.706 2.585 2.837 . 0 0 "[ . 1 . 2]" 2
75 1 7 VAL H 1 21 PHE HB2 5.500 . 5.500 5.565 5.488 5.679 0.179 17 0 "[ . 1 . 2]" 2
76 1 7 VAL H 1 21 PHE HB3 5.500 . 5.500 5.059 4.825 5.292 . 0 0 "[ . 1 . 2]" 2
77 1 7 VAL H 1 21 PHE QD . . 5.000 4.955 4.467 5.234 0.234 12 0 "[ . 1 . 2]" 2
78 1 7 VAL H 1 22 LYS H 5.000 . 5.000 3.432 3.088 3.971 . 0 0 "[ . 1 . 2]" 2
79 1 7 VAL QG 1 66 LEU QD 7.000 . 7.000 5.181 4.865 5.786 . 0 0 "[ . 1 . 2]" 2
80 1 8 LYS HA 1 9 THR HB 4.230 . 4.230 4.332 4.251 4.399 0.169 20 0 "[ . 1 . 2]" 2
81 1 8 LYS HA 1 9 THR H 2.940 . 2.940 2.116 2.053 2.253 . 0 0 "[ . 1 . 2]" 2
82 1 8 LYS HB3 1 20 VAL QG 4.180 . 4.180 3.331 1.901 3.962 . 0 0 "[ . 1 . 2]" 2
83 1 8 LYS HB3 1 20 VAL H 4.950 . 4.950 3.773 3.413 4.118 . 0 0 "[ . 1 . 2]" 2
84 1 8 LYS HB2 1 9 THR H 4.030 . 4.030 4.094 3.910 4.169 0.139 1 0 "[ . 1 . 2]" 2
85 1 8 LYS HB2 1 20 VAL H 5.500 . 5.500 5.258 4.988 5.529 0.029 2 0 "[ . 1 . 2]" 2
86 1 8 LYS QD 1 9 THR H 3.950 . 3.950 2.200 1.793 2.743 0.007 15 0 "[ . 1 . 2]" 2
87 1 8 LYS HE3 1 9 THR H 5.390 . 5.390 3.742 3.152 5.143 . 0 0 "[ . 1 . 2]" 2
88 1 8 LYS HE3 1 10 TYR QE 4.630 . 4.630 3.978 2.993 4.977 0.347 10 0 "[ . 1 . 2]" 2
89 1 8 LYS HE2 1 9 THR H 5.500 . 5.500 4.526 3.578 5.039 . 0 0 "[ . 1 . 2]" 2
90 1 8 LYS H 1 8 LYS HB3 4.130 . 4.130 3.112 3.003 3.172 . 0 0 "[ . 1 . 2]" 2
91 1 8 LYS H 1 9 THR H 4.940 . 4.940 4.095 3.974 4.262 . 0 0 "[ . 1 . 2]" 2
92 1 8 LYS H 1 20 VAL H 4.340 . 4.340 3.329 3.088 3.593 . 0 0 "[ . 1 . 2]" 2
93 1 8 LYS H 1 21 PHE HA 4.860 . 4.860 4.317 4.077 4.538 . 0 0 "[ . 1 . 2]" 2
94 1 9 THR HA 1 10 TYR QD 4.770 . 4.770 4.294 4.042 4.752 . 0 0 "[ . 1 . 2]" 2
95 1 9 THR HB 1 10 TYR H 4.810 . 4.810 4.089 3.977 4.221 . 0 0 "[ . 1 . 2]" 2
96 1 9 THR MG 1 10 TYR H 4.080 . 4.080 2.378 2.204 2.492 . 0 0 "[ . 1 . 2]" 2
97 1 9 THR MG 1 11 ASP H 4.940 . 4.940 4.114 3.937 4.475 . 0 0 "[ . 1 . 2]" 2
98 1 9 THR MG 1 17 LYS QB 3.020 . 3.020 2.651 2.354 3.747 0.727 3 2 "[ + . 1 . -2]" 2
99 1 9 THR MG 1 17 LYS QD 3.550 . 3.550 2.960 2.074 3.543 . 0 0 "[ . 1 . 2]" 2
100 1 9 THR MG 1 18 VAL H 4.680 . 4.680 3.325 2.919 3.614 . 0 0 "[ . 1 . 2]" 2
101 1 9 THR H 1 9 THR HB 3.290 . 3.290 2.467 2.361 2.657 . 0 0 "[ . 1 . 2]" 2
102 1 9 THR H 1 10 TYR H 4.940 . 4.940 4.435 4.356 4.486 . 0 0 "[ . 1 . 2]" 2
103 1 3 MET ME 1 9 THR MG 7.000 . 7.000 3.349 2.318 4.821 . 0 0 "[ . 1 . 2]" 2
104 1 6 VAL QG 1 9 THR MG 7.000 . 7.000 3.720 3.444 4.129 . 0 0 "[ . 1 . 2]" 2
105 1 10 TYR HA 1 11 ASP QB 5.500 . 5.500 4.077 3.837 4.539 . 0 0 "[ . 1 . 2]" 2
106 1 10 TYR HA 1 11 ASP H 2.980 . 2.980 2.023 1.970 2.092 . 0 0 "[ . 1 . 2]" 2
107 1 10 TYR HA 1 12 LEU QD 5.150 . 5.150 4.843 4.384 5.085 . 0 0 "[ . 1 . 2]" 2
108 1 10 TYR HA 1 18 VAL HB 5.010 . 5.010 4.791 4.549 5.001 . 0 0 "[ . 1 . 2]" 2
109 1 10 TYR HA 1 18 VAL H 5.210 . 5.210 4.489 4.355 4.558 . 0 0 "[ . 1 . 2]" 2
110 1 10 TYR HA 1 46 THR MG 4.720 . 4.720 3.922 3.509 4.737 0.017 8 0 "[ . 1 . 2]" 2
111 1 10 TYR HB3 1 18 VAL HB 3.970 . 3.970 3.289 2.856 3.628 . 0 0 "[ . 1 . 2]" 2
112 1 10 TYR HB3 1 18 VAL H 4.710 . 4.710 4.003 3.539 4.274 . 0 0 "[ . 1 . 2]" 2
113 1 10 TYR HB3 1 46 THR MG 5.160 . 5.160 2.409 1.890 3.274 . 0 0 "[ . 1 . 2]" 2
114 1 10 TYR HB3 1 52 ILE MD 5.170 . 5.170 2.815 2.208 3.229 . 0 0 "[ . 1 . 2]" 2
115 1 10 TYR HB2 1 18 VAL HB 3.720 . 3.720 2.113 1.726 2.326 0.074 9 0 "[ . 1 . 2]" 2
116 1 10 TYR HB2 1 18 VAL MG1 5.200 . 5.200 3.224 2.969 3.499 . 0 0 "[ . 1 . 2]" 2
117 1 10 TYR HB2 1 18 VAL H 4.500 . 4.500 3.319 2.896 3.534 . 0 0 "[ . 1 . 2]" 2
118 1 10 TYR HB2 1 46 THR MG 5.500 . 5.500 3.773 3.218 4.759 . 0 0 "[ . 1 . 2]" 2
119 1 10 TYR HB2 1 52 ILE MD 5.430 . 5.430 2.921 2.574 3.583 . 0 0 "[ . 1 . 2]" 2
120 1 10 TYR H 1 11 ASP H 4.950 . 4.950 4.314 4.259 4.357 . 0 0 "[ . 1 . 2]" 2
121 1 10 TYR H 1 18 VAL HB 4.440 . 4.440 3.273 2.920 3.682 . 0 0 "[ . 1 . 2]" 2
122 1 10 TYR H 1 18 VAL H 4.340 . 4.340 2.804 2.571 3.027 . 0 0 "[ . 1 . 2]" 2
123 1 10 TYR H 1 20 VAL H 5.330 . 5.330 4.722 4.342 5.007 . 0 0 "[ . 1 . 2]" 2
124 1 10 TYR H 1 52 ILE MD 5.500 . 5.500 4.910 4.567 5.575 0.075 19 0 "[ . 1 . 2]" 2
125 1 10 TYR QD 1 18 VAL MG2 3.400 . 5.400 4.710 4.214 5.031 . 0 0 "[ . 1 . 2]" 2
126 1 10 TYR QD 1 18 VAL MG1 2.800 . 4.800 3.276 2.512 3.723 . 0 0 "[ . 1 . 2]" 2
127 1 10 TYR QD 1 50 THR MG 5.000 . 7.000 4.794 3.413 6.499 . 0 0 "[ . 1 . 2]" 2
128 1 10 TYR QD 1 52 ILE MD 3.400 . 5.400 3.221 2.709 3.643 . 0 0 "[ . 1 . 2]" 2
129 1 10 TYR QD 1 52 ILE MG 3.400 . 5.400 3.412 3.036 4.106 . 0 0 "[ . 1 . 2]" 2
130 1 10 TYR QD 1 59 ILE MD 5.000 . 7.000 4.522 3.742 5.036 . 0 0 "[ . 1 . 2]" 2
131 1 9 THR HB 1 10 TYR QD 5.000 . 7.000 6.151 6.008 6.571 . 0 0 "[ . 1 . 2]" 2
132 1 10 TYR QD 1 11 ASP H 3.400 . 3.400 3.061 2.762 3.231 . 0 0 "[ . 1 . 2]" 2
133 1 10 TYR QD 1 18 VAL H 5.000 . 5.000 5.028 4.706 5.167 0.167 11 0 "[ . 1 . 2]" 2
134 1 10 TYR QE 1 50 THR MG 5.000 . 7.000 3.863 2.622 6.012 . 0 0 "[ . 1 . 2]" 2
135 1 10 TYR QE 1 52 ILE MD 5.000 . 7.000 4.412 3.728 4.935 . 0 0 "[ . 1 . 2]" 2
136 1 10 TYR QE 1 59 ILE MD 3.400 . 5.400 5.012 3.879 5.443 0.043 6 0 "[ . 1 . 2]" 2
137 1 10 TYR QE 1 61 ARG HD3 5.000 . 7.000 3.116 1.697 4.475 0.103 16 0 "[ . 1 . 2]" 2
138 1 10 TYR QE 1 61 ARG HD2 5.000 . 7.000 3.743 1.800 5.037 . 0 0 "[ . 1 . 2]" 2
139 1 9 THR HA 1 10 TYR QE 5.000 . 7.000 5.620 5.225 6.394 . 0 0 "[ . 1 . 2]" 2
140 1 10 TYR QE 1 11 ASP H 5.000 . 5.000 5.246 4.902 5.455 0.455 9 0 "[ . 1 . 2]" 2
141 1 11 ASP HA 1 12 LEU H 3.470 . 3.470 2.067 2.004 2.114 . 0 0 "[ . 1 . 2]" 2
142 1 11 ASP HA 1 17 LYS HA 4.150 . 4.150 2.676 2.428 2.938 . 0 0 "[ . 1 . 2]" 2
143 1 11 ASP HA 1 17 LYS QG 3.290 . 3.290 3.116 2.379 3.375 0.085 20 0 "[ . 1 . 2]" 2
144 1 11 ASP HA 1 18 VAL H 4.780 . 4.780 3.748 3.553 4.039 . 0 0 "[ . 1 . 2]" 2
145 1 11 ASP QB 1 47 ARG QD . . 3.990 2.487 1.660 3.682 0.140 16 0 "[ . 1 . 2]" 2
146 1 11 ASP QB 1 47 ARG QG . . 4.020 2.284 1.665 2.807 0.135 13 0 "[ . 1 . 2]" 2
147 1 11 ASP QB 1 47 ARG QB 4.280 . 4.280 2.898 1.967 3.767 . 0 0 "[ . 1 . 2]" 2
148 1 11 ASP H 1 11 ASP QB 3.540 . 3.540 2.413 2.254 2.984 . 0 0 "[ . 1 . 2]" 2
149 1 11 ASP H 1 12 LEU QD 5.340 . 5.340 4.268 3.910 4.474 . 0 0 "[ . 1 . 2]" 2
150 1 11 ASP H 1 17 LYS HA 5.500 . 5.500 4.949 4.767 5.072 . 0 0 "[ . 1 . 2]" 2
151 1 11 ASP H 1 18 VAL H 5.500 . 5.500 4.789 4.723 4.845 . 0 0 "[ . 1 . 2]" 2
152 1 11 ASP H 1 46 THR MG 5.030 . 5.030 3.632 3.303 4.343 . 0 0 "[ . 1 . 2]" 2
153 1 11 ASP H 1 52 ILE MD 5.500 . 5.500 5.384 4.972 5.557 0.057 11 0 "[ . 1 . 2]" 2
154 1 12 LEU HA 1 12 LEU QD 3.880 . 3.880 2.052 1.843 2.699 . 0 0 "[ . 1 . 2]" 2
155 1 12 LEU HA 1 14 ASP H 5.190 . 5.190 4.040 3.753 4.353 . 0 0 "[ . 1 . 2]" 2
156 1 12 LEU HB2 1 13 GLN H 4.040 . 4.040 3.703 3.264 4.001 . 0 0 "[ . 1 . 2]" 2
157 1 12 LEU HB2 1 14 ASP H 3.960 . 3.960 3.140 2.740 3.648 . 0 0 "[ . 1 . 2]" 2
158 1 12 LEU HB2 1 15 GLY HA3 5.060 . 5.060 5.181 5.080 5.375 0.315 3 0 "[ . 1 . 2]" 2
159 1 12 LEU HB2 1 15 GLY H 4.870 . 4.870 2.987 2.754 3.277 . 0 0 "[ . 1 . 2]" 2
160 1 12 LEU HB3 1 15 GLY H 4.630 . 4.630 3.830 3.349 4.208 . 0 0 "[ . 1 . 2]" 2
161 1 12 LEU HB3 1 16 SER H 4.050 . 4.050 3.941 3.598 4.123 0.073 13 0 "[ . 1 . 2]" 2
162 1 12 LEU QD 1 13 GLN H . . 4.570 3.717 3.291 4.208 . 0 0 "[ . 1 . 2]" 2
163 1 12 LEU QD 1 14 ASP H 4.900 . 4.900 4.129 3.810 4.415 . 0 0 "[ . 1 . 2]" 2
164 1 12 LEU QD 1 16 SER HB3 4.580 . 4.580 2.764 1.727 3.660 0.073 6 0 "[ . 1 . 2]" 2
165 1 12 LEU QD 1 16 SER HB2 4.190 . 4.190 1.884 1.649 2.846 0.151 18 0 "[ . 1 . 2]" 2
166 1 12 LEU QD 1 16 SER H 4.810 . 4.810 3.693 3.140 4.175 . 0 0 "[ . 1 . 2]" 2
167 1 12 LEU QD 1 44 MET HB2 4.410 . 4.410 2.874 2.073 3.473 . 0 0 "[ . 1 . 2]" 2
168 1 12 LEU QD 1 45 GLU H 5.500 . 5.500 3.724 3.337 4.804 . 0 0 "[ . 1 . 2]" 2
169 1 12 LEU QD 1 17 LYS HA 5.330 . 5.330 3.629 2.063 4.186 . 0 0 "[ . 1 . 2]" 2
170 1 12 LEU QD 1 17 LYS H 5.500 . 5.500 4.128 3.080 4.576 . 0 0 "[ . 1 . 2]" 2
171 1 12 LEU QD 1 18 VAL H 5.370 . 5.370 3.549 2.609 3.941 . 0 0 "[ . 1 . 2]" 2
172 1 12 LEU QD 1 44 MET HB3 5.240 . 5.240 2.421 2.072 3.322 . 0 0 "[ . 1 . 2]" 2
173 1 12 LEU QD 1 46 THR HA 4.030 . 4.030 3.060 2.421 3.988 . 0 0 "[ . 1 . 2]" 2
174 1 12 LEU QD 1 47 ARG H 5.020 . 5.020 4.453 3.916 4.959 . 0 0 "[ . 1 . 2]" 2
175 1 12 LEU HG 1 13 GLN H 5.220 . 5.220 5.071 3.860 5.372 0.152 7 0 "[ . 1 . 2]" 2
176 1 12 LEU HG 1 16 SER H 5.440 . 5.440 4.458 3.913 5.572 0.132 5 0 "[ . 1 . 2]" 2
177 1 12 LEU HG 1 17 LYS HA 4.720 . 4.720 3.757 2.949 4.970 0.250 5 0 "[ . 1 . 2]" 2
178 1 12 LEU H 1 12 LEU HB3 4.120 . 4.120 3.638 3.501 3.715 . 0 0 "[ . 1 . 2]" 2
179 1 12 LEU H 1 14 ASP H 5.500 . 5.500 4.555 4.124 5.125 . 0 0 "[ . 1 . 2]" 2
180 1 12 LEU H 1 15 GLY H 5.500 . 5.500 3.945 3.531 4.846 . 0 0 "[ . 1 . 2]" 2
181 1 12 LEU H 1 16 SER HB2 5.500 . 5.500 4.222 3.577 5.339 . 0 0 "[ . 1 . 2]" 2
182 1 12 LEU H 1 16 SER H 5.350 . 5.350 3.965 3.149 4.453 . 0 0 "[ . 1 . 2]" 2
183 1 12 LEU H 1 17 LYS HA 4.360 . 4.360 3.104 2.779 3.593 . 0 0 "[ . 1 . 2]" 2
184 1 12 LEU H 1 17 LYS QG 5.020 . 5.020 3.956 3.194 4.704 . 0 0 "[ . 1 . 2]" 2
185 1 12 LEU QD 1 18 VAL MG1 7.000 . 7.000 3.878 3.627 4.138 . 0 0 "[ . 1 . 2]" 2
186 1 12 LEU QD 1 18 VAL MG2 7.000 . 7.000 2.064 1.729 2.389 0.071 5 0 "[ . 1 . 2]" 2
187 1 12 LEU QD 1 38 MET ME 7.000 . 7.000 3.991 3.148 5.479 . 0 0 "[ . 1 . 2]" 2
188 1 12 LEU QD 1 52 ILE MD 7.000 . 7.000 2.268 1.780 2.940 0.020 14 0 "[ . 1 . 2]" 2
189 1 12 LEU QD 1 52 ILE QG 7.000 . 7.000 3.260 2.866 3.998 . 0 0 "[ . 1 . 2]" 2
190 1 12 LEU QD 1 52 ILE MG 7.000 . 7.000 4.313 3.549 5.074 . 0 0 "[ . 1 . 2]" 2
191 1 13 GLN HA 1 47 ARG HA 3.150 . 3.150 2.885 2.092 3.322 0.172 10 0 "[ . 1 . 2]" 2
192 1 13 GLN HA 1 47 ARG QB 4.680 . 4.680 3.477 2.079 4.123 . 0 0 "[ . 1 . 2]" 2
193 1 13 GLN HA 1 47 ARG QG 3.760 . 3.760 2.461 1.701 3.870 0.110 1 0 "[ . 1 . 2]" 2
194 1 13 GLN HA 1 47 ARG H 5.000 . 5.000 3.611 2.972 4.184 . 0 0 "[ . 1 . 2]" 2
195 1 13 GLN HB3 1 14 ASP H 3.960 . 3.960 3.325 2.802 4.343 0.383 11 0 "[ . 1 . 2]" 2
196 1 13 GLN HB3 1 47 ARG HA 5.070 . 5.070 4.226 3.367 4.778 . 0 0 "[ . 1 . 2]" 2
197 1 13 GLN HB2 1 47 ARG HA 4.810 . 4.810 3.087 1.793 4.720 0.007 15 0 "[ . 1 . 2]" 2
198 1 13 GLN HB2 1 47 ARG H 5.500 . 5.500 3.894 2.782 5.695 0.195 11 0 "[ . 1 . 2]" 2
199 1 13 GLN HG3 1 14 ASP H 5.050 . 5.050 5.024 4.440 5.178 0.128 2 0 "[ . 1 . 2]" 2
200 1 13 GLN HG3 1 47 ARG HA 4.240 . 4.240 2.478 1.869 3.483 . 0 0 "[ . 1 . 2]" 2
201 1 13 GLN HG3 1 47 ARG QB 4.350 . 4.350 4.000 2.811 5.331 0.981 10 2 "[ . +- . 2]" 2
202 1 13 GLN HG2 1 14 ASP H 4.870 . 4.870 4.603 4.043 5.148 0.278 16 0 "[ . 1 . 2]" 2
203 1 13 GLN HG2 1 47 ARG HA 4.510 . 4.510 3.535 1.787 4.231 0.013 11 0 "[ . 1 . 2]" 2
204 1 13 GLN H 1 13 GLN HB3 3.670 . 3.670 3.204 2.576 4.217 0.547 17 1 "[ . 1 . + 2]" 2
205 1 13 GLN H 1 14 ASP H 3.840 . 3.840 2.743 2.586 2.977 . 0 0 "[ . 1 . 2]" 2
206 1 13 GLN H 1 46 THR HA 4.060 . 4.060 3.246 2.278 4.135 0.075 5 0 "[ . 1 . 2]" 2
207 1 13 GLN H 1 46 THR MG 5.500 . 5.500 4.834 4.167 5.571 0.071 17 0 "[ . 1 . 2]" 2
208 1 13 GLN H 1 47 ARG HA 5.210 . 5.210 4.338 3.707 4.868 . 0 0 "[ . 1 . 2]" 2
209 1 13 GLN H 1 47 ARG H 4.910 . 4.910 3.594 3.328 4.011 . 0 0 "[ . 1 . 2]" 2
210 1 14 ASP HA 1 14 ASP HB2 3.030 . 3.030 2.474 2.258 3.032 0.002 9 0 "[ . 1 . 2]" 2
211 1 14 ASP HB3 1 15 GLY H 4.840 . 4.840 3.276 2.400 4.263 . 0 0 "[ . 1 . 2]" 2
212 1 14 ASP HB2 1 15 GLY H 5.010 . 5.010 4.008 3.309 4.264 . 0 0 "[ . 1 . 2]" 2
213 1 14 ASP H 1 14 ASP HB3 3.570 . 3.570 2.587 2.248 3.657 0.087 9 0 "[ . 1 . 2]" 2
214 1 14 ASP H 1 14 ASP HB2 3.650 . 3.650 3.018 2.411 3.689 0.039 20 0 "[ . 1 . 2]" 2
215 1 14 ASP H 1 15 GLY HA2 4.480 . 4.480 4.554 4.518 4.602 0.122 17 0 "[ . 1 . 2]" 2
216 1 14 ASP H 1 15 GLY HA3 4.830 . 4.830 4.839 4.734 4.910 0.080 10 0 "[ . 1 . 2]" 2
217 1 15 GLY HA2 1 31 LYS HB3 4.150 . 4.150 3.291 2.129 3.815 . 0 0 "[ . 1 . 2]" 2
218 1 15 GLY HA2 1 31 LYS HB2 4.360 . 4.360 3.969 3.096 4.459 0.099 17 0 "[ . 1 . 2]" 2
219 1 15 GLY HA3 1 31 LYS HA 2.900 . 2.900 3.056 2.879 3.573 0.673 3 2 "[ + .- 1 . 2]" 2
220 1 15 GLY HA3 1 31 LYS HB3 4.210 . 4.210 1.776 1.671 2.162 0.129 17 0 "[ . 1 . 2]" 2
221 1 15 GLY HA3 1 31 LYS HB2 4.430 . 4.430 2.674 1.967 3.415 . 0 0 "[ . 1 . 2]" 2
222 1 15 GLY HA3 1 31 LYS H 5.500 . 5.500 3.891 3.022 4.264 . 0 0 "[ . 1 . 2]" 2
223 1 15 GLY H 1 16 SER H 3.610 . 3.610 2.372 2.160 2.806 . 0 0 "[ . 1 . 2]" 2
224 1 16 SER HA 1 17 LYS H 3.290 . 3.290 2.300 2.124 2.430 . 0 0 "[ . 1 . 2]" 2
225 1 16 SER HB3 1 17 LYS H 3.680 . 3.680 2.885 2.570 3.812 0.132 6 0 "[ . 1 . 2]" 2
226 1 16 SER HB3 1 29 GLU H 5.330 . 5.330 4.290 3.947 5.413 0.083 6 0 "[ . 1 . 2]" 2
227 1 16 SER HB2 1 17 LYS H 3.830 . 3.830 3.674 3.499 3.957 0.127 17 0 "[ . 1 . 2]" 2
228 1 16 SER HB2 1 29 GLU H 5.360 . 5.360 5.401 4.967 5.487 0.127 5 0 "[ . 1 . 2]" 2
229 1 16 SER H 1 16 SER HB3 3.920 . 3.920 3.512 2.635 3.991 0.071 3 0 "[ . 1 . 2]" 2
230 1 16 SER H 1 16 SER HB2 3.930 . 3.930 2.731 2.470 3.552 . 0 0 "[ . 1 . 2]" 2
231 1 16 SER H 1 17 LYS H 4.600 . 4.600 4.569 4.172 4.633 0.033 8 0 "[ . 1 . 2]" 2
232 1 17 LYS HA 1 18 VAL H 3.330 . 3.330 2.152 2.100 2.244 . 0 0 "[ . 1 . 2]" 2
233 1 17 LYS QB 1 18 VAL H 4.280 . 4.280 3.128 2.715 3.804 . 0 0 "[ . 1 . 2]" 2
234 1 17 LYS QB 1 29 GLU H 5.500 . 5.500 3.245 2.927 3.665 . 0 0 "[ . 1 . 2]" 2
235 1 17 LYS QB 1 29 GLU QG 4.990 . 4.990 3.882 2.138 4.231 . 0 0 "[ . 1 . 2]" 2
236 1 17 LYS QG 1 18 VAL H 5.390 . 5.390 4.056 2.881 4.342 . 0 0 "[ . 1 . 2]" 2
237 1 17 LYS H 1 28 MET HA 4.980 . 4.980 4.549 4.275 4.744 . 0 0 "[ . 1 . 2]" 2
238 1 17 LYS H 1 29 GLU QG 4.970 . 4.970 4.792 3.508 5.035 0.065 18 0 "[ . 1 . 2]" 2
239 1 18 VAL HA 1 19 HIS H 3.320 . 3.320 2.278 2.193 2.349 . 0 0 "[ . 1 . 2]" 2
240 1 18 VAL HA 1 27 GLY H 4.700 . 4.700 4.407 4.027 4.587 . 0 0 "[ . 1 . 2]" 2
241 1 18 VAL HA 1 28 MET HA 3.510 . 3.510 2.337 2.159 2.534 . 0 0 "[ . 1 . 2]" 2
242 1 18 VAL HA 1 28 MET H 4.780 . 4.780 4.799 4.730 4.858 0.078 15 0 "[ . 1 . 2]" 2
243 1 18 VAL HB 1 52 ILE MD 5.210 . 5.210 2.815 2.437 3.846 . 0 0 "[ . 1 . 2]" 2
244 1 18 VAL MG2 1 28 MET HA 4.210 . 4.210 3.144 2.898 3.361 . 0 0 "[ . 1 . 2]" 2
245 1 18 VAL MG2 1 29 GLU H 5.200 . 5.200 3.996 3.734 4.179 . 0 0 "[ . 1 . 2]" 2
246 1 18 VAL MG1 1 19 HIS HA 4.890 . 4.890 3.401 3.229 3.696 . 0 0 "[ . 1 . 2]" 2
247 1 18 VAL MG1 1 19 HIS H 3.910 . 3.910 2.392 2.161 2.761 . 0 0 "[ . 1 . 2]" 2
248 1 18 VAL MG1 1 27 GLY H 4.780 . 4.780 3.624 3.375 3.867 . 0 0 "[ . 1 . 2]" 2
249 1 18 VAL MG1 1 28 MET H 5.500 . 5.500 5.115 4.709 5.319 . 0 0 "[ . 1 . 2]" 2
250 1 18 VAL H 1 18 VAL HB 3.710 . 3.710 2.531 2.475 2.656 . 0 0 "[ . 1 . 2]" 2
251 1 18 VAL H 1 19 HIS H 5.240 . 5.240 4.463 4.266 4.534 . 0 0 "[ . 1 . 2]" 2
252 1 18 VAL H 1 52 ILE MD 5.500 . 5.500 4.526 4.056 5.359 . 0 0 "[ . 1 . 2]" 2
253 1 12 LEU HG 1 18 VAL MG2 7.000 . 7.000 2.880 2.416 3.774 . 0 0 "[ . 1 . 2]" 2
254 1 18 VAL MG2 1 44 MET ME 5.500 . 5.500 3.008 2.071 4.206 . 0 0 "[ . 1 . 2]" 2
255 1 18 VAL MG2 1 59 ILE MG 7.000 . 7.000 5.811 4.988 6.408 . 0 0 "[ . 1 . 2]" 2
256 1 18 VAL MG1 1 59 ILE MD 7.000 . 7.000 2.813 2.067 3.731 . 0 0 "[ . 1 . 2]" 2
257 1 19 HIS HB3 1 20 VAL H 4.200 . 4.200 3.241 3.101 3.381 . 0 0 "[ . 1 . 2]" 2
258 1 19 HIS HB3 1 27 GLY H 4.770 . 4.770 4.596 4.282 4.853 0.083 19 0 "[ . 1 . 2]" 2
259 1 19 HIS HB2 1 20 VAL H 4.370 . 4.370 3.842 3.575 4.008 . 0 0 "[ . 1 . 2]" 2
260 1 19 HIS H 1 19 HIS HB3 4.170 . 4.170 3.890 3.810 3.946 . 0 0 "[ . 1 . 2]" 2
261 1 19 HIS H 1 19 HIS HB2 3.820 . 3.820 3.017 2.762 3.260 . 0 0 "[ . 1 . 2]" 2
262 1 19 HIS H 1 20 VAL HA 5.180 . 5.180 4.776 4.650 4.973 . 0 0 "[ . 1 . 2]" 2
263 1 19 HIS H 1 20 VAL H 5.160 . 5.160 4.278 4.191 4.357 . 0 0 "[ . 1 . 2]" 2
264 1 19 HIS H 1 21 PHE QD 5.340 . 5.340 5.084 4.714 5.472 0.132 13 0 "[ . 1 . 2]" 2
265 1 19 HIS H 1 27 GLY HA3 5.500 . 5.500 4.072 3.753 4.241 . 0 0 "[ . 1 . 2]" 2
266 1 19 HIS H 1 27 GLY H 3.850 . 3.850 2.544 2.339 2.693 . 0 0 "[ . 1 . 2]" 2
267 1 17 LYS QB 1 19 HIS HD2 5.000 . 7.000 5.041 4.015 6.259 . 0 0 "[ . 1 . 2]" 2
268 1 17 LYS QD 1 19 HIS HD2 5.000 . 7.000 6.102 4.977 6.781 . 0 0 "[ . 1 . 2]" 2
269 1 18 VAL MG2 1 19 HIS HD2 5.000 . 7.000 6.273 5.537 7.039 0.039 7 0 "[ . 1 . 2]" 2
270 1 18 VAL MG1 1 19 HIS HD2 5.000 . 7.000 5.418 4.756 6.194 . 0 0 "[ . 1 . 2]" 2
271 1 19 HIS HD2 1 27 GLY HA3 5.000 . 7.000 3.274 2.466 4.355 . 0 0 "[ . 1 . 2]" 2
272 1 19 HIS HD2 1 28 MET HA 3.400 . 5.400 4.668 3.965 5.475 0.075 15 0 "[ . 1 . 2]" 2
273 1 19 HIS HD2 1 29 GLU HA 5.000 . 7.000 6.578 5.835 7.075 0.075 1 0 "[ . 1 . 2]" 2
274 1 19 HIS HD2 1 29 GLU QG 3.400 . 5.400 4.165 3.392 5.260 . 0 0 "[ . 1 . 2]" 2
275 1 6 VAL QG 1 19 HIS HD2 3.400 . 5.400 4.125 3.759 4.438 . 0 0 "[ . 1 . 2]" 2
276 1 9 THR HB 1 19 HIS HD2 5.000 . 7.000 7.274 7.136 7.413 0.413 4 0 "[ . 1 . 2]" 2
277 1 1 VAL QG 1 19 HIS HE1 3.400 . 5.400 3.144 2.227 4.059 . 0 0 "[ . 1 . 2]" 2
278 1 17 LYS HA 1 19 HIS HE1 5.000 . 7.000 4.970 3.969 6.098 . 0 0 "[ . 1 . 2]" 2
279 1 17 LYS QB 1 19 HIS HE1 3.400 . 5.400 2.579 1.739 4.219 0.061 13 0 "[ . 1 . 2]" 2
280 1 19 HIS HE1 1 29 GLU QG 5.000 . 7.000 4.749 2.139 5.448 . 0 0 "[ . 1 . 2]" 2
281 1 6 VAL QG 1 19 HIS HE1 5.000 . 7.000 4.562 3.416 5.279 . 0 0 "[ . 1 . 2]" 2
282 1 20 VAL HA 1 21 PHE HB2 4.490 . 4.490 4.379 4.171 4.493 0.003 15 0 "[ . 1 . 2]" 2
283 1 20 VAL HA 1 21 PHE QD 4.770 . 4.770 3.513 3.096 4.039 . 0 0 "[ . 1 . 2]" 2
284 1 20 VAL HA 1 21 PHE H 3.210 . 3.210 2.125 2.100 2.156 . 0 0 "[ . 1 . 2]" 2
285 1 20 VAL HA 1 26 MET HA 3.420 . 3.420 2.617 2.227 2.893 . 0 0 "[ . 1 . 2]" 2
286 1 20 VAL HA 1 27 GLY H 4.350 . 4.350 4.050 3.607 4.384 0.034 20 0 "[ . 1 . 2]" 2
287 1 20 VAL QG 1 21 PHE HB2 5.500 . 5.500 4.428 4.165 4.593 . 0 0 "[ . 1 . 2]" 2
288 1 20 VAL QG 1 21 PHE H 3.760 . 3.760 2.796 2.563 3.092 . 0 0 "[ . 1 . 2]" 2
289 1 20 VAL QG 1 24 GLY HA2 4.480 . 4.480 3.508 3.401 3.617 . 0 0 "[ . 1 . 2]" 2
290 1 20 VAL QG 1 24 GLY HA3 4.820 . 4.820 4.836 4.765 4.907 0.087 3 0 "[ . 1 . 2]" 2
291 1 20 VAL QG 1 24 GLY H 4.740 . 4.740 4.154 4.002 4.321 . 0 0 "[ . 1 . 2]" 2
292 1 20 VAL QG 1 25 LYS H 5.500 . 5.500 4.766 4.468 4.966 . 0 0 "[ . 1 . 2]" 2
293 1 20 VAL QG 1 26 MET HB3 5.460 . 5.460 3.697 2.170 4.320 . 0 0 "[ . 1 . 2]" 2
294 1 20 VAL H 1 20 VAL HB 3.670 . 3.670 2.620 2.510 3.032 . 0 0 "[ . 1 . 2]" 2
295 1 20 VAL H 1 21 PHE HA 5.500 . 5.500 4.768 4.658 4.849 . 0 0 "[ . 1 . 2]" 2
296 1 20 VAL H 1 21 PHE QD 5.500 . 5.500 5.122 4.969 5.268 . 0 0 "[ . 1 . 2]" 2
297 1 20 VAL H 1 21 PHE H 5.410 . 5.410 4.313 4.169 4.383 . 0 0 "[ . 1 . 2]" 2
298 1 20 VAL QG 1 59 ILE MD 7.000 . 7.000 3.224 2.187 5.398 . 0 0 "[ . 1 . 2]" 2
299 1 20 VAL QG 1 66 LEU QD 7.000 . 7.000 3.774 2.832 4.507 . 0 0 "[ . 1 . 2]" 2
300 1 20 VAL QG 1 59 ILE QG 7.000 . 7.000 3.283 1.771 5.124 0.029 10 0 "[ . 1 . 2]" 2
301 1 21 PHE HA 1 22 LYS HA 4.370 . 4.370 4.264 4.215 4.319 . 0 0 "[ . 1 . 2]" 2
302 1 21 PHE HA 1 22 LYS QG 4.800 . 4.800 3.996 3.629 4.458 . 0 0 "[ . 1 . 2]" 2
303 1 21 PHE HA 1 22 LYS H 3.490 . 3.490 2.317 2.238 2.432 . 0 0 "[ . 1 . 2]" 2
304 1 21 PHE HA 1 23 ASP H 4.410 . 4.410 4.017 3.858 4.215 . 0 0 "[ . 1 . 2]" 2
305 1 21 PHE HB2 1 23 ASP H 3.840 . 3.840 3.293 3.063 3.527 . 0 0 "[ . 1 . 2]" 2
306 1 21 PHE HB2 1 24 GLY H 4.640 . 4.640 3.519 3.259 3.760 . 0 0 "[ . 1 . 2]" 2
307 1 21 PHE HB2 1 25 LYS HB3 4.820 . 4.820 4.050 3.357 4.554 . 0 0 "[ . 1 . 2]" 2
308 1 21 PHE HB2 1 25 LYS HB2 4.650 . 4.650 2.874 2.021 4.171 . 0 0 "[ . 1 . 2]" 2
309 1 21 PHE HB2 1 25 LYS QE 4.270 . 4.270 3.812 2.795 4.341 0.071 4 0 "[ . 1 . 2]" 2
310 1 21 PHE HB2 1 25 LYS H 4.270 . 4.270 2.712 2.247 3.051 . 0 0 "[ . 1 . 2]" 2
311 1 21 PHE HB2 1 26 MET H 5.010 . 5.010 4.628 4.317 5.033 0.023 15 0 "[ . 1 . 2]" 2
312 1 21 PHE HB3 1 22 LYS H 3.800 . 3.800 2.588 2.426 2.746 . 0 0 "[ . 1 . 2]" 2
313 1 21 PHE HB3 1 23 ASP H 3.780 . 3.780 2.595 2.364 2.898 . 0 0 "[ . 1 . 2]" 2
314 1 21 PHE HB3 1 24 GLY H 4.950 . 4.950 3.884 3.558 4.264 . 0 0 "[ . 1 . 2]" 2
315 1 21 PHE HB3 1 25 LYS HB2 5.160 . 5.160 4.061 2.999 5.489 0.329 19 0 "[ . 1 . 2]" 2
316 1 21 PHE HB3 1 25 LYS H 4.490 . 4.490 3.854 3.176 4.376 . 0 0 "[ . 1 . 2]" 2
317 1 21 PHE H 1 21 PHE HB2 3.740 . 3.740 2.337 2.235 2.439 . 0 0 "[ . 1 . 2]" 2
318 1 21 PHE H 1 21 PHE HB3 3.920 . 3.920 3.581 3.524 3.640 . 0 0 "[ . 1 . 2]" 2
319 1 21 PHE H 1 22 LYS H 4.690 . 4.690 4.556 4.517 4.587 . 0 0 "[ . 1 . 2]" 2
320 1 21 PHE H 1 23 ASP H 4.870 . 4.870 4.750 4.585 4.897 0.027 12 0 "[ . 1 . 2]" 2
321 1 21 PHE H 1 24 GLY H 5.140 . 5.140 4.102 3.935 4.284 . 0 0 "[ . 1 . 2]" 2
322 1 21 PHE H 1 25 LYS HA 5.150 . 5.150 4.684 4.523 4.816 . 0 0 "[ . 1 . 2]" 2
323 1 21 PHE H 1 25 LYS H 4.850 . 4.850 3.876 3.715 4.031 . 0 0 "[ . 1 . 2]" 2
324 1 21 PHE H 1 26 MET HA 3.980 . 3.980 2.903 2.584 3.153 . 0 0 "[ . 1 . 2]" 2
325 1 1 VAL QG 1 21 PHE QD 2.800 . 4.800 4.429 3.936 4.952 0.152 15 0 "[ . 1 . 2]" 2
326 1 19 HIS HA 1 21 PHE QD 3.400 . 5.400 5.523 5.313 5.639 0.239 10 0 "[ . 1 . 2]" 2
327 1 19 HIS HB3 1 21 PHE QD 2.800 . 4.800 4.517 3.860 5.046 0.246 19 0 "[ . 1 . 2]" 2
328 1 19 HIS HB2 1 21 PHE QD 3.400 . 5.400 3.597 3.343 3.827 . 0 0 "[ . 1 . 2]" 2
329 1 19 HIS HD2 1 21 PHE QD 2.800 . 4.800 5.032 4.727 5.246 0.446 20 0 "[ . 1 . 2]" 2
330 1 20 VAL QG 1 21 PHE QD 5.000 . 7.000 4.384 4.101 4.653 . 0 0 "[ . 1 . 2]" 2
331 1 21 PHE QD 1 25 LYS H 4.400 . 4.400 4.319 3.986 4.477 0.077 7 0 "[ . 1 . 2]" 2
332 1 21 PHE QD 1 26 MET HA 2.800 . 4.800 2.095 1.764 2.667 0.036 7 0 "[ . 1 . 2]" 2
333 1 21 PHE QD 1 26 MET H 3.400 . 3.400 3.554 3.475 3.617 0.217 1 0 "[ . 1 . 2]" 2
334 1 21 PHE QD 1 27 GLY HA3 2.800 . 4.800 4.162 3.946 4.290 . 0 0 "[ . 1 . 2]" 2
335 1 21 PHE QD 1 27 GLY HA2 2.800 . 4.800 4.853 4.668 4.949 0.149 10 0 "[ . 1 . 2]" 2
336 1 21 PHE QD 1 27 GLY H 3.400 . 3.400 3.077 2.812 3.420 0.020 13 0 "[ . 1 . 2]" 2
337 1 5 ASN HA 1 21 PHE QD 3.400 . 5.400 4.812 4.439 5.280 . 0 0 "[ . 1 . 2]" 2
338 1 6 VAL QG 1 21 PHE QD 2.800 . 4.800 3.127 2.613 3.831 . 0 0 "[ . 1 . 2]" 2
339 1 1 VAL QG 1 21 PHE QE 2.800 . 4.800 2.876 2.074 3.793 . 0 0 "[ . 1 . 2]" 2
340 1 19 HIS HA 1 21 PHE QE 5.000 . 7.000 5.248 5.106 5.430 . 0 0 "[ . 1 . 2]" 2
341 1 19 HIS HB3 1 21 PHE QE 3.400 . 5.400 4.090 3.285 4.533 . 0 0 "[ . 1 . 2]" 2
342 1 19 HIS HB2 1 21 PHE QE 5.000 . 7.000 2.777 2.564 2.986 . 0 0 "[ . 1 . 2]" 2
343 1 19 HIS HD2 1 21 PHE QE 3.400 . 5.400 3.165 2.895 3.431 . 0 0 "[ . 1 . 2]" 2
344 1 21 PHE QE 1 26 MET HA 5.000 . 7.000 3.188 2.896 3.423 . 0 0 "[ . 1 . 2]" 2
345 1 21 PHE QE 1 27 GLY HA3 5.000 . 7.000 1.962 1.757 2.126 0.043 14 0 "[ . 1 . 2]" 2
346 1 21 PHE QE 1 27 GLY HA2 5.000 . 7.000 3.235 2.951 3.390 . 0 0 "[ . 1 . 2]" 2
347 1 6 VAL QG 1 21 PHE QE 3.400 . 5.400 3.197 2.488 4.002 . 0 0 "[ . 1 . 2]" 2
348 1 22 LYS QB 1 23 ASP H 4.030 . 4.030 3.279 2.883 3.759 . 0 0 "[ . 1 . 2]" 2
349 1 22 LYS QG 1 23 ASP H 4.450 . 4.450 3.505 2.164 4.459 0.009 15 0 "[ . 1 . 2]" 2
350 1 22 LYS H 1 22 LYS QB 3.400 . 3.400 2.336 2.166 2.534 . 0 0 "[ . 1 . 2]" 2
351 1 22 LYS H 1 23 ASP H 3.730 . 3.730 2.643 2.447 2.790 . 0 0 "[ . 1 . 2]" 2
352 1 22 LYS H 1 24 GLY H 5.300 . 5.300 4.008 3.821 4.158 . 0 0 "[ . 1 . 2]" 2
353 1 23 ASP HA 1 25 LYS H 5.170 . 5.170 4.578 4.377 4.742 . 0 0 "[ . 1 . 2]" 2
354 1 23 ASP HB3 1 24 GLY H 4.870 . 4.870 3.942 3.205 4.467 . 0 0 "[ . 1 . 2]" 2
355 1 23 ASP HB2 1 24 GLY H 5.220 . 5.220 4.043 3.360 4.414 . 0 0 "[ . 1 . 2]" 2
356 1 23 ASP H 1 23 ASP HB3 3.670 . 3.670 2.916 2.239 3.656 . 0 0 "[ . 1 . 2]" 2
357 1 23 ASP H 1 23 ASP HB2 3.800 . 3.800 2.919 2.442 3.666 . 0 0 "[ . 1 . 2]" 2
358 1 23 ASP H 1 24 GLY HA2 4.440 . 4.440 4.571 4.524 4.605 0.165 17 0 "[ . 1 . 2]" 2
359 1 23 ASP H 1 24 GLY HA3 4.580 . 4.580 4.879 4.817 4.938 0.358 19 0 "[ . 1 . 2]" 2
360 1 23 ASP H 1 25 LYS HB2 5.500 . 5.500 4.922 4.509 6.437 0.937 19 1 "[ . 1 . +2]" 2
361 1 23 ASP H 1 25 LYS H 4.510 . 4.510 3.524 3.379 3.791 . 0 0 "[ . 1 . 2]" 2
362 1 24 GLY H 1 25 LYS HA 5.130 . 5.130 5.109 5.020 5.162 0.032 5 0 "[ . 1 . 2]" 2
363 1 24 GLY H 1 25 LYS HB2 5.060 . 5.060 4.832 4.582 6.022 0.962 19 1 "[ . 1 . +2]" 2
364 1 24 GLY H 1 25 LYS H 3.650 . 3.650 2.634 2.449 2.772 . 0 0 "[ . 1 . 2]" 2
365 1 25 LYS HA 1 26 MET H 2.870 . 2.870 2.531 2.384 2.683 . 0 0 "[ . 1 . 2]" 2
366 1 25 LYS HG3 1 26 MET H 4.170 . 4.170 4.181 3.251 4.586 0.416 16 0 "[ . 1 . 2]" 2
367 1 25 LYS HG2 1 26 MET H 4.360 . 4.360 3.871 3.334 4.385 0.025 9 0 "[ . 1 . 2]" 2
368 1 25 LYS H 1 26 MET H 4.530 . 4.530 4.476 4.384 4.544 0.014 14 0 "[ . 1 . 2]" 2
369 1 26 MET HA 1 27 GLY H 3.200 . 3.200 2.214 2.154 2.321 . 0 0 "[ . 1 . 2]" 2
370 1 26 MET ME 1 59 ILE HB 2.660 . 2.660 2.528 2.164 2.743 0.083 9 0 "[ . 1 . 2]" 2
371 1 26 MET ME 1 59 ILE HG12 4.640 . 4.640 2.773 1.793 4.569 0.007 9 0 "[ . 1 . 2]" 2
372 1 26 MET H 1 27 GLY H 4.650 . 4.650 4.310 4.228 4.370 . 0 0 "[ . 1 . 2]" 2
373 1 20 VAL QG 1 26 MET ME . . 6.000 3.893 2.812 4.453 . 0 0 "[ . 1 . 2]" 2
374 1 26 MET ME 1 59 ILE MD . . 6.000 3.345 2.601 3.924 . 0 0 "[ . 1 . 2]" 2
375 1 26 MET ME 1 59 ILE QG 4.500 . 4.500 2.237 1.766 3.141 0.034 9 0 "[ . 1 . 2]" 2
376 1 27 GLY HA3 1 28 MET H 3.470 . 3.470 2.995 2.867 3.162 . 0 0 "[ . 1 . 2]" 2
377 1 27 GLY HA2 1 28 MET H 3.330 . 3.330 2.231 2.131 2.332 . 0 0 "[ . 1 . 2]" 2
378 1 28 MET HA 1 29 GLU HA 5.030 . 5.030 4.416 4.393 4.444 . 0 0 "[ . 1 . 2]" 2
379 1 28 MET HA 1 29 GLU H 3.300 . 3.300 2.158 2.113 2.206 . 0 0 "[ . 1 . 2]" 2
380 1 28 MET H 1 28 MET HB3 3.870 . 3.870 2.638 2.522 2.968 . 0 0 "[ . 1 . 2]" 2
381 1 28 MET H 1 28 MET HB2 3.620 . 3.620 2.975 2.409 3.139 . 0 0 "[ . 1 . 2]" 2
382 1 12 LEU QD 1 28 MET ME 5.500 . 5.500 2.265 1.785 2.740 0.015 13 0 "[ . 1 . 2]" 2
383 1 18 VAL MG2 1 28 MET ME 5.500 . 5.500 3.340 2.452 3.983 . 0 0 "[ . 1 . 2]" 2
384 1 18 VAL MG1 1 28 MET ME 7.000 . 7.000 5.282 4.347 5.920 . 0 0 "[ . 1 . 2]" 2
385 1 29 GLU HA 1 30 ASN H 3.050 . 3.050 2.315 2.255 2.365 . 0 0 "[ . 1 . 2]" 2
386 1 29 GLU HA 1 34 LYS H 4.410 . 4.410 4.248 3.792 4.442 0.032 7 0 "[ . 1 . 2]" 2
387 1 29 GLU HA 1 35 SER HA 3.840 . 3.840 2.428 2.213 2.914 . 0 0 "[ . 1 . 2]" 2
388 1 29 GLU HA 1 35 SER QB 4.230 . 4.230 4.281 4.203 4.384 0.154 6 0 "[ . 1 . 2]" 2
389 1 29 GLU HA 1 36 MET QG 4.040 . 4.040 2.976 2.373 3.983 . 0 0 "[ . 1 . 2]" 2
390 1 29 GLU HA 1 36 MET H 3.730 . 3.730 2.877 2.596 3.055 . 0 0 "[ . 1 . 2]" 2
391 1 29 GLU HB3 1 33 GLY HA2 4.840 . 4.840 2.880 2.472 3.137 . 0 0 "[ . 1 . 2]" 2
392 1 29 GLU QG 1 30 ASN H 4.460 . 4.460 3.747 3.422 4.530 0.070 6 0 "[ . 1 . 2]" 2
393 1 29 GLU QG 1 33 GLY H 5.040 . 5.040 5.146 5.015 5.187 0.147 2 0 "[ . 1 . 2]" 2
394 1 29 GLU QG 1 34 LYS H 5.160 . 5.160 4.141 3.858 4.933 . 0 0 "[ . 1 . 2]" 2
395 1 29 GLU QG 1 35 SER H 5.500 . 5.500 3.540 2.819 5.576 0.076 6 0 "[ . 1 . 2]" 2
396 1 29 GLU QG 1 36 MET H 4.980 . 4.980 3.779 3.367 5.034 0.054 6 0 "[ . 1 . 2]" 2
397 1 29 GLU H 1 29 GLU HB3 3.920 . 3.920 3.703 3.617 3.808 . 0 0 "[ . 1 . 2]" 2
398 1 29 GLU H 1 29 GLU QG 4.160 . 4.160 3.267 2.519 3.644 . 0 0 "[ . 1 . 2]" 2
399 1 30 ASN HA 1 31 LYS H 3.570 . 3.570 2.426 2.340 2.479 . 0 0 "[ . 1 . 2]" 2
400 1 30 ASN HB2 1 31 LYS H 3.720 . 3.720 2.603 2.222 3.971 0.251 7 0 "[ . 1 . 2]" 2
401 1 30 ASN HB2 1 32 PHE QE 4.700 . 4.700 4.566 3.554 5.602 0.902 20 2 "[ . - 1 . +]" 2
402 1 30 ASN HB2 1 32 PHE H 4.710 . 4.710 3.273 2.779 4.353 . 0 0 "[ . 1 . 2]" 2
403 1 30 ASN HB2 1 34 LYS H 5.220 . 5.220 4.707 3.573 5.313 0.093 5 0 "[ . 1 . 2]" 2
404 1 30 ASN HB2 1 36 MET QG 5.350 . 5.350 4.766 2.237 5.369 0.019 16 0 "[ . 1 . 2]" 2
405 1 30 ASN HB3 1 31 LYS H 3.960 . 3.960 3.789 3.572 3.953 . 0 0 "[ . 1 . 2]" 2
406 1 30 ASN QD 1 31 LYS H 5.500 . 5.500 4.385 3.605 5.031 . 0 0 "[ . 1 . 2]" 2
407 1 30 ASN QD 1 32 PHE HB2 5.500 . 5.500 2.419 1.794 3.407 0.006 15 0 "[ . 1 . 2]" 2
408 1 30 ASN QD 1 32 PHE QD 5.500 . 5.500 2.351 1.742 3.522 0.058 7 0 "[ . 1 . 2]" 2
409 1 30 ASN QD 1 32 PHE H 3.650 . 3.650 3.332 2.386 3.726 0.076 6 0 "[ . 1 . 2]" 2
410 1 30 ASN QD 1 33 GLY H 4.350 . 4.350 4.394 2.656 4.667 0.317 7 0 "[ . 1 . 2]" 2
411 1 30 ASN QD 1 34 LYS HB2 4.980 . 4.980 3.034 1.686 5.068 0.114 3 0 "[ . 1 . 2]" 2
412 1 30 ASN QD 1 34 LYS HB3 5.140 . 5.140 3.916 3.148 5.204 0.064 20 0 "[ . 1 . 2]" 2
413 1 30 ASN QD 1 34 LYS HG2 5.500 . 5.500 3.295 2.576 4.443 . 0 0 "[ . 1 . 2]" 2
414 1 30 ASN QD 1 34 LYS H 5.300 . 5.300 3.481 1.762 4.154 0.038 5 0 "[ . 1 . 2]" 2
415 1 30 ASN H 1 30 ASN HB2 3.880 . 3.880 3.572 2.667 3.738 . 0 0 "[ . 1 . 2]" 2
416 1 30 ASN H 1 30 ASN HB3 4.050 . 4.050 2.730 2.584 2.888 . 0 0 "[ . 1 . 2]" 2
417 1 30 ASN H 1 31 LYS H 5.150 . 5.150 4.579 4.492 4.629 . 0 0 "[ . 1 . 2]" 2
418 1 30 ASN H 1 32 PHE H 4.620 . 4.620 4.055 3.849 4.526 . 0 0 "[ . 1 . 2]" 2
419 1 30 ASN H 1 33 GLY H 4.900 . 4.900 3.725 3.376 4.002 . 0 0 "[ . 1 . 2]" 2
420 1 30 ASN H 1 34 LYS HG2 5.500 . 5.500 4.933 3.477 5.384 . 0 0 "[ . 1 . 2]" 2
421 1 30 ASN H 1 34 LYS H 3.700 . 3.700 2.678 2.071 2.963 . 0 0 "[ . 1 . 2]" 2
422 1 30 ASN H 1 36 MET QG 4.210 . 4.210 3.252 2.776 4.249 0.039 20 0 "[ . 1 . 2]" 2
423 1 31 LYS HB3 1 32 PHE QE 5.320 . 5.320 5.549 5.134 5.961 0.641 8 2 "[ -. + 1 . 2]" 2
424 1 31 LYS HB3 1 32 PHE H 4.630 . 4.630 4.420 4.175 4.561 . 0 0 "[ . 1 . 2]" 2
425 1 31 LYS HB2 1 32 PHE H 5.330 . 5.330 4.178 3.845 4.351 . 0 0 "[ . 1 . 2]" 2
426 1 31 LYS QE 1 32 PHE H 5.430 . 5.430 5.171 4.773 5.530 0.100 16 0 "[ . 1 . 2]" 2
427 1 31 LYS HG3 1 32 PHE H 4.380 . 4.380 3.365 2.893 3.717 . 0 0 "[ . 1 . 2]" 2
428 1 31 LYS HG2 1 32 PHE H 4.250 . 4.250 3.518 2.696 4.029 . 0 0 "[ . 1 . 2]" 2
429 1 31 LYS H 1 31 LYS HB3 3.670 . 3.670 2.552 2.247 2.935 . 0 0 "[ . 1 . 2]" 2
430 1 31 LYS H 1 31 LYS HB2 3.870 . 3.870 3.568 3.507 3.609 . 0 0 "[ . 1 . 2]" 2
431 1 31 LYS H 1 32 PHE HB2 5.500 . 5.500 5.312 5.146 5.536 0.036 7 0 "[ . 1 . 2]" 2
432 1 31 LYS H 1 32 PHE QD 5.500 . 5.500 4.234 3.832 4.809 . 0 0 "[ . 1 . 2]" 2
433 1 31 LYS H 1 32 PHE H 3.850 . 3.850 3.038 2.960 3.147 . 0 0 "[ . 1 . 2]" 2
434 1 31 LYS H 1 33 GLY H 4.460 . 4.460 4.378 4.208 4.504 0.044 1 0 "[ . 1 . 2]" 2
435 1 32 PHE HB2 1 33 GLY H 4.570 . 4.570 3.578 3.436 3.742 . 0 0 "[ . 1 . 2]" 2
436 1 32 PHE HB2 1 34 LYS H 4.380 . 4.380 3.479 3.216 3.906 . 0 0 "[ . 1 . 2]" 2
437 1 32 PHE QD 1 33 GLY H 5.160 . 5.160 4.566 4.187 4.765 . 0 0 "[ . 1 . 2]" 2
438 1 32 PHE QD 1 34 LYS H 5.500 . 5.500 4.838 4.410 5.172 . 0 0 "[ . 1 . 2]" 2
439 1 32 PHE H 1 32 PHE HB2 3.510 . 3.510 2.568 2.483 2.670 . 0 0 "[ . 1 . 2]" 2
440 1 32 PHE H 1 32 PHE QD 4.100 . 4.100 2.799 2.386 3.409 . 0 0 "[ . 1 . 2]" 2
441 1 32 PHE H 1 33 GLY HA2 4.600 . 4.600 4.478 4.292 4.685 0.085 3 0 "[ . 1 . 2]" 2
442 1 32 PHE H 1 33 GLY H 3.320 . 3.320 2.177 2.004 2.416 . 0 0 "[ . 1 . 2]" 2
443 1 32 PHE H 1 34 LYS H 4.140 . 4.140 3.346 3.037 3.621 . 0 0 "[ . 1 . 2]" 2
444 1 31 LYS HB2 1 32 PHE QD 5.000 . 7.000 4.873 4.341 5.148 . 0 0 "[ . 1 . 2]" 2
445 1 31 LYS QE 1 32 PHE QD 3.400 . 5.400 4.138 3.759 5.030 . 0 0 "[ . 1 . 2]" 2
446 1 31 LYS HG3 1 32 PHE QD 5.000 . 7.000 3.167 2.666 3.610 . 0 0 "[ . 1 . 2]" 2
447 1 31 LYS HG2 1 32 PHE QD 5.000 . 7.000 3.538 2.738 4.179 . 0 0 "[ . 1 . 2]" 2
448 1 32 PHE QD 1 34 LYS QE 5.000 . 7.000 5.670 4.193 7.036 0.036 6 0 "[ . 1 . 2]" 2
449 1 31 LYS HB2 1 32 PHE QE 5.000 . 7.000 5.082 4.417 5.426 . 0 0 "[ . 1 . 2]" 2
450 1 31 LYS QD 1 32 PHE QE 3.400 . 5.400 3.748 3.157 4.377 . 0 0 "[ . 1 . 2]" 2
451 1 31 LYS QE 1 32 PHE QE 2.800 . 4.800 2.855 2.212 4.086 . 0 0 "[ . 1 . 2]" 2
452 1 31 LYS HG3 1 32 PHE QE 5.000 . 7.000 3.146 2.556 3.582 . 0 0 "[ . 1 . 2]" 2
453 1 31 LYS HG2 1 32 PHE QE 5.000 . 7.000 3.570 2.853 4.152 . 0 0 "[ . 1 . 2]" 2
454 1 31 LYS HB2 1 32 PHE HZ 5.000 . 7.000 5.898 5.091 6.365 . 0 0 "[ . 1 . 2]" 2
455 1 31 LYS QE 1 32 PHE HZ 2.800 . 4.800 3.455 2.434 4.828 0.028 5 0 "[ . 1 . 2]" 2
456 1 31 LYS HG3 1 32 PHE HZ 5.000 . 7.000 3.976 3.715 4.187 . 0 0 "[ . 1 . 2]" 2
457 1 31 LYS HG2 1 32 PHE HZ 5.000 . 7.000 4.988 4.068 5.620 . 0 0 "[ . 1 . 2]" 2
458 1 33 GLY H 1 34 LYS H 3.370 . 3.370 2.377 2.197 2.543 . 0 0 "[ . 1 . 2]" 2
459 1 34 LYS HA 1 35 SER H 2.780 . 2.780 2.188 2.032 3.504 0.724 20 1 "[ . 1 . +]" 2
460 1 34 LYS HB2 1 35 SER H 3.960 . 3.960 3.562 2.457 4.058 0.098 7 0 "[ . 1 . 2]" 2
461 1 34 LYS HB3 1 35 SER H 3.640 . 3.640 3.145 2.163 3.990 0.350 15 0 "[ . 1 . 2]" 2
462 1 34 LYS QD 1 35 SER H 4.230 . 4.230 3.427 2.995 4.110 . 0 0 "[ . 1 . 2]" 2
463 1 34 LYS HG2 1 35 SER H 4.450 . 4.450 4.765 4.558 5.053 0.603 4 2 "[ +. 1 - 2]" 2
464 1 34 LYS H 1 34 LYS HB2 3.270 . 3.270 2.852 2.261 3.870 0.600 13 5 "[ ** *1 + - 2]" 2
465 1 34 LYS H 1 34 LYS QD 4.270 . 4.270 3.948 3.632 4.249 . 0 0 "[ . 1 . 2]" 2
466 1 34 LYS H 1 35 SER H 4.770 . 4.770 4.386 3.458 4.483 . 0 0 "[ . 1 . 2]" 2
467 1 35 SER H 1 35 SER QB 2.990 . 2.990 2.601 2.254 3.165 0.175 20 0 "[ . 1 . 2]" 2
468 1 35 SER H 1 36 MET QG 5.500 . 5.500 4.795 2.726 5.529 0.029 9 0 "[ . 1 . 2]" 2
469 1 36 MET HA 1 37 ASN QD 4.440 . 4.440 3.662 2.822 4.260 . 0 0 "[ . 1 . 2]" 2
470 1 36 MET HA 1 37 ASN H 3.220 . 3.220 2.552 2.285 2.711 . 0 0 "[ . 1 . 2]" 2
471 1 36 MET HB2 1 37 ASN H 3.740 . 3.740 2.527 1.970 3.600 . 0 0 "[ . 1 . 2]" 2
472 1 36 MET QG 1 37 ASN H 4.600 . 4.600 3.776 3.238 4.570 . 0 0 "[ . 1 . 2]" 2
473 1 28 MET ME 1 36 MET ME 5.500 . 5.500 2.484 1.808 2.939 . 0 0 "[ . 1 . 2]" 2
474 1 37 ASN HA 1 38 MET H 2.970 . 2.970 2.247 2.130 2.366 . 0 0 "[ . 1 . 2]" 2
475 1 37 ASN HB3 1 38 MET H 4.130 . 4.130 3.531 2.550 4.099 . 0 0 "[ . 1 . 2]" 2
476 1 37 ASN HB2 1 38 MET H 3.900 . 3.900 3.291 2.517 4.221 0.321 17 0 "[ . 1 . 2]" 2
477 1 37 ASN H 1 37 ASN HB3 3.300 . 3.300 3.168 2.508 3.738 0.438 14 0 "[ . 1 . 2]" 2
478 1 38 MET HA 1 39 PRO HA 4.400 . 4.400 4.441 4.402 4.465 0.065 15 0 "[ . 1 . 2]" 2
479 1 38 MET HA 1 39 PRO HD2 3.390 . 3.390 2.194 1.966 2.569 . 0 0 "[ . 1 . 2]" 2
480 1 38 MET HA 1 39 PRO HD3 3.610 . 3.610 2.212 1.797 2.408 0.003 1 0 "[ . 1 . 2]" 2
481 1 38 MET HA 1 39 PRO HG3 4.630 . 4.630 4.316 3.985 4.457 . 0 0 "[ . 1 . 2]" 2
482 1 38 MET HA 1 39 PRO HG2 4.790 . 4.790 4.314 4.164 4.435 . 0 0 "[ . 1 . 2]" 2
483 1 38 MET HG3 1 39 PRO HD2 4.530 . 4.530 2.627 2.144 4.420 . 0 0 "[ . 1 . 2]" 2
484 1 38 MET HG3 1 39 PRO HD3 5.350 . 5.350 4.015 3.479 5.789 0.439 8 0 "[ . 1 . 2]" 2
485 1 38 MET HG3 1 39 PRO HG2 4.970 . 4.970 4.343 3.811 5.724 0.754 8 1 "[ . + 1 . 2]" 2
486 1 38 MET HG2 1 39 PRO HD2 4.870 . 4.870 3.232 2.692 4.763 . 0 0 "[ . 1 . 2]" 2
487 1 38 MET H 1 38 MET HB3 3.600 . 3.600 2.538 2.382 2.863 . 0 0 "[ . 1 . 2]" 2
488 1 38 MET H 1 38 MET HB2 3.450 . 3.450 2.854 2.587 3.669 0.219 8 0 "[ . 1 . 2]" 2
489 1 38 MET H 1 39 PRO HD2 5.220 . 5.220 4.918 4.754 5.263 0.043 1 0 "[ . 1 . 2]" 2
490 1 38 MET H 1 39 PRO HD3 4.940 . 4.940 4.691 4.361 5.021 0.081 18 0 "[ . 1 . 2]" 2
491 1 18 VAL MG2 1 38 MET ME 7.000 . 7.000 2.734 2.038 3.515 . 0 0 "[ . 1 . 2]" 2
492 1 18 VAL MG1 1 38 MET ME 7.000 . 7.000 2.641 1.804 3.546 . 0 0 "[ . 1 . 2]" 2
493 1 38 MET ME 1 52 ILE MD 7.000 . 7.000 3.182 2.404 4.456 . 0 0 "[ . 1 . 2]" 2
494 1 38 MET ME 1 59 ILE MD 7.000 . 7.000 2.280 1.795 3.029 0.005 3 0 "[ . 1 . 2]" 2
495 1 39 PRO HA 1 40 GLU H 2.860 . 2.860 2.187 2.126 2.320 . 0 0 "[ . 1 . 2]" 2
496 1 39 PRO HB3 1 40 GLU H 4.050 . 4.050 3.867 3.219 4.131 0.081 16 0 "[ . 1 . 2]" 2
497 1 39 PRO HB2 1 40 GLU H 3.890 . 3.890 3.407 2.807 3.970 0.080 1 0 "[ . 1 . 2]" 2
498 1 40 GLU HA 1 41 GLY HA3 5.110 . 5.110 4.467 4.393 5.205 0.095 13 0 "[ . 1 . 2]" 2
499 1 40 GLU HA 1 41 GLY HA2 4.830 . 4.830 4.463 4.419 4.538 . 0 0 "[ . 1 . 2]" 2
500 1 40 GLU HA 1 41 GLY H 3.640 . 3.640 2.276 2.147 3.531 . 0 0 "[ . 1 . 2]" 2
501 1 40 GLU HB3 1 41 GLY H 4.820 . 4.820 3.918 1.809 4.177 . 0 0 "[ . 1 . 2]" 2
502 1 40 GLU HB2 1 41 GLY H 4.530 . 4.530 4.091 3.405 4.260 . 0 0 "[ . 1 . 2]" 2
503 1 40 GLU HG3 1 41 GLY HA2 5.450 . 5.450 4.515 4.140 4.805 . 0 0 "[ . 1 . 2]" 2
504 1 40 GLU HG3 1 41 GLY H 4.980 . 4.980 2.985 2.734 3.959 . 0 0 "[ . 1 . 2]" 2
505 1 40 GLU HG3 1 55 LYS HA 4.310 . 4.310 1.921 1.762 2.762 0.038 12 0 "[ . 1 . 2]" 2
506 1 40 GLU HG3 1 56 GLY H 5.310 . 5.310 3.049 2.675 3.488 . 0 0 "[ . 1 . 2]" 2
507 1 40 GLU HG2 1 41 GLY H 4.920 . 4.920 2.709 2.179 3.129 . 0 0 "[ . 1 . 2]" 2
508 1 40 GLU HG2 1 55 LYS HA 3.950 . 3.950 2.874 2.365 3.378 . 0 0 "[ . 1 . 2]" 2
509 1 40 GLU HG2 1 55 LYS HD2 5.080 . 5.080 2.495 1.695 3.514 0.105 7 0 "[ . 1 . 2]" 2
510 1 40 GLU HG2 1 56 GLY H 4.810 . 4.810 3.773 3.190 4.390 . 0 0 "[ . 1 . 2]" 2
511 1 40 GLU H 1 40 GLU HB3 3.490 . 3.490 2.524 2.380 2.618 . 0 0 "[ . 1 . 2]" 2
512 1 40 GLU H 1 40 GLU HB2 3.300 . 3.300 2.688 2.431 3.053 . 0 0 "[ . 1 . 2]" 2
513 1 40 GLU H 1 41 GLY H 4.670 . 4.670 4.486 3.116 4.625 . 0 0 "[ . 1 . 2]" 2
514 1 41 GLY HA3 1 53 ILE MD 4.420 . 4.420 3.793 3.281 4.424 0.004 19 0 "[ . 1 . 2]" 2
515 1 41 GLY HA3 1 53 ILE QG 5.050 . 5.050 4.402 3.660 4.897 . 0 0 "[ . 1 . 2]" 2
516 1 41 GLY HA2 1 42 LYS HG2 5.500 . 5.500 5.496 4.938 6.080 0.580 9 1 "[ . +1 . 2]" 2
517 1 41 GLY HA2 1 53 ILE MD 4.450 . 4.450 2.394 1.786 3.337 0.014 13 0 "[ . 1 . 2]" 2
518 1 41 GLY HA2 1 53 ILE QG 5.370 . 5.370 3.365 2.325 3.951 . 0 0 "[ . 1 . 2]" 2
519 1 41 GLY H 1 42 LYS H 4.170 . 4.170 2.541 2.296 3.244 . 0 0 "[ . 1 . 2]" 2
520 1 41 GLY H 1 53 ILE MD 5.200 . 5.200 2.694 1.746 4.209 0.054 4 0 "[ . 1 . 2]" 2
521 1 41 GLY H 1 53 ILE QG 5.500 . 5.500 2.736 2.413 4.308 . 0 0 "[ . 1 . 2]" 2
522 1 42 LYS HA 1 43 VAL QG 4.350 . 4.350 3.744 3.605 4.059 . 0 0 "[ . 1 . 2]" 2
523 1 42 LYS HA 1 43 VAL H 3.290 . 3.290 2.148 2.101 2.199 . 0 0 "[ . 1 . 2]" 2
524 1 42 LYS QE 1 43 VAL H 5.190 . 5.190 4.621 3.136 5.304 0.114 13 0 "[ . 1 . 2]" 2
525 1 42 LYS HG2 1 43 VAL H 5.200 . 5.200 4.651 4.069 5.198 . 0 0 "[ . 1 . 2]" 2
526 1 42 LYS H 1 42 LYS HG3 5.500 . 5.500 3.435 2.449 4.163 . 0 0 "[ . 1 . 2]" 2
527 1 42 LYS H 1 43 VAL H 5.140 . 5.140 4.421 4.321 4.570 . 0 0 "[ . 1 . 2]" 2
528 1 42 LYS H 1 53 ILE HA 5.350 . 5.350 4.890 4.477 5.387 0.037 9 0 "[ . 1 . 2]" 2
529 1 42 LYS H 1 53 ILE MD 4.880 . 4.880 3.558 1.989 4.502 . 0 0 "[ . 1 . 2]" 2
530 1 42 LYS H 1 53 ILE QG . . 4.820 2.873 2.490 3.896 . 0 0 "[ . 1 . 2]" 2
531 1 42 LYS H 1 54 MET H 5.360 . 5.360 4.071 3.680 4.932 . 0 0 "[ . 1 . 2]" 2
532 1 43 VAL HA 1 44 MET H 3.590 . 3.590 2.140 2.095 2.195 . 0 0 "[ . 1 . 2]" 2
533 1 43 VAL HA 1 52 ILE H 5.270 . 5.270 4.183 3.978 4.403 . 0 0 "[ . 1 . 2]" 2
534 1 43 VAL HA 1 53 ILE HA 3.610 . 3.610 3.071 2.741 3.647 0.037 4 0 "[ . 1 . 2]" 2
535 1 43 VAL HA 1 53 ILE HB 4.120 . 4.120 1.810 1.658 2.321 0.142 10 0 "[ . 1 . 2]" 2
536 1 43 VAL HA 1 53 ILE QG 5.380 . 5.380 3.496 3.217 4.168 . 0 0 "[ . 1 . 2]" 2
537 1 43 VAL QG 1 44 MET H . . 4.340 2.577 2.395 2.789 . 0 0 "[ . 1 . 2]" 2
538 1 43 VAL QG 1 44 MET HB2 5.390 . 5.390 4.514 4.264 5.023 . 0 0 "[ . 1 . 2]" 2
539 1 43 VAL QG 1 45 GLU H 5.500 . 5.500 4.580 4.264 4.868 . 0 0 "[ . 1 . 2]" 2
540 1 43 VAL QG 1 51 LYS HA 5.370 . 5.370 3.410 3.204 3.625 . 0 0 "[ . 1 . 2]" 2
541 1 43 VAL QG 1 51 LYS H 5.500 . 5.500 4.873 4.635 5.258 . 0 0 "[ . 1 . 2]" 2
542 1 43 VAL QG 1 52 ILE H 5.240 . 5.240 2.806 2.580 3.016 . 0 0 "[ . 1 . 2]" 2
543 1 43 VAL H 1 43 VAL HB 3.480 . 3.480 2.826 2.545 2.973 . 0 0 "[ . 1 . 2]" 2
544 1 43 VAL H 1 53 ILE HA 5.500 . 5.500 5.375 5.004 6.014 0.514 4 1 "[ +. 1 . 2]" 2
545 1 44 MET HA 1 45 GLU H 3.130 . 3.130 2.316 2.207 2.511 . 0 0 "[ . 1 . 2]" 2
546 1 44 MET HA 1 52 ILE H 5.500 . 5.500 4.695 4.553 4.933 . 0 0 "[ . 1 . 2]" 2
547 1 44 MET HB3 1 45 GLU H 4.300 . 4.300 2.720 2.205 3.884 . 0 0 "[ . 1 . 2]" 2
548 1 44 MET HB3 1 52 ILE MD 5.060 . 5.060 4.285 3.100 5.124 0.064 3 0 "[ . 1 . 2]" 2
549 1 44 MET QG 1 45 GLU H 4.290 . 4.290 3.805 3.598 4.103 . 0 0 "[ . 1 . 2]" 2
550 1 44 MET QG 1 52 ILE H 5.500 . 5.500 5.228 3.216 5.631 0.131 19 0 "[ . 1 . 2]" 2
551 1 44 MET H 1 44 MET HB2 4.080 . 4.080 2.625 2.383 3.733 . 0 0 "[ . 1 . 2]" 2
552 1 44 MET H 1 45 GLU H 5.430 . 5.430 4.469 4.408 4.519 . 0 0 "[ . 1 . 2]" 2
553 1 44 MET H 1 51 LYS HA 5.500 . 5.500 4.447 4.231 4.710 . 0 0 "[ . 1 . 2]" 2
554 1 44 MET H 1 52 ILE MD 5.500 . 5.500 4.545 4.056 4.854 . 0 0 "[ . 1 . 2]" 2
555 1 44 MET H 1 52 ILE HG12 5.140 . 5.140 3.670 2.780 4.053 . 0 0 "[ . 1 . 2]" 2
556 1 44 MET H 1 52 ILE H 4.710 . 4.710 2.778 2.578 3.029 . 0 0 "[ . 1 . 2]" 2
557 1 44 MET H 1 53 ILE HA 4.890 . 4.890 3.681 3.329 4.035 . 0 0 "[ . 1 . 2]" 2
558 1 12 LEU QD 1 44 MET ME 7.000 . 7.000 2.676 2.024 3.677 . 0 0 "[ . 1 . 2]" 2
559 1 18 VAL MG1 1 44 MET ME 7.000 . 7.000 4.227 2.960 5.267 . 0 0 "[ . 1 . 2]" 2
560 1 44 MET ME 1 59 ILE QG 7.000 . 7.000 5.490 3.964 6.283 . 0 0 "[ . 1 . 2]" 2
561 1 45 GLU HA 1 46 THR H 3.350 . 3.350 2.239 2.123 2.402 . 0 0 "[ . 1 . 2]" 2
562 1 45 GLU HA 1 51 LYS H 5.320 . 5.320 4.964 4.704 5.389 0.069 2 0 "[ . 1 . 2]" 2
563 1 45 GLU HA 1 52 ILE H 4.720 . 4.720 3.696 3.391 4.199 . 0 0 "[ . 1 . 2]" 2
564 1 45 GLU HB3 1 46 THR H 4.540 . 4.540 2.986 2.141 3.937 . 0 0 "[ . 1 . 2]" 2
565 1 45 GLU HB2 1 46 THR H 4.470 . 4.470 3.881 3.561 4.176 . 0 0 "[ . 1 . 2]" 2
566 1 45 GLU QG 1 46 THR H . . 4.830 2.888 2.133 3.333 . 0 0 "[ . 1 . 2]" 2
567 1 45 GLU QG 1 49 GLY H 5.500 . 5.500 4.872 3.544 5.453 . 0 0 "[ . 1 . 2]" 2
568 1 45 GLU QG 1 51 LYS QE 4.280 . 4.280 3.408 1.802 4.213 . 0 0 "[ . 1 . 2]" 2
569 1 45 GLU QG 1 51 LYS HG2 4.850 . 4.850 2.832 1.932 4.709 . 0 0 "[ . 1 . 2]" 2
570 1 45 GLU H 1 45 GLU HB3 3.380 . 3.380 3.178 2.391 3.650 0.270 16 0 "[ . 1 . 2]" 2
571 1 45 GLU H 1 45 GLU HB2 3.840 . 3.840 2.510 2.234 2.932 . 0 0 "[ . 1 . 2]" 2
572 1 45 GLU H 1 51 LYS HA 5.470 . 5.470 4.881 4.660 5.190 . 0 0 "[ . 1 . 2]" 2
573 1 46 THR HA 1 47 ARG QG 4.260 . 4.260 4.038 3.842 4.314 0.054 18 0 "[ . 1 . 2]" 2
574 1 46 THR HA 1 48 ASP H 4.590 . 4.590 4.039 3.748 4.589 . 0 0 "[ . 1 . 2]" 2
575 1 46 THR HB 1 47 ARG H 3.780 . 3.780 2.478 2.339 2.649 . 0 0 "[ . 1 . 2]" 2
576 1 46 THR HB 1 48 ASP H 3.880 . 3.880 2.671 2.281 3.375 . 0 0 "[ . 1 . 2]" 2
577 1 46 THR HB 1 49 GLY H 4.980 . 4.980 3.913 3.617 4.365 . 0 0 "[ . 1 . 2]" 2
578 1 46 THR MG 1 47 ARG H 4.590 . 4.590 3.719 3.551 3.861 . 0 0 "[ . 1 . 2]" 2
579 1 46 THR MG 1 48 ASP H 4.740 . 4.740 4.126 3.844 4.603 . 0 0 "[ . 1 . 2]" 2
580 1 46 THR MG 1 49 GLY H 5.500 . 5.500 4.450 4.224 5.040 . 0 0 "[ . 1 . 2]" 2
581 1 46 THR MG 1 51 LYS HA 4.680 . 4.680 3.685 2.984 4.019 . 0 0 "[ . 1 . 2]" 2
582 1 46 THR H 1 50 THR H 4.480 . 4.480 3.103 2.645 3.701 . 0 0 "[ . 1 . 2]" 2
583 1 46 THR H 1 51 LYS HA 4.220 . 4.220 3.773 3.356 4.190 . 0 0 "[ . 1 . 2]" 2
584 1 46 THR H 1 51 LYS HG2 5.500 . 5.500 4.864 3.855 6.317 0.817 7 2 "[ . + 1 - 2]" 2
585 1 12 LEU QD 1 46 THR MG 7.000 . 7.000 2.538 2.011 3.256 . 0 0 "[ . 1 . 2]" 2
586 1 46 THR MG 1 52 ILE QG 7.000 . 7.000 2.950 2.184 3.748 . 0 0 "[ . 1 . 2]" 2
587 1 47 ARG QB 1 48 ASP H 4.100 . 4.100 3.063 2.521 3.602 . 0 0 "[ . 1 . 2]" 2
588 1 47 ARG QB 1 48 ASP QB 4.470 . 4.470 3.853 3.334 4.321 . 0 0 "[ . 1 . 2]" 2
589 1 47 ARG QG 1 48 ASP H 4.600 . 4.600 3.872 2.429 4.479 . 0 0 "[ . 1 . 2]" 2
590 1 47 ARG H 1 47 ARG QB . . 3.910 2.447 2.234 2.736 . 0 0 "[ . 1 . 2]" 2
591 1 47 ARG H 1 48 ASP H 4.030 . 4.030 2.780 2.539 3.245 . 0 0 "[ . 1 . 2]" 2
592 1 48 ASP HA 1 50 THR H 5.200 . 5.200 4.939 4.548 5.382 0.182 14 0 "[ . 1 . 2]" 2
593 1 48 ASP QB 1 49 GLY H 5.180 . 5.180 3.305 2.471 3.870 . 0 0 "[ . 1 . 2]" 2
594 1 48 ASP H 1 49 GLY HA2 5.140 . 5.140 4.625 4.526 4.822 . 0 0 "[ . 1 . 2]" 2
595 1 48 ASP H 1 49 GLY H 3.790 . 3.790 2.287 2.158 2.479 . 0 0 "[ . 1 . 2]" 2
596 1 48 ASP H 1 50 THR H 4.520 . 4.520 3.554 3.408 3.729 . 0 0 "[ . 1 . 2]" 2
597 1 49 GLY H 1 50 THR HA 5.000 . 5.000 4.836 4.483 5.039 0.039 17 0 "[ . 1 . 2]" 2
598 1 49 GLY H 1 50 THR MG 5.480 . 5.480 5.129 3.388 5.563 0.083 1 0 "[ . 1 . 2]" 2
599 1 50 THR HB 1 51 LYS H 4.470 . 4.470 3.491 2.230 4.137 . 0 0 "[ . 1 . 2]" 2
600 1 50 THR MG 1 51 LYS H 4.120 . 4.120 2.495 1.807 3.393 . 0 0 "[ . 1 . 2]" 2
601 1 50 THR H 1 50 THR HB 3.840 . 3.840 2.824 2.386 3.681 . 0 0 "[ . 1 . 2]" 2
602 1 50 THR H 1 51 LYS H 5.130 . 5.130 4.507 4.437 4.549 . 0 0 "[ . 1 . 2]" 2
603 1 46 THR MG 1 50 THR MG 7.000 . 7.000 3.577 2.124 4.983 . 0 0 "[ . 1 . 2]" 2
604 1 51 LYS HG2 1 52 ILE H 5.500 . 5.500 4.495 4.041 5.198 . 0 0 "[ . 1 . 2]" 2
605 1 51 LYS HG3 1 52 ILE H 5.460 . 5.460 5.021 4.405 5.410 . 0 0 "[ . 1 . 2]" 2
606 1 51 LYS H 1 51 LYS HB3 3.890 . 3.890 3.749 3.654 3.818 . 0 0 "[ . 1 . 2]" 2
607 1 51 LYS H 1 52 ILE H 5.500 . 5.500 4.424 4.381 4.467 . 0 0 "[ . 1 . 2]" 2
608 1 52 ILE HA 1 53 ILE MG 5.080 . 5.080 3.392 3.193 3.602 . 0 0 "[ . 1 . 2]" 2
609 1 52 ILE HA 1 60 PHE QE 4.440 . 4.440 2.504 2.042 2.873 . 0 0 "[ . 1 . 2]" 2
610 1 52 ILE HA 1 60 PHE H 5.500 . 5.500 4.904 4.736 5.226 . 0 0 "[ . 1 . 2]" 2
611 1 52 ILE HA 1 61 ARG H 5.500 . 5.500 4.978 4.589 5.388 . 0 0 "[ . 1 . 2]" 2
612 1 52 ILE HA 1 62 LEU H 5.000 . 5.000 3.610 2.836 4.364 . 0 0 "[ . 1 . 2]" 2
613 1 52 ILE HB 1 53 ILE H 3.820 . 3.820 2.585 2.323 2.719 . 0 0 "[ . 1 . 2]" 2
614 1 52 ILE HB 1 59 ILE HG12 5.240 . 5.240 4.745 2.872 5.944 0.704 7 2 "[ . + 1 . - 2]" 2
615 1 52 ILE HB 1 59 ILE MG 3.960 . 3.960 3.815 3.355 4.066 0.106 2 0 "[ . 1 . 2]" 2
616 1 52 ILE MD 1 53 ILE H 5.320 . 5.320 4.398 4.088 4.650 . 0 0 "[ . 1 . 2]" 2
617 1 52 ILE HG12 1 53 ILE H 5.120 . 5.120 4.761 4.239 4.960 . 0 0 "[ . 1 . 2]" 2
618 1 52 ILE H 1 60 PHE QE 5.500 . 5.500 3.534 3.307 4.056 . 0 0 "[ . 1 . 2]" 2
619 1 52 ILE H 1 60 PHE HZ 5.500 . 5.500 5.604 5.525 5.744 0.244 19 0 "[ . 1 . 2]" 2
620 1 18 VAL MG2 1 52 ILE MD 7.000 . 7.000 2.245 1.788 3.004 0.012 14 0 "[ . 1 . 2]" 2
621 1 18 VAL MG1 1 52 ILE MD 7.000 . 7.000 2.385 1.896 3.628 . 0 0 "[ . 1 . 2]" 2
622 1 44 MET ME 1 52 ILE MD 7.000 . 7.000 3.198 2.466 4.755 . 0 0 "[ . 1 . 2]" 2
623 1 46 THR MG 1 52 ILE MD 7.000 . 7.000 2.734 2.229 3.330 . 0 0 "[ . 1 . 2]" 2
624 1 52 ILE MD 1 59 ILE MD 7.000 . 7.000 2.869 1.956 3.332 . 0 0 "[ . 1 . 2]" 2
625 1 46 THR MG 1 52 ILE MG 7.000 . 7.000 2.774 2.079 3.284 . 0 0 "[ . 1 . 2]" 2
626 1 52 ILE MG 1 59 ILE MG 7.000 . 7.000 3.841 3.305 4.555 . 0 0 "[ . 1 . 2]" 2
627 1 53 ILE HA 1 60 PHE QE 5.340 . 5.340 5.530 5.334 5.712 0.372 10 0 "[ . 1 . 2]" 2
628 1 53 ILE HB 1 54 MET H 4.860 . 4.860 3.696 3.597 3.800 . 0 0 "[ . 1 . 2]" 2
629 1 53 ILE MD 1 55 LYS HB3 4.620 . 4.620 3.634 2.881 4.471 . 0 0 "[ . 1 . 2]" 2
630 1 53 ILE MD 1 55 LYS HB2 4.580 . 4.580 2.378 1.835 3.065 . 0 0 "[ . 1 . 2]" 2
631 1 53 ILE MD 1 55 LYS HD3 5.170 . 5.170 3.015 2.192 4.862 . 0 0 "[ . 1 . 2]" 2
632 1 53 ILE MD 1 55 LYS HD2 5.500 . 5.500 3.800 2.263 4.422 . 0 0 "[ . 1 . 2]" 2
633 1 53 ILE MD 1 55 LYS QG 4.380 . 4.380 3.497 1.883 4.373 . 0 0 "[ . 1 . 2]" 2
634 1 53 ILE MD 1 56 GLY H 5.500 . 5.500 5.551 5.245 5.656 0.156 17 0 "[ . 1 . 2]" 2
635 1 53 ILE QG 1 54 MET H . . 4.740 2.007 1.750 2.646 0.050 10 0 "[ . 1 . 2]" 2
636 1 53 ILE MG 1 60 PHE QB . . 3.970 1.919 1.768 2.332 0.032 2 0 "[ . 1 . 2]" 2
637 1 53 ILE MG 1 61 ARG H 5.500 . 5.500 5.519 5.377 5.653 0.153 17 0 "[ . 1 . 2]" 2
638 1 53 ILE H 1 59 ILE HA 5.500 . 5.500 4.378 4.227 4.592 . 0 0 "[ . 1 . 2]" 2
639 1 53 ILE H 1 60 PHE QB . . 5.040 2.946 2.667 3.587 . 0 0 "[ . 1 . 2]" 2
640 1 53 ILE H 1 60 PHE QD 4.700 . 4.700 1.851 1.769 2.103 0.031 9 0 "[ . 1 . 2]" 2
641 1 53 ILE H 1 60 PHE H 4.820 . 4.820 3.036 2.764 3.346 . 0 0 "[ . 1 . 2]" 2
642 1 43 VAL QG 1 53 ILE MD 7.000 . 7.000 3.841 3.220 4.565 . 0 0 "[ . 1 . 2]" 2
643 1 43 VAL QG 1 53 ILE MG 7.000 . 7.000 2.522 2.218 2.883 . 0 0 "[ . 1 . 2]" 2
644 1 52 ILE MG 1 53 ILE MG 7.000 . 7.000 4.872 4.689 5.097 . 0 0 "[ . 1 . 2]" 2
645 1 53 ILE MG 1 59 ILE MG 7.000 . 7.000 5.325 4.800 5.846 . 0 0 "[ . 1 . 2]" 2
646 1 53 ILE MG 1 62 LEU QD 7.000 . 7.000 6.376 5.319 6.784 . 0 0 "[ . 1 . 2]" 2
647 1 54 MET HA 1 55 LYS H 3.610 . 3.610 2.150 2.120 2.186 . 0 0 "[ . 1 . 2]" 2
648 1 54 MET HA 1 58 GLU QB 4.660 . 4.660 4.803 4.710 4.919 0.259 4 0 "[ . 1 . 2]" 2
649 1 54 MET HA 1 58 GLU H 5.000 . 5.000 4.564 3.977 5.138 0.138 17 0 "[ . 1 . 2]" 2
650 1 54 MET HA 1 59 ILE HA 3.930 . 3.930 2.211 1.935 2.527 . 0 0 "[ . 1 . 2]" 2
651 1 54 MET HA 1 59 ILE MD 4.420 . 4.420 3.182 2.534 3.955 . 0 0 "[ . 1 . 2]" 2
652 1 54 MET HB2 1 55 LYS H 5.500 . 5.500 4.309 4.079 4.468 . 0 0 "[ . 1 . 2]" 2
653 1 54 MET HB2 1 59 ILE MD 4.980 . 4.980 2.985 2.380 3.919 . 0 0 "[ . 1 . 2]" 2
654 1 54 MET HG2 1 57 ASN H 5.500 . 5.500 3.899 3.102 5.740 0.240 11 0 "[ . 1 . 2]" 2
655 1 54 MET HG2 1 58 GLU H 5.130 . 5.130 3.983 3.119 4.729 . 0 0 "[ . 1 . 2]" 2
656 1 54 MET HG2 1 59 ILE HA 4.470 . 4.470 4.456 3.190 5.206 0.736 10 3 "[* . + .- 2]" 2
657 1 54 MET HG2 1 59 ILE MD 4.940 . 4.940 4.788 3.784 5.649 0.709 14 3 "[ . 1* +- 2]" 2
658 1 54 MET H 1 54 MET HG3 5.470 . 5.470 4.694 4.605 4.866 . 0 0 "[ . 1 . 2]" 2
659 1 55 LYS HA 1 56 GLY HA3 5.340 . 5.340 4.430 4.376 4.492 . 0 0 "[ . 1 . 2]" 2
660 1 55 LYS HA 1 56 GLY HA2 4.760 . 4.760 4.388 4.356 4.425 . 0 0 "[ . 1 . 2]" 2
661 1 55 LYS HB3 1 56 GLY H 4.980 . 4.980 4.038 3.325 4.291 . 0 0 "[ . 1 . 2]" 2
662 1 55 LYS HB2 1 56 GLY H 5.450 . 5.450 4.296 4.118 4.556 . 0 0 "[ . 1 . 2]" 2
663 1 55 LYS HD3 1 56 GLY H 5.340 . 5.340 4.380 3.762 5.311 . 0 0 "[ . 1 . 2]" 2
664 1 55 LYS HD2 1 56 GLY H 5.010 . 5.010 2.911 2.104 5.037 0.027 8 0 "[ . 1 . 2]" 2
665 1 55 LYS QG 1 56 GLY HA3 5.500 . 5.500 3.736 3.389 5.570 0.070 6 0 "[ . 1 . 2]" 2
666 1 55 LYS QG 1 56 GLY H 4.490 . 4.490 2.971 2.275 4.012 . 0 0 "[ . 1 . 2]" 2
667 1 55 LYS H 1 56 GLY H 5.500 . 5.500 4.197 3.908 4.352 . 0 0 "[ . 1 . 2]" 2
668 1 55 LYS H 1 57 ASN H 5.500 . 5.500 4.329 3.324 5.620 0.120 11 0 "[ . 1 . 2]" 2
669 1 55 LYS H 1 58 GLU H 4.330 . 4.330 3.201 2.893 3.879 . 0 0 "[ . 1 . 2]" 2
670 1 55 LYS H 1 59 ILE MD 5.500 . 5.500 4.862 4.315 5.577 0.077 16 0 "[ . 1 . 2]" 2
671 1 56 GLY HA2 1 58 GLU H 4.860 . 4.860 4.255 4.043 4.709 . 0 0 "[ . 1 . 2]" 2
672 1 56 GLY H 1 57 ASN H 4.510 . 4.510 2.805 2.533 4.601 0.091 11 0 "[ . 1 . 2]" 2
673 1 56 GLY H 1 58 GLU H 5.500 . 5.500 4.123 3.951 4.546 . 0 0 "[ . 1 . 2]" 2
674 1 57 ASN HB3 1 58 GLU H 4.880 . 4.880 3.998 3.061 4.534 . 0 0 "[ . 1 . 2]" 2
675 1 57 ASN HB2 1 58 GLU H 4.760 . 4.760 4.113 2.815 4.595 . 0 0 "[ . 1 . 2]" 2
676 1 57 ASN QD 1 58 GLU H 4.060 . 4.060 4.060 3.582 4.202 0.142 9 0 "[ . 1 . 2]" 2
677 1 57 ASN H 1 58 GLU QB 5.350 . 5.350 4.790 4.101 5.172 . 0 0 "[ . 1 . 2]" 2
678 1 57 ASN H 1 58 GLU QG 5.500 . 5.500 4.740 4.093 5.191 . 0 0 "[ . 1 . 2]" 2
679 1 57 ASN H 1 58 GLU H 3.880 . 3.880 2.652 1.936 3.149 . 0 0 "[ . 1 . 2]" 2
680 1 58 GLU HA 1 59 ILE MG 5.120 . 5.120 4.931 4.118 5.219 0.099 7 0 "[ . 1 . 2]" 2
681 1 58 GLU HA 1 59 ILE H 3.560 . 3.560 2.412 2.162 2.783 . 0 0 "[ . 1 . 2]" 2
682 1 58 GLU QB 1 59 ILE H 4.490 . 4.490 2.397 1.778 2.980 0.022 4 0 "[ . 1 . 2]" 2
683 1 58 GLU QG 1 59 ILE H 5.340 . 5.340 3.877 3.600 4.353 . 0 0 "[ . 1 . 2]" 2
684 1 58 GLU H 1 58 GLU QB 3.800 . 3.800 2.527 2.259 2.791 . 0 0 "[ . 1 . 2]" 2
685 1 58 GLU H 1 59 ILE H 5.460 . 5.460 4.449 4.270 4.599 . 0 0 "[ . 1 . 2]" 2
686 1 59 ILE HB 1 60 PHE H 5.210 . 5.210 4.454 4.191 4.536 . 0 0 "[ . 1 . 2]" 2
687 1 59 ILE HG12 1 60 PHE H 5.500 . 5.500 3.723 2.661 4.422 . 0 0 "[ . 1 . 2]" 2
688 1 59 ILE H 1 59 ILE HB 3.910 . 3.910 2.571 2.263 3.166 . 0 0 "[ . 1 . 2]" 2
689 1 59 ILE H 1 60 PHE H 5.500 . 5.500 4.265 4.101 4.364 . 0 0 "[ . 1 . 2]" 2
690 1 18 VAL MG2 1 59 ILE MD 7.000 . 7.000 4.025 3.397 4.633 . 0 0 "[ . 1 . 2]" 2
691 1 44 MET ME 1 59 ILE MD 7.000 . 7.000 4.338 3.101 5.260 . 0 0 "[ . 1 . 2]" 2
692 1 52 ILE MG 1 59 ILE MD 7.000 . 7.000 3.538 3.130 4.544 . 0 0 "[ . 1 . 2]" 2
693 1 52 ILE MD 1 59 ILE MG 7.000 . 7.000 4.318 3.647 4.654 . 0 0 "[ . 1 . 2]" 2
694 1 60 PHE HA 1 62 LEU H 5.500 . 5.500 5.320 4.960 5.624 0.124 20 0 "[ . 1 . 2]" 2
695 1 60 PHE HA 1 63 ASP QB 5.370 . 5.370 4.060 3.707 5.334 . 0 0 "[ . 1 . 2]" 2
696 1 60 PHE QB 1 61 ARG H 4.570 . 4.570 3.801 3.549 3.894 . 0 0 "[ . 1 . 2]" 2
697 1 60 PHE QB 1 63 ASP QB 3.800 . 3.800 3.598 3.203 5.392 1.592 20 1 "[ . 1 . +]" 2
698 1 60 PHE QD 1 62 LEU H 4.710 . 4.710 4.000 3.150 4.641 . 0 0 "[ . 1 . 2]" 2
699 1 60 PHE QD 1 63 ASP H . . 5.000 3.925 3.108 4.597 . 0 0 "[ . 1 . 2]" 2
700 1 60 PHE HZ 1 62 LEU H 5.500 . 5.500 4.403 3.659 5.262 . 0 0 "[ . 1 . 2]" 2
701 1 43 VAL QG 1 60 PHE QE 3.400 . 5.400 2.601 2.194 3.107 . 0 0 "[ . 1 . 2]" 2
702 1 51 LYS HA 1 60 PHE QE 5.000 . 7.000 4.247 3.874 4.885 . 0 0 "[ . 1 . 2]" 2
703 1 53 ILE MD 1 60 PHE QE 5.000 . 7.000 5.367 5.130 6.260 . 0 0 "[ . 1 . 2]" 2
704 1 53 ILE MG 1 60 PHE QE 5.000 . 7.000 2.870 2.448 3.231 . 0 0 "[ . 1 . 2]" 2
705 1 60 PHE QE 1 62 LEU HA 5.000 . 7.000 3.710 2.846 4.606 . 0 0 "[ . 1 . 2]" 2
706 1 60 PHE QE 1 62 LEU QD 5.000 . 7.000 4.470 3.182 5.062 . 0 0 "[ . 1 . 2]" 2
707 1 43 VAL QG 1 60 PHE QD 5.000 . 7.000 3.528 3.113 4.121 . 0 0 "[ . 1 . 2]" 2
708 1 52 ILE HA 1 60 PHE QD 3.400 . 5.400 2.042 1.763 2.655 0.037 10 0 "[ . 1 . 2]" 2
709 1 52 ILE MD 1 60 PHE QD 5.000 . 7.000 5.420 5.241 5.831 . 0 0 "[ . 1 . 2]" 2
710 1 53 ILE MD 1 60 PHE QD 5.000 . 7.000 4.398 3.786 5.279 . 0 0 "[ . 1 . 2]" 2
711 1 53 ILE MG 1 60 PHE QD 2.800 . 4.800 1.969 1.694 2.357 0.106 17 0 "[ . 1 . 2]" 2
712 1 54 MET HA 1 60 PHE QD 5.000 . 7.000 5.770 5.577 5.987 . 0 0 "[ . 1 . 2]" 2
713 1 59 ILE HA 1 60 PHE QD 3.400 . 5.400 5.355 5.156 5.519 0.119 19 0 "[ . 1 . 2]" 2
714 1 60 PHE QD 1 61 ARG H 5.000 . 5.000 4.038 3.364 4.254 . 0 0 "[ . 1 . 2]" 2
715 1 60 PHE QD 1 62 LEU HA 5.000 . 7.000 4.827 4.095 5.450 . 0 0 "[ . 1 . 2]" 2
716 1 60 PHE QD 1 62 LEU QD 5.000 . 7.000 5.257 4.626 5.567 . 0 0 "[ . 1 . 2]" 2
717 1 43 VAL QG 1 60 PHE HZ 3.400 . 5.400 3.568 3.147 4.504 . 0 0 "[ . 1 . 2]" 2
718 1 51 LYS HA 1 60 PHE HZ 5.000 . 7.000 5.657 5.388 5.937 . 0 0 "[ . 1 . 2]" 2
719 1 51 LYS QE 1 60 PHE HZ 5.000 . 7.000 6.159 5.105 7.012 0.012 12 0 "[ . 1 . 2]" 2
720 1 53 ILE MD 1 60 PHE HZ 5.000 . 7.000 6.517 5.908 7.372 0.372 4 0 "[ . 1 . 2]" 2
721 1 53 ILE MG 1 60 PHE HZ 5.000 . 7.000 4.090 3.671 4.576 . 0 0 "[ . 1 . 2]" 2
722 1 60 PHE HZ 1 61 ARG HA 5.000 . 7.000 5.643 4.531 6.187 . 0 0 "[ . 1 . 2]" 2
723 1 60 PHE HZ 1 62 LEU HA 5.000 . 7.000 3.878 2.546 5.299 . 0 0 "[ . 1 . 2]" 2
724 1 60 PHE HZ 1 62 LEU QD 5.000 . 7.000 4.837 3.826 5.752 . 0 0 "[ . 1 . 2]" 2
725 1 61 ARG QB 1 62 LEU QD 4.150 . 4.150 3.910 2.645 4.301 0.151 11 0 "[ . 1 . 2]" 2
726 1 61 ARG QB 1 63 ASP H 5.420 . 5.420 3.846 3.585 4.249 . 0 0 "[ . 1 . 2]" 2
727 1 61 ARG HG2 1 62 LEU H 4.650 . 4.650 3.713 2.666 5.612 0.962 16 2 "[ . 1 -+ 2]" 2
728 1 61 ARG H 1 62 LEU H 5.500 . 5.500 4.005 3.539 4.190 . 0 0 "[ . 1 . 2]" 2
729 1 61 ARG H 1 63 ASP QB 5.320 . 5.320 4.393 3.613 4.754 . 0 0 "[ . 1 . 2]" 2
730 1 61 ARG H 1 63 ASP H 4.890 . 4.890 2.754 2.572 3.093 . 0 0 "[ . 1 . 2]" 2
731 1 61 ARG H 1 64 GLU H 5.500 . 5.500 5.525 4.214 6.243 0.743 12 3 "[ . * 1 + . - 2]" 2
732 1 62 LEU HA 1 64 GLU H 5.500 . 5.500 4.716 3.661 7.064 1.564 20 4 "[ * . *1 . - +]" 2
733 1 62 LEU QB 1 63 ASP H . . 4.990 3.042 2.163 4.000 . 0 0 "[ . 1 . 2]" 2
734 1 62 LEU QB 1 66 LEU QD 4.000 . 4.000 4.174 3.546 5.880 1.880 1 4 "[+ * . -1 . * 2]" 2
735 1 62 LEU QD 1 63 ASP QB 4.870 . 4.870 4.303 2.404 4.887 0.017 7 0 "[ . 1 . 2]" 2
736 1 62 LEU QD 1 63 ASP H . . 4.740 3.843 2.942 4.109 . 0 0 "[ . 1 . 2]" 2
737 1 62 LEU QD 1 64 GLU H 5.500 . 5.500 3.876 2.487 5.183 . 0 0 "[ . 1 . 2]" 2
738 1 61 ARG H 1 62 LEU QD 5.270 . 5.270 4.992 4.016 5.317 0.047 2 0 "[ . 1 . 2]" 2
739 1 62 LEU HG 1 63 ASP H 5.110 . 5.110 4.501 2.786 5.198 0.088 12 0 "[ . 1 . 2]" 2
740 1 62 LEU HG 1 64 GLU H 5.430 . 5.430 4.844 3.082 5.520 0.090 17 0 "[ . 1 . 2]" 2
741 1 62 LEU HG 1 65 ALA MB 2.400 . 2.400 2.463 2.351 2.604 0.204 20 0 "[ . 1 . 2]" 2
742 1 62 LEU HG 1 65 ALA H 5.180 . 5.180 3.523 2.191 4.164 . 0 0 "[ . 1 . 2]" 2
743 1 62 LEU H 1 63 ASP H 5.260 . 5.260 3.224 3.021 3.600 . 0 0 "[ . 1 . 2]" 2
744 1 43 VAL QG 1 62 LEU QD 7.000 . 7.000 5.841 4.703 6.389 . 0 0 "[ . 1 . 2]" 2
745 1 63 ASP HA 1 64 GLU H 3.290 . 3.290 3.146 2.198 3.529 0.239 1 0 "[ . 1 . 2]" 2
746 1 63 ASP HA 1 65 ALA H 4.700 . 4.700 4.105 3.441 4.536 . 0 0 "[ . 1 . 2]" 2
747 1 63 ASP QB 1 66 LEU QD 5.300 . 5.300 4.100 3.675 4.662 . 0 0 "[ . 1 . 2]" 2
748 1 63 ASP QB 1 64 GLU H 4.750 . 4.750 2.891 2.327 4.006 . 0 0 "[ . 1 . 2]" 2
749 1 64 GLU HA 1 67 ARG HB3 3.930 . 3.930 2.611 1.463 4.858 0.928 10 2 "[ . + . -2]" 2
750 1 64 GLU HA 1 67 ARG QD 4.030 . 4.030 3.049 1.858 4.120 0.090 3 0 "[ . 1 . 2]" 2
751 1 64 GLU HA 1 67 ARG QG 4.090 . 4.090 3.295 1.841 4.040 . 0 0 "[ . 1 . 2]" 2
752 1 64 GLU HB3 1 65 ALA H 4.240 . 4.240 3.337 2.501 4.363 0.123 20 0 "[ . 1 . 2]" 2
753 1 64 GLU HB2 1 65 ALA H 4.260 . 4.260 3.761 2.567 4.322 0.062 20 0 "[ . 1 . 2]" 2
754 1 64 GLU QG 1 65 ALA H 4.440 . 4.440 3.724 2.284 4.462 0.022 7 0 "[ . 1 . 2]" 2
755 1 64 GLU H 1 64 GLU HB3 3.790 . 3.790 3.077 2.436 3.766 . 0 0 "[ . 1 . 2]" 2
756 1 64 GLU H 1 64 GLU HB2 3.890 . 3.890 2.983 2.418 3.681 . 0 0 "[ . 1 . 2]" 2
757 1 64 GLU H 1 65 ALA MB 5.000 . 5.000 4.108 3.489 4.598 . 0 0 "[ . 1 . 2]" 2
758 1 64 GLU H 1 65 ALA H 3.520 . 3.520 2.508 2.034 3.318 . 0 0 "[ . 1 . 2]" 2
759 1 65 ALA MB 1 66 LEU H 3.620 . 3.620 2.506 2.047 3.153 . 0 0 "[ . 1 . 2]" 2
760 1 65 ALA H 1 65 ALA MB 2.940 . 2.940 2.176 2.002 2.260 . 0 0 "[ . 1 . 2]" 2
761 1 65 ALA H 1 66 LEU H 3.720 . 3.720 2.716 2.408 3.034 . 0 0 "[ . 1 . 2]" 2
762 1 65 ALA MB 1 66 LEU QD 7.000 . 7.000 2.878 2.112 3.557 . 0 0 "[ . 1 . 2]" 2
763 1 65 ALA MB 1 66 LEU HG 7.000 . 7.000 3.695 2.581 5.004 . 0 0 "[ . 1 . 2]" 2
764 1 7 VAL QG 1 65 ALA MB 7.000 . 7.000 7.070 6.557 9.717 2.717 20 2 "[ . - 1 . +]" 2
765 1 66 LEU QD 1 67 ARG H . . 4.960 3.310 1.789 4.494 0.011 14 0 "[ . 1 . 2]" 2
766 1 66 LEU H 1 66 LEU QB 3.240 . 3.240 2.524 2.345 2.689 . 0 0 "[ . 1 . 2]" 2
767 1 59 ILE MG 1 66 LEU QD 7.000 . 7.000 3.075 2.130 4.273 . 0 0 "[ . 1 . 2]" 2
768 1 67 ARG QG 1 68 LYS H 4.690 . 4.690 2.964 1.692 3.773 0.108 2 0 "[ . 1 . 2]" 2
769 1 67 ARG H 1 67 ARG HB3 3.300 . 3.300 2.658 2.259 3.609 0.309 10 0 "[ . 1 . 2]" 2
770 1 67 ARG H 1 67 ARG HB2 3.580 . 3.580 2.730 2.401 3.709 0.129 20 0 "[ . 1 . 2]" 2
771 1 67 ARG H 1 68 LYS H 3.970 . 3.970 2.870 2.066 4.251 0.281 2 0 "[ . 1 . 2]" 2
772 1 68 LYS HA 1 69 GLY H 3.110 . 3.110 2.478 2.107 3.174 0.064 6 0 "[ . 1 . 2]" 2
773 1 68 LYS HB2 1 69 GLY H 4.260 . 4.260 3.811 2.293 4.487 0.227 13 0 "[ . 1 . 2]" 2
774 1 69 GLY QA 1 70 HIS H 3.560 . 3.560 2.554 2.098 2.903 . 0 0 "[ . 1 . 2]" 2
775 1 70 HIS HB3 1 71 SER H 5.110 . 5.110 3.619 1.844 4.586 . 0 0 "[ . 1 . 2]" 2
776 1 70 HIS HB2 1 71 SER H 5.120 . 5.120 3.900 1.875 4.593 . 0 0 "[ . 1 . 2]" 2
777 1 70 HIS H 1 70 HIS HB3 4.140 . 4.140 3.360 2.485 4.137 . 0 0 "[ . 1 . 2]" 2
778 1 66 LEU QD 1 70 HIS HD2 5.000 . 7.000 5.398 3.120 6.764 . 0 0 "[ . 1 . 2]" 2
779 1 71 SER HA 1 72 GLU H 3.410 . 3.410 2.640 2.123 3.526 0.116 10 0 "[ . 1 . 2]" 2
780 1 71 SER QB 1 72 GLU H 4.270 . 4.270 3.146 1.788 3.944 0.012 12 0 "[ . 1 . 2]" 2
781 1 72 GLU H 1 72 GLU HB3 3.710 . 3.710 3.077 2.309 4.050 0.340 14 0 "[ . 1 . 2]" 2
782 1 72 GLU H 1 72 GLU QG 4.700 . 4.700 3.148 1.849 4.534 . 0 0 "[ . 1 . 2]" 2
783 1 12 LEU QD 1 15 GLY H 5.500 . 5.500 4.423 4.066 4.617 . 0 0 "[ . 1 . 2]" 2
784 1 3 MET HA 1 3 MET ME 4.500 . 4.500 3.217 1.803 3.690 . 0 0 "[ . 1 . 2]" 2
785 1 3 MET ME 1 9 THR HB 6.000 . 6.000 3.955 2.241 6.060 0.060 15 0 "[ . 1 . 2]" 2
786 1 18 VAL MG1 1 26 MET ME 6.000 . 6.000 4.692 3.169 5.197 . 0 0 "[ . 1 . 2]" 2
787 1 16 SER HB3 1 28 MET ME 6.000 . 6.000 2.454 1.790 3.226 0.010 15 0 "[ . 1 . 2]" 2
788 1 16 SER HB2 1 28 MET ME 6.000 . 6.000 2.867 2.536 3.227 . 0 0 "[ . 1 . 2]" 2
789 1 28 MET HA 1 28 MET ME 6.000 . 6.000 4.601 3.988 4.739 . 0 0 "[ . 1 . 2]" 2
790 1 16 SER HB2 1 36 MET ME 6.000 . 6.000 5.522 2.616 6.398 0.398 14 0 "[ . 1 . 2]" 2
791 1 28 MET HA 1 36 MET ME 6.000 . 6.000 5.704 4.859 6.065 0.065 18 0 "[ . 1 . 2]" 2
792 1 29 GLU HA 1 36 MET ME 6.000 . 6.000 4.861 3.355 5.596 . 0 0 "[ . 1 . 2]" 2
793 1 30 ASN HB2 1 36 MET ME 6.000 . 6.000 4.557 3.115 5.680 . 0 0 "[ . 1 . 2]" 2
794 1 30 ASN HB3 1 36 MET ME 6.000 . 6.000 3.702 1.812 5.540 . 0 0 "[ . 1 . 2]" 2
795 1 36 MET ME 1 38 MET HA 6.000 . 6.000 4.000 2.995 5.579 . 0 0 "[ . 1 . 2]" 2
796 1 36 MET ME 1 39 PRO HD2 6.000 . 6.000 4.632 3.783 6.026 0.026 15 0 "[ . 1 . 2]" 2
797 1 36 MET ME 1 39 PRO HD3 6.000 . 6.000 3.855 2.750 5.628 . 0 0 "[ . 1 . 2]" 2
798 1 26 MET ME 1 54 MET HA 6.000 . 6.000 3.728 3.194 4.539 . 0 0 "[ . 1 . 2]" 2
799 1 54 MET HA 1 54 MET ME 6.000 . 6.000 4.566 4.167 4.786 . 0 0 "[ . 1 . 2]" 2
800 1 54 MET ME 1 55 LYS HA 6.000 . 6.000 4.756 3.792 5.385 . 0 0 "[ . 1 . 2]" 2
801 1 26 MET ME 1 57 ASN HA 4.500 . 4.500 3.635 2.955 4.161 . 0 0 "[ . 1 . 2]" 2
802 1 26 MET ME 1 57 ASN HB3 6.000 . 6.000 4.817 3.803 5.653 . 0 0 "[ . 1 . 2]" 2
803 1 26 MET ME 1 57 ASN HB2 6.000 . 6.000 5.286 4.172 5.883 . 0 0 "[ . 1 . 2]" 2
804 1 54 MET ME 1 57 ASN HB3 6.000 . 6.000 4.616 3.251 6.040 0.040 13 0 "[ . 1 . 2]" 2
805 1 54 MET ME 1 57 ASN HB2 6.000 . 6.000 4.621 3.067 6.028 0.028 17 0 "[ . 1 . 2]" 2
806 1 26 MET ME 1 59 ILE HG13 6.000 . 6.000 2.876 1.853 3.299 . 0 0 "[ . 1 . 2]" 2
807 1 26 MET ME 1 59 ILE MG 6.000 . 6.000 3.822 3.587 4.008 . 0 0 "[ . 1 . 2]" 2
808 1 54 MET ME 1 59 ILE MD 6.000 . 6.000 5.244 4.699 5.743 . 0 0 "[ . 1 . 2]" 2
809 1 52 ILE HA 1 61 ARG HA 4.000 . 4.000 2.922 2.397 3.535 . 0 0 "[ . 1 . 2]" 2
810 1 48 ASP H 1 50 THR HG1 3.000 . 3.000 5.139 4.125 8.014 5.014 14 20 [*******-*****+******] 2
811 1 49 GLY H 1 50 THR HG1 4.000 . 4.000 4.459 3.550 6.728 2.728 5 5 "[* + * 1 - *. 2]" 2
812 1 47 ARG H 1 50 THR HG1 4.000 . 4.000 7.245 6.186 9.647 5.647 5 20 [****+***********-***] 2
813 1 46 THR H 1 50 THR HG1 5.000 . 5.000 5.618 4.602 6.524 1.524 5 13 "[** +*- ******. * *]" 2
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