NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404591 |
1x47   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x47
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 1198
_Distance_constraint_stats_list.Viol_count 1278
_Distance_constraint_stats_list.Viol_total 2030.006
_Distance_constraint_stats_list.Viol_max 0.991
_Distance_constraint_stats_list.Viol_rms 0.0423
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0794
_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 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 0.026 0.020 7 0 "[ . 1 . 2]"
1 10 VAL 2.043 0.337 9 0 "[ . 1 . 2]"
1 11 ILE 0.157 0.031 19 0 "[ . 1 . 2]"
1 16 LYS 1.888 0.649 6 1 "[ .+ 1 . 2]"
1 17 SER 0.374 0.318 2 0 "[ . 1 . 2]"
1 18 GLU 7.042 0.991 8 7 "[ .* + 1 **-* *]"
1 19 VAL 1.316 0.400 15 0 "[ . 1 . 2]"
1 20 CYS 1.882 0.649 6 1 "[ .+ 1 . 2]"
1 21 ILE 0.329 0.182 15 0 "[ . 1 . 2]"
1 22 LEU 0.254 0.025 9 0 "[ . 1 . 2]"
1 23 HIS 0.174 0.044 17 0 "[ . 1 . 2]"
1 24 GLU 0.991 0.252 11 0 "[ . 1 . 2]"
1 25 TYR 0.497 0.057 9 0 "[ . 1 . 2]"
1 26 MET 2.107 0.080 9 0 "[ . 1 . 2]"
1 27 GLN 0.009 0.007 4 0 "[ . 1 . 2]"
1 28 ARG 0.178 0.023 17 0 "[ . 1 . 2]"
1 29 VAL 0.047 0.023 17 0 "[ . 1 . 2]"
1 30 LEU 0.473 0.087 17 0 "[ . 1 . 2]"
1 31 LYS 7.259 0.751 6 4 "[ * .+ 1* . - 2]"
1 32 VAL 5.041 0.777 19 1 "[ . 1 . +2]"
1 33 ARG 4.043 0.618 5 2 "[ + - 1 . 2]"
1 34 PRO 2.220 0.618 5 2 "[ + - 1 . 2]"
1 35 VAL 0.160 0.035 13 0 "[ . 1 . 2]"
1 36 TYR 0.238 0.035 13 0 "[ . 1 . 2]"
1 37 ASN 0.636 0.410 4 0 "[ . 1 . 2]"
1 38 PHE 1.198 0.201 18 0 "[ . 1 . 2]"
1 39 PHE 1.164 0.201 18 0 "[ . 1 . 2]"
1 40 GLU 8.781 0.610 2 2 "[ + - 1 . 2]"
1 41 CYS 3.858 0.610 2 2 "[ + - 1 . 2]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASN 0.449 0.090 8 0 "[ . 1 . 2]"
1 44 PRO 0.047 0.030 1 0 "[ . 1 . 2]"
1 45 SER 1.752 0.895 19 2 "[ . - 1 . +2]"
1 46 GLU 1.701 0.895 19 2 "[ . - 1 . +2]"
1 47 PRO 0.447 0.056 3 0 "[ . 1 . 2]"
1 48 PHE 0.698 0.118 20 0 "[ . 1 . 2]"
1 49 GLY 0.231 0.118 20 0 "[ . 1 . 2]"
1 50 ALA 0.055 0.016 19 0 "[ . 1 . 2]"
1 51 SER 4.497 0.932 20 4 "[ . * *1 . * +]"
1 52 VAL 3.788 0.343 3 0 "[ . 1 . 2]"
1 53 THR 0.512 0.029 19 0 "[ . 1 . 2]"
1 54 ILE 0.986 0.444 19 0 "[ . 1 . 2]"
1 55 ASP 2.052 0.777 19 1 "[ . 1 . +2]"
1 56 GLY 0.186 0.029 19 0 "[ . 1 . 2]"
1 57 VAL 0.232 0.051 19 0 "[ . 1 . 2]"
1 58 THR 0.135 0.047 20 0 "[ . 1 . 2]"
1 59 TYR 4.663 0.343 3 0 "[ . 1 . 2]"
1 60 GLY 4.239 0.650 3 2 "[ + . 1 . - 2]"
1 61 SER 6.737 0.932 20 4 "[ . * *1 . * +]"
1 62 GLY 0.622 0.408 18 0 "[ . 1 . 2]"
1 63 THR 0.328 0.260 4 0 "[ . 1 . 2]"
1 64 ALA 0.078 0.025 3 0 "[ . 1 . 2]"
1 65 SER 0.002 0.002 20 0 "[ . 1 . 2]"
1 66 SER 0.140 0.013 9 0 "[ . 1 . 2]"
1 67 LYS 7.800 0.891 17 9 "[* .* * ** . +-**]"
1 68 LYS 4.378 0.341 4 0 "[ . 1 . 2]"
1 69 LEU 11.806 0.734 6 8 "[ *-*+ * 1 ** *]"
1 70 ALA 2.319 0.146 18 0 "[ . 1 . 2]"
1 71 LYS 8.634 0.752 3 7 "[ + *- * 1 ** *]"
1 72 ASN 19.673 0.991 8 8 "[ * ** + 1 **- *]"
1 73 LYS 2.114 0.631 18 2 "[ -. 1 . + 2]"
1 74 ALA 4.064 0.650 3 2 "[ + . 1 . - 2]"
1 75 ALA 0.471 0.112 18 0 "[ . 1 . 2]"
1 76 ARG 2.877 0.988 18 1 "[ . 1 . + 2]"
1 77 ALA 0.956 0.382 18 0 "[ . 1 . 2]"
1 78 THR 0.878 0.292 12 0 "[ . 1 . 2]"
1 79 LEU 1.108 0.968 16 1 "[ . 1 .+ 2]"
1 80 GLU 0.177 0.088 12 0 "[ . 1 . 2]"
1 81 ILE 1.631 0.241 13 0 "[ . 1 . 2]"
1 82 LEU 0.309 0.031 15 0 "[ . 1 . 2]"
1 83 ILE 0.446 0.307 16 0 "[ . 1 . 2]"
1 84 PRO 0.064 0.047 16 0 "[ . 1 . 2]"
1 85 ASP 0.064 0.047 16 0 "[ . 1 . 2]"
1 86 PHE 3.796 0.968 16 3 "[ . 1*- .+ 2]"
1 87 VAL 3.680 0.683 11 2 "[ . 1+- . 2]"
1 88 LYS 3.404 0.404 2 0 "[ . 1 . 2]"
1 89 GLN 0.001 0.001 14 0 "[ . 1 . 2]"
1 90 THR 0.367 0.084 16 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 58 THR HA 1 59 TYR H . . 3.290 2.226 2.151 2.322 . 0 0 "[ . 1 . 2]" 1
2 1 59 TYR H 1 59 TYR HB3 . . 3.960 3.474 3.414 3.568 . 0 0 "[ . 1 . 2]" 1
3 1 35 VAL MG2 1 36 TYR H . . 3.730 3.723 3.663 3.765 0.035 13 0 "[ . 1 . 2]" 1
4 1 58 THR H 1 58 THR MG . . 4.250 3.668 3.615 3.711 . 0 0 "[ . 1 . 2]" 1
5 1 78 THR H 1 79 LEU H . . 3.740 2.924 2.776 3.026 . 0 0 "[ . 1 . 2]" 1
6 1 79 LEU H 1 80 GLU H . . 3.740 2.883 2.714 3.002 . 0 0 "[ . 1 . 2]" 1
7 1 78 THR HB 1 79 LEU H . . 4.050 2.755 2.591 2.952 . 0 0 "[ . 1 . 2]" 1
8 1 79 LEU H 1 79 LEU HB2 . . 3.560 2.153 2.103 2.207 . 0 0 "[ . 1 . 2]" 1
9 1 79 LEU H 1 79 LEU HG . . 3.590 2.795 2.647 2.956 . 0 0 "[ . 1 . 2]" 1
10 1 79 LEU H 1 79 LEU MD1 . . 4.050 3.842 3.679 3.963 . 0 0 "[ . 1 . 2]" 1
11 1 79 LEU H 1 79 LEU HB3 . . 3.810 3.449 3.416 3.477 . 0 0 "[ . 1 . 2]" 1
12 1 11 ILE H 1 11 ILE MD . . 4.090 3.290 1.791 3.991 . 0 0 "[ . 1 . 2]" 1
13 1 11 ILE H 1 11 ILE HB . . 3.530 2.932 2.316 3.560 0.030 15 0 "[ . 1 . 2]" 1
14 1 11 ILE H 1 11 ILE QG . . 3.260 2.581 1.975 3.159 . 0 0 "[ . 1 . 2]" 1
15 1 70 ALA H 1 72 ASN H . . 4.470 4.125 3.898 4.268 . 0 0 "[ . 1 . 2]" 1
16 1 72 ASN HA 1 75 ALA H . . 4.530 3.628 3.384 3.767 . 0 0 "[ . 1 . 2]" 1
17 1 54 ILE H 1 57 VAL H . . 3.990 3.391 2.872 3.647 . 0 0 "[ . 1 . 2]" 1
18 1 56 GLY H 1 57 VAL H . . 4.090 2.573 2.240 2.772 . 0 0 "[ . 1 . 2]" 1
19 1 53 THR HB 1 57 VAL H . . 4.430 4.160 3.668 4.438 0.008 11 0 "[ . 1 . 2]" 1
20 1 57 VAL H 1 57 VAL MG1 . . 4.460 3.655 3.617 3.688 . 0 0 "[ . 1 . 2]" 1
21 1 73 LYS H 1 74 ALA H . . 3.560 2.691 2.545 3.054 . 0 0 "[ . 1 . 2]" 1
22 1 74 ALA H 1 75 ALA MB . . 4.440 4.435 4.344 4.454 0.014 4 0 "[ . 1 . 2]" 1
23 1 71 LYS HA 1 74 ALA H . . 4.300 3.354 3.166 3.866 . 0 0 "[ . 1 . 2]" 1
24 1 73 LYS QB 1 74 ALA H . . 3.760 2.615 2.413 2.771 . 0 0 "[ . 1 . 2]" 1
25 1 73 LYS HG3 1 74 ALA H . . 4.780 4.628 4.407 4.756 . 0 0 "[ . 1 . 2]" 1
26 1 18 GLU H 1 18 GLU HB2 . . 4.120 2.041 2.024 2.066 . 0 0 "[ . 1 . 2]" 1
27 1 39 PHE QE 1 50 ALA H . . 4.540 4.010 3.193 4.540 . 0 0 "[ . 1 . 2]" 1
28 1 49 GLY HA2 1 50 ALA H . . 3.460 2.280 2.262 2.304 . 0 0 "[ . 1 . 2]" 1
29 1 49 GLY HA3 1 50 ALA H . . 3.630 3.051 3.009 3.089 . 0 0 "[ . 1 . 2]" 1
30 1 50 ALA H 1 70 ALA MB . . 3.790 2.506 2.131 2.791 . 0 0 "[ . 1 . 2]" 1
31 1 50 ALA H 1 63 THR MG . . 3.860 3.062 2.667 3.500 . 0 0 "[ . 1 . 2]" 1
32 1 40 GLU HB2 1 41 CYS H . . 3.900 3.399 2.475 4.371 0.471 9 0 "[ . 1 . 2]" 1
33 1 41 CYS H 1 47 PRO HA . . 4.220 3.024 2.483 4.174 . 0 0 "[ . 1 . 2]" 1
34 1 52 VAL H 1 61 SER HA . . 4.540 3.447 3.106 3.771 . 0 0 "[ . 1 . 2]" 1
35 1 88 LYS H 1 89 GLN H . . 4.000 3.300 2.110 4.001 0.001 14 0 "[ . 1 . 2]" 1
36 1 87 VAL HB 1 88 LYS H . . 3.910 3.146 1.984 3.868 . 0 0 "[ . 1 . 2]" 1
37 1 88 LYS H 1 88 LYS HB2 . . 3.380 2.603 2.057 3.539 0.159 6 0 "[ . 1 . 2]" 1
38 1 88 LYS H 1 88 LYS HG2 . . 4.290 4.228 3.588 4.608 0.318 17 0 "[ . 1 . 2]" 1
39 1 10 VAL H 1 10 VAL MG2 . . 3.690 3.092 1.978 4.027 0.337 9 0 "[ . 1 . 2]" 1
40 1 9 PHE HA 1 10 VAL H . . 3.390 2.341 2.193 2.632 . 0 0 "[ . 1 . 2]" 1
41 1 51 SER QB 1 52 VAL H . . 3.760 2.735 2.420 3.355 . 0 0 "[ . 1 . 2]" 1
42 1 35 VAL H 1 52 VAL MG1 . . 4.390 4.173 3.790 4.383 . 0 0 "[ . 1 . 2]" 1
43 1 20 CYS H 1 21 ILE H . . 4.120 2.651 2.396 2.867 . 0 0 "[ . 1 . 2]" 1
44 1 20 CYS H 1 20 CYS QB . . 3.670 2.162 2.037 2.440 . 0 0 "[ . 1 . 2]" 1
45 1 19 VAL HB 1 20 CYS H . . 4.080 3.822 3.534 4.033 . 0 0 "[ . 1 . 2]" 1
46 1 42 GLU H 1 43 ASN H . . 4.680 2.772 2.353 3.605 . 0 0 "[ . 1 . 2]" 1
47 1 41 CYS HB3 1 43 ASN H . . 4.280 3.194 2.562 3.813 . 0 0 "[ . 1 . 2]" 1
48 1 42 GLU HB3 1 43 ASN H . . 4.460 3.628 2.786 4.420 . 0 0 "[ . 1 . 2]" 1
49 1 43 ASN H 1 43 ASN HB2 . . 3.480 2.262 2.056 3.009 . 0 0 "[ . 1 . 2]" 1
50 1 43 ASN H 1 43 ASN HB3 . . 3.400 3.243 2.787 3.490 0.090 8 0 "[ . 1 . 2]" 1
51 1 37 ASN H 1 52 VAL HA . . 4.170 3.222 3.027 3.328 . 0 0 "[ . 1 . 2]" 1
52 1 54 ILE H 1 59 TYR QE . . 4.130 3.531 3.214 3.871 . 0 0 "[ . 1 . 2]" 1
53 1 32 VAL HA 1 33 ARG H . . 3.150 2.334 2.290 2.585 . 0 0 "[ . 1 . 2]" 1
54 1 33 ARG H 1 33 ARG HB2 . . 3.330 2.348 2.135 2.913 . 0 0 "[ . 1 . 2]" 1
55 1 36 TYR HA 1 37 ASN H . . 3.240 2.203 2.188 2.227 . 0 0 "[ . 1 . 2]" 1
56 1 21 ILE H 1 21 ILE HB . . 3.480 2.365 2.249 2.476 . 0 0 "[ . 1 . 2]" 1
57 1 39 PHE HA 1 40 GLU H . . 3.340 2.580 2.502 2.665 . 0 0 "[ . 1 . 2]" 1
58 1 39 PHE HB2 1 40 GLU H . . 3.390 2.300 2.118 2.467 . 0 0 "[ . 1 . 2]" 1
59 1 40 GLU H 1 40 GLU HG2 . . 4.120 2.928 1.943 4.253 0.133 3 0 "[ . 1 . 2]" 1
60 1 40 GLU H 1 40 GLU HB2 . . 3.450 3.029 2.194 3.630 0.180 19 0 "[ . 1 . 2]" 1
61 1 40 GLU H 1 40 GLU HB3 . . 3.460 2.927 2.366 3.483 0.023 4 0 "[ . 1 . 2]" 1
62 1 76 ARG H 1 76 ARG HB3 . . 3.460 2.593 2.466 3.520 0.060 18 0 "[ . 1 . 2]" 1
63 1 76 ARG H 1 76 ARG HB2 . . 3.400 2.456 2.316 2.797 . 0 0 "[ . 1 . 2]" 1
64 1 18 GLU HB3 1 76 ARG H . . 3.700 3.495 3.041 3.690 . 0 0 "[ . 1 . 2]" 1
65 1 18 GLU HG3 1 76 ARG H . . 4.520 4.152 3.817 4.435 . 0 0 "[ . 1 . 2]" 1
66 1 86 PHE H 1 86 PHE HB2 . . 3.570 2.671 2.291 3.090 . 0 0 "[ . 1 . 2]" 1
67 1 86 PHE H 1 86 PHE HB3 . . 3.570 2.596 2.173 3.753 0.183 14 0 "[ . 1 . 2]" 1
68 1 83 ILE HB 1 86 PHE H . . 4.030 3.982 3.746 4.046 0.016 12 0 "[ . 1 . 2]" 1
69 1 25 TYR H 1 25 TYR HB2 . . 3.780 2.470 2.435 2.501 . 0 0 "[ . 1 . 2]" 1
70 1 63 THR HB 1 64 ALA H . . 3.960 2.403 2.327 2.467 . 0 0 "[ . 1 . 2]" 1
71 1 46 GLU HB3 1 64 ALA H . . 3.860 2.334 2.103 2.539 . 0 0 "[ . 1 . 2]" 1
72 1 64 ALA H 1 70 ALA MB . . 3.850 3.044 2.749 3.393 . 0 0 "[ . 1 . 2]" 1
73 1 63 THR MG 1 64 ALA H . . 3.920 3.878 3.765 3.945 0.025 3 0 "[ . 1 . 2]" 1
74 1 37 ASN HA 1 38 PHE H . . 3.310 2.305 2.257 2.390 . 0 0 "[ . 1 . 2]" 1
75 1 37 ASN QB 1 38 PHE H . . 4.040 3.317 3.009 3.583 . 0 0 "[ . 1 . 2]" 1
76 1 73 LYS H 1 73 LYS QB . . 3.190 2.235 2.135 2.451 . 0 0 "[ . 1 . 2]" 1
77 1 73 LYS H 1 73 LYS HG3 . . 3.460 2.566 2.014 2.877 . 0 0 "[ . 1 . 2]" 1
78 1 73 LYS H 1 73 LYS HG2 . . 4.310 3.820 3.181 4.034 . 0 0 "[ . 1 . 2]" 1
79 1 37 ASN H 1 53 THR H . . 3.150 3.158 3.147 3.169 0.019 19 0 "[ . 1 . 2]" 1
80 1 35 VAL H 1 53 THR H . . 4.430 3.721 3.279 4.021 . 0 0 "[ . 1 . 2]" 1
81 1 52 VAL HA 1 53 THR H . . 3.340 2.205 2.182 2.245 . 0 0 "[ . 1 . 2]" 1
82 1 22 LEU H 1 23 HIS H . . 4.220 2.979 2.781 3.096 . 0 0 "[ . 1 . 2]" 1
83 1 22 LEU H 1 22 LEU HB3 . . 3.890 2.355 2.244 2.468 . 0 0 "[ . 1 . 2]" 1
84 1 21 ILE MG 1 22 LEU H . . 4.110 2.934 2.869 3.102 . 0 0 "[ . 1 . 2]" 1
85 1 21 ILE H 1 22 LEU H . . 3.960 3.088 2.880 3.197 . 0 0 "[ . 1 . 2]" 1
86 1 76 ARG H 1 77 ALA H . . 3.860 2.872 2.733 3.019 . 0 0 "[ . 1 . 2]" 1
87 1 77 ALA H 1 78 THR H . . 3.910 2.773 2.644 2.950 . 0 0 "[ . 1 . 2]" 1
88 1 76 ARG HB3 1 77 ALA H . . 3.640 2.776 2.513 3.894 0.254 18 0 "[ . 1 . 2]" 1
89 1 76 ARG HG2 1 77 ALA H . . 4.090 3.987 3.657 4.472 0.382 18 0 "[ . 1 . 2]" 1
90 1 74 ALA HA 1 77 ALA H . . 4.070 3.784 3.570 3.990 . 0 0 "[ . 1 . 2]" 1
91 1 39 PHE H 1 50 ALA HA . . 3.410 3.201 3.044 3.412 0.002 5 0 "[ . 1 . 2]" 1
92 1 69 LEU H 1 70 ALA H . . 3.580 3.075 2.986 3.144 . 0 0 "[ . 1 . 2]" 1
93 1 68 LYS HB2 1 69 LEU H . . 3.620 2.878 2.380 3.333 . 0 0 "[ . 1 . 2]" 1
94 1 69 LEU H 1 69 LEU HB2 . . 3.360 2.377 2.357 2.388 . 0 0 "[ . 1 . 2]" 1
95 1 68 LYS HB3 1 69 LEU H . . 3.320 2.779 2.377 3.300 . 0 0 "[ . 1 . 2]" 1
96 1 69 LEU H 1 69 LEU HG . . 3.340 3.362 3.351 3.372 0.032 18 0 "[ . 1 . 2]" 1
97 1 69 LEU H 1 69 LEU HB3 . . 3.510 3.533 3.525 3.537 0.027 6 0 "[ . 1 . 2]" 1
98 1 87 VAL H 1 87 VAL HB . . 3.780 3.157 2.386 3.782 0.002 7 0 "[ . 1 . 2]" 1
99 1 87 VAL H 1 87 VAL MG2 . . 3.730 2.431 1.967 3.723 . 0 0 "[ . 1 . 2]" 1
100 1 45 SER H 1 46 GLU H . . 3.450 3.031 2.855 3.168 . 0 0 "[ . 1 . 2]" 1
101 1 45 SER HB2 1 46 GLU H . . 4.200 2.863 2.161 3.912 . 0 0 "[ . 1 . 2]" 1
102 1 43 ASN HB2 1 46 GLU H . . 4.550 4.021 3.524 4.630 0.080 4 0 "[ . 1 . 2]" 1
103 1 46 GLU H 1 46 GLU QG . . 4.110 3.166 3.003 3.427 . 0 0 "[ . 1 . 2]" 1
104 1 46 GLU H 1 46 GLU HB2 . . 4.030 2.705 2.593 2.815 . 0 0 "[ . 1 . 2]" 1
105 1 68 LYS H 1 69 LEU H . . 4.470 3.037 2.935 3.159 . 0 0 "[ . 1 . 2]" 1
106 1 68 LYS H 1 68 LYS HB3 . . 4.090 3.307 2.992 3.545 . 0 0 "[ . 1 . 2]" 1
107 1 67 LYS HB2 1 68 LYS H . . 4.160 3.480 3.159 3.943 . 0 0 "[ . 1 . 2]" 1
108 1 67 LYS HB3 1 68 LYS H . . 4.280 2.630 2.346 2.886 . 0 0 "[ . 1 . 2]" 1
109 1 82 LEU H 1 83 ILE H . . 3.890 2.771 2.438 2.886 . 0 0 "[ . 1 . 2]" 1
110 1 82 LEU HB2 1 83 ILE H . . 4.110 2.206 2.004 2.768 . 0 0 "[ . 1 . 2]" 1
111 1 83 ILE H 1 83 ILE MG . . 4.530 3.745 3.710 3.809 . 0 0 "[ . 1 . 2]" 1
112 1 24 GLU H 1 25 TYR H . . 3.550 3.233 3.051 3.316 . 0 0 "[ . 1 . 2]" 1
113 1 23 HIS H 1 24 GLU H . . 2.880 2.836 2.730 2.883 0.003 5 0 "[ . 1 . 2]" 1
114 1 27 GLN H 1 28 ARG H . . 3.910 2.621 2.531 2.660 . 0 0 "[ . 1 . 2]" 1
115 1 24 GLU HA 1 27 GLN H . . 3.790 3.709 3.599 3.792 0.002 20 0 "[ . 1 . 2]" 1
116 1 27 GLN H 1 27 GLN QG . . 3.960 3.755 3.740 3.803 . 0 0 "[ . 1 . 2]" 1
117 1 26 MET HB2 1 27 GLN H . . 3.320 2.553 2.469 2.730 . 0 0 "[ . 1 . 2]" 1
118 1 82 LEU H 1 82 LEU HG . . 3.720 2.147 2.029 2.349 . 0 0 "[ . 1 . 2]" 1
119 1 82 LEU H 1 82 LEU HB2 . . 3.620 2.580 2.480 2.678 . 0 0 "[ . 1 . 2]" 1
120 1 78 THR MG 1 82 LEU H . . 4.270 4.160 3.895 4.273 0.003 5 0 "[ . 1 . 2]" 1
121 1 48 PHE H 1 64 ALA H . . 4.180 3.740 3.556 4.069 . 0 0 "[ . 1 . 2]" 1
122 1 48 PHE H 1 48 PHE QD . . 3.910 1.978 1.916 2.113 . 0 0 "[ . 1 . 2]" 1
123 1 48 PHE H 1 48 PHE HB2 . . 3.670 2.335 2.227 2.482 . 0 0 "[ . 1 . 2]" 1
124 1 47 PRO HG2 1 48 PHE H . . 4.370 3.248 2.965 3.483 . 0 0 "[ . 1 . 2]" 1
125 1 47 PRO HD2 1 48 PHE H . . 4.230 2.333 2.257 2.441 . 0 0 "[ . 1 . 2]" 1
126 1 18 GLU HB3 1 19 VAL H . . 4.110 2.623 2.282 3.183 . 0 0 "[ . 1 . 2]" 1
127 1 18 GLU H 1 19 VAL H . . 4.360 2.943 2.632 3.217 . 0 0 "[ . 1 . 2]" 1
128 1 19 VAL H 1 19 VAL HB . . 3.600 3.526 3.501 3.537 . 0 0 "[ . 1 . 2]" 1
129 1 19 VAL H 1 75 ALA MB . . 4.050 3.293 3.067 3.613 . 0 0 "[ . 1 . 2]" 1
130 1 29 VAL H 1 30 LEU H . . 3.470 2.336 2.225 2.504 . 0 0 "[ . 1 . 2]" 1
131 1 30 LEU H 1 31 LYS H . . 3.390 2.553 2.407 2.718 . 0 0 "[ . 1 . 2]" 1
132 1 30 LEU H 1 30 LEU HB3 . . 3.730 3.534 3.507 3.591 . 0 0 "[ . 1 . 2]" 1
133 1 29 VAL HB 1 30 LEU H . . 3.910 3.380 2.201 3.917 0.007 17 0 "[ . 1 . 2]" 1
134 1 68 LYS HA 1 71 LYS H . . 4.800 3.401 3.269 3.473 . 0 0 "[ . 1 . 2]" 1
135 1 71 LYS H 1 71 LYS HB3 . . 3.380 3.044 2.966 3.096 . 0 0 "[ . 1 . 2]" 1
136 1 71 LYS H 1 71 LYS QD . . 4.370 4.185 4.066 4.351 . 0 0 "[ . 1 . 2]" 1
137 1 81 ILE H 1 82 LEU H . . 3.660 2.940 2.726 3.026 . 0 0 "[ . 1 . 2]" 1
138 1 80 GLU H 1 81 ILE H . . 4.130 2.936 2.663 3.083 . 0 0 "[ . 1 . 2]" 1
139 1 78 THR HA 1 81 ILE H . . 3.880 3.520 3.209 3.678 . 0 0 "[ . 1 . 2]" 1
140 1 81 ILE H 1 81 ILE HG12 . . 3.430 3.426 3.372 3.456 0.026 15 0 "[ . 1 . 2]" 1
141 1 81 ILE H 1 81 ILE HG13 . . 3.810 2.206 2.137 2.283 . 0 0 "[ . 1 . 2]" 1
142 1 81 ILE H 1 81 ILE MD . . 4.420 3.581 3.477 3.672 . 0 0 "[ . 1 . 2]" 1
143 1 28 ARG H 1 29 VAL H . . 3.450 2.273 2.163 2.455 . 0 0 "[ . 1 . 2]" 1
144 1 27 GLN HB3 1 28 ARG H . . 3.820 3.622 3.547 3.650 . 0 0 "[ . 1 . 2]" 1
145 1 28 ARG H 1 28 ARG HG2 . . 4.230 4.233 4.160 4.251 0.021 20 0 "[ . 1 . 2]" 1
146 1 25 TYR H 1 26 MET H . . 4.180 2.925 2.822 3.041 . 0 0 "[ . 1 . 2]" 1
147 1 26 MET H 1 27 GLN H . . 4.080 2.892 2.780 2.973 . 0 0 "[ . 1 . 2]" 1
148 1 25 TYR HB3 1 26 MET H . . 4.030 2.536 2.418 2.656 . 0 0 "[ . 1 . 2]" 1
149 1 26 MET H 1 26 MET HG2 . . 3.840 3.535 3.433 3.634 . 0 0 "[ . 1 . 2]" 1
150 1 71 LYS H 1 72 ASN H . . 3.520 2.760 2.671 2.819 . 0 0 "[ . 1 . 2]" 1
151 1 72 ASN H 1 73 LYS H . . 3.480 2.745 2.575 2.820 . 0 0 "[ . 1 . 2]" 1
152 1 71 LYS HB3 1 72 ASN H . . 3.650 2.847 2.699 3.112 . 0 0 "[ . 1 . 2]" 1
153 1 19 VAL MG1 1 72 ASN H . . 4.630 3.514 3.188 3.801 . 0 0 "[ . 1 . 2]" 1
154 1 29 VAL H 1 29 VAL HB . . 3.870 3.308 2.386 3.643 . 0 0 "[ . 1 . 2]" 1
155 1 78 THR H 1 78 THR HB . . 3.600 2.394 2.286 2.493 . 0 0 "[ . 1 . 2]" 1
156 1 78 THR H 1 78 THR HG1 . . 3.580 2.085 1.948 2.269 . 0 0 "[ . 1 . 2]" 1
157 1 60 GLY HA2 1 78 THR H . . 4.280 3.725 3.440 3.902 . 0 0 "[ . 1 . 2]" 1
158 1 75 ALA HA 1 78 THR H . . 3.940 3.382 3.174 3.666 . 0 0 "[ . 1 . 2]" 1
159 1 31 LYS H 1 32 VAL H . . 3.500 2.507 2.336 3.047 . 0 0 "[ . 1 . 2]" 1
160 1 27 GLN HA 1 31 LYS H . . 3.680 2.248 1.959 2.890 . 0 0 "[ . 1 . 2]" 1
161 1 38 PHE HA 1 51 SER H . . 3.340 3.268 3.004 3.351 0.011 9 0 "[ . 1 . 2]" 1
162 1 50 ALA HA 1 51 SER H . . 3.280 2.385 2.315 2.495 . 0 0 "[ . 1 . 2]" 1
163 1 79 LEU HB2 1 80 GLU H . . 4.100 2.592 2.474 2.886 . 0 0 "[ . 1 . 2]" 1
164 1 79 LEU HB3 1 80 GLU H . . 4.300 3.023 2.815 3.461 . 0 0 "[ . 1 . 2]" 1
165 1 60 GLY HA2 1 61 SER H . . 3.380 2.215 2.199 2.240 . 0 0 "[ . 1 . 2]" 1
166 1 61 SER H 1 61 SER HB3 . . 3.500 3.269 2.755 3.968 0.468 18 0 "[ . 1 . 2]" 1
167 1 60 GLY HA3 1 61 SER H . . 3.500 3.220 3.132 3.351 . 0 0 "[ . 1 . 2]" 1
168 1 61 SER H 1 61 SER HB2 . . 3.940 3.731 3.030 3.948 0.008 2 0 "[ . 1 . 2]" 1
169 1 30 LEU HB2 1 32 VAL H . . 4.160 3.168 2.811 3.653 . 0 0 "[ . 1 . 2]" 1
170 1 27 GLN HA 1 32 VAL H . . 3.700 1.949 1.930 2.015 . 0 0 "[ . 1 . 2]" 1
171 1 32 VAL H 1 32 VAL HB . . 4.160 3.881 3.781 3.939 . 0 0 "[ . 1 . 2]" 1
172 1 32 VAL H 1 32 VAL QG . . 3.480 2.203 1.948 2.393 . 0 0 "[ . 1 . 2]" 1
173 1 65 SER H 1 66 SER H . . 4.130 2.481 2.378 2.599 . 0 0 "[ . 1 . 2]" 1
174 1 66 SER H 1 69 LEU HB3 . . 4.150 3.942 3.717 4.100 . 0 0 "[ . 1 . 2]" 1
175 1 45 SER H 1 45 SER HB2 . . 3.450 2.277 2.018 3.552 0.102 19 0 "[ . 1 . 2]" 1
176 1 44 PRO QG 1 45 SER H . . 3.990 2.986 2.410 3.468 . 0 0 "[ . 1 . 2]" 1
177 1 62 GLY HA2 1 63 THR H . . 3.370 2.576 2.491 2.662 . 0 0 "[ . 1 . 2]" 1
178 1 62 GLY HA3 1 63 THR H . . 3.620 2.665 2.579 2.756 . 0 0 "[ . 1 . 2]" 1
179 1 60 GLY H 1 78 THR HG1 . . 4.330 2.138 1.948 2.591 . 0 0 "[ . 1 . 2]" 1
180 1 52 VAL HB 1 60 GLY H . . 4.620 2.719 2.502 2.978 . 0 0 "[ . 1 . 2]" 1
181 1 51 SER HA 1 62 GLY H . . 4.570 3.357 3.139 3.512 . 0 0 "[ . 1 . 2]" 1
182 1 55 ASP H 1 56 GLY H . . 4.380 2.618 2.555 2.729 . 0 0 "[ . 1 . 2]" 1
183 1 55 ASP HA 1 56 GLY H . . 3.320 3.158 3.102 3.253 . 0 0 "[ . 1 . 2]" 1
184 1 53 THR HB 1 56 GLY H . . 3.730 2.807 2.712 2.929 . 0 0 "[ . 1 . 2]" 1
185 1 53 THR MG 1 56 GLY H . . 4.340 4.349 4.335 4.369 0.029 19 0 "[ . 1 . 2]" 1
186 1 30 LEU H 1 31 LYS HA . . 4.830 4.696 4.522 4.917 0.087 17 0 "[ . 1 . 2]" 1
187 1 29 VAL H 1 30 LEU HG . . 4.680 4.445 3.966 4.686 0.006 2 0 "[ . 1 . 2]" 1
188 1 22 LEU HA 1 26 MET H . . 4.890 3.999 3.829 4.096 . 0 0 "[ . 1 . 2]" 1
189 1 22 LEU HA 1 25 TYR H . . 4.580 4.095 3.896 4.228 . 0 0 "[ . 1 . 2]" 1
190 1 25 TYR H 1 25 TYR QD . . 4.790 4.049 4.024 4.084 . 0 0 "[ . 1 . 2]" 1
191 1 22 LEU H 1 22 LEU MD2 . . 4.350 4.065 3.951 4.113 . 0 0 "[ . 1 . 2]" 1
192 1 22 LEU H 1 79 LEU HG . . 4.320 3.999 3.795 4.257 . 0 0 "[ . 1 . 2]" 1
193 1 18 GLU HA 1 22 LEU H . . 4.620 3.346 3.154 3.539 . 0 0 "[ . 1 . 2]" 1
194 1 19 VAL MG1 1 20 CYS H . . 4.560 3.921 3.732 4.061 . 0 0 "[ . 1 . 2]" 1
195 1 20 CYS H 1 21 ILE HB . . 4.880 4.469 4.297 4.694 . 0 0 "[ . 1 . 2]" 1
196 1 48 PHE H 1 49 GLY H . . 4.940 4.368 3.869 4.547 . 0 0 "[ . 1 . 2]" 1
197 1 16 LYS QG 1 17 SER H . . 5.500 3.972 3.208 4.505 . 0 0 "[ . 1 . 2]" 1
198 1 16 LYS HB2 1 17 SER H . . 4.570 3.650 2.649 4.576 0.006 9 0 "[ . 1 . 2]" 1
199 1 17 SER H 1 20 CYS QB . . 3.810 2.020 1.933 2.245 . 0 0 "[ . 1 . 2]" 1
200 1 70 ALA H 1 71 LYS H . . 3.480 2.955 2.843 3.019 . 0 0 "[ . 1 . 2]" 1
201 1 9 PHE HB3 1 10 VAL H . . 4.590 3.581 2.367 4.464 . 0 0 "[ . 1 . 2]" 1
202 1 9 PHE HB2 1 10 VAL H . . 4.510 4.028 2.764 4.530 0.020 7 0 "[ . 1 . 2]" 1
203 1 9 PHE H 1 10 VAL H . . 5.050 4.295 3.060 4.675 . 0 0 "[ . 1 . 2]" 1
204 1 30 LEU HB3 1 31 LYS H . . 4.440 3.669 3.457 4.234 . 0 0 "[ . 1 . 2]" 1
205 1 31 LYS HB2 1 32 VAL H . . 4.550 4.579 4.382 4.707 0.157 17 0 "[ . 1 . 2]" 1
206 1 26 MET HB3 1 32 VAL H . . 5.320 3.686 3.498 3.892 . 0 0 "[ . 1 . 2]" 1
207 1 32 VAL H 1 33 ARG H . . 4.230 4.346 4.290 4.420 0.190 13 0 "[ . 1 . 2]" 1
208 1 36 TYR H 1 36 TYR QE . . 4.910 4.692 4.467 4.861 . 0 0 "[ . 1 . 2]" 1
209 1 35 VAL H 1 36 TYR H . . 5.180 4.492 4.386 4.569 . 0 0 "[ . 1 . 2]" 1
210 1 54 ILE H 1 54 ILE HG12 . . 4.660 3.969 3.881 4.051 . 0 0 "[ . 1 . 2]" 1
211 1 54 ILE H 1 54 ILE HG13 . . 4.510 2.809 2.684 2.932 . 0 0 "[ . 1 . 2]" 1
212 1 36 TYR HB3 1 37 ASN H . . 4.360 3.832 3.566 3.956 . 0 0 "[ . 1 . 2]" 1
213 1 37 ASN H 1 51 SER H . . 3.620 3.201 2.965 3.595 . 0 0 "[ . 1 . 2]" 1
214 1 38 PHE H 1 39 PHE H . . 5.500 4.478 4.354 4.563 . 0 0 "[ . 1 . 2]" 1
215 1 39 PHE H 1 50 ALA MB . . 5.220 4.265 4.047 4.420 . 0 0 "[ . 1 . 2]" 1
216 1 39 PHE H 1 49 GLY HA3 . . 4.890 4.105 3.682 4.700 . 0 0 "[ . 1 . 2]" 1
217 1 39 PHE H 1 40 GLU HA . . 4.690 4.641 4.529 4.702 0.012 18 0 "[ . 1 . 2]" 1
218 1 39 PHE H 1 39 PHE QE . . 5.120 4.256 3.930 4.408 . 0 0 "[ . 1 . 2]" 1
219 1 39 PHE H 1 40 GLU H . . 4.410 4.390 4.370 4.407 . 0 0 "[ . 1 . 2]" 1
220 1 39 PHE H 1 51 SER H . . 5.440 5.061 4.696 5.297 . 0 0 "[ . 1 . 2]" 1
221 1 40 GLU HG2 1 41 CYS H . . 4.720 4.318 3.250 5.330 0.610 2 2 "[ + - 1 . 2]" 1
222 1 40 GLU H 1 41 CYS H . . 4.910 4.582 4.490 4.628 . 0 0 "[ . 1 . 2]" 1
223 1 42 GLU HB2 1 43 ASN H . . 4.820 3.827 2.783 4.673 . 0 0 "[ . 1 . 2]" 1
224 1 42 GLU QG 1 43 ASN H . . 4.760 4.242 1.970 4.728 . 0 0 "[ . 1 . 2]" 1
225 1 43 ASN H 1 44 PRO HD3 . . 5.270 4.652 4.487 4.728 . 0 0 "[ . 1 . 2]" 1
226 1 43 ASN H 1 46 GLU H . . 5.500 5.000 4.790 5.238 . 0 0 "[ . 1 . 2]" 1
227 1 45 SER H 1 47 PRO HD3 . . 5.500 4.871 4.788 4.932 . 0 0 "[ . 1 . 2]" 1
228 1 43 ASN HB3 1 46 GLU H . . 4.800 2.848 2.162 3.363 . 0 0 "[ . 1 . 2]" 1
229 1 49 GLY H 1 63 THR MG . . 4.830 3.842 3.543 4.167 . 0 0 "[ . 1 . 2]" 1
230 1 48 PHE HB3 1 49 GLY H . . 4.620 3.756 2.326 4.307 . 0 0 "[ . 1 . 2]" 1
231 1 48 PHE QD 1 49 GLY H . . 4.760 4.697 3.965 4.878 0.118 20 0 "[ . 1 . 2]" 1
232 1 50 ALA H 1 62 GLY HA3 . . 5.010 4.862 4.726 4.991 . 0 0 "[ . 1 . 2]" 1
233 1 50 ALA H 1 70 ALA HA . . 5.500 4.144 3.899 4.425 . 0 0 "[ . 1 . 2]" 1
234 1 49 GLY H 1 50 ALA H . . 4.860 4.446 4.190 4.576 . 0 0 "[ . 1 . 2]" 1
235 1 50 ALA H 1 62 GLY H . . 3.770 3.116 2.984 3.355 . 0 0 "[ . 1 . 2]" 1
236 1 51 SER H 1 74 ALA MB . . 5.280 3.448 3.223 3.652 . 0 0 "[ . 1 . 2]" 1
237 1 36 TYR HA 1 51 SER H . . 4.790 4.420 4.228 4.679 . 0 0 "[ . 1 . 2]" 1
238 1 39 PHE QE 1 51 SER H . . 4.920 3.600 2.837 4.194 . 0 0 "[ . 1 . 2]" 1
239 1 52 VAL H 1 58 THR MG . . 4.740 3.610 3.323 4.056 . 0 0 "[ . 1 . 2]" 1
240 1 51 SER H 1 52 VAL H . . 4.910 4.433 4.380 4.465 . 0 0 "[ . 1 . 2]" 1
241 1 36 TYR HA 1 53 THR H . . 4.890 3.114 2.783 3.483 . 0 0 "[ . 1 . 2]" 1
242 1 54 ILE H 1 56 GLY H . . 5.020 3.495 3.350 3.651 . 0 0 "[ . 1 . 2]" 1
243 1 53 THR HA 1 57 VAL H . . 5.120 4.630 4.091 4.880 . 0 0 "[ . 1 . 2]" 1
244 1 57 VAL H 1 59 TYR QD . . 5.500 4.886 4.509 5.044 . 0 0 "[ . 1 . 2]" 1
245 1 57 VAL HB 1 58 THR H . . 5.430 4.419 4.276 4.478 . 0 0 "[ . 1 . 2]" 1
246 1 57 VAL H 1 58 THR H . . 5.500 4.519 4.412 4.593 . 0 0 "[ . 1 . 2]" 1
247 1 58 THR H 1 59 TYR H . . 5.500 4.618 4.510 4.657 . 0 0 "[ . 1 . 2]" 1
248 1 52 VAL MG1 1 59 TYR H . . 5.480 4.061 3.491 4.464 . 0 0 "[ . 1 . 2]" 1
249 1 53 THR MG 1 59 TYR H . . 4.300 3.717 3.526 4.014 . 0 0 "[ . 1 . 2]" 1
250 1 59 TYR H 1 60 GLY H . . 4.770 2.796 2.615 2.849 . 0 0 "[ . 1 . 2]" 1
251 1 54 ILE H 1 59 TYR H . . 5.110 4.259 3.957 4.675 . 0 0 "[ . 1 . 2]" 1
252 1 52 VAL MG1 1 60 GLY H . . 5.240 3.469 3.225 3.728 . 0 0 "[ . 1 . 2]" 1
253 1 60 GLY H 1 61 SER H . . 4.830 4.511 4.395 4.578 . 0 0 "[ . 1 . 2]" 1
254 1 52 VAL H 1 60 GLY H . . 5.410 3.475 2.985 3.866 . 0 0 "[ . 1 . 2]" 1
255 1 61 SER H 1 74 ALA MB . . 5.000 4.818 4.581 5.000 . 0 0 "[ . 1 . 2]" 1
256 1 61 SER H 1 62 GLY H . . 5.370 4.274 3.997 4.436 . 0 0 "[ . 1 . 2]" 1
257 1 50 ALA MB 1 62 GLY H . . 5.060 4.255 4.174 4.456 . 0 0 "[ . 1 . 2]" 1
258 1 39 PHE HZ 1 62 GLY H . . 5.480 3.972 3.219 4.505 . 0 0 "[ . 1 . 2]" 1
259 1 62 GLY H 1 63 THR H . . 4.880 4.373 4.363 4.399 . 0 0 "[ . 1 . 2]" 1
260 1 62 GLY H 1 74 ALA H . . 5.130 4.197 3.952 4.443 . 0 0 "[ . 1 . 2]" 1
261 1 63 THR H 1 73 LYS QB . . 4.430 3.976 3.765 4.159 . 0 0 "[ . 1 . 2]" 1
262 1 48 PHE HB3 1 64 ALA H . . 5.500 4.113 3.858 4.423 . 0 0 "[ . 1 . 2]" 1
263 1 63 THR H 1 64 ALA H . . 5.100 4.437 4.412 4.463 . 0 0 "[ . 1 . 2]" 1
264 1 65 SER H 1 69 LEU MD2 . . 5.400 5.177 5.012 5.368 . 0 0 "[ . 1 . 2]" 1
265 1 65 SER QB 1 66 SER H . . 4.750 2.939 2.650 3.483 . 0 0 "[ . 1 . 2]" 1
266 1 66 SER H 1 70 ALA H . . 4.900 4.170 3.952 4.370 . 0 0 "[ . 1 . 2]" 1
267 1 48 PHE QD 1 66 SER H . . 4.710 4.625 4.177 4.718 0.008 20 0 "[ . 1 . 2]" 1
268 1 69 LEU H 1 71 LYS H . . 4.490 4.505 4.487 4.521 0.031 18 0 "[ . 1 . 2]" 1
269 1 71 LYS H 1 71 LYS HG2 . . 4.520 4.426 4.347 4.494 . 0 0 "[ . 1 . 2]" 1
270 1 71 LYS H 1 72 ASN HB3 . . 5.500 5.378 4.726 6.252 0.752 3 7 "[ + *- * 1 ** *]" 1
271 1 70 ALA MB 1 72 ASN H . . 4.820 4.393 4.233 4.481 . 0 0 "[ . 1 . 2]" 1
272 1 68 LYS HA 1 72 ASN H . . 5.240 3.804 3.689 4.022 . 0 0 "[ . 1 . 2]" 1
273 1 72 ASN H 1 72 ASN HD21 . . 4.480 4.129 3.158 4.504 0.024 18 0 "[ . 1 . 2]" 1
274 1 72 ASN H 1 74 ALA H . . 5.400 4.173 3.908 4.385 . 0 0 "[ . 1 . 2]" 1
275 1 73 LYS H 1 75 ALA H . . 5.360 4.200 4.035 4.326 . 0 0 "[ . 1 . 2]" 1
276 1 89 GLN H 1 90 THR H . . 4.000 3.462 2.232 4.000 . 0 0 "[ . 1 . 2]" 1
277 1 74 ALA H 1 75 ALA H . . 3.570 2.876 2.807 2.907 . 0 0 "[ . 1 . 2]" 1
278 1 19 VAL MG1 1 75 ALA H . . 4.860 3.477 3.311 3.691 . 0 0 "[ . 1 . 2]" 1
279 1 75 ALA H 1 77 ALA H . . 4.870 3.953 3.693 4.131 . 0 0 "[ . 1 . 2]" 1
280 1 75 ALA H 1 76 ARG H . . 2.620 2.619 2.596 2.635 0.015 9 0 "[ . 1 . 2]" 1
281 1 73 LYS HA 1 77 ALA H . . 4.920 3.653 3.491 4.002 . 0 0 "[ . 1 . 2]" 1
282 1 77 ALA H 1 79 LEU H . . 4.090 3.980 3.858 4.077 . 0 0 "[ . 1 . 2]" 1
283 1 76 ARG HA 1 79 LEU H . . 4.500 3.663 3.557 3.776 . 0 0 "[ . 1 . 2]" 1
284 1 80 GLU H 1 82 LEU H . . 4.550 4.522 4.267 4.562 0.012 16 0 "[ . 1 . 2]" 1
285 1 81 ILE H 1 82 LEU HG . . 4.820 4.646 4.557 4.764 . 0 0 "[ . 1 . 2]" 1
286 1 83 ILE H 1 83 ILE HG13 . . 4.400 1.966 1.927 2.036 . 0 0 "[ . 1 . 2]" 1
287 1 79 LEU HA 1 83 ILE H . . 4.480 3.462 3.323 3.665 . 0 0 "[ . 1 . 2]" 1
288 1 81 ILE H 1 83 ILE H . . 5.100 4.610 3.839 4.927 . 0 0 "[ . 1 . 2]" 1
289 1 86 PHE H 1 86 PHE QD . . 4.590 4.082 3.801 4.185 . 0 0 "[ . 1 . 2]" 1
290 1 85 ASP H 1 86 PHE H . . 3.730 3.341 2.604 3.593 . 0 0 "[ . 1 . 2]" 1
291 1 86 PHE H 1 87 VAL H . . 3.840 2.596 2.076 3.993 0.153 14 0 "[ . 1 . 2]" 1
292 1 85 ASP QB 1 86 PHE H . . 4.510 3.565 1.904 4.085 . 0 0 "[ . 1 . 2]" 1
293 1 86 PHE QD 1 87 VAL H . . 4.560 3.684 3.069 4.568 0.008 4 0 "[ . 1 . 2]" 1
294 1 37 ASN H 1 37 ASN HD22 . . 4.900 4.762 4.330 5.310 0.410 4 0 "[ . 1 . 2]" 1
295 1 10 VAL HB 1 11 ILE H . . 4.830 4.409 3.378 4.687 . 0 0 "[ . 1 . 2]" 1
296 1 72 ASN HA 1 76 ARG H . . 5.350 3.730 3.590 3.927 . 0 0 "[ . 1 . 2]" 1
297 1 10 VAL H 1 11 ILE H . . 4.420 3.860 2.336 4.432 0.012 14 0 "[ . 1 . 2]" 1
298 1 16 LYS H 1 16 LYS HB2 . . 4.120 3.150 2.160 3.740 . 0 0 "[ . 1 . 2]" 1
299 1 64 ALA H 1 66 SER H . . 5.500 4.724 4.496 5.015 . 0 0 "[ . 1 . 2]" 1
300 1 68 LYS HG3 1 69 LEU H . . 4.690 4.749 4.465 5.031 0.341 4 0 "[ . 1 . 2]" 1
301 1 60 GLY H 1 81 ILE MD . . 3.930 3.210 2.788 3.588 . 0 0 "[ . 1 . 2]" 1
302 1 59 TYR QD 1 81 ILE MD . . 3.390 2.159 1.969 2.971 . 0 0 "[ . 1 . 2]" 1
303 1 59 TYR HA 1 81 ILE MD . . 3.610 2.790 2.574 2.966 . 0 0 "[ . 1 . 2]" 1
304 1 60 GLY HA2 1 81 ILE MD . . 4.050 2.691 2.428 3.033 . 0 0 "[ . 1 . 2]" 1
305 1 78 THR HA 1 81 ILE MD . . 3.250 2.461 2.175 2.795 . 0 0 "[ . 1 . 2]" 1
306 1 60 GLY HA3 1 81 ILE MD . . 4.170 3.170 2.484 3.631 . 0 0 "[ . 1 . 2]" 1
307 1 59 TYR HB2 1 81 ILE MD . . 3.730 3.759 3.566 3.971 0.241 13 0 "[ . 1 . 2]" 1
308 1 59 TYR HB3 1 81 ILE MD . . 3.970 2.392 2.239 2.545 . 0 0 "[ . 1 . 2]" 1
309 1 81 ILE HB 1 81 ILE MD . . 2.790 2.398 2.337 2.429 . 0 0 "[ . 1 . 2]" 1
310 1 81 ILE MD 1 82 LEU MD1 . . 5.090 4.691 4.373 4.839 . 0 0 "[ . 1 . 2]" 1
311 1 83 ILE HA 1 83 ILE MD . . 4.260 3.764 3.683 3.904 . 0 0 "[ . 1 . 2]" 1
312 1 83 ILE H 1 83 ILE MD . . 4.500 3.650 3.592 3.711 . 0 0 "[ . 1 . 2]" 1
313 1 83 ILE MD 1 86 PHE HE1 . . 3.850 3.253 2.479 4.157 0.307 16 0 "[ . 1 . 2]" 1
314 1 83 ILE MD 1 86 PHE QD . . 3.770 2.303 1.970 3.212 . 0 0 "[ . 1 . 2]" 1
315 1 25 TYR QD 1 83 ILE MD . . 3.760 2.869 2.183 3.733 . 0 0 "[ . 1 . 2]" 1
316 1 25 TYR QE 1 83 ILE MD . . 3.730 2.865 2.140 3.636 . 0 0 "[ . 1 . 2]" 1
317 1 83 ILE HB 1 83 ILE MD . . 3.360 2.483 2.371 2.582 . 0 0 "[ . 1 . 2]" 1
318 1 82 LEU HB2 1 83 ILE MD . . 4.530 4.105 3.971 4.198 . 0 0 "[ . 1 . 2]" 1
319 1 83 ILE MD 1 83 ILE MG . . 2.990 1.897 1.827 2.004 . 0 0 "[ . 1 . 2]" 1
320 1 83 ILE MD 1 86 PHE HB3 . . 4.810 4.582 4.279 4.814 0.004 14 0 "[ . 1 . 2]" 1
321 1 62 GLY HA3 1 73 LYS QB . . 3.490 2.684 2.545 2.756 . 0 0 "[ . 1 . 2]" 1
322 1 62 GLY HA3 1 73 LYS QD . . 3.770 3.440 3.059 3.770 . 0 0 "[ . 1 . 2]" 1
323 1 21 ILE H 1 21 ILE MD . . 3.970 3.179 2.087 3.527 . 0 0 "[ . 1 . 2]" 1
324 1 18 GLU HA 1 21 ILE MD . . 3.340 2.437 1.990 3.031 . 0 0 "[ . 1 . 2]" 1
325 1 18 GLU HG3 1 21 ILE MD . . 4.290 4.032 3.700 4.301 0.011 18 0 "[ . 1 . 2]" 1
326 1 21 ILE MD 1 79 LEU MD1 . . 3.850 3.661 3.460 3.853 0.003 15 0 "[ . 1 . 2]" 1
327 1 56 GLY HA3 1 57 VAL MG2 . . 4.170 4.087 3.994 4.158 . 0 0 "[ . 1 . 2]" 1
328 1 53 THR MG 1 56 GLY HA2 . . 4.000 3.675 3.583 3.733 . 0 0 "[ . 1 . 2]" 1
329 1 60 GLY HA2 1 78 THR HG1 . . 4.570 3.706 3.417 3.874 . 0 0 "[ . 1 . 2]" 1
330 1 60 GLY HA3 1 78 THR H . . 3.900 2.192 2.065 2.489 . 0 0 "[ . 1 . 2]" 1
331 1 11 ILE HA 1 11 ILE MD . . 4.090 3.639 1.949 4.094 0.004 5 0 "[ . 1 . 2]" 1
332 1 54 ILE MD 1 59 TYR QD . . 3.940 2.806 2.573 3.107 . 0 0 "[ . 1 . 2]" 1
333 1 54 ILE MD 1 59 TYR QE . . 4.010 2.788 2.559 3.019 . 0 0 "[ . 1 . 2]" 1
334 1 54 ILE HA 1 54 ILE MD . . 4.410 3.793 3.742 3.831 . 0 0 "[ . 1 . 2]" 1
335 1 54 ILE MD 1 59 TYR HB3 . . 4.590 3.561 3.253 3.946 . 0 0 "[ . 1 . 2]" 1
336 1 54 ILE HB 1 54 ILE MD . . 3.010 2.291 2.198 2.390 . 0 0 "[ . 1 . 2]" 1
337 1 30 LEU MD1 1 54 ILE MD . . 3.280 2.437 2.043 2.777 . 0 0 "[ . 1 . 2]" 1
338 1 54 ILE MD 1 82 LEU MD2 . . 3.240 3.109 2.907 3.238 . 0 0 "[ . 1 . 2]" 1
339 1 54 ILE MD 1 54 ILE MG . . 2.790 2.000 1.882 2.204 . 0 0 "[ . 1 . 2]" 1
340 1 79 LEU HA 1 82 LEU HB2 . . 4.200 3.254 3.077 3.469 . 0 0 "[ . 1 . 2]" 1
341 1 82 LEU HB2 1 83 ILE HG12 . . 3.910 3.144 3.002 3.426 . 0 0 "[ . 1 . 2]" 1
342 1 82 LEU HB3 1 83 ILE H . . 4.380 3.464 3.294 3.884 . 0 0 "[ . 1 . 2]" 1
343 1 82 LEU H 1 82 LEU HB3 . . 3.830 3.555 3.533 3.580 . 0 0 "[ . 1 . 2]" 1
344 1 82 LEU HB3 1 83 ILE HG12 . . 3.960 3.739 3.462 3.968 0.008 15 0 "[ . 1 . 2]" 1
345 1 82 LEU HB3 1 82 LEU MD1 . . 3.460 2.810 2.740 2.966 . 0 0 "[ . 1 . 2]" 1
346 1 33 ARG QD 1 34 PRO QD . . 4.670 4.052 3.326 4.680 0.010 10 0 "[ . 1 . 2]" 1
347 1 33 ARG HB3 1 33 ARG QD . . 3.310 2.361 1.971 3.316 0.006 10 0 "[ . 1 . 2]" 1
348 1 30 LEU H 1 30 LEU HB2 . . 3.590 2.365 2.276 2.551 . 0 0 "[ . 1 . 2]" 1
349 1 26 MET HA 1 30 LEU HB2 . . 4.350 2.914 2.581 3.262 . 0 0 "[ . 1 . 2]" 1
350 1 30 LEU HB2 1 32 VAL QG . . 3.850 2.522 2.174 2.737 . 0 0 "[ . 1 . 2]" 1
351 1 30 LEU HB3 1 32 VAL H . . 3.880 3.758 3.541 3.898 0.018 13 0 "[ . 1 . 2]" 1
352 1 28 ARG QB 1 28 ARG HD2 . . 3.580 2.967 2.395 3.282 . 0 0 "[ . 1 . 2]" 1
353 1 76 ARG HB3 1 76 ARG HD2 . . 3.640 2.829 2.010 3.332 . 0 0 "[ . 1 . 2]" 1
354 1 76 ARG HB2 1 76 ARG HD2 . . 3.360 3.006 2.420 3.338 . 0 0 "[ . 1 . 2]" 1
355 1 76 ARG HB3 1 76 ARG HD3 . . 3.460 2.395 2.059 3.356 . 0 0 "[ . 1 . 2]" 1
356 1 39 PHE QE 1 49 GLY HA3 . . 4.130 3.063 2.393 3.774 . 0 0 "[ . 1 . 2]" 1
357 1 49 GLY HA3 1 70 ALA MB . . 3.900 3.891 3.799 3.914 0.014 19 0 "[ . 1 . 2]" 1
358 1 31 LYS QE 1 31 LYS QG . . 3.500 2.107 1.958 2.221 . 0 0 "[ . 1 . 2]" 1
359 1 73 LYS QB 1 73 LYS HE2 . . 3.870 3.755 3.360 3.911 0.041 5 0 "[ . 1 . 2]" 1
360 1 73 LYS HE2 1 73 LYS HG2 . . 3.860 2.901 2.338 3.493 . 0 0 "[ . 1 . 2]" 1
361 1 64 ALA MB 1 73 LYS HE2 . . 4.360 4.023 2.801 4.362 0.002 15 0 "[ . 1 . 2]" 1
362 1 73 LYS HE3 1 73 LYS HG2 . . 3.730 2.387 2.035 3.572 . 0 0 "[ . 1 . 2]" 1
363 1 73 LYS QB 1 73 LYS HE3 . . 3.920 3.788 3.225 3.926 0.006 7 0 "[ . 1 . 2]" 1
364 1 23 HIS HE1 1 33 ARG QD . . 4.690 2.878 1.943 4.165 . 0 0 "[ . 1 . 2]" 1
365 1 23 HIS HE1 1 33 ARG QG . . 4.590 2.855 1.956 4.049 . 0 0 "[ . 1 . 2]" 1
366 1 69 LEU HB2 1 70 ALA H . . 4.170 2.523 2.438 2.675 . 0 0 "[ . 1 . 2]" 1
367 1 69 LEU HB2 1 69 LEU HG . . 2.690 2.271 2.266 2.275 . 0 0 "[ . 1 . 2]" 1
368 1 69 LEU HB3 1 70 ALA H . . 4.230 3.269 3.150 3.445 . 0 0 "[ . 1 . 2]" 1
369 1 69 LEU HB3 1 69 LEU MD1 . . 3.260 2.061 2.008 2.186 . 0 0 "[ . 1 . 2]" 1
370 1 38 PHE H 1 38 PHE HB2 . . 4.020 2.528 2.382 2.629 . 0 0 "[ . 1 . 2]" 1
371 1 38 PHE HB2 1 39 PHE H . . 3.940 3.950 3.645 4.141 0.201 18 0 "[ . 1 . 2]" 1
372 1 38 PHE HB3 1 39 PHE H . . 4.220 2.995 2.644 3.232 . 0 0 "[ . 1 . 2]" 1
373 1 38 PHE H 1 38 PHE HB3 . . 3.710 3.668 3.584 3.744 0.034 18 0 "[ . 1 . 2]" 1
374 1 37 ASN QB 1 52 VAL HA . . 4.540 4.458 4.281 4.546 0.006 13 0 "[ . 1 . 2]" 1
375 1 37 ASN QB 1 37 ASN HD22 . . 3.810 3.358 3.248 3.503 . 0 0 "[ . 1 . 2]" 1
376 1 37 ASN QB 1 51 SER QB . . 4.310 3.166 2.354 3.616 . 0 0 "[ . 1 . 2]" 1
377 1 37 ASN QB 1 51 SER H . . 4.080 3.418 3.136 3.737 . 0 0 "[ . 1 . 2]" 1
378 1 37 ASN H 1 37 ASN QB . . 3.270 2.115 2.100 2.207 . 0 0 "[ . 1 . 2]" 1
379 1 67 LYS HE2 1 67 LYS QG . . 3.530 2.581 1.976 3.291 . 0 0 "[ . 1 . 2]" 1
380 1 67 LYS HE3 1 67 LYS QG . . 3.460 2.581 1.974 3.301 . 0 0 "[ . 1 . 2]" 1
381 1 79 LEU HB2 1 79 LEU MD1 . . 2.880 2.409 2.294 2.496 . 0 0 "[ . 1 . 2]" 1
382 1 79 LEU HB3 1 79 LEU MD2 . . 2.990 2.426 2.334 2.477 . 0 0 "[ . 1 . 2]" 1
383 1 39 PHE HB3 1 40 GLU H . . 3.640 3.612 3.454 3.670 0.030 19 0 "[ . 1 . 2]" 1
384 1 22 LEU HB3 1 23 HIS H . . 4.390 2.684 2.445 2.873 . 0 0 "[ . 1 . 2]" 1
385 1 22 LEU H 1 22 LEU HB2 . . 3.970 2.545 2.435 2.640 . 0 0 "[ . 1 . 2]" 1
386 1 19 VAL MG1 1 71 LYS HE2 . . 3.210 1.974 1.921 2.085 . 0 0 "[ . 1 . 2]" 1
387 1 71 LYS HE2 1 71 LYS HG2 . . 3.230 2.369 2.086 2.843 . 0 0 "[ . 1 . 2]" 1
388 1 71 LYS HE3 1 71 LYS HG3 . . 3.850 3.507 3.302 3.715 . 0 0 "[ . 1 . 2]" 1
389 1 19 VAL MG1 1 71 LYS HE3 . . 3.670 3.188 1.982 3.599 . 0 0 "[ . 1 . 2]" 1
390 1 71 LYS HE3 1 71 LYS HG2 . . 3.590 2.627 2.165 2.978 . 0 0 "[ . 1 . 2]" 1
391 1 48 PHE HB3 1 70 ALA MB . . 3.930 2.995 2.551 3.254 . 0 0 "[ . 1 . 2]" 1
392 1 48 PHE HB2 1 70 ALA MB . . 3.870 3.321 2.858 3.697 . 0 0 "[ . 1 . 2]" 1
393 1 54 ILE MG 1 55 ASP HB3 . . 4.170 3.189 2.616 3.418 . 0 0 "[ . 1 . 2]" 1
394 1 36 TYR H 1 36 TYR HB2 . . 3.670 2.135 2.054 2.254 . 0 0 "[ . 1 . 2]" 1
395 1 32 VAL QG 1 55 ASP HB2 . . 3.690 3.504 3.326 4.467 0.777 19 1 "[ . 1 . +2]" 1
396 1 54 ILE MG 1 55 ASP HB2 . . 3.740 3.001 2.667 4.184 0.444 19 0 "[ . 1 . 2]" 1
397 1 36 TYR H 1 36 TYR HB3 . . 4.150 3.432 3.383 3.495 . 0 0 "[ . 1 . 2]" 1
398 1 85 ASP H 1 85 ASP QB . . 3.760 2.453 2.188 2.964 . 0 0 "[ . 1 . 2]" 1
399 1 86 PHE HB2 1 87 VAL H . . 4.780 3.756 3.359 4.515 . 0 0 "[ . 1 . 2]" 1
400 1 80 GLU HA 1 86 PHE HB3 . . 4.360 3.912 2.930 4.448 0.088 12 0 "[ . 1 . 2]" 1
401 1 83 ILE HB 1 86 PHE HB3 . . 4.290 3.732 3.520 4.212 . 0 0 "[ . 1 . 2]" 1
402 1 80 GLU HA 1 86 PHE HB2 . . 4.600 3.576 2.891 3.938 . 0 0 "[ . 1 . 2]" 1
403 1 83 ILE HB 1 86 PHE HB2 . . 3.630 2.065 1.988 2.472 . 0 0 "[ . 1 . 2]" 1
404 1 9 PHE H 1 9 PHE HB3 . . 4.050 3.345 2.370 4.026 . 0 0 "[ . 1 . 2]" 1
405 1 86 PHE HB3 1 87 VAL H . . 3.880 2.463 1.934 4.037 0.157 14 0 "[ . 1 . 2]" 1
406 1 81 ILE HB 1 82 LEU H . . 3.610 2.563 2.399 2.715 . 0 0 "[ . 1 . 2]" 1
407 1 81 ILE H 1 81 ILE HB . . 3.200 2.324 2.290 2.360 . 0 0 "[ . 1 . 2]" 1
408 1 78 THR HA 1 81 ILE HB . . 3.570 2.594 2.377 2.750 . 0 0 "[ . 1 . 2]" 1
409 1 46 GLU HB3 1 63 THR HB . . 3.900 2.720 2.174 2.929 . 0 0 "[ . 1 . 2]" 1
410 1 53 THR HB 1 54 ILE H . . 3.600 3.586 3.496 3.616 0.016 9 0 "[ . 1 . 2]" 1
411 1 35 VAL HB 1 53 THR HB . . 3.960 3.669 3.196 3.964 0.004 4 0 "[ . 1 . 2]" 1
412 1 53 THR H 1 53 THR HB . . 3.770 3.499 3.473 3.542 . 0 0 "[ . 1 . 2]" 1
413 1 53 THR HB 1 58 THR HA . . 4.250 4.058 3.834 4.242 . 0 0 "[ . 1 . 2]" 1
414 1 43 ASN HB2 1 43 ASN HD22 . . 4.030 3.720 3.445 4.100 0.070 16 0 "[ . 1 . 2]" 1
415 1 59 TYR HB2 1 60 GLY H . . 3.540 2.131 2.001 2.214 . 0 0 "[ . 1 . 2]" 1
416 1 43 ASN HB3 1 43 ASN HD22 . . 4.080 3.718 3.447 4.152 0.072 15 0 "[ . 1 . 2]" 1
417 1 59 TYR HB3 1 60 GLY H . . 3.560 2.128 2.046 2.305 . 0 0 "[ . 1 . 2]" 1
418 1 54 ILE H 1 54 ILE HB . . 4.110 2.327 2.270 2.393 . 0 0 "[ . 1 . 2]" 1
419 1 25 TYR HB2 1 26 MET H . . 4.460 3.934 3.857 4.013 . 0 0 "[ . 1 . 2]" 1
420 1 72 ASN H 1 72 ASN HB2 . . 3.750 2.481 2.041 2.649 . 0 0 "[ . 1 . 2]" 1
421 1 72 ASN HB2 1 73 LYS H . . 4.060 3.330 2.362 4.044 . 0 0 "[ . 1 . 2]" 1
422 1 69 LEU HA 1 72 ASN HB2 . . 4.020 2.811 2.026 3.439 . 0 0 "[ . 1 . 2]" 1
423 1 19 VAL MG1 1 72 ASN HB2 . . 4.600 4.015 2.934 5.000 0.400 15 0 "[ . 1 . 2]" 1
424 1 22 LEU HA 1 25 TYR HB3 . . 4.010 3.030 2.870 3.138 . 0 0 "[ . 1 . 2]" 1
425 1 25 TYR H 1 25 TYR HB3 . . 3.900 2.224 2.180 2.297 . 0 0 "[ . 1 . 2]" 1
426 1 22 LEU MD2 1 25 TYR HB3 . . 4.310 3.547 3.340 3.781 . 0 0 "[ . 1 . 2]" 1
427 1 72 ASN HB3 1 73 LYS H . . 3.850 2.852 2.180 3.732 . 0 0 "[ . 1 . 2]" 1
428 1 72 ASN H 1 72 ASN HB3 . . 3.240 2.856 2.321 3.552 0.312 8 0 "[ . 1 . 2]" 1
429 1 69 LEU MD2 1 72 ASN HB3 . . 4.060 4.180 3.654 4.794 0.734 6 7 "[ * *+ * 1 ** -]" 1
430 1 83 ILE HB 1 86 PHE QD . . 4.150 3.437 2.924 3.714 . 0 0 "[ . 1 . 2]" 1
431 1 83 ILE H 1 83 ILE HB . . 3.740 2.699 2.627 2.803 . 0 0 "[ . 1 . 2]" 1
432 1 18 GLU HG2 1 76 ARG HB2 . . 3.940 2.608 2.345 4.326 0.386 18 0 "[ . 1 . 2]" 1
433 1 18 GLU HG3 1 76 ARG HB2 . . 4.110 4.088 3.807 5.098 0.988 18 1 "[ . 1 . + 2]" 1
434 1 21 ILE HB 1 79 LEU MD1 . . 3.960 3.155 2.760 3.442 . 0 0 "[ . 1 . 2]" 1
435 1 21 ILE HB 1 22 LEU H . . 3.710 2.421 2.296 2.671 . 0 0 "[ . 1 . 2]" 1
436 1 21 ILE HB 1 21 ILE MD . . 3.040 2.159 1.946 2.280 . 0 0 "[ . 1 . 2]" 1
437 1 90 THR HA 1 90 THR HB . . 2.980 2.706 2.422 3.064 0.084 16 0 "[ . 1 . 2]" 1
438 1 80 GLU H 1 80 GLU HG3 . . 3.580 2.703 2.179 3.134 . 0 0 "[ . 1 . 2]" 1
439 1 77 ALA HA 1 80 GLU HG3 . . 4.390 3.109 2.973 3.178 . 0 0 "[ . 1 . 2]" 1
440 1 80 GLU HA 1 80 GLU HG3 . . 3.930 3.496 3.195 3.687 . 0 0 "[ . 1 . 2]" 1
441 1 80 GLU H 1 80 GLU HG2 . . 4.060 2.605 2.119 2.994 . 0 0 "[ . 1 . 2]" 1
442 1 39 PHE H 1 39 PHE QD . . 4.200 3.069 2.555 3.267 . 0 0 "[ . 1 . 2]" 1
443 1 39 PHE QD 1 40 GLU H . . 3.990 3.427 3.063 3.718 . 0 0 "[ . 1 . 2]" 1
444 1 39 PHE HA 1 39 PHE QD . . 4.430 3.733 3.695 3.749 . 0 0 "[ . 1 . 2]" 1
445 1 39 PHE QD 1 40 GLU HA . . 4.230 4.016 3.439 4.232 0.002 15 0 "[ . 1 . 2]" 1
446 1 58 THR H 1 58 THR HB . . 3.250 2.582 2.469 2.685 . 0 0 "[ . 1 . 2]" 1
447 1 36 TYR QD 1 71 LYS QD . . 4.140 3.074 2.523 3.667 . 0 0 "[ . 1 . 2]" 1
448 1 36 TYR H 1 36 TYR QD . . 3.660 2.352 2.086 2.940 . 0 0 "[ . 1 . 2]" 1
449 1 36 TYR QD 1 71 LYS HG2 . . 4.120 2.092 1.995 2.943 . 0 0 "[ . 1 . 2]" 1
450 1 36 TYR HA 1 36 TYR QD . . 4.020 3.053 2.388 3.190 . 0 0 "[ . 1 . 2]" 1
451 1 24 GLU H 1 24 GLU HG2 . . 3.880 3.644 3.280 4.127 0.247 11 0 "[ . 1 . 2]" 1
452 1 24 GLU HA 1 24 GLU HG2 . . 4.100 2.079 1.975 3.410 . 0 0 "[ . 1 . 2]" 1
453 1 24 GLU HB2 1 24 GLU HG2 . . 2.970 2.839 2.704 2.980 0.010 2 0 "[ . 1 . 2]" 1
454 1 40 GLU HB2 1 40 GLU HG2 . . 2.850 2.978 2.527 3.056 0.206 13 0 "[ . 1 . 2]" 1
455 1 40 GLU HA 1 40 GLU HG2 . . 3.880 3.179 1.985 3.835 . 0 0 "[ . 1 . 2]" 1
456 1 40 GLU H 1 40 GLU HG3 . . 4.250 3.410 2.519 4.305 0.055 12 0 "[ . 1 . 2]" 1
457 1 40 GLU HA 1 40 GLU HG3 . . 3.850 3.387 2.313 3.737 . 0 0 "[ . 1 . 2]" 1
458 1 38 PHE H 1 38 PHE QD . . 3.960 2.624 2.156 3.201 . 0 0 "[ . 1 . 2]" 1
459 1 38 PHE QD 1 39 PHE H . . 4.530 4.169 3.854 4.326 . 0 0 "[ . 1 . 2]" 1
460 1 38 PHE HA 1 38 PHE QD . . 3.600 2.946 2.370 3.207 . 0 0 "[ . 1 . 2]" 1
461 1 38 PHE QD 1 50 ALA HA . . 3.940 3.240 2.525 3.670 . 0 0 "[ . 1 . 2]" 1
462 1 38 PHE QD 1 50 ALA MB . . 3.660 2.058 1.838 2.224 . 0 0 "[ . 1 . 2]" 1
463 1 38 PHE QD 1 67 LYS QG . . 4.310 3.560 3.090 4.286 . 0 0 "[ . 1 . 2]" 1
464 1 59 TYR H 1 59 TYR QD . . 4.160 3.176 2.934 3.526 . 0 0 "[ . 1 . 2]" 1
465 1 24 GLU H 1 24 GLU HG3 . . 4.160 3.669 3.414 3.928 . 0 0 "[ . 1 . 2]" 1
466 1 59 TYR HA 1 59 TYR QD . . 3.730 3.087 2.866 3.151 . 0 0 "[ . 1 . 2]" 1
467 1 54 ILE HB 1 59 TYR QD . . 4.120 2.527 2.110 2.926 . 0 0 "[ . 1 . 2]" 1
468 1 54 ILE H 1 59 TYR QD . . 4.080 2.463 2.301 2.996 . 0 0 "[ . 1 . 2]" 1
469 1 59 TYR QD 1 60 GLY H . . 4.420 4.045 4.025 4.130 . 0 0 "[ . 1 . 2]" 1
470 1 53 THR HA 1 59 TYR QD . . 4.210 3.471 3.227 3.906 . 0 0 "[ . 1 . 2]" 1
471 1 59 TYR QD 1 81 ILE HB . . 4.360 3.071 2.494 3.385 . 0 0 "[ . 1 . 2]" 1
472 1 57 VAL MG1 1 59 TYR QD . . 3.740 2.796 2.241 3.034 . 0 0 "[ . 1 . 2]" 1
473 1 25 TYR QD 1 26 MET H . . 4.510 2.594 2.476 2.713 . 0 0 "[ . 1 . 2]" 1
474 1 22 LEU MD2 1 25 TYR QD . . 3.620 3.391 3.213 3.615 . 0 0 "[ . 1 . 2]" 1
475 1 46 GLU HA 1 46 GLU QG . . 3.550 2.367 2.260 2.446 . 0 0 "[ . 1 . 2]" 1
476 1 78 THR HA 1 78 THR HB . . 3.040 3.059 3.049 3.065 0.025 9 0 "[ . 1 . 2]" 1
477 1 48 PHE QD 1 66 SER HA . . 3.910 3.750 3.133 3.915 0.005 5 0 "[ . 1 . 2]" 1
478 1 60 GLY H 1 78 THR HA . . 4.060 3.189 2.868 3.537 . 0 0 "[ . 1 . 2]" 1
479 1 59 TYR HB2 1 78 THR HA . . 4.430 3.977 3.743 4.186 . 0 0 "[ . 1 . 2]" 1
480 1 48 PHE H 1 48 PHE QE . . 4.270 4.146 3.908 4.330 0.060 20 0 "[ . 1 . 2]" 1
481 1 48 PHE QD 1 65 SER HA . . 4.040 3.190 2.521 4.042 0.002 20 0 "[ . 1 . 2]" 1
482 1 32 VAL HB 1 33 ARG H . . 3.380 2.838 2.324 2.948 . 0 0 "[ . 1 . 2]" 1
483 1 26 MET ME 1 32 VAL HB . . 4.170 3.851 3.605 3.991 . 0 0 "[ . 1 . 2]" 1
484 1 38 PHE QE 1 71 LYS HB2 . . 4.030 3.322 3.042 3.474 . 0 0 "[ . 1 . 2]" 1
485 1 38 PHE QE 1 71 LYS QD . . 4.030 2.514 2.029 3.235 . 0 0 "[ . 1 . 2]" 1
486 1 38 PHE QE 1 71 LYS HG3 . . 3.720 2.210 1.999 2.456 . 0 0 "[ . 1 . 2]" 1
487 1 38 PHE QE 1 71 LYS HG2 . . 3.930 3.839 3.603 3.939 0.009 9 0 "[ . 1 . 2]" 1
488 1 61 SER HB2 1 62 GLY H . . 3.640 3.335 2.615 4.048 0.408 18 0 "[ . 1 . 2]" 1
489 1 51 SER HA 1 61 SER HB2 . . 4.000 3.187 2.096 4.555 0.555 18 2 "[ . 1 . + -]" 1
490 1 51 SER QB 1 61 SER HB2 . . 2.540 2.294 1.892 3.472 0.932 20 4 "[ . - *1 . * +]" 1
491 1 51 SER H 1 51 SER QB . . 3.530 2.976 2.539 3.221 . 0 0 "[ . 1 . 2]" 1
492 1 39 PHE QE 1 51 SER QB . . 3.710 2.217 1.989 2.540 . 0 0 "[ . 1 . 2]" 1
493 1 51 SER QB 1 58 THR MG . . 3.450 2.618 2.307 3.104 . 0 0 "[ . 1 . 2]" 1
494 1 51 SER QB 1 74 ALA MB . . 4.430 3.810 3.646 3.972 . 0 0 "[ . 1 . 2]" 1
495 1 51 SER QB 1 61 SER HA . . 4.350 3.025 2.493 3.601 . 0 0 "[ . 1 . 2]" 1
496 1 19 VAL HA 1 22 LEU HB3 . . 4.090 2.932 2.751 3.165 . 0 0 "[ . 1 . 2]" 1
497 1 19 VAL HA 1 19 VAL MG1 . . 3.280 2.275 2.215 2.386 . 0 0 "[ . 1 . 2]" 1
498 1 19 VAL HA 1 19 VAL MG2 . . 3.270 3.218 3.207 3.221 . 0 0 "[ . 1 . 2]" 1
499 1 27 GLN HA 1 27 GLN QG . . 3.570 2.808 2.717 3.226 . 0 0 "[ . 1 . 2]" 1
500 1 27 GLN HB3 1 27 GLN QG . . 2.740 2.352 2.207 2.387 . 0 0 "[ . 1 . 2]" 1
501 1 39 PHE HZ 1 63 THR MG . . 4.470 3.596 2.511 4.346 . 0 0 "[ . 1 . 2]" 1
502 1 57 VAL HB 1 59 TYR QD . . 4.400 3.844 3.517 3.993 . 0 0 "[ . 1 . 2]" 1
503 1 57 VAL H 1 57 VAL HB . . 3.300 2.244 2.179 2.317 . 0 0 "[ . 1 . 2]" 1
504 1 35 VAL H 1 35 VAL HB . . 3.150 2.243 2.146 2.456 . 0 0 "[ . 1 . 2]" 1
505 1 35 VAL HB 1 53 THR H . . 4.610 4.077 3.819 4.295 . 0 0 "[ . 1 . 2]" 1
506 1 26 MET H 1 26 MET HG3 . . 3.720 3.020 2.843 3.269 . 0 0 "[ . 1 . 2]" 1
507 1 25 TYR QD 1 26 MET HG3 . . 4.160 3.131 2.940 3.368 . 0 0 "[ . 1 . 2]" 1
508 1 26 MET HA 1 26 MET HG3 . . 3.700 3.144 3.121 3.203 . 0 0 "[ . 1 . 2]" 1
509 1 22 LEU MD2 1 26 MET HG3 . . 3.500 1.917 1.802 2.120 . 0 0 "[ . 1 . 2]" 1
510 1 26 MET ME 1 26 MET HG3 . . 3.920 3.356 3.354 3.358 . 0 0 "[ . 1 . 2]" 1
511 1 26 MET ME 1 26 MET HG2 . . 3.610 2.478 2.468 2.491 . 0 0 "[ . 1 . 2]" 1
512 1 26 MET HG2 1 30 LEU MD1 . . 3.490 1.984 1.956 2.139 . 0 0 "[ . 1 . 2]" 1
513 1 26 MET HG2 1 82 LEU MD1 . . 4.350 3.043 2.565 3.536 . 0 0 "[ . 1 . 2]" 1
514 1 25 TYR QD 1 26 MET HG2 . . 4.240 2.847 2.773 2.946 . 0 0 "[ . 1 . 2]" 1
515 1 73 LYS QB 1 73 LYS QD . . 2.400 2.117 2.039 2.148 . 0 0 "[ . 1 . 2]" 1
516 1 52 VAL H 1 52 VAL HB . . 3.200 2.413 2.314 2.467 . 0 0 "[ . 1 . 2]" 1
517 1 52 VAL HB 1 78 THR HG1 . . 3.930 2.028 1.995 2.344 . 0 0 "[ . 1 . 2]" 1
518 1 52 VAL HB 1 59 TYR HB3 . . 4.250 4.371 4.099 4.593 0.343 3 0 "[ . 1 . 2]" 1
519 1 17 SER H 1 17 SER HB3 . . 4.140 3.355 2.717 3.692 . 0 0 "[ . 1 . 2]" 1
520 1 21 ILE HA 1 21 ILE HG13 . . 3.320 2.608 2.191 2.742 . 0 0 "[ . 1 . 2]" 1
521 1 21 ILE HA 1 24 GLU HB2 . . 3.900 2.384 2.214 2.636 . 0 0 "[ . 1 . 2]" 1
522 1 21 ILE HA 1 21 ILE HG12 . . 3.560 2.663 2.465 3.333 . 0 0 "[ . 1 . 2]" 1
523 1 10 VAL H 1 10 VAL HB . . 3.660 2.987 2.299 3.697 0.037 14 0 "[ . 1 . 2]" 1
524 1 87 VAL HA 1 88 LYS HB2 . . 4.250 4.260 3.965 4.654 0.404 2 0 "[ . 1 . 2]" 1
525 1 88 LYS H 1 88 LYS HB3 . . 3.690 3.145 2.685 3.650 . 0 0 "[ . 1 . 2]" 1
526 1 36 TYR HB3 1 38 PHE HZ . . 5.110 2.544 2.202 3.045 . 0 0 "[ . 1 . 2]" 1
527 1 38 PHE HZ 1 71 LYS HG2 . . 4.870 4.142 3.764 4.602 . 0 0 "[ . 1 . 2]" 1
528 1 38 PHE HZ 1 71 LYS QD . . 3.760 2.082 1.986 2.580 . 0 0 "[ . 1 . 2]" 1
529 1 71 LYS H 1 71 LYS HB2 . . 3.290 2.033 2.016 2.066 . 0 0 "[ . 1 . 2]" 1
530 1 71 LYS HB2 1 72 ASN H . . 3.610 3.463 3.356 3.611 0.001 18 0 "[ . 1 . 2]" 1
531 1 68 LYS HB2 1 69 LEU MD2 . . 3.310 3.123 2.637 3.620 0.310 17 0 "[ . 1 . 2]" 1
532 1 71 LYS HB2 1 71 LYS HE2 . . 4.010 3.938 3.430 4.056 0.046 18 0 "[ . 1 . 2]" 1
533 1 68 LYS HA 1 71 LYS HB3 . . 4.020 3.220 2.950 3.330 . 0 0 "[ . 1 . 2]" 1
534 1 68 LYS H 1 68 LYS HB2 . . 3.420 2.159 2.005 2.420 . 0 0 "[ . 1 . 2]" 1
535 1 68 LYS HB3 1 68 LYS HG2 . . 2.900 2.505 2.278 2.866 . 0 0 "[ . 1 . 2]" 1
536 1 34 PRO HB2 1 35 VAL H . . 4.220 3.435 2.901 3.727 . 0 0 "[ . 1 . 2]" 1
537 1 22 LEU MD1 1 34 PRO HB2 . . 4.340 2.981 2.596 3.303 . 0 0 "[ . 1 . 2]" 1
538 1 44 PRO HA 1 47 PRO HB3 . . 4.020 3.765 3.622 4.016 . 0 0 "[ . 1 . 2]" 1
539 1 67 LYS HB2 1 67 LYS HD2 . . 2.850 2.663 2.341 3.076 0.226 17 0 "[ . 1 . 2]" 1
540 1 67 LYS HB2 1 67 LYS HD3 . . 3.720 3.059 2.443 3.653 . 0 0 "[ . 1 . 2]" 1
541 1 67 LYS HB3 1 67 LYS HD2 . . 2.740 3.045 2.423 3.631 0.891 17 9 "[* .* * ** . +-**]" 1
542 1 81 ILE HA 1 81 ILE HG12 . . 3.190 2.399 2.353 2.458 . 0 0 "[ . 1 . 2]" 1
543 1 81 ILE HA 1 81 ILE MG . . 2.960 2.519 2.476 2.539 . 0 0 "[ . 1 . 2]" 1
544 1 81 ILE HA 1 81 ILE MD . . 3.750 3.761 3.740 3.787 0.037 20 0 "[ . 1 . 2]" 1
545 1 44 PRO HB3 1 45 SER H . . 4.500 4.304 3.974 4.530 0.030 1 0 "[ . 1 . 2]" 1
546 1 45 SER HB3 1 46 GLU H . . 4.680 2.767 2.154 3.803 . 0 0 "[ . 1 . 2]" 1
547 1 45 SER HB3 1 46 GLU QG . . 3.720 3.073 2.538 4.615 0.895 19 2 "[ . - 1 . +2]" 1
548 1 84 PRO HB2 1 85 ASP H . . 4.610 3.429 3.086 3.860 . 0 0 "[ . 1 . 2]" 1
549 1 84 PRO HB3 1 85 ASP H . . 4.480 4.291 4.099 4.527 0.047 16 0 "[ . 1 . 2]" 1
550 1 45 SER H 1 45 SER HB3 . . 4.030 3.241 2.109 3.548 . 0 0 "[ . 1 . 2]" 1
551 1 87 VAL HA 1 88 LYS H . . 3.250 2.451 2.184 2.728 . 0 0 "[ . 1 . 2]" 1
552 1 26 MET HB3 1 27 GLN H . . 4.300 2.800 2.725 2.903 . 0 0 "[ . 1 . 2]" 1
553 1 26 MET H 1 26 MET HB2 . . 3.670 2.079 2.020 2.136 . 0 0 "[ . 1 . 2]" 1
554 1 40 GLU HB3 1 41 CYS H . . 4.370 3.606 2.533 4.366 . 0 0 "[ . 1 . 2]" 1
555 1 23 HIS HA 1 26 MET HB2 . . 4.400 2.246 2.095 2.474 . 0 0 "[ . 1 . 2]" 1
556 1 28 ARG H 1 28 ARG QB . . 3.220 2.208 2.146 2.230 . 0 0 "[ . 1 . 2]" 1
557 1 33 ARG HB3 1 34 PRO QD . . 3.570 3.474 3.149 4.188 0.618 5 2 "[ + - 1 . 2]" 1
558 1 28 ARG QB 1 29 VAL H . . 3.460 2.609 2.522 2.744 . 0 0 "[ . 1 . 2]" 1
559 1 25 TYR HA 1 28 ARG QB . . 3.580 1.978 1.955 2.014 . 0 0 "[ . 1 . 2]" 1
560 1 33 ARG HB2 1 34 PRO QD . . 4.530 4.157 3.596 4.288 . 0 0 "[ . 1 . 2]" 1
561 1 20 CYS HA 1 23 HIS HB2 . . 3.730 3.274 2.919 3.534 . 0 0 "[ . 1 . 2]" 1
562 1 20 CYS HA 1 23 HIS HB3 . . 3.650 2.906 2.736 3.075 . 0 0 "[ . 1 . 2]" 1
563 1 34 PRO HA 1 35 VAL H . . 3.260 2.206 2.152 2.362 . 0 0 "[ . 1 . 2]" 1
564 1 34 PRO HA 1 54 ILE HG12 . . 4.050 3.582 3.045 3.895 . 0 0 "[ . 1 . 2]" 1
565 1 25 TYR HA 1 25 TYR QD . . 3.620 3.319 3.281 3.353 . 0 0 "[ . 1 . 2]" 1
566 1 18 GLU HA 1 21 ILE H . . 4.080 3.344 3.129 3.526 . 0 0 "[ . 1 . 2]" 1
567 1 18 GLU HA 1 18 GLU HG3 . . 3.320 2.468 2.205 2.630 . 0 0 "[ . 1 . 2]" 1
568 1 18 GLU HA 1 21 ILE HB . . 3.070 2.213 2.119 2.337 . 0 0 "[ . 1 . 2]" 1
569 1 18 GLU HA 1 79 LEU MD1 . . 4.130 3.321 2.970 3.579 . 0 0 "[ . 1 . 2]" 1
570 1 18 GLU HA 1 18 GLU HG2 . . 3.640 3.554 3.508 3.589 . 0 0 "[ . 1 . 2]" 1
571 1 10 VAL HA 1 11 ILE H . . 3.170 2.333 2.183 2.794 . 0 0 "[ . 1 . 2]" 1
572 1 10 VAL HA 1 10 VAL MG1 . . 3.170 2.725 2.388 3.219 0.049 11 0 "[ . 1 . 2]" 1
573 1 73 LYS H 1 73 LYS QD . . 4.110 3.551 3.103 3.878 . 0 0 "[ . 1 . 2]" 1
574 1 64 ALA MB 1 73 LYS QD . . 3.020 2.172 2.027 2.348 . 0 0 "[ . 1 . 2]" 1
575 1 63 THR H 1 73 LYS QD . . 3.960 3.240 2.933 3.603 . 0 0 "[ . 1 . 2]" 1
576 1 73 LYS HA 1 73 LYS QD . . 4.320 4.006 3.970 4.107 . 0 0 "[ . 1 . 2]" 1
577 1 35 VAL HA 1 36 TYR QD . . 4.420 3.161 2.864 4.296 . 0 0 "[ . 1 . 2]" 1
578 1 35 VAL HA 1 36 TYR H . . 3.070 2.210 2.184 2.247 . 0 0 "[ . 1 . 2]" 1
579 1 35 VAL HA 1 35 VAL MG2 . . 3.060 2.170 2.117 2.193 . 0 0 "[ . 1 . 2]" 1
580 1 57 VAL HA 1 57 VAL MG1 . . 3.270 2.520 2.464 2.586 . 0 0 "[ . 1 . 2]" 1
581 1 57 VAL HA 1 58 THR H . . 3.070 2.189 2.183 2.211 . 0 0 "[ . 1 . 2]" 1
582 1 80 GLU H 1 80 GLU QB . . 3.380 2.410 2.282 2.517 . 0 0 "[ . 1 . 2]" 1
583 1 80 GLU QB 1 81 ILE H . . 3.970 2.540 2.412 2.834 . 0 0 "[ . 1 . 2]" 1
584 1 77 ALA HA 1 80 GLU QB . . 3.530 2.833 2.622 2.966 . 0 0 "[ . 1 . 2]" 1
585 1 76 ARG HB2 1 77 ALA H . . 4.270 3.910 2.608 4.111 . 0 0 "[ . 1 . 2]" 1
586 1 41 CYS H 1 41 CYS HB3 . . 3.710 2.853 2.570 3.082 . 0 0 "[ . 1 . 2]" 1
587 1 41 CYS HB3 1 47 PRO HA . . 3.710 2.409 2.124 2.778 . 0 0 "[ . 1 . 2]" 1
588 1 41 CYS HB3 1 63 THR MG . . 4.100 3.818 3.163 4.106 0.006 13 0 "[ . 1 . 2]" 1
589 1 41 CYS H 1 41 CYS HB2 . . 3.680 2.630 2.467 2.909 . 0 0 "[ . 1 . 2]" 1
590 1 41 CYS HB2 1 47 PRO HA . . 3.810 3.228 2.507 3.809 . 0 0 "[ . 1 . 2]" 1
591 1 41 CYS HB2 1 63 THR MG . . 3.690 2.725 2.190 3.406 . 0 0 "[ . 1 . 2]" 1
592 1 19 VAL MG1 1 71 LYS QD . . 3.370 3.368 3.273 3.407 0.037 18 0 "[ . 1 . 2]" 1
593 1 71 LYS QD 1 71 LYS HG3 . . 2.660 2.181 2.179 2.193 . 0 0 "[ . 1 . 2]" 1
594 1 24 GLU HB2 1 25 TYR H . . 3.980 2.837 2.452 3.092 . 0 0 "[ . 1 . 2]" 1
595 1 24 GLU HB2 1 24 GLU HG3 . . 2.760 2.314 2.265 3.012 0.252 11 0 "[ . 1 . 2]" 1
596 1 24 GLU H 1 24 GLU HB2 . . 3.620 2.068 2.028 2.201 . 0 0 "[ . 1 . 2]" 1
597 1 24 GLU HB3 1 25 TYR H . . 3.890 2.274 2.084 2.575 . 0 0 "[ . 1 . 2]" 1
598 1 24 GLU H 1 24 GLU HB3 . . 3.430 3.306 3.130 3.482 0.052 11 0 "[ . 1 . 2]" 1
599 1 21 ILE HA 1 24 GLU HB3 . . 4.390 3.523 3.074 3.968 . 0 0 "[ . 1 . 2]" 1
600 1 36 TYR HA 1 52 VAL HA . . 4.160 2.539 2.364 2.742 . 0 0 "[ . 1 . 2]" 1
601 1 42 GLU HB2 1 42 GLU QG . . 2.660 2.387 2.180 2.572 . 0 0 "[ . 1 . 2]" 1
602 1 42 GLU HB3 1 42 GLU QG . . 2.800 2.370 2.179 2.553 . 0 0 "[ . 1 . 2]" 1
603 1 89 GLN H 1 89 GLN HB3 . . 4.040 3.547 2.744 4.036 . 0 0 "[ . 1 . 2]" 1
604 1 88 LYS HA 1 88 LYS QD . . 4.740 3.806 3.286 4.084 . 0 0 "[ . 1 . 2]" 1
605 1 67 LYS HD3 1 67 LYS QG . . 2.680 2.400 2.210 2.566 . 0 0 "[ . 1 . 2]" 1
606 1 67 LYS HB3 1 67 LYS HD3 . . 3.130 2.608 2.377 3.014 . 0 0 "[ . 1 . 2]" 1
607 1 54 ILE HA 1 55 ASP H . . 3.520 2.200 2.178 2.222 . 0 0 "[ . 1 . 2]" 1
608 1 54 ILE HA 1 54 ILE HG13 . . 3.990 2.820 2.721 2.915 . 0 0 "[ . 1 . 2]" 1
609 1 54 ILE HA 1 54 ILE MG . . 3.260 2.487 2.438 2.545 . 0 0 "[ . 1 . 2]" 1
610 1 54 ILE HA 1 54 ILE HG12 . . 3.260 2.474 2.362 2.554 . 0 0 "[ . 1 . 2]" 1
611 1 86 PHE HA 1 86 PHE QD . . 3.660 2.248 1.994 2.552 . 0 0 "[ . 1 . 2]" 1
612 1 83 ILE MG 1 86 PHE HA . . 3.950 2.315 1.977 2.981 . 0 0 "[ . 1 . 2]" 1
613 1 31 LYS HB2 1 31 LYS HD3 . . 3.900 2.971 1.974 4.189 0.289 20 0 "[ . 1 . 2]" 1
614 1 31 LYS H 1 31 LYS HB2 . . 3.750 3.292 3.002 3.755 0.005 2 0 "[ . 1 . 2]" 1
615 1 31 LYS HB2 1 31 LYS HD2 . . 3.820 3.014 2.167 3.766 . 0 0 "[ . 1 . 2]" 1
616 1 27 GLN H 1 27 GLN HB2 . . 3.440 2.921 2.857 2.949 . 0 0 "[ . 1 . 2]" 1
617 1 27 GLN HB2 1 27 GLN QG . . 2.600 2.410 2.388 2.428 . 0 0 "[ . 1 . 2]" 1
618 1 27 GLN H 1 27 GLN HB3 . . 3.430 2.141 2.131 2.169 . 0 0 "[ . 1 . 2]" 1
619 1 24 GLU HA 1 27 GLN HB3 . . 3.380 3.264 3.142 3.387 0.007 4 0 "[ . 1 . 2]" 1
620 1 31 LYS HB3 1 31 LYS HD2 . . 4.000 3.189 2.173 4.160 0.160 11 0 "[ . 1 . 2]" 1
621 1 31 LYS HA 1 31 LYS HD3 . . 4.790 4.047 3.606 4.550 . 0 0 "[ . 1 . 2]" 1
622 1 23 HIS HA 1 34 PRO QD . . 3.770 3.166 2.707 3.582 . 0 0 "[ . 1 . 2]" 1
623 1 23 HIS HA 1 34 PRO HG3 . . 3.750 2.484 1.998 2.713 . 0 0 "[ . 1 . 2]" 1
624 1 21 ILE H 1 21 ILE HG12 . . 3.640 3.591 3.427 3.822 0.182 15 0 "[ . 1 . 2]" 1
625 1 21 ILE HG12 1 21 ILE MG . . 2.820 2.236 2.087 2.389 . 0 0 "[ . 1 . 2]" 1
626 1 21 ILE H 1 21 ILE HG13 . . 4.050 2.199 1.947 2.817 . 0 0 "[ . 1 . 2]" 1
627 1 11 ILE HA 1 11 ILE MG . . 3.400 2.376 2.178 2.523 . 0 0 "[ . 1 . 2]" 1
628 1 36 TYR QD 1 71 LYS HA . . 4.370 3.532 3.085 4.038 . 0 0 "[ . 1 . 2]" 1
629 1 36 TYR QE 1 71 LYS HA . . 4.830 4.029 3.469 4.743 . 0 0 "[ . 1 . 2]" 1
630 1 71 LYS HA 1 74 ALA MB . . 3.210 2.449 2.214 2.804 . 0 0 "[ . 1 . 2]" 1
631 1 38 PHE QE 1 71 LYS HA . . 4.300 3.947 3.542 4.191 . 0 0 "[ . 1 . 2]" 1
632 1 67 LYS HA 1 67 LYS QG . . 3.420 2.176 2.032 2.398 . 0 0 "[ . 1 . 2]" 1
633 1 67 LYS HA 1 70 ALA H . . 4.110 3.543 3.411 3.650 . 0 0 "[ . 1 . 2]" 1
634 1 48 PHE HB3 1 67 LYS HA . . 3.750 2.484 2.194 3.075 . 0 0 "[ . 1 . 2]" 1
635 1 67 LYS HA 1 70 ALA MB . . 2.890 2.773 2.658 2.886 . 0 0 "[ . 1 . 2]" 1
636 1 48 PHE HB2 1 67 LYS HA . . 4.140 3.766 3.423 3.993 . 0 0 "[ . 1 . 2]" 1
637 1 18 GLU HB2 1 19 VAL H . . 4.480 3.241 2.909 3.586 . 0 0 "[ . 1 . 2]" 1
638 1 18 GLU HB2 1 72 ASN HA . . 4.220 3.862 3.596 4.068 . 0 0 "[ . 1 . 2]" 1
639 1 18 GLU HB3 1 79 LEU MD1 . . 4.370 4.022 3.649 4.235 . 0 0 "[ . 1 . 2]" 1
640 1 81 ILE HA 1 81 ILE HG13 . . 3.390 2.870 2.803 2.957 . 0 0 "[ . 1 . 2]" 1
641 1 81 ILE HB 1 81 ILE HG13 . . 2.820 2.453 2.423 2.490 . 0 0 "[ . 1 . 2]" 1
642 1 18 GLU HB2 1 18 GLU HG2 . . 2.990 2.543 2.412 2.703 . 0 0 "[ . 1 . 2]" 1
643 1 18 GLU HB3 1 72 ASN HA . . 4.630 3.123 2.966 3.534 . 0 0 "[ . 1 . 2]" 1
644 1 73 LYS HA 1 76 ARG H . . 4.090 3.327 3.196 3.431 . 0 0 "[ . 1 . 2]" 1
645 1 73 LYS HA 1 76 ARG HB3 . . 3.340 2.161 1.999 3.971 0.631 18 1 "[ . 1 . + 2]" 1
646 1 73 LYS HA 1 73 LYS HG3 . . 3.350 2.619 2.449 3.076 . 0 0 "[ . 1 . 2]" 1
647 1 73 LYS HA 1 73 LYS HG2 . . 3.480 2.529 2.298 2.770 . 0 0 "[ . 1 . 2]" 1
648 1 76 ARG HA 1 76 ARG HD3 . . 4.730 4.538 3.991 4.773 0.043 15 0 "[ . 1 . 2]" 1
649 1 24 GLU HA 1 24 GLU HG3 . . 3.420 3.177 2.077 3.412 . 0 0 "[ . 1 . 2]" 1
650 1 68 LYS HA 1 71 LYS HB2 . . 2.860 2.887 2.872 2.893 0.033 20 0 "[ . 1 . 2]" 1
651 1 76 ARG HA 1 79 LEU HB2 . . 2.720 2.703 2.496 2.737 0.017 16 0 "[ . 1 . 2]" 1
652 1 68 LYS HA 1 68 LYS HB3 . . 2.950 2.778 2.566 2.964 0.014 5 0 "[ . 1 . 2]" 1
653 1 68 LYS HA 1 68 LYS HG2 . . 3.440 2.540 2.054 3.431 . 0 0 "[ . 1 . 2]" 1
654 1 24 GLU HA 1 24 GLU HB3 . . 3.050 2.884 2.740 2.967 . 0 0 "[ . 1 . 2]" 1
655 1 76 ARG HA 1 76 ARG HG2 . . 4.060 2.784 2.526 3.149 . 0 0 "[ . 1 . 2]" 1
656 1 30 LEU H 1 30 LEU HG . . 3.780 2.421 2.160 2.621 . 0 0 "[ . 1 . 2]" 1
657 1 29 VAL QG 1 30 LEU HG . . 3.110 2.204 1.842 3.032 . 0 0 "[ . 1 . 2]" 1
658 1 26 MET HA 1 30 LEU HG . . 4.340 3.151 2.383 3.590 . 0 0 "[ . 1 . 2]" 1
659 1 11 ILE HA 1 11 ILE QG . . 3.930 2.833 2.262 3.399 . 0 0 "[ . 1 . 2]" 1
660 1 53 THR HA 1 59 TYR H . . 4.070 3.301 3.141 3.659 . 0 0 "[ . 1 . 2]" 1
661 1 52 VAL MG1 1 53 THR HA . . 4.500 3.828 3.649 3.958 . 0 0 "[ . 1 . 2]" 1
662 1 53 THR HA 1 54 ILE H . . 3.080 2.155 2.152 2.161 . 0 0 "[ . 1 . 2]" 1
663 1 53 THR HA 1 58 THR HA . . 3.360 2.171 2.040 2.512 . 0 0 "[ . 1 . 2]" 1
664 1 26 MET HA 1 30 LEU H . . 3.920 2.839 2.710 3.024 . 0 0 "[ . 1 . 2]" 1
665 1 25 TYR QD 1 26 MET HA . . 4.180 2.320 2.266 2.357 . 0 0 "[ . 1 . 2]" 1
666 1 26 MET HA 1 26 MET HG2 . . 3.150 2.085 2.038 2.118 . 0 0 "[ . 1 . 2]" 1
667 1 84 PRO QG 1 85 ASP H . . 4.270 2.935 2.582 3.459 . 0 0 "[ . 1 . 2]" 1
668 1 69 LEU HA 1 69 LEU HG . . 3.820 3.715 3.708 3.721 . 0 0 "[ . 1 . 2]" 1
669 1 33 ARG QG 1 34 PRO QD . . 3.810 3.128 2.134 3.733 . 0 0 "[ . 1 . 2]" 1
670 1 28 ARG QB 1 28 ARG HG2 . . 2.400 2.230 2.218 2.238 . 0 0 "[ . 1 . 2]" 1
671 1 22 LEU HA 1 22 LEU HG . . 3.940 3.782 3.661 3.843 . 0 0 "[ . 1 . 2]" 1
672 1 22 LEU HG 1 26 MET HG3 . . 4.850 4.329 4.115 4.598 . 0 0 "[ . 1 . 2]" 1
673 1 28 ARG HG3 1 29 VAL H . . 4.220 3.972 3.654 4.111 . 0 0 "[ . 1 . 2]" 1
674 1 28 ARG H 1 28 ARG HG3 . . 4.510 4.358 4.309 4.375 . 0 0 "[ . 1 . 2]" 1
675 1 34 PRO HG2 1 36 TYR QE . . 4.290 2.897 2.441 4.265 . 0 0 "[ . 1 . 2]" 1
676 1 22 LEU MD1 1 34 PRO HG3 . . 4.180 2.346 1.878 2.720 . 0 0 "[ . 1 . 2]" 1
677 1 28 ARG HG2 1 29 VAL H . . 3.870 3.459 3.112 3.644 . 0 0 "[ . 1 . 2]" 1
678 1 54 ILE HG13 1 59 TYR QD . . 4.630 3.110 2.869 3.730 . 0 0 "[ . 1 . 2]" 1
679 1 54 ILE HG13 1 54 ILE MG . . 3.220 3.225 3.219 3.236 0.016 20 0 "[ . 1 . 2]" 1
680 1 54 ILE HG12 1 54 ILE MG . . 2.830 2.414 2.300 2.522 . 0 0 "[ . 1 . 2]" 1
681 1 63 THR HA 1 64 ALA H . . 3.220 2.548 2.503 2.581 . 0 0 "[ . 1 . 2]" 1
682 1 49 GLY HA2 1 63 THR HA . . 3.380 2.001 1.991 2.053 . 0 0 "[ . 1 . 2]" 1
683 1 49 GLY HA3 1 63 THR HA . . 3.690 3.549 3.441 3.598 . 0 0 "[ . 1 . 2]" 1
684 1 63 THR HA 1 70 ALA MB . . 3.260 2.426 2.153 2.700 . 0 0 "[ . 1 . 2]" 1
685 1 63 THR HA 1 63 THR MG . . 3.220 2.476 2.358 2.587 . 0 0 "[ . 1 . 2]" 1
686 1 50 ALA H 1 63 THR HA . . 4.250 3.174 2.951 3.360 . 0 0 "[ . 1 . 2]" 1
687 1 80 GLU HA 1 80 GLU HG2 . . 3.550 2.269 2.181 2.465 . 0 0 "[ . 1 . 2]" 1
688 1 16 LYS HB2 1 20 CYS QB . . 3.810 3.069 1.957 4.459 0.649 6 1 "[ .+ 1 . 2]" 1
689 1 20 CYS QB 1 21 ILE H . . 3.850 2.431 2.329 2.593 . 0 0 "[ . 1 . 2]" 1
690 1 79 LEU HA 1 82 LEU H . . 4.400 3.498 3.289 3.709 . 0 0 "[ . 1 . 2]" 1
691 1 78 THR MG 1 79 LEU HA . . 4.320 3.598 3.364 3.826 . 0 0 "[ . 1 . 2]" 1
692 1 22 LEU MD2 1 79 LEU HA . . 3.950 2.899 2.755 3.136 . 0 0 "[ . 1 . 2]" 1
693 1 79 LEU HA 1 83 ILE HG13 . . 3.360 3.214 3.034 3.376 0.016 15 0 "[ . 1 . 2]" 1
694 1 79 LEU HA 1 79 LEU HG . . 3.330 2.895 2.806 2.971 . 0 0 "[ . 1 . 2]" 1
695 1 79 LEU HA 1 79 LEU HB3 . . 3.020 2.657 2.623 2.693 . 0 0 "[ . 1 . 2]" 1
696 1 79 LEU HA 1 79 LEU MD2 . . 3.050 1.960 1.894 2.056 . 0 0 "[ . 1 . 2]" 1
697 1 79 LEU HA 1 83 ILE MD . . 4.460 4.114 3.676 4.310 . 0 0 "[ . 1 . 2]" 1
698 1 28 ARG HA 1 28 ARG HG3 . . 3.780 2.643 2.626 2.730 . 0 0 "[ . 1 . 2]" 1
699 1 28 ARG HA 1 28 ARG HG2 . . 3.780 3.715 3.687 3.784 0.004 17 0 "[ . 1 . 2]" 1
700 1 83 ILE HA 1 83 ILE HG12 . . 4.150 2.685 2.591 2.824 . 0 0 "[ . 1 . 2]" 1
701 1 83 ILE HA 1 83 ILE HG13 . . 4.010 3.486 3.336 3.562 . 0 0 "[ . 1 . 2]" 1
702 1 21 ILE MG 1 22 LEU HA . . 3.260 3.248 3.102 3.285 0.025 9 0 "[ . 1 . 2]" 1
703 1 44 PRO HA 1 47 PRO HG3 . . 4.080 3.922 3.654 4.081 0.001 7 0 "[ . 1 . 2]" 1
704 1 82 LEU HA 1 82 LEU HG . . 4.240 2.800 2.673 2.894 . 0 0 "[ . 1 . 2]" 1
705 1 47 PRO HG2 1 48 PHE QE . . 4.380 2.563 2.292 2.653 . 0 0 "[ . 1 . 2]" 1
706 1 47 PRO HG2 1 48 PHE QD . . 4.120 2.752 2.272 3.085 . 0 0 "[ . 1 . 2]" 1
707 1 83 ILE H 1 83 ILE HG12 . . 4.210 2.712 2.487 3.050 . 0 0 "[ . 1 . 2]" 1
708 1 79 LEU MD2 1 83 ILE HG12 . . 4.280 3.840 3.546 4.133 . 0 0 "[ . 1 . 2]" 1
709 1 83 ILE HG13 1 83 ILE MG . . 3.580 3.215 3.199 3.240 . 0 0 "[ . 1 . 2]" 1
710 1 82 LEU H 1 82 LEU MD1 . . 4.010 2.825 2.489 3.051 . 0 0 "[ . 1 . 2]" 1
711 1 59 TYR QD 1 82 LEU MD1 . . 4.500 4.115 3.314 4.490 . 0 0 "[ . 1 . 2]" 1
712 1 25 TYR QD 1 82 LEU MD1 . . 3.620 3.317 2.977 3.576 . 0 0 "[ . 1 . 2]" 1
713 1 82 LEU HA 1 82 LEU MD1 . . 4.230 3.929 3.874 3.970 . 0 0 "[ . 1 . 2]" 1
714 1 79 LEU HA 1 82 LEU MD1 . . 4.690 2.431 1.994 2.698 . 0 0 "[ . 1 . 2]" 1
715 1 82 LEU HB2 1 82 LEU MD1 . . 3.000 1.962 1.929 2.005 . 0 0 "[ . 1 . 2]" 1
716 1 54 ILE MD 1 82 LEU MD1 . . 3.650 3.023 2.650 3.248 . 0 0 "[ . 1 . 2]" 1
717 1 82 LEU MD1 1 83 ILE MD . . 4.330 4.290 4.169 4.334 0.004 9 0 "[ . 1 . 2]" 1
718 1 71 LYS H 1 71 LYS HG3 . . 4.140 3.801 3.714 3.920 . 0 0 "[ . 1 . 2]" 1
719 1 36 TYR QD 1 71 LYS HG3 . . 4.300 2.334 2.042 3.404 . 0 0 "[ . 1 . 2]" 1
720 1 71 LYS HA 1 71 LYS HG3 . . 4.020 2.315 2.180 2.497 . 0 0 "[ . 1 . 2]" 1
721 1 50 ALA MB 1 71 LYS HG3 . . 4.350 2.907 2.594 3.246 . 0 0 "[ . 1 . 2]" 1
722 1 70 ALA HA 1 73 LYS HG3 . . 4.470 4.303 3.609 4.471 0.001 3 0 "[ . 1 . 2]" 1
723 1 22 LEU H 1 22 LEU MD1 . . 4.700 3.905 3.769 4.041 . 0 0 "[ . 1 . 2]" 1
724 1 22 LEU HB3 1 22 LEU MD1 . . 3.480 2.158 2.113 2.224 . 0 0 "[ . 1 . 2]" 1
725 1 22 LEU MD1 1 78 THR HB . . 3.950 3.802 3.577 3.946 . 0 0 "[ . 1 . 2]" 1
726 1 22 LEU HA 1 22 LEU MD1 . . 3.680 3.425 3.310 3.496 . 0 0 "[ . 1 . 2]" 1
727 1 22 LEU MD1 1 23 HIS HA . . 3.310 2.488 2.290 2.635 . 0 0 "[ . 1 . 2]" 1
728 1 22 LEU MD1 1 52 VAL MG1 . . 3.460 2.442 2.096 2.704 . 0 0 "[ . 1 . 2]" 1
729 1 48 PHE HB3 1 67 LYS QG . . 4.330 3.254 2.830 3.901 . 0 0 "[ . 1 . 2]" 1
730 1 48 PHE QD 1 67 LYS QG . . 3.570 2.676 1.990 3.448 . 0 0 "[ . 1 . 2]" 1
731 1 30 LEU H 1 30 LEU MD1 . . 3.810 3.552 3.387 3.704 . 0 0 "[ . 1 . 2]" 1
732 1 25 TYR QD 1 30 LEU MD1 . . 3.820 3.789 3.486 3.877 0.057 9 0 "[ . 1 . 2]" 1
733 1 30 LEU HA 1 30 LEU MD1 . . 4.180 3.869 3.842 3.898 . 0 0 "[ . 1 . 2]" 1
734 1 26 MET HA 1 30 LEU MD1 . . 3.940 2.681 2.502 2.796 . 0 0 "[ . 1 . 2]" 1
735 1 30 LEU HB2 1 30 LEU MD1 . . 3.090 2.318 2.202 2.370 . 0 0 "[ . 1 . 2]" 1
736 1 30 LEU HB3 1 30 LEU MD1 . . 3.080 2.393 2.287 2.473 . 0 0 "[ . 1 . 2]" 1
737 1 38 PHE HA 1 39 PHE H . . 3.150 2.308 2.239 2.437 . 0 0 "[ . 1 . 2]" 1
738 1 22 LEU H 1 79 LEU MD1 . . 4.090 3.011 2.808 3.250 . 0 0 "[ . 1 . 2]" 1
739 1 79 LEU MD1 1 86 PHE HE2 . . 3.760 2.638 1.967 3.553 . 0 0 "[ . 1 . 2]" 1
740 1 22 LEU HA 1 79 LEU MD1 . . 4.400 3.074 2.685 3.333 . 0 0 "[ . 1 . 2]" 1
741 1 76 ARG HA 1 79 LEU MD1 . . 3.330 2.878 2.548 3.189 . 0 0 "[ . 1 . 2]" 1
742 1 18 GLU HG2 1 79 LEU MD1 . . 4.180 3.128 2.784 3.514 . 0 0 "[ . 1 . 2]" 1
743 1 18 GLU HG3 1 79 LEU MD1 . . 3.910 1.974 1.921 2.134 . 0 0 "[ . 1 . 2]" 1
744 1 22 LEU HB3 1 79 LEU MD1 . . 4.320 3.955 3.732 4.286 . 0 0 "[ . 1 . 2]" 1
745 1 79 LEU HB3 1 79 LEU MD1 . . 2.400 2.288 2.181 2.370 . 0 0 "[ . 1 . 2]" 1
746 1 79 LEU MD1 1 83 ILE MD . . 4.210 3.595 2.986 4.021 . 0 0 "[ . 1 . 2]" 1
747 1 69 LEU HA 1 72 ASN H . . 3.430 3.349 3.217 3.439 0.009 18 0 "[ . 1 . 2]" 1
748 1 69 LEU HA 1 72 ASN HB3 . . 3.750 2.873 2.181 3.841 0.091 3 0 "[ . 1 . 2]" 1
749 1 69 LEU HA 1 69 LEU HB3 . . 2.910 2.576 2.570 2.583 . 0 0 "[ . 1 . 2]" 1
750 1 16 LYS HA 1 16 LYS QG . . 3.780 2.872 2.016 3.411 . 0 0 "[ . 1 . 2]" 1
751 1 16 LYS QE 1 16 LYS QG . . 3.430 2.082 1.958 2.293 . 0 0 "[ . 1 . 2]" 1
752 1 42 GLU HA 1 42 GLU QG . . 3.630 2.228 1.970 3.329 . 0 0 "[ . 1 . 2]" 1
753 1 31 LYS HA 1 32 VAL H . . 3.490 2.767 2.600 2.851 . 0 0 "[ . 1 . 2]" 1
754 1 31 LYS HA 1 31 LYS HD2 . . 3.970 4.105 3.372 4.721 0.751 6 4 "[ * .+ 1* . - 2]" 1
755 1 61 SER HA 1 62 GLY H . . 3.300 2.326 2.215 2.567 . 0 0 "[ . 1 . 2]" 1
756 1 51 SER HA 1 61 SER HA . . 3.180 2.075 1.988 2.284 . 0 0 "[ . 1 . 2]" 1
757 1 61 SER HA 1 74 ALA HA . . 3.320 2.596 2.058 3.129 . 0 0 "[ . 1 . 2]" 1
758 1 16 LYS H 1 16 LYS QG . . 4.390 2.566 1.934 3.530 . 0 0 "[ . 1 . 2]" 1
759 1 31 LYS H 1 31 LYS QG . . 3.990 3.639 2.605 4.037 0.047 13 0 "[ . 1 . 2]" 1
760 1 31 LYS HA 1 31 LYS QG . . 3.380 2.121 1.934 3.352 . 0 0 "[ . 1 . 2]" 1
761 1 31 LYS QG 1 32 VAL H . . 4.410 4.382 3.936 4.476 0.066 9 0 "[ . 1 . 2]" 1
762 1 68 LYS HA 1 68 LYS HG3 . . 4.020 2.555 1.983 3.416 . 0 0 "[ . 1 . 2]" 1
763 1 51 SER HA 1 52 VAL H . . 3.290 2.488 2.358 2.554 . 0 0 "[ . 1 . 2]" 1
764 1 8 GLU HA 1 8 GLU HG3 . . 4.080 2.705 2.002 3.920 . 0 0 "[ . 1 . 2]" 1
765 1 69 LEU H 1 69 LEU MD2 . . 3.910 1.816 1.800 1.837 . 0 0 "[ . 1 . 2]" 1
766 1 66 SER H 1 69 LEU MD2 . . 3.890 3.894 3.882 3.903 0.013 9 0 "[ . 1 . 2]" 1
767 1 69 LEU HA 1 69 LEU MD2 . . 3.880 1.993 1.970 2.019 . 0 0 "[ . 1 . 2]" 1
768 1 69 LEU HB2 1 69 LEU MD2 . . 3.230 2.697 2.688 2.707 . 0 0 "[ . 1 . 2]" 1
769 1 89 GLN HA 1 89 GLN QG . . 3.850 2.144 1.973 2.499 . 0 0 "[ . 1 . 2]" 1
770 1 64 ALA MB 1 65 SER H . . 3.420 2.162 2.040 2.393 . 0 0 "[ . 1 . 2]" 1
771 1 64 ALA MB 1 70 ALA H . . 3.460 2.386 2.181 2.657 . 0 0 "[ . 1 . 2]" 1
772 1 64 ALA MB 1 66 SER H . . 3.250 2.427 2.195 2.659 . 0 0 "[ . 1 . 2]" 1
773 1 63 THR HA 1 64 ALA MB . . 4.630 3.691 3.617 3.753 . 0 0 "[ . 1 . 2]" 1
774 1 64 ALA MB 1 65 SER QB . . 4.120 3.715 3.582 3.944 . 0 0 "[ . 1 . 2]" 1
775 1 64 ALA MB 1 73 LYS HE3 . . 4.330 4.109 2.936 4.337 0.007 20 0 "[ . 1 . 2]" 1
776 1 64 ALA MB 1 73 LYS QB . . 4.040 3.871 3.562 4.047 0.007 16 0 "[ . 1 . 2]" 1
777 1 64 ALA MB 1 69 LEU MD1 . . 3.470 2.909 2.814 2.994 . 0 0 "[ . 1 . 2]" 1
778 1 70 ALA HA 1 73 LYS H . . 3.500 3.423 3.256 3.534 0.034 18 0 "[ . 1 . 2]" 1
779 1 70 ALA HA 1 73 LYS QB . . 3.480 2.588 2.443 2.720 . 0 0 "[ . 1 . 2]" 1
780 1 70 ALA HA 1 73 LYS QD . . 3.510 3.034 2.540 3.513 0.003 4 0 "[ . 1 . 2]" 1
781 1 64 ALA MB 1 70 ALA HA . . 3.310 2.819 2.230 3.087 . 0 0 "[ . 1 . 2]" 1
782 1 29 VAL QG 1 30 LEU HA . . 3.810 3.158 2.865 3.483 . 0 0 "[ . 1 . 2]" 1
783 1 30 LEU HA 1 30 LEU HG . . 3.640 2.977 2.819 3.317 . 0 0 "[ . 1 . 2]" 1
784 1 75 ALA HA 1 78 THR HG1 . . 4.190 3.371 2.860 3.901 . 0 0 "[ . 1 . 2]" 1
785 1 75 ALA HA 1 78 THR HB . . 3.550 2.554 2.229 2.787 . 0 0 "[ . 1 . 2]" 1
786 1 64 ALA MB 1 66 SER HB2 . . 4.930 4.235 3.874 4.544 . 0 0 "[ . 1 . 2]" 1
787 1 22 LEU MD2 1 78 THR HB . . 4.380 2.757 2.159 3.106 . 0 0 "[ . 1 . 2]" 1
788 1 22 LEU HA 1 22 LEU MD2 . . 3.170 2.056 1.962 2.231 . 0 0 "[ . 1 . 2]" 1
789 1 22 LEU MD2 1 26 MET HG2 . . 4.110 3.087 2.906 3.422 . 0 0 "[ . 1 . 2]" 1
790 1 22 LEU MD2 1 79 LEU HG . . 2.950 2.450 2.098 2.942 . 0 0 "[ . 1 . 2]" 1
791 1 22 LEU HB2 1 22 LEU MD2 . . 3.540 2.551 2.442 2.653 . 0 0 "[ . 1 . 2]" 1
792 1 22 LEU MD2 1 79 LEU MD2 . . 2.990 2.032 1.765 2.254 . 0 0 "[ . 1 . 2]" 1
793 1 22 LEU MD2 1 79 LEU H . . 4.620 3.227 2.697 3.732 . 0 0 "[ . 1 . 2]" 1
794 1 25 TYR QD 1 79 LEU MD2 . . 4.480 3.525 3.269 3.851 . 0 0 "[ . 1 . 2]" 1
795 1 79 LEU H 1 79 LEU MD2 . . 4.100 3.624 3.530 3.761 . 0 0 "[ . 1 . 2]" 1
796 1 22 LEU HA 1 79 LEU MD2 . . 3.310 2.096 1.912 2.383 . 0 0 "[ . 1 . 2]" 1
797 1 22 LEU HB2 1 79 LEU MD2 . . 4.170 3.044 2.718 3.477 . 0 0 "[ . 1 . 2]" 1
798 1 21 ILE MG 1 79 LEU MD2 . . 3.090 2.792 2.400 3.067 . 0 0 "[ . 1 . 2]" 1
799 1 79 LEU MD2 1 83 ILE MD . . 3.190 2.375 2.093 2.701 . 0 0 "[ . 1 . 2]" 1
800 1 61 SER H 1 74 ALA HA . . 4.820 3.834 3.529 4.086 . 0 0 "[ . 1 . 2]" 1
801 1 74 ALA HA 1 77 ALA MB . . 3.470 2.922 2.699 3.200 . 0 0 "[ . 1 . 2]" 1
802 1 60 GLY HA2 1 74 ALA HA . . 4.500 4.575 4.122 5.150 0.650 3 2 "[ + . 1 . - 2]" 1
803 1 69 LEU H 1 69 LEU MD1 . . 4.080 3.877 3.858 3.903 . 0 0 "[ . 1 . 2]" 1
804 1 69 LEU MD1 1 72 ASN HD21 . . 4.660 3.724 2.763 4.612 . 0 0 "[ . 1 . 2]" 1
805 1 69 LEU HA 1 69 LEU MD1 . . 3.100 2.610 2.500 2.674 . 0 0 "[ . 1 . 2]" 1
806 1 69 LEU HB2 1 69 LEU MD1 . . 3.330 3.115 3.105 3.134 . 0 0 "[ . 1 . 2]" 1
807 1 22 LEU H 1 79 LEU MD2 . . 5.140 3.773 3.537 4.112 . 0 0 "[ . 1 . 2]" 1
808 1 78 THR MG 1 79 LEU MD2 . . 3.750 3.719 3.620 3.769 0.019 18 0 "[ . 1 . 2]" 1
809 1 30 LEU HA 1 30 LEU MD2 . . 3.040 1.988 1.949 2.065 . 0 0 "[ . 1 . 2]" 1
810 1 30 LEU HB3 1 30 LEU MD2 . . 3.150 2.390 2.343 2.513 . 0 0 "[ . 1 . 2]" 1
811 1 30 LEU MD2 1 54 ILE MD . . 4.850 4.111 3.774 4.566 . 0 0 "[ . 1 . 2]" 1
812 1 25 TYR QE 1 30 LEU MD2 . . 4.610 4.315 3.527 4.627 0.017 16 0 "[ . 1 . 2]" 1
813 1 50 ALA MB 1 71 LYS H . . 3.990 3.223 2.986 3.605 . 0 0 "[ . 1 . 2]" 1
814 1 50 ALA MB 1 51 SER H . . 3.580 2.765 2.599 2.905 . 0 0 "[ . 1 . 2]" 1
815 1 50 ALA H 1 50 ALA MB . . 3.590 2.643 2.530 2.694 . 0 0 "[ . 1 . 2]" 1
816 1 50 ALA MB 1 74 ALA H . . 4.800 3.901 3.693 4.202 . 0 0 "[ . 1 . 2]" 1
817 1 38 PHE QE 1 50 ALA MB . . 3.740 2.611 2.338 2.778 . 0 0 "[ . 1 . 2]" 1
818 1 38 PHE HA 1 50 ALA MB . . 3.200 3.086 2.781 3.216 0.016 19 0 "[ . 1 . 2]" 1
819 1 50 ALA MB 1 71 LYS HA . . 3.160 2.461 2.214 2.727 . 0 0 "[ . 1 . 2]" 1
820 1 50 ALA MB 1 71 LYS HB2 . . 3.980 3.672 3.513 3.898 . 0 0 "[ . 1 . 2]" 1
821 1 50 ALA MB 1 74 ALA MB . . 3.070 2.381 2.157 2.596 . 0 0 "[ . 1 . 2]" 1
822 1 50 ALA MB 1 70 ALA MB . . 3.000 2.094 1.831 2.441 . 0 0 "[ . 1 . 2]" 1
823 1 30 LEU H 1 30 LEU MD2 . . 4.320 3.540 2.973 3.765 . 0 0 "[ . 1 . 2]" 1
824 1 36 TYR QD 1 52 VAL MG2 . . 3.740 3.136 2.127 3.567 . 0 0 "[ . 1 . 2]" 1
825 1 36 TYR HA 1 52 VAL MG2 . . 3.600 3.323 3.180 3.484 . 0 0 "[ . 1 . 2]" 1
826 1 52 VAL MG2 1 78 THR HB . . 3.340 3.345 3.326 3.354 0.014 20 0 "[ . 1 . 2]" 1
827 1 52 VAL MG2 1 74 ALA HA . . 4.250 3.335 3.173 3.589 . 0 0 "[ . 1 . 2]" 1
828 1 52 VAL MG2 1 53 THR H . . 4.110 4.070 3.932 4.121 0.011 4 0 "[ . 1 . 2]" 1
829 1 52 VAL MG2 1 75 ALA H . . 4.310 3.043 2.873 3.255 . 0 0 "[ . 1 . 2]" 1
830 1 52 VAL H 1 52 VAL MG2 . . 3.600 2.943 2.814 3.097 . 0 0 "[ . 1 . 2]" 1
831 1 36 TYR QE 1 52 VAL MG2 . . 3.530 3.087 2.611 3.487 . 0 0 "[ . 1 . 2]" 1
832 1 51 SER HA 1 52 VAL MG2 . . 4.600 3.581 3.468 3.717 . 0 0 "[ . 1 . 2]" 1
833 1 52 VAL HA 1 52 VAL MG2 . . 3.250 2.243 2.139 2.309 . 0 0 "[ . 1 . 2]" 1
834 1 52 VAL MG2 1 75 ALA HA . . 3.580 2.054 1.968 2.249 . 0 0 "[ . 1 . 2]" 1
835 1 52 VAL MG2 1 75 ALA MB . . 3.680 2.844 2.600 3.005 . 0 0 "[ . 1 . 2]" 1
836 1 52 VAL MG2 1 74 ALA MB . . 3.120 1.830 1.788 1.926 . 0 0 "[ . 1 . 2]" 1
837 1 22 LEU MD1 1 52 VAL MG2 . . 3.210 3.167 2.936 3.219 0.009 11 0 "[ . 1 . 2]" 1
838 1 19 VAL MG1 1 71 LYS HG3 . . 4.820 3.931 3.639 4.268 . 0 0 "[ . 1 . 2]" 1
839 1 19 VAL H 1 19 VAL MG1 . . 3.270 2.111 1.897 2.297 . 0 0 "[ . 1 . 2]" 1
840 1 19 VAL MG1 1 72 ASN HA . . 3.250 2.353 1.794 2.675 . 0 0 "[ . 1 . 2]" 1
841 1 19 VAL MG1 1 71 LYS HB3 . . 3.020 2.288 2.078 2.545 . 0 0 "[ . 1 . 2]" 1
842 1 82 LEU H 1 82 LEU MD2 . . 4.220 3.715 3.617 3.841 . 0 0 "[ . 1 . 2]" 1
843 1 59 TYR QD 1 82 LEU MD2 . . 4.110 3.912 3.413 4.115 0.005 9 0 "[ . 1 . 2]" 1
844 1 25 TYR QE 1 82 LEU MD2 . . 3.750 2.563 1.953 3.179 . 0 0 "[ . 1 . 2]" 1
845 1 82 LEU HA 1 82 LEU MD2 . . 3.000 2.777 2.530 3.006 0.006 4 0 "[ . 1 . 2]" 1
846 1 82 LEU HB3 1 82 LEU MD2 . . 3.160 2.047 1.970 2.197 . 0 0 "[ . 1 . 2]" 1
847 1 81 ILE MG 1 82 LEU MD2 . . 3.830 3.296 2.973 3.661 . 0 0 "[ . 1 . 2]" 1
848 1 57 VAL HB 1 59 TYR QE . . 3.390 2.550 2.079 2.793 . 0 0 "[ . 1 . 2]" 1
849 1 54 ILE HB 1 59 TYR QE . . 3.510 2.053 1.996 2.520 . 0 0 "[ . 1 . 2]" 1
850 1 59 TYR QE 1 82 LEU MD2 . . 3.460 2.937 2.289 3.262 . 0 0 "[ . 1 . 2]" 1
851 1 57 VAL MG1 1 59 TYR QE . . 3.390 2.091 1.885 2.490 . 0 0 "[ . 1 . 2]" 1
852 1 54 ILE MG 1 59 TYR QE . . 3.580 2.799 2.417 3.069 . 0 0 "[ . 1 . 2]" 1
853 1 77 ALA HA 1 80 GLU H . . 4.410 3.469 3.275 3.576 . 0 0 "[ . 1 . 2]" 1
854 1 36 TYR QE 1 71 LYS HG2 . . 3.730 2.207 1.996 3.272 . 0 0 "[ . 1 . 2]" 1
855 1 25 TYR QE 1 30 LEU HG . . 3.670 3.505 3.087 3.677 0.007 20 0 "[ . 1 . 2]" 1
856 1 25 TYR QE 1 30 LEU MD1 . . 3.720 3.276 2.950 3.478 . 0 0 "[ . 1 . 2]" 1
857 1 25 TYR QE 1 29 VAL QG . . 3.540 2.548 2.198 2.984 . 0 0 "[ . 1 . 2]" 1
858 1 25 TYR QE 1 82 LEU MD1 . . 3.380 2.623 2.218 2.928 . 0 0 "[ . 1 . 2]" 1
859 1 78 THR H 1 78 THR MG . . 3.790 3.678 3.669 3.689 . 0 0 "[ . 1 . 2]" 1
860 1 52 VAL HB 1 78 THR MG . . 4.020 3.507 3.261 3.756 . 0 0 "[ . 1 . 2]" 1
861 1 78 THR MG 1 79 LEU H . . 4.420 3.514 3.316 3.712 . 0 0 "[ . 1 . 2]" 1
862 1 60 GLY H 1 78 THR MG . . 3.570 3.378 3.180 3.582 0.012 12 0 "[ . 1 . 2]" 1
863 1 59 TYR QD 1 78 THR MG . . 3.720 3.135 2.202 3.480 . 0 0 "[ . 1 . 2]" 1
864 1 59 TYR HB2 1 78 THR MG . . 3.220 2.928 2.695 3.132 . 0 0 "[ . 1 . 2]" 1
865 1 59 TYR HB3 1 78 THR MG . . 3.300 2.641 2.444 2.787 . 0 0 "[ . 1 . 2]" 1
866 1 78 THR MG 1 81 ILE HB . . 4.520 3.638 3.315 3.913 . 0 0 "[ . 1 . 2]" 1
867 1 78 THR MG 1 82 LEU HG . . 3.510 3.431 3.239 3.529 0.019 18 0 "[ . 1 . 2]" 1
868 1 22 LEU MD2 1 78 THR MG . . 2.860 1.826 1.672 1.901 . 0 0 "[ . 1 . 2]" 1
869 1 78 THR MG 1 82 LEU MD1 . . 2.830 1.942 1.816 2.149 . 0 0 "[ . 1 . 2]" 1
870 1 52 VAL MG1 1 54 ILE MD . . 3.790 3.216 2.994 3.369 . 0 0 "[ . 1 . 2]" 1
871 1 36 TYR QE 1 75 ALA H . . 4.580 4.107 3.529 4.492 . 0 0 "[ . 1 . 2]" 1
872 1 19 VAL HA 1 36 TYR QE . . 4.230 3.304 3.006 3.435 . 0 0 "[ . 1 . 2]" 1
873 1 36 TYR QE 1 71 LYS HE2 . . 4.480 2.927 2.026 3.697 . 0 0 "[ . 1 . 2]" 1
874 1 36 TYR QE 1 71 LYS HE3 . . 4.020 2.896 2.141 3.412 . 0 0 "[ . 1 . 2]" 1
875 1 36 TYR QE 1 75 ALA MB . . 3.800 2.875 2.365 3.204 . 0 0 "[ . 1 . 2]" 1
876 1 19 VAL MG1 1 36 TYR QE . . 3.910 2.440 1.950 3.200 . 0 0 "[ . 1 . 2]" 1
877 1 63 THR H 1 63 THR MG . . 3.800 2.783 2.572 3.044 . 0 0 "[ . 1 . 2]" 1
878 1 39 PHE QE 1 63 THR MG . . 3.540 2.819 2.184 3.541 0.001 20 0 "[ . 1 . 2]" 1
879 1 49 GLY HA2 1 63 THR MG . . 3.280 2.103 1.934 2.311 . 0 0 "[ . 1 . 2]" 1
880 1 49 GLY HA3 1 63 THR MG . . 3.750 1.978 1.824 2.217 . 0 0 "[ . 1 . 2]" 1
881 1 52 VAL MG2 1 78 THR MG . . 4.090 3.775 3.588 3.907 . 0 0 "[ . 1 . 2]" 1
882 1 53 THR MG 1 58 THR MG . . 2.400 2.201 1.936 2.370 . 0 0 "[ . 1 . 2]" 1
883 1 29 VAL H 1 29 VAL QG . . 3.240 2.097 1.749 2.586 . 0 0 "[ . 1 . 2]" 1
884 1 29 VAL QG 1 30 LEU H . . 4.010 2.082 1.765 2.955 . 0 0 "[ . 1 . 2]" 1
885 1 25 TYR QD 1 29 VAL QG . . 3.570 2.865 2.682 3.132 . 0 0 "[ . 1 . 2]" 1
886 1 25 TYR HA 1 29 VAL QG . . 3.290 2.970 2.776 3.260 . 0 0 "[ . 1 . 2]" 1
887 1 29 VAL HA 1 29 VAL QG . . 3.080 2.284 2.052 2.556 . 0 0 "[ . 1 . 2]" 1
888 1 28 ARG HD2 1 29 VAL QG . . 5.380 4.627 4.409 4.951 . 0 0 "[ . 1 . 2]" 1
889 1 28 ARG QB 1 29 VAL QG . . 3.260 2.839 2.633 3.083 . 0 0 "[ . 1 . 2]" 1
890 1 28 ARG HG3 1 29 VAL QG . . 3.500 3.336 3.137 3.523 0.023 17 0 "[ . 1 . 2]" 1
891 1 28 ARG HG2 1 29 VAL QG . . 3.420 2.262 2.075 2.444 . 0 0 "[ . 1 . 2]" 1
892 1 52 VAL MG1 1 53 THR H . . 3.720 3.269 2.968 3.451 . 0 0 "[ . 1 . 2]" 1
893 1 52 VAL H 1 52 VAL MG1 . . 4.690 3.688 3.651 3.738 . 0 0 "[ . 1 . 2]" 1
894 1 52 VAL HA 1 52 VAL MG1 . . 3.340 2.549 2.506 2.586 . 0 0 "[ . 1 . 2]" 1
895 1 52 VAL MG1 1 59 TYR HB3 . . 4.090 4.042 3.805 4.289 0.199 5 0 "[ . 1 . 2]" 1
896 1 34 PRO HB3 1 52 VAL MG1 . . 3.430 3.123 2.479 3.436 0.006 17 0 "[ . 1 . 2]" 1
897 1 34 PRO HB2 1 52 VAL MG1 . . 3.440 2.519 1.966 2.881 . 0 0 "[ . 1 . 2]" 1
898 1 52 VAL MG1 1 54 ILE HG13 . . 3.090 2.521 2.418 2.639 . 0 0 "[ . 1 . 2]" 1
899 1 52 VAL MG1 1 78 THR MG . . 2.960 2.099 1.951 2.221 . 0 0 "[ . 1 . 2]" 1
900 1 22 LEU MD2 1 52 VAL MG1 . . 3.300 3.297 3.188 3.314 0.014 9 0 "[ . 1 . 2]" 1
901 1 52 VAL MG1 1 78 THR HG1 . . 4.200 2.889 2.674 3.188 . 0 0 "[ . 1 . 2]" 1
902 1 58 THR HA 1 58 THR MG . . 2.920 2.297 2.141 2.385 . 0 0 "[ . 1 . 2]" 1
903 1 58 THR MG 1 59 TYR H . . 3.570 2.520 2.279 3.036 . 0 0 "[ . 1 . 2]" 1
904 1 53 THR HA 1 58 THR MG . . 4.250 3.632 3.461 3.990 . 0 0 "[ . 1 . 2]" 1
905 1 32 VAL QG 1 33 ARG H . . 3.810 3.372 2.963 3.446 . 0 0 "[ . 1 . 2]" 1
906 1 30 LEU HB3 1 32 VAL QG . . 3.410 2.077 1.781 2.399 . 0 0 "[ . 1 . 2]" 1
907 1 46 GLU HA 1 47 PRO HD3 . . 3.160 2.248 2.239 2.250 . 0 0 "[ . 1 . 2]" 1
908 1 57 VAL MG2 1 58 THR H . . 3.920 3.916 3.848 3.967 0.047 20 0 "[ . 1 . 2]" 1
909 1 57 VAL H 1 57 VAL MG2 . . 3.320 2.534 2.279 2.850 . 0 0 "[ . 1 . 2]" 1
910 1 57 VAL MG2 1 59 TYR QE . . 4.200 3.898 3.625 4.106 . 0 0 "[ . 1 . 2]" 1
911 1 57 VAL HA 1 57 VAL MG2 . . 3.060 2.179 2.139 2.253 . 0 0 "[ . 1 . 2]" 1
912 1 53 THR MG 1 58 THR HB . . 4.150 4.000 3.772 4.157 0.007 20 0 "[ . 1 . 2]" 1
913 1 37 ASN H 1 53 THR MG . . 3.500 3.443 3.255 3.505 0.005 7 0 "[ . 1 . 2]" 1
914 1 37 ASN HD22 1 53 THR MG . . 3.590 3.276 2.986 3.523 . 0 0 "[ . 1 . 2]" 1
915 1 37 ASN HD21 1 53 THR MG . . 3.940 2.499 1.949 3.244 . 0 0 "[ . 1 . 2]" 1
916 1 53 THR HA 1 53 THR MG . . 3.280 2.207 2.175 2.316 . 0 0 "[ . 1 . 2]" 1
917 1 53 THR MG 1 58 THR HA . . 3.090 2.219 1.982 2.587 . 0 0 "[ . 1 . 2]" 1
918 1 53 THR H 1 53 THR MG . . 3.870 2.883 2.662 3.120 . 0 0 "[ . 1 . 2]" 1
919 1 35 VAL H 1 35 VAL MG2 . . 3.730 2.911 2.695 3.158 . 0 0 "[ . 1 . 2]" 1
920 1 19 VAL MG2 1 20 CYS HA . . 3.430 3.277 3.014 3.430 . 0 0 "[ . 1 . 2]" 1
921 1 35 VAL MG1 1 36 TYR H . . 3.660 2.565 2.367 2.809 . 0 0 "[ . 1 . 2]" 1
922 1 35 VAL MG1 1 37 ASN HD22 . . 4.400 2.820 2.114 3.859 . 0 0 "[ . 1 . 2]" 1
923 1 35 VAL MG1 1 37 ASN HD21 . . 4.050 2.246 1.915 3.317 . 0 0 "[ . 1 . 2]" 1
924 1 35 VAL HA 1 35 VAL MG1 . . 3.190 2.593 2.561 2.635 . 0 0 "[ . 1 . 2]" 1
925 1 19 VAL MG2 1 20 CYS H . . 3.800 2.071 1.835 2.272 . 0 0 "[ . 1 . 2]" 1
926 1 19 VAL MG2 1 71 LYS HE2 . . 3.390 2.921 2.383 3.333 . 0 0 "[ . 1 . 2]" 1
927 1 19 VAL MG2 1 75 ALA MB . . 4.130 4.085 3.945 4.135 0.005 20 0 "[ . 1 . 2]" 1
928 1 19 VAL H 1 19 VAL MG2 . . 3.830 2.125 1.989 2.448 . 0 0 "[ . 1 . 2]" 1
929 1 19 VAL MG2 1 36 TYR QE . . 4.220 4.126 3.910 4.227 0.007 18 0 "[ . 1 . 2]" 1
930 1 57 VAL MG1 1 58 THR H . . 3.600 2.724 2.520 2.997 . 0 0 "[ . 1 . 2]" 1
931 1 10 VAL HA 1 10 VAL MG2 . . 3.520 2.409 2.206 3.209 . 0 0 "[ . 1 . 2]" 1
932 1 31 LYS H 1 32 VAL QG . . 4.170 3.425 3.343 3.598 . 0 0 "[ . 1 . 2]" 1
933 1 26 MET HB3 1 32 VAL QG . . 3.920 3.331 2.965 3.619 . 0 0 "[ . 1 . 2]" 1
934 1 26 MET ME 1 32 VAL QG . . 3.160 1.829 1.661 1.914 . 0 0 "[ . 1 . 2]" 1
935 1 44 PRO HD3 1 45 SER H . . 4.280 3.698 3.656 3.784 . 0 0 "[ . 1 . 2]" 1
936 1 38 PHE HA 1 50 ALA HA . . 2.740 2.087 1.997 2.264 . 0 0 "[ . 1 . 2]" 1
937 1 43 ASN HA 1 44 PRO HD3 . . 3.690 1.985 1.970 2.012 . 0 0 "[ . 1 . 2]" 1
938 1 61 SER H 1 77 ALA MB . . 3.560 2.775 2.424 3.089 . 0 0 "[ . 1 . 2]" 1
939 1 77 ALA MB 1 78 THR H . . 3.640 2.319 2.067 2.547 . 0 0 "[ . 1 . 2]" 1
940 1 77 ALA MB 1 78 THR HG1 . . 4.740 3.367 3.162 3.602 . 0 0 "[ . 1 . 2]" 1
941 1 77 ALA H 1 77 ALA MB . . 3.050 2.041 1.936 2.177 . 0 0 "[ . 1 . 2]" 1
942 1 60 GLY H 1 77 ALA MB . . 3.870 3.879 3.807 3.930 0.060 15 0 "[ . 1 . 2]" 1
943 1 60 GLY HA2 1 77 ALA MB . . 2.740 2.132 1.960 2.507 . 0 0 "[ . 1 . 2]" 1
944 1 60 GLY HA3 1 77 ALA MB . . 2.970 1.939 1.896 1.970 . 0 0 "[ . 1 . 2]" 1
945 1 77 ALA MB 1 80 GLU QB . . 4.100 4.048 3.926 4.106 0.006 16 0 "[ . 1 . 2]" 1
946 1 77 ALA MB 1 81 ILE MD . . 4.310 3.302 2.990 3.628 . 0 0 "[ . 1 . 2]" 1
947 1 77 ALA MB 1 78 THR HA . . 4.150 3.696 3.596 3.824 . 0 0 "[ . 1 . 2]" 1
948 1 83 ILE HA 1 84 PRO HD2 . . 3.080 2.227 2.199 2.235 . 0 0 "[ . 1 . 2]" 1
949 1 83 ILE MG 1 84 PRO HD3 . . 4.410 3.461 3.334 3.605 . 0 0 "[ . 1 . 2]" 1
950 1 83 ILE HA 1 84 PRO HD3 . . 3.140 2.002 1.991 2.051 . 0 0 "[ . 1 . 2]" 1
951 1 83 ILE H 1 84 PRO HD3 . . 4.330 4.297 4.159 4.326 . 0 0 "[ . 1 . 2]" 1
952 1 26 MET HB3 1 34 PRO QD . . 3.800 3.090 2.920 3.294 . 0 0 "[ . 1 . 2]" 1
953 1 52 VAL HB 1 74 ALA MB . . 4.390 3.484 3.339 3.653 . 0 0 "[ . 1 . 2]" 1
954 1 62 GLY H 1 74 ALA MB . . 3.610 3.253 3.009 3.592 . 0 0 "[ . 1 . 2]" 1
955 1 74 ALA MB 1 75 ALA H . . 3.380 2.454 2.355 2.588 . 0 0 "[ . 1 . 2]" 1
956 1 74 ALA H 1 74 ALA MB . . 3.140 2.068 2.026 2.113 . 0 0 "[ . 1 . 2]" 1
957 1 52 VAL H 1 74 ALA MB . . 3.880 2.983 2.817 3.184 . 0 0 "[ . 1 . 2]" 1
958 1 36 TYR QD 1 74 ALA MB . . 4.400 3.573 3.252 3.963 . 0 0 "[ . 1 . 2]" 1
959 1 36 TYR QE 1 74 ALA MB . . 4.050 3.751 3.371 4.053 0.003 20 0 "[ . 1 . 2]" 1
960 1 61 SER HA 1 74 ALA MB . . 3.470 2.843 2.425 3.162 . 0 0 "[ . 1 . 2]" 1
961 1 51 SER HA 1 74 ALA MB . . 3.510 2.141 1.957 2.331 . 0 0 "[ . 1 . 2]" 1
962 1 74 ALA MB 1 75 ALA MB . . 3.440 3.456 3.440 3.552 0.112 18 0 "[ . 1 . 2]" 1
963 1 83 ILE MG 1 86 PHE H . . 3.920 3.141 2.020 3.565 . 0 0 "[ . 1 . 2]" 1
964 1 83 ILE MG 1 86 PHE QD . . 3.900 2.542 1.991 3.599 . 0 0 "[ . 1 . 2]" 1
965 1 25 TYR QE 1 83 ILE MG . . 4.790 4.079 3.407 4.610 . 0 0 "[ . 1 . 2]" 1
966 1 83 ILE MG 1 84 PRO HD2 . . 3.870 2.443 2.254 2.657 . 0 0 "[ . 1 . 2]" 1
967 1 83 ILE MG 1 86 PHE HB2 . . 3.860 2.515 2.205 2.889 . 0 0 "[ . 1 . 2]" 1
968 1 83 ILE MG 1 85 ASP H . . 3.690 2.359 2.071 2.867 . 0 0 "[ . 1 . 2]" 1
969 1 83 ILE HA 1 83 ILE MG . . 3.300 2.259 2.169 2.333 . 0 0 "[ . 1 . 2]" 1
970 1 83 ILE MG 1 86 PHE HB3 . . 4.230 3.854 3.559 4.151 . 0 0 "[ . 1 . 2]" 1
971 1 26 MET ME 1 34 PRO QD . . 3.350 2.830 2.605 3.142 . 0 0 "[ . 1 . 2]" 1
972 1 26 MET HB3 1 26 MET ME . . 3.040 1.897 1.885 1.948 . 0 0 "[ . 1 . 2]" 1
973 1 26 MET HB2 1 26 MET ME . . 3.730 3.244 3.220 3.286 . 0 0 "[ . 1 . 2]" 1
974 1 26 MET ME 1 30 LEU MD1 . . 2.990 1.790 1.682 1.893 . 0 0 "[ . 1 . 2]" 1
975 1 26 MET ME 1 54 ILE HG12 . . 2.900 2.419 1.985 2.900 . 5 0 "[ . 1 . 2]" 1
976 1 26 MET ME 1 54 ILE MD . . 3.390 2.560 1.934 2.972 . 0 0 "[ . 1 . 2]" 1
977 1 26 MET ME 1 27 GLN H . . 4.400 4.123 4.025 4.216 . 0 0 "[ . 1 . 2]" 1
978 1 26 MET ME 1 32 VAL H . . 4.420 3.270 3.055 3.364 . 0 0 "[ . 1 . 2]" 1
979 1 25 TYR QD 1 26 MET ME . . 4.660 4.663 4.585 4.694 0.034 19 0 "[ . 1 . 2]" 1
980 1 75 ALA H 1 75 ALA MB . . 3.080 2.007 1.972 2.055 . 0 0 "[ . 1 . 2]" 1
981 1 75 ALA MB 1 76 ARG H . . 3.150 2.464 2.277 2.596 . 0 0 "[ . 1 . 2]" 1
982 1 72 ASN HA 1 75 ALA MB . . 3.370 3.079 2.719 3.260 . 0 0 "[ . 1 . 2]" 1
983 1 18 GLU HG3 1 75 ALA MB . . 3.500 3.302 2.966 3.498 . 0 0 "[ . 1 . 2]" 1
984 1 19 VAL HA 1 75 ALA MB . . 3.410 2.063 1.890 2.149 . 0 0 "[ . 1 . 2]" 1
985 1 22 LEU HB3 1 75 ALA MB . . 3.780 2.379 2.147 2.547 . 0 0 "[ . 1 . 2]" 1
986 1 22 LEU HB2 1 75 ALA MB . . 3.410 2.756 2.540 2.947 . 0 0 "[ . 1 . 2]" 1
987 1 19 VAL MG1 1 75 ALA MB . . 2.980 2.084 1.937 2.218 . 0 0 "[ . 1 . 2]" 1
988 1 81 ILE MG 1 82 LEU H . . 4.040 3.102 2.991 3.297 . 0 0 "[ . 1 . 2]" 1
989 1 59 TYR QD 1 81 ILE MG . . 3.220 2.043 1.897 2.307 . 0 0 "[ . 1 . 2]" 1
990 1 59 TYR QE 1 81 ILE MG . . 3.690 2.705 2.102 3.187 . 0 0 "[ . 1 . 2]" 1
991 1 81 ILE MG 1 82 LEU HA . . 3.870 3.362 3.299 3.476 . 0 0 "[ . 1 . 2]" 1
992 1 81 ILE HG12 1 81 ILE MG . . 3.050 2.454 2.393 2.529 . 0 0 "[ . 1 . 2]" 1
993 1 81 ILE MG 1 82 LEU HG . . 4.710 2.727 2.573 2.878 . 0 0 "[ . 1 . 2]" 1
994 1 81 ILE MG 1 82 LEU MD1 . . 3.850 3.845 3.767 3.880 0.030 15 0 "[ . 1 . 2]" 1
995 1 21 ILE H 1 21 ILE MG . . 4.050 3.697 3.658 3.715 . 0 0 "[ . 1 . 2]" 1
996 1 18 GLU HA 1 21 ILE MG . . 3.520 3.509 3.467 3.539 0.019 9 0 "[ . 1 . 2]" 1
997 1 21 ILE HA 1 21 ILE MG . . 3.280 2.525 2.492 2.579 . 0 0 "[ . 1 . 2]" 1
998 1 21 ILE MG 1 79 LEU MD1 . . 3.150 2.014 1.909 2.436 . 0 0 "[ . 1 . 2]" 1
999 1 47 PRO HD2 1 65 SER HA . . 3.410 3.113 2.503 3.410 . 20 0 "[ . 1 . 2]" 1
1000 1 47 PRO HD2 1 48 PHE QD . . 3.900 2.000 1.986 2.127 . 0 0 "[ . 1 . 2]" 1
1001 1 46 GLU HA 1 47 PRO HD2 . . 3.170 2.201 2.200 2.201 . 0 0 "[ . 1 . 2]" 1
1002 1 46 GLU H 1 47 PRO HD3 . . 3.690 3.574 3.490 3.659 . 0 0 "[ . 1 . 2]" 1
1003 1 47 PRO HD3 1 48 PHE H . . 3.980 3.671 3.656 3.708 . 0 0 "[ . 1 . 2]" 1
1004 1 47 PRO HD3 1 48 PHE QD . . 3.700 3.722 3.709 3.756 0.056 3 0 "[ . 1 . 2]" 1
1005 1 11 ILE H 1 11 ILE MG . . 4.500 3.046 1.910 3.843 . 0 0 "[ . 1 . 2]" 1
1006 1 70 ALA MB 1 71 LYS H . . 3.480 2.281 2.257 2.320 . 0 0 "[ . 1 . 2]" 1
1007 1 70 ALA H 1 70 ALA MB . . 3.140 2.079 2.062 2.096 . 0 0 "[ . 1 . 2]" 1
1008 1 49 GLY HA2 1 70 ALA MB . . 3.840 2.466 2.360 2.579 . 0 0 "[ . 1 . 2]" 1
1009 1 64 ALA MB 1 70 ALA MB . . 3.340 2.846 2.679 3.084 . 0 0 "[ . 1 . 2]" 1
1010 1 38 PHE QE 1 70 ALA MB . . 4.540 4.382 4.104 4.544 0.004 19 0 "[ . 1 . 2]" 1
1011 1 54 ILE H 1 54 ILE MG . . 4.740 3.679 3.627 3.721 . 0 0 "[ . 1 . 2]" 1
1012 1 54 ILE MG 1 55 ASP H . . 4.320 3.115 2.884 3.300 . 0 0 "[ . 1 . 2]" 1
1013 1 70 ALA MB 1 71 LYS HB2 . . 3.600 3.710 3.696 3.746 0.146 18 0 "[ . 1 . 2]" 1
1014 1 26 MET HA 1 30 LEU HB3 . . 4.730 4.547 4.265 4.742 0.012 4 0 "[ . 1 . 2]" 1
1015 1 30 LEU HB2 1 31 LYS H . . 4.320 2.712 2.526 3.384 . 0 0 "[ . 1 . 2]" 1
1016 1 28 ARG HG3 1 29 VAL HA . . 4.530 3.942 3.701 4.029 . 0 0 "[ . 1 . 2]" 1
1017 1 28 ARG H 1 29 VAL QG . . 5.070 3.532 3.324 3.960 . 0 0 "[ . 1 . 2]" 1
1018 1 28 ARG HA 1 28 ARG HD2 . . 4.600 4.104 3.685 4.460 . 0 0 "[ . 1 . 2]" 1
1019 1 28 ARG HA 1 28 ARG HD3 . . 4.680 3.995 3.710 4.470 . 0 0 "[ . 1 . 2]" 1
1020 1 27 GLN QG 1 28 ARG H . . 3.980 3.742 3.702 3.843 . 0 0 "[ . 1 . 2]" 1
1021 1 26 MET HA 1 29 VAL QG . . 4.380 2.889 2.351 4.046 . 0 0 "[ . 1 . 2]" 1
1022 1 26 MET HG2 1 27 GLN H . . 5.020 4.802 4.772 4.841 . 0 0 "[ . 1 . 2]" 1
1023 1 26 MET HG3 1 82 LEU MD1 . . 4.570 3.393 3.004 3.760 . 0 0 "[ . 1 . 2]" 1
1024 1 22 LEU MD1 1 26 MET HG3 . . 5.430 2.369 2.161 2.707 . 0 0 "[ . 1 . 2]" 1
1025 1 26 MET HG3 1 27 GLN H . . 5.030 4.726 4.651 4.872 . 0 0 "[ . 1 . 2]" 1
1026 1 25 TYR HA 1 29 VAL H . . 4.990 3.690 3.529 3.933 . 0 0 "[ . 1 . 2]" 1
1027 1 25 TYR HA 1 28 ARG H . . 4.910 3.454 3.375 3.509 . 0 0 "[ . 1 . 2]" 1
1028 1 23 HIS HA 1 26 MET HB3 . . 4.640 3.499 3.274 3.791 . 0 0 "[ . 1 . 2]" 1
1029 1 23 HIS HA 1 34 PRO HG2 . . 4.250 2.990 2.747 3.350 . 0 0 "[ . 1 . 2]" 1
1030 1 23 HIS HA 1 23 HIS HD2 . . 4.820 3.214 2.565 4.026 . 0 0 "[ . 1 . 2]" 1
1031 1 23 HIS HA 1 26 MET H . . 5.120 3.543 3.393 3.724 . 0 0 "[ . 1 . 2]" 1
1032 1 23 HIS H 1 23 HIS HB2 . . 3.720 2.310 2.201 2.394 . 0 0 "[ . 1 . 2]" 1
1033 1 23 HIS H 1 23 HIS HB3 . . 3.680 2.611 2.519 2.747 . 0 0 "[ . 1 . 2]" 1
1034 1 23 HIS HB3 1 24 GLU H . . 3.730 2.376 2.259 2.580 . 0 0 "[ . 1 . 2]" 1
1035 1 23 HIS HB2 1 24 GLU H . . 3.700 3.690 3.525 3.744 0.044 17 0 "[ . 1 . 2]" 1
1036 1 22 LEU HA 1 25 TYR HB2 . . 4.440 4.385 4.208 4.445 0.005 20 0 "[ . 1 . 2]" 1
1037 1 22 LEU HB2 1 79 LEU MD1 . . 4.570 2.731 2.454 3.023 . 0 0 "[ . 1 . 2]" 1
1038 1 22 LEU HB2 1 23 HIS H . . 5.210 4.027 3.866 4.147 . 0 0 "[ . 1 . 2]" 1
1039 1 22 LEU H 1 22 LEU HG . . 4.640 4.542 4.526 4.550 . 0 0 "[ . 1 . 2]" 1
1040 1 22 LEU MD1 1 34 PRO HB3 . . 3.960 3.166 2.627 3.546 . 0 0 "[ . 1 . 2]" 1
1041 1 19 VAL HA 1 22 LEU MD1 . . 5.100 3.766 3.536 4.175 . 0 0 "[ . 1 . 2]" 1
1042 1 22 LEU MD2 1 26 MET H . . 5.220 3.568 3.413 3.925 . 0 0 "[ . 1 . 2]" 1
1043 1 21 ILE HA 1 24 GLU H . . 4.790 3.336 3.137 3.526 . 0 0 "[ . 1 . 2]" 1
1044 1 20 CYS HA 1 23 HIS H . . 4.430 3.478 3.254 3.604 . 0 0 "[ . 1 . 2]" 1
1045 1 20 CYS HA 1 24 GLU H . . 4.540 4.055 3.836 4.236 . 0 0 "[ . 1 . 2]" 1
1046 1 20 CYS HA 1 22 LEU H . . 5.410 4.860 4.538 5.066 . 0 0 "[ . 1 . 2]" 1
1047 1 19 VAL MG2 1 20 CYS QB . . 4.770 3.179 2.851 3.548 . 0 0 "[ . 1 . 2]" 1
1048 1 16 LYS QG 1 20 CYS QB . . 4.950 3.536 2.317 4.475 . 0 0 "[ . 1 . 2]" 1
1049 1 16 LYS HA 1 20 CYS QB . . 4.670 3.036 2.589 3.694 . 0 0 "[ . 1 . 2]" 1
1050 1 19 VAL HA 1 22 LEU H . . 4.660 4.041 3.886 4.242 . 0 0 "[ . 1 . 2]" 1
1051 1 18 GLU HB2 1 79 LEU MD1 . . 4.710 4.576 4.273 4.703 . 0 0 "[ . 1 . 2]" 1
1052 1 18 GLU H 1 18 GLU HG2 . . 4.690 4.386 4.123 4.534 . 0 0 "[ . 1 . 2]" 1
1053 1 18 GLU H 1 18 GLU HG3 . . 4.390 4.323 4.131 4.397 0.007 16 0 "[ . 1 . 2]" 1
1054 1 17 SER HB2 1 19 VAL H . . 4.590 3.933 2.493 4.908 0.318 2 0 "[ . 1 . 2]" 1
1055 1 17 SER HB2 1 18 GLU H . . 4.400 3.689 2.622 4.151 . 0 0 "[ . 1 . 2]" 1
1056 1 17 SER HB3 1 19 VAL H . . 4.920 2.988 2.243 3.921 . 0 0 "[ . 1 . 2]" 1
1057 1 17 SER HB3 1 18 GLU H . . 4.470 2.506 2.081 3.082 . 0 0 "[ . 1 . 2]" 1
1058 1 26 MET ME 1 32 VAL HA . . 4.620 4.619 4.439 4.656 0.036 8 0 "[ . 1 . 2]" 1
1059 1 33 ARG H 1 33 ARG QD . . 4.960 4.182 2.308 4.843 . 0 0 "[ . 1 . 2]" 1
1060 1 34 PRO HA 1 35 VAL MG2 . . 4.970 3.885 3.677 4.090 . 0 0 "[ . 1 . 2]" 1
1061 1 34 PRO HG3 1 54 ILE HG12 . . 5.240 4.361 4.117 5.049 . 0 0 "[ . 1 . 2]" 1
1062 1 33 ARG H 1 34 PRO QD . . 4.390 4.109 4.043 4.236 . 0 0 "[ . 1 . 2]" 1
1063 1 36 TYR HB2 1 37 ASN H . . 4.750 4.541 4.424 4.600 . 0 0 "[ . 1 . 2]" 1
1064 1 41 CYS HB2 1 43 ASN H . . 4.900 4.571 4.234 4.879 . 0 0 "[ . 1 . 2]" 1
1065 1 44 PRO HA 1 46 GLU H . . 4.660 4.538 4.210 4.665 0.005 15 0 "[ . 1 . 2]" 1
1066 1 22 LEU MD1 1 34 PRO HG2 . . 5.020 2.676 2.314 3.043 . 0 0 "[ . 1 . 2]" 1
1067 1 46 GLU HA 1 48 PHE H . . 4.530 3.311 3.208 3.480 . 0 0 "[ . 1 . 2]" 1
1068 1 47 PRO HB2 1 48 PHE QE . . 4.560 4.465 3.967 4.566 0.006 3 0 "[ . 1 . 2]" 1
1069 1 41 CYS H 1 47 PRO HB2 . . 4.950 4.290 3.996 4.666 . 0 0 "[ . 1 . 2]" 1
1070 1 48 PHE HB2 1 64 ALA H . . 4.660 2.959 2.807 3.224 . 0 0 "[ . 1 . 2]" 1
1071 1 50 ALA MB 1 52 VAL MG2 . . 5.130 4.258 4.146 4.382 . 0 0 "[ . 1 . 2]" 1
1072 1 50 ALA MB 1 51 SER HA . . 4.760 3.910 3.835 3.987 . 0 0 "[ . 1 . 2]" 1
1073 1 51 SER HA 1 52 VAL HB . . 4.860 4.414 4.360 4.490 . 0 0 "[ . 1 . 2]" 1
1074 1 52 VAL MG2 1 78 THR H . . 4.620 3.973 3.813 4.175 . 0 0 "[ . 1 . 2]" 1
1075 1 52 VAL MG2 1 60 GLY H . . 4.790 4.238 4.000 4.454 . 0 0 "[ . 1 . 2]" 1
1076 1 54 ILE HG13 1 59 TYR QE . . 5.090 4.149 3.925 4.490 . 0 0 "[ . 1 . 2]" 1
1077 1 34 PRO HA 1 54 ILE HG13 . . 4.660 4.498 3.868 4.665 0.005 13 0 "[ . 1 . 2]" 1
1078 1 54 ILE HG12 1 59 TYR QD . . 4.870 4.505 4.299 4.868 . 0 0 "[ . 1 . 2]" 1
1079 1 34 PRO HA 1 54 ILE MG . . 4.250 4.188 4.023 4.249 . 0 0 "[ . 1 . 2]" 1
1080 1 54 ILE H 1 54 ILE MD . . 5.360 3.812 3.704 3.958 . 0 0 "[ . 1 . 2]" 1
1081 1 26 MET HG2 1 54 ILE MD . . 4.920 3.347 3.115 3.604 . 0 0 "[ . 1 . 2]" 1
1082 1 55 ASP HB3 1 57 VAL MG2 . . 4.850 3.684 3.212 4.901 0.051 19 0 "[ . 1 . 2]" 1
1083 1 55 ASP HB3 1 56 GLY H . . 4.910 3.907 3.802 4.479 . 0 0 "[ . 1 . 2]" 1
1084 1 55 ASP HB2 1 57 VAL H . . 5.090 4.688 4.521 4.960 . 0 0 "[ . 1 . 2]" 1
1085 1 55 ASP HB2 1 56 GLY H . . 5.260 4.486 4.421 4.654 . 0 0 "[ . 1 . 2]" 1
1086 1 57 VAL MG1 1 58 THR HB . . 4.530 4.280 4.141 4.475 . 0 0 "[ . 1 . 2]" 1
1087 1 58 THR HB 1 59 TYR H . . 4.890 3.996 3.710 4.280 . 0 0 "[ . 1 . 2]" 1
1088 1 52 VAL MG1 1 59 TYR HB2 . . 4.880 3.033 2.639 3.331 . 0 0 "[ . 1 . 2]" 1
1089 1 62 GLY H 1 63 THR MG . . 5.180 3.905 3.736 4.158 . 0 0 "[ . 1 . 2]" 1
1090 1 62 GLY HA2 1 63 THR MG . . 4.440 3.137 2.878 3.393 . 0 0 "[ . 1 . 2]" 1
1091 1 62 GLY HA3 1 63 THR MG . . 4.840 4.070 3.894 4.251 . 0 0 "[ . 1 . 2]" 1
1092 1 71 LYS HA 1 75 ALA H . . 4.730 3.961 3.712 4.469 . 0 0 "[ . 1 . 2]" 1
1093 1 69 LEU MD2 1 72 ASN HB2 . . 5.000 3.883 3.448 4.285 . 0 0 "[ . 1 . 2]" 1
1094 1 66 SER HB3 1 69 LEU MD2 . . 4.820 2.501 2.216 2.829 . 0 0 "[ . 1 . 2]" 1
1095 1 69 LEU MD2 1 70 ALA H . . 5.250 4.100 4.082 4.118 . 0 0 "[ . 1 . 2]" 1
1096 1 69 LEU MD1 1 72 ASN HB3 . . 4.760 4.145 3.755 4.679 . 0 0 "[ . 1 . 2]" 1
1097 1 69 LEU MD1 1 73 LYS HE3 . . 4.680 4.470 4.069 5.289 0.609 4 1 "[ +. 1 . 2]" 1
1098 1 70 ALA HA 1 72 ASN H . . 4.750 4.480 4.177 4.642 . 0 0 "[ . 1 . 2]" 1
1099 1 70 ALA HA 1 74 ALA H . . 4.810 3.832 3.655 4.060 . 0 0 "[ . 1 . 2]" 1
1100 1 64 ALA H 1 70 ALA HA . . 4.830 4.118 3.787 4.500 . 0 0 "[ . 1 . 2]" 1
1101 1 68 LYS HA 1 71 LYS QD . . 4.830 3.717 3.590 3.859 . 0 0 "[ . 1 . 2]" 1
1102 1 69 LEU MD1 1 73 LYS QD . . 5.170 3.512 2.972 3.991 . 0 0 "[ . 1 . 2]" 1
1103 1 63 THR H 1 73 LYS HE2 . . 5.500 4.607 4.020 5.760 0.260 4 0 "[ . 1 . 2]" 1
1104 1 62 GLY H 1 74 ALA HA . . 5.060 3.389 3.181 3.630 . 0 0 "[ . 1 . 2]" 1
1105 1 76 ARG H 1 76 ARG HG2 . . 4.840 4.281 2.176 4.491 . 0 0 "[ . 1 . 2]" 1
1106 1 18 GLU HG2 1 76 ARG HG3 . . 4.560 3.378 3.054 3.798 . 0 0 "[ . 1 . 2]" 1
1107 1 18 GLU HG2 1 76 ARG HG2 . . 4.640 4.227 1.976 4.605 . 0 0 "[ . 1 . 2]" 1
1108 1 77 ALA MB 1 81 ILE HG13 . . 4.380 3.768 3.542 4.048 . 0 0 "[ . 1 . 2]" 1
1109 1 79 LEU MD1 1 80 GLU H . . 5.230 4.451 4.335 4.777 . 0 0 "[ . 1 . 2]" 1
1110 1 22 LEU HB3 1 79 LEU MD2 . . 5.050 4.230 3.931 4.613 . 0 0 "[ . 1 . 2]" 1
1111 1 25 TYR HB3 1 79 LEU MD2 . . 4.810 3.056 2.737 3.370 . 0 0 "[ . 1 . 2]" 1
1112 1 25 TYR HB2 1 79 LEU MD2 . . 5.180 3.675 3.291 3.876 . 0 0 "[ . 1 . 2]" 1
1113 1 79 LEU MD2 1 86 PHE HE1 . . 4.480 4.235 3.518 5.448 0.968 16 1 "[ . 1 .+ 2]" 1
1114 1 79 LEU MD2 1 86 PHE QD . . 4.670 4.278 4.020 4.586 . 0 0 "[ . 1 . 2]" 1
1115 1 79 LEU MD2 1 80 GLU H . . 4.970 4.551 4.467 4.676 . 0 0 "[ . 1 . 2]" 1
1116 1 80 GLU HA 1 83 ILE H . . 4.660 3.782 3.257 4.061 . 0 0 "[ . 1 . 2]" 1
1117 1 77 ALA MB 1 80 GLU HG3 . . 4.670 4.651 4.534 4.680 0.010 15 0 "[ . 1 . 2]" 1
1118 1 80 GLU HG2 1 86 PHE HB2 . . 4.990 4.168 3.714 4.610 . 0 0 "[ . 1 . 2]" 1
1119 1 80 GLU HG2 1 86 PHE HB3 . . 5.010 3.575 2.578 4.351 . 0 0 "[ . 1 . 2]" 1
1120 1 77 ALA HA 1 80 GLU HG2 . . 4.760 4.564 4.152 4.761 0.001 11 0 "[ . 1 . 2]" 1
1121 1 80 GLU HG2 1 86 PHE QD . . 4.290 3.440 2.114 4.137 . 0 0 "[ . 1 . 2]" 1
1122 1 81 ILE HB 1 82 LEU HG . . 4.460 3.153 3.033 3.313 . 0 0 "[ . 1 . 2]" 1
1123 1 82 LEU MD1 1 83 ILE H . . 4.930 3.565 3.249 4.090 . 0 0 "[ . 1 . 2]" 1
1124 1 83 ILE MD 1 86 PHE HB2 . . 4.890 3.263 3.023 3.713 . 0 0 "[ . 1 . 2]" 1
1125 1 38 PHE HZ 1 71 LYS HG3 . . 4.190 3.156 2.511 3.605 . 0 0 "[ . 1 . 2]" 1
1126 1 38 PHE HZ 1 71 LYS HE3 . . 4.230 3.722 3.087 4.227 . 0 0 "[ . 1 . 2]" 1
1127 1 19 VAL H 1 72 ASN HA . . 4.770 3.562 3.239 3.973 . 0 0 "[ . 1 . 2]" 1
1128 1 18 GLU HB2 1 72 ASN HB2 . . 4.830 4.958 4.391 5.821 0.991 8 6 "[ .* + 1 **- *]" 1
1129 1 18 GLU HG2 1 76 ARG HB3 . . 4.280 4.079 3.209 4.279 . 0 0 "[ . 1 . 2]" 1
1130 1 23 HIS HD2 1 24 GLU HA . . 5.140 3.596 2.925 4.276 . 0 0 "[ . 1 . 2]" 1
1131 1 26 MET H 1 26 MET ME . . 4.460 4.518 4.481 4.540 0.080 9 0 "[ . 1 . 2]" 1
1132 1 26 MET ME 1 54 ILE HA . . 4.180 3.616 3.485 3.809 . 0 0 "[ . 1 . 2]" 1
1133 1 26 MET ME 1 34 PRO HA . . 3.430 3.455 3.408 3.478 0.048 4 0 "[ . 1 . 2]" 1
1134 1 26 MET ME 1 33 ARG HA . . 4.070 3.988 3.810 4.082 0.012 19 0 "[ . 1 . 2]" 1
1135 1 36 TYR QD 1 71 LYS HE3 . . 4.110 2.936 2.399 3.361 . 0 0 "[ . 1 . 2]" 1
1136 1 38 PHE QE 1 71 LYS H . . 4.690 4.405 4.051 4.591 . 0 0 "[ . 1 . 2]" 1
1137 1 39 PHE QE 1 50 ALA HA . . 4.820 3.679 2.751 4.335 . 0 0 "[ . 1 . 2]" 1
1138 1 39 PHE QD 1 49 GLY HA3 . . 5.060 3.675 3.071 4.272 . 0 0 "[ . 1 . 2]" 1
1139 1 39 PHE QD 1 50 ALA HA . . 4.450 3.998 3.061 4.463 0.013 13 0 "[ . 1 . 2]" 1
1140 1 38 PHE HA 1 39 PHE QD . . 4.400 3.419 2.702 4.001 . 0 0 "[ . 1 . 2]" 1
1141 1 39 PHE QD 1 51 SER H . . 4.840 4.435 3.455 4.800 . 0 0 "[ . 1 . 2]" 1
1142 1 41 CYS HB3 1 47 PRO HB3 . . 4.690 4.437 4.131 4.689 . 0 0 "[ . 1 . 2]" 1
1143 1 46 GLU HA 1 47 PRO HG2 . . 4.590 4.397 4.394 4.398 . 0 0 "[ . 1 . 2]" 1
1144 1 48 PHE HB2 1 49 GLY H . . 4.910 4.383 3.347 4.538 . 0 0 "[ . 1 . 2]" 1
1145 1 48 PHE QE 1 66 SER HA . . 4.310 4.037 3.556 4.224 . 0 0 "[ . 1 . 2]" 1
1146 1 47 PRO HD2 1 48 PHE QE . . 4.690 3.248 2.810 3.547 . 0 0 "[ . 1 . 2]" 1
1147 1 52 VAL HB 1 59 TYR HB2 . . 4.590 3.624 3.365 3.888 . 0 0 "[ . 1 . 2]" 1
1148 1 53 THR HA 1 54 ILE HB . . 5.330 4.377 4.315 4.442 . 0 0 "[ . 1 . 2]" 1
1149 1 54 ILE HB 1 57 VAL HB . . 4.700 3.303 3.103 3.494 . 0 0 "[ . 1 . 2]" 1
1150 1 54 ILE H 1 57 VAL HB . . 4.300 3.547 3.282 3.687 . 0 0 "[ . 1 . 2]" 1
1151 1 89 GLN H 1 89 GLN QG . . 4.660 3.868 2.720 4.339 . 0 0 "[ . 1 . 2]" 1
1152 1 58 THR HA 1 59 TYR QD . . 5.120 3.440 3.046 3.775 . 0 0 "[ . 1 . 2]" 1
1153 1 57 VAL H 1 59 TYR QE . . 4.440 4.386 4.030 4.451 0.011 19 0 "[ . 1 . 2]" 1
1154 1 60 GLY HA3 1 78 THR HG1 . . 4.080 2.149 1.993 2.479 . 0 0 "[ . 1 . 2]" 1
1155 1 46 GLU HB2 1 63 THR HB . . 4.030 3.092 2.531 3.486 . 0 0 "[ . 1 . 2]" 1
1156 1 34 PRO HB2 1 36 TYR QE . . 4.520 3.470 2.841 4.465 . 0 0 "[ . 1 . 2]" 1
1157 1 68 LYS HB2 1 68 LYS HG2 . . 3.050 3.002 2.740 3.052 0.002 11 0 "[ . 1 . 2]" 1
1158 1 71 LYS HA 1 71 LYS HG2 . . 3.720 2.557 2.362 2.715 . 0 0 "[ . 1 . 2]" 1
1159 1 36 TYR QD 1 71 LYS HE2 . . 4.310 3.725 3.030 4.312 0.002 4 0 "[ . 1 . 2]" 1
1160 1 75 ALA MB 1 76 ARG HA . . 4.120 3.601 3.562 3.646 . 0 0 "[ . 1 . 2]" 1
1161 1 59 TYR QE 1 78 THR MG . . 4.780 4.387 3.905 4.684 . 0 0 "[ . 1 . 2]" 1
1162 1 78 THR HA 1 78 THR MG . . 2.980 2.441 2.338 2.559 . 0 0 "[ . 1 . 2]" 1
1163 1 25 TYR QE 1 82 LEU HB2 . . 4.940 3.585 2.932 4.132 . 0 0 "[ . 1 . 2]" 1
1164 1 82 LEU HB2 1 83 ILE HG13 . . 4.460 2.714 2.547 2.835 . 0 0 "[ . 1 . 2]" 1
1165 1 79 LEU MD2 1 83 ILE HG13 . . 4.140 2.576 2.256 2.862 . 0 0 "[ . 1 . 2]" 1
1166 1 83 ILE MD 1 86 PHE HA . . 4.850 3.581 3.210 4.270 . 0 0 "[ . 1 . 2]" 1
1167 1 86 PHE QD 1 87 VAL MG2 . . 4.420 3.343 2.077 5.103 0.683 11 2 "[ . 1+- . 2]" 1
1168 1 87 VAL HA 1 87 VAL MG2 . . 3.180 2.820 2.156 3.213 0.033 9 0 "[ . 1 . 2]" 1
1169 1 88 LYS HA 1 88 LYS HG2 . . 4.170 2.459 1.995 3.465 . 0 0 "[ . 1 . 2]" 1
1170 1 11 ILE HB 1 11 ILE MD . . 3.170 2.228 1.962 3.201 0.031 19 0 "[ . 1 . 2]" 1
1171 1 28 ARG QB 1 28 ARG HD3 . . 3.520 2.090 1.976 2.396 . 0 0 "[ . 1 . 2]" 1
1172 1 26 MET HB3 1 30 LEU HB2 . . 5.300 3.408 3.203 3.654 . 0 0 "[ . 1 . 2]" 1
1173 1 26 MET HG2 1 30 LEU MD2 . . 5.500 4.720 4.405 4.850 . 0 0 "[ . 1 . 2]" 1
1174 1 29 VAL H 1 30 LEU MD1 . . 5.310 5.129 4.995 5.265 . 0 0 "[ . 1 . 2]" 1
1175 1 32 VAL HB 1 55 ASP HB2 . . 4.900 4.305 3.892 5.297 0.397 19 0 "[ . 1 . 2]" 1
1176 1 26 MET HG3 1 34 PRO QD . . 5.480 4.907 4.496 5.284 . 0 0 "[ . 1 . 2]" 1
1177 1 36 TYR HB2 1 38 PHE QE . . 4.530 2.909 2.118 3.772 . 0 0 "[ . 1 . 2]" 1
1178 1 36 TYR HB3 1 38 PHE QE . . 4.570 2.829 2.284 3.406 . 0 0 "[ . 1 . 2]" 1
1179 1 38 PHE QD 1 70 ALA MB . . 4.590 4.101 3.847 4.367 . 0 0 "[ . 1 . 2]" 1
1180 1 44 PRO HD2 1 45 SER H . . 5.200 2.352 2.255 2.510 . 0 0 "[ . 1 . 2]" 1
1181 1 62 GLY HA2 1 73 LYS QB . . 4.260 4.241 4.104 4.271 0.011 15 0 "[ . 1 . 2]" 1
1182 1 52 VAL MG1 1 59 TYR QD . . 4.120 4.103 3.970 4.127 0.007 18 0 "[ . 1 . 2]" 1
1183 1 36 TYR QE 1 52 VAL MG1 . . 4.020 4.022 4.014 4.030 0.010 18 0 "[ . 1 . 2]" 1
1184 1 34 PRO HA 1 54 ILE HA . . 3.830 2.866 2.755 3.037 . 0 0 "[ . 1 . 2]" 1
1185 1 60 GLY HA2 1 78 THR HA . . 4.090 3.966 3.726 4.382 0.292 12 0 "[ . 1 . 2]" 1
1186 1 64 ALA MB 1 66 SER HB3 . . 4.890 4.311 4.064 4.521 . 0 0 "[ . 1 . 2]" 1
1187 1 67 LYS QG 1 70 ALA MB . . 4.320 3.406 3.230 3.602 . 0 0 "[ . 1 . 2]" 1
1188 1 38 PHE QD 1 71 LYS HG3 . . 5.110 4.248 3.961 4.410 . 0 0 "[ . 1 . 2]" 1
1189 1 36 TYR QE 1 71 LYS HG3 . . 5.130 3.764 3.563 4.678 . 0 0 "[ . 1 . 2]" 1
1190 1 38 PHE QE 1 71 LYS HB3 . . 4.640 4.585 4.387 4.642 0.002 20 0 "[ . 1 . 2]" 1
1191 1 67 LYS H 1 67 LYS QG . . 4.760 3.768 3.485 3.951 . 0 0 "[ . 1 . 2]" 1
1192 1 82 LEU HB2 1 83 ILE MG . . 4.990 4.976 4.903 5.021 0.031 15 0 "[ . 1 . 2]" 1
1193 1 83 ILE MG 1 85 ASP QB . . 5.500 3.565 2.733 4.323 . 0 0 "[ . 1 . 2]" 1
1194 1 83 ILE HB 1 86 PHE HA . . 4.060 3.796 3.613 4.024 . 0 0 "[ . 1 . 2]" 1
1195 1 88 LYS HA 1 88 LYS HG3 . . 3.230 2.808 2.268 3.337 0.107 14 0 "[ . 1 . 2]" 1
1196 1 88 LYS H 1 88 LYS HG3 . . 4.630 4.093 3.433 4.628 . 0 0 "[ . 1 . 2]" 1
1197 1 68 LYS H 1 68 LYS HG2 . . 4.850 3.946 2.820 4.604 . 0 0 "[ . 1 . 2]" 1
1198 1 68 LYS QE 1 68 LYS HG2 . . 3.680 2.544 1.975 3.384 . 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 6
_Distance_constraint_stats_list.Viol_count 107
_Distance_constraint_stats_list.Viol_total 359.007
_Distance_constraint_stats_list.Viol_max 0.306
_Distance_constraint_stats_list.Viol_rms 0.0975
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1496
_Distance_constraint_stats_list.Viol_average_violations_only 0.1678
_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 35 VAL 2.261 0.223 4 0 "[ . 1 . 2]"
1 37 ASN 5.707 0.218 11 0 "[ . 1 . 2]"
1 50 ALA 9.982 0.306 15 0 "[ . 1 . 2]"
1 51 SER 5.707 0.218 11 0 "[ . 1 . 2]"
1 53 THR 2.261 0.223 4 0 "[ . 1 . 2]"
1 62 GLY 9.982 0.306 15 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 37 ASN H 1 51 SER O . . 1.800 2.005 1.994 2.018 0.218 11 0 "[ . 1 . 2]" 2
2 1 37 ASN N 1 51 SER O . . 2.700 2.780 2.732 2.848 0.148 5 0 "[ . 1 . 2]" 2
3 1 35 VAL H 1 53 THR O . . 1.800 1.848 1.791 2.003 0.203 13 0 "[ . 1 . 2]" 2
4 1 35 VAL N 1 53 THR O . . 2.700 2.762 2.692 2.923 0.223 4 0 "[ . 1 . 2]" 2
5 1 50 ALA O 1 62 GLY H . . 1.800 2.015 2.002 2.035 0.235 18 0 "[ . 1 . 2]" 2
6 1 50 ALA O 1 62 GLY N . . 2.700 2.984 2.918 3.006 0.306 15 0 "[ . 1 . 2]" 2
stop_
save_
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