NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593634 |
2my2   |
25442 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2my2
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 1380
_Distance_constraint_stats_list.Viol_count 1747
_Distance_constraint_stats_list.Viol_total 4242.658
_Distance_constraint_stats_list.Viol_max 0.497
_Distance_constraint_stats_list.Viol_rms 0.0378
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.1214
_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 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 0.147 0.147 20 0 "[ . 1 . 2]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.637 0.206 19 0 "[ . 1 . 2]"
1 12 TYR 5.030 0.255 11 0 "[ . 1 . 2]"
1 13 ILE 11.037 0.394 20 0 "[ . 1 . 2]"
1 14 TYR 0.710 0.180 9 0 "[ . 1 . 2]"
1 15 ILE 10.428 0.412 4 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASN 0.889 0.172 13 0 "[ . 1 . 2]"
1 18 LEU 4.787 0.262 6 0 "[ . 1 . 2]"
1 19 ASN 1.448 0.222 3 0 "[ . 1 . 2]"
1 20 ARG 1.357 0.399 15 0 "[ . 1 . 2]"
1 21 GLU 1.616 0.399 15 0 "[ . 1 . 2]"
1 22 LEU 2.439 0.222 3 0 "[ . 1 . 2]"
1 23 THR 1.253 0.259 16 0 "[ . 1 . 2]"
1 24 GLU 1.076 0.244 15 0 "[ . 1 . 2]"
1 25 GLY 0.263 0.110 18 0 "[ . 1 . 2]"
1 26 ASP 0.017 0.012 9 0 "[ . 1 . 2]"
1 27 ILE 9.834 0.428 6 0 "[ . 1 . 2]"
1 28 LEU 11.082 0.366 2 0 "[ . 1 . 2]"
1 29 THR 10.917 0.453 8 0 "[ . 1 . 2]"
1 30 VAL 6.419 0.428 6 0 "[ . 1 . 2]"
1 31 PHE 3.684 0.346 16 0 "[ . 1 . 2]"
1 32 SER 5.164 0.207 16 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 2.439 0.289 6 0 "[ . 1 . 2]"
1 35 GLY 0.496 0.188 16 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 5.067 0.349 11 0 "[ . 1 . 2]"
1 38 VAL 9.836 0.320 4 0 "[ . 1 . 2]"
1 39 ASP 0.381 0.131 11 0 "[ . 1 . 2]"
1 40 VAL 5.649 0.412 4 0 "[ . 1 . 2]"
1 41 ILE 2.387 0.225 5 0 "[ . 1 . 2]"
1 42 LEU 6.431 0.393 15 0 "[ . 1 . 2]"
1 43 SER 1.736 0.276 8 0 "[ . 1 . 2]"
1 44 ARG 0.080 0.080 10 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 3.108 0.296 13 0 "[ . 1 . 2]"
1 49 GLY 2.432 0.296 13 0 "[ . 1 . 2]"
1 50 GLU 0.675 0.278 18 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 0.101 0.054 4 0 "[ . 1 . 2]"
1 53 GLY 0.315 0.214 2 0 "[ . 1 . 2]"
1 54 PHE 1.003 0.154 5 0 "[ . 1 . 2]"
1 55 ALA 3.836 0.393 15 0 "[ . 1 . 2]"
1 56 TYR 4.002 0.343 4 0 "[ . 1 . 2]"
1 57 LEU 11.982 0.427 17 0 "[ . 1 . 2]"
1 58 LYS 3.531 0.255 11 0 "[ . 1 . 2]"
1 59 TYR 4.631 0.427 17 0 "[ . 1 . 2]"
1 60 GLU 1.952 0.272 20 0 "[ . 1 . 2]"
1 61 ASP 0.629 0.159 11 0 "[ . 1 . 2]"
1 62 GLN 0.848 0.206 19 0 "[ . 1 . 2]"
1 63 ARG 1.065 0.206 2 0 "[ . 1 . 2]"
1 64 SER 1.535 0.394 20 0 "[ . 1 . 2]"
1 65 THR 1.678 0.305 11 0 "[ . 1 . 2]"
1 66 ILE 5.274 0.363 18 0 "[ . 1 . 2]"
1 67 LEU 13.108 0.497 17 0 "[ . 1 . 2]"
1 68 ALA 7.606 0.437 8 0 "[ . 1 . 2]"
1 69 VAL 2.497 0.313 18 0 "[ . 1 . 2]"
1 70 ASP 0.091 0.091 8 0 "[ . 1 . 2]"
1 71 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 17.301 0.437 8 0 "[ . 1 . 2]"
1 73 ASN 4.201 0.262 6 0 "[ . 1 . 2]"
1 74 GLY 0.167 0.091 4 0 "[ . 1 . 2]"
1 75 PHE 3.927 0.352 11 0 "[ . 1 . 2]"
1 76 LYS 4.246 0.284 14 0 "[ . 1 . 2]"
1 77 ILE 10.801 0.354 5 0 "[ . 1 . 2]"
1 79 GLY 0.669 0.230 4 0 "[ . 1 . 2]"
1 80 ARG 3.028 0.230 4 0 "[ . 1 . 2]"
1 81 ALA 4.536 0.284 14 0 "[ . 1 . 2]"
1 82 LEU 8.128 0.368 19 0 "[ . 1 . 2]"
1 83 LYS 3.136 0.408 9 0 "[ . 1 . 2]"
1 84 ILE 16.605 0.424 11 0 "[ . 1 . 2]"
1 85 ASP 2.408 0.290 5 0 "[ . 1 . 2]"
1 86 HIS 1.156 0.149 6 0 "[ . 1 . 2]"
1 87 THR 5.859 0.367 9 0 "[ . 1 . 2]"
1 89 TYR 3.492 0.367 9 0 "[ . 1 . 2]"
1 90 ARG 0.354 0.177 20 0 "[ . 1 . 2]"
1 91 PRO 2.274 0.220 7 0 "[ . 1 . 2]"
1 95 LEU 1.304 0.258 16 0 "[ . 1 . 2]"
1 98 TYR 3.413 0.266 8 0 "[ . 1 . 2]"
1 99 TYR 0.428 0.199 14 0 "[ . 1 . 2]"
1 100 GLU 0.138 0.138 18 0 "[ . 1 . 2]"
1 101 ALA 3.322 0.266 8 0 "[ . 1 . 2]"
1 102 VAL 0.990 0.199 14 0 "[ . 1 . 2]"
1 103 LYS 0.488 0.171 9 0 "[ . 1 . 2]"
1 104 GLU 0.450 0.155 9 0 "[ . 1 . 2]"
1 105 GLU 1.320 0.217 14 0 "[ . 1 . 2]"
1 106 LEU 0.154 0.079 5 0 "[ . 1 . 2]"
1 107 ASP 1.085 0.199 11 0 "[ . 1 . 2]"
1 108 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ILE 0.636 0.199 11 0 "[ . 1 . 2]"
2 3 LYS 0.680 0.242 19 0 "[ . 1 . 2]"
2 4 PRO 0.680 0.242 19 0 "[ . 1 . 2]"
2 5 ALA 3.036 0.382 7 0 "[ . 1 . 2]"
2 6 PRO 3.036 0.382 7 0 "[ . 1 . 2]"
2 7 GLU 1.849 0.157 16 0 "[ . 1 . 2]"
2 8 ASN 1.037 0.314 14 0 "[ . 1 . 2]"
2 9 ARG 4.688 0.497 17 0 "[ . 1 . 2]"
2 10 PHE 12.598 0.321 16 0 "[ . 1 . 2]"
2 11 ALA 2.920 0.315 8 0 "[ . 1 . 2]"
2 12 ILE 9.131 0.365 19 0 "[ . 1 . 2]"
2 13 MET 3.046 0.431 18 0 "[ . 1 . 2]"
2 14 PRO 2.542 0.431 18 0 "[ . 1 . 2]"
2 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 ARG 8.522 0.366 2 0 "[ . 1 . 2]"
2 18 TRP 10.588 0.453 8 0 "[ . 1 . 2]"
2 19 ASP 11.803 0.419 3 0 "[ . 1 . 2]"
2 20 GLY 0.030 0.030 13 0 "[ . 1 . 2]"
2 21 VAL 0.183 0.052 6 0 "[ . 1 . 2]"
2 22 HIS 0.315 0.184 20 0 "[ . 1 . 2]"
2 23 ARG 6.470 0.429 1 0 "[ . 1 . 2]"
2 24 SER 1.262 0.200 13 0 "[ . 1 . 2]"
2 25 ASN 2.329 0.303 12 0 "[ . 1 . 2]"
2 26 GLY 0.290 0.165 15 0 "[ . 1 . 2]"
2 27 PHE 0.290 0.165 15 0 "[ . 1 . 2]"
2 28 GLU 0.403 0.160 9 0 "[ . 1 . 2]"
2 29 GLU 0.661 0.227 17 0 "[ . 1 . 2]"
2 30 LYS 2.133 0.227 17 0 "[ . 1 . 2]"
2 31 TRP 3.908 0.432 17 0 "[ . 1 . 2]"
2 32 PHE 7.094 0.432 17 0 "[ . 1 . 2]"
2 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 LYS 1.157 0.267 16 0 "[ . 1 . 2]"
2 35 GLN 3.038 0.399 17 0 "[ . 1 . 2]"
2 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 GLU 1.840 0.340 2 0 "[ . 1 . 2]"
2 38 ILE 2.564 0.363 8 0 "[ . 1 . 2]"
2 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 41 ILE MG 1 42 LEU H 3.550 . 3.900 2.855 2.664 3.043 . 0 0 "[ . 1 . 2]" 1
2 1 42 LEU H 1 42 LEU MD1 5.030 . 5.530 3.516 2.193 4.239 . 0 0 "[ . 1 . 2]" 1
3 1 42 LEU MD1 1 43 SER H 4.710 . 5.180 4.241 3.157 5.393 0.213 15 0 "[ . 1 . 2]" 1
4 1 42 LEU HA 1 55 ALA MB 4.060 . 4.470 2.719 2.094 3.084 . 0 0 "[ . 1 . 2]" 1
5 1 66 ILE H 1 66 ILE MD 3.620 . 3.980 3.448 3.368 4.155 0.175 20 0 "[ . 1 . 2]" 1
6 1 66 ILE MD 2 10 PHE QE 3.310 . 3.640 3.195 2.863 3.428 . 0 0 "[ . 1 . 2]" 1
7 1 12 TYR HA 1 58 LYS HA 4.790 . 5.270 3.249 2.656 3.762 . 0 0 "[ . 1 . 2]" 1
8 1 11 ALA MB 1 12 TYR HA 4.750 . 5.220 4.047 3.928 4.109 . 0 0 "[ . 1 . 2]" 1
9 1 81 ALA H 1 81 ALA MB 3.480 . 3.830 2.284 2.223 2.359 . 0 0 "[ . 1 . 2]" 1
10 1 74 GLY H 1 81 ALA MB 4.340 . 4.770 3.894 3.390 4.578 . 0 0 "[ . 1 . 2]" 1
11 1 66 ILE HA 1 86 HIS HE1 4.650 . 5.120 4.194 3.118 5.109 . 0 0 "[ . 1 . 2]" 1
12 1 66 ILE HA 1 68 ALA H 4.800 . 5.280 4.748 4.414 5.175 . 0 0 "[ . 1 . 2]" 1
13 1 39 ASP HA 1 40 VAL H 3.470 . 3.820 2.243 2.169 2.347 . 0 0 "[ . 1 . 2]" 1
14 1 42 LEU MD2 1 43 SER H 4.710 . 5.180 4.416 3.244 5.205 0.025 3 0 "[ . 1 . 2]" 1
15 1 42 LEU H 1 42 LEU MD2 5.030 . 5.530 3.717 2.316 4.570 . 0 0 "[ . 1 . 2]" 1
16 1 18 LEU H 1 18 LEU MD1 3.960 . 4.360 3.654 1.804 4.468 0.108 18 0 "[ . 1 . 2]" 1
17 1 13 ILE MG 1 14 TYR H 3.980 . 4.380 3.188 2.583 3.762 . 0 0 "[ . 1 . 2]" 1
18 1 13 ILE H 1 13 ILE MG 4.170 . 4.590 3.513 2.881 3.879 . 0 0 "[ . 1 . 2]" 1
19 1 30 VAL HA 1 32 SER H 4.700 . 5.170 4.186 3.983 4.319 . 0 0 "[ . 1 . 2]" 1
20 1 30 VAL MG1 1 31 PHE H 4.100 . 4.510 3.150 3.075 3.304 . 0 0 "[ . 1 . 2]" 1
21 1 101 ALA MB 1 102 VAL H 3.880 . 4.270 2.960 2.372 3.701 . 0 0 "[ . 1 . 2]" 1
22 1 98 TYR QE 1 101 ALA MB 4.100 . 4.510 3.534 2.491 4.447 . 0 0 "[ . 1 . 2]" 1
23 1 98 TYR QE 1 101 ALA HA 5.720 . 6.290 6.177 5.126 6.515 0.225 11 0 "[ . 1 . 2]" 1
24 1 101 ALA HA 1 102 VAL MG1 6.000 . 6.600 5.196 4.139 6.121 . 0 0 "[ . 1 . 2]" 1
25 1 101 ALA HA 1 102 VAL MG2 6.000 . 6.600 5.041 3.679 6.147 . 0 0 "[ . 1 . 2]" 1
26 1 98 TYR HA 1 101 ALA MB 3.810 . 4.190 3.252 2.121 4.456 0.266 8 0 "[ . 1 . 2]" 1
27 1 101 ALA MB 1 102 VAL MG1 4.970 . 5.470 4.236 2.650 5.383 . 0 0 "[ . 1 . 2]" 1
28 1 101 ALA MB 1 102 VAL MG2 4.970 . 5.470 4.015 2.914 5.137 . 0 0 "[ . 1 . 2]" 1
29 1 98 TYR QD 1 101 ALA MB 4.530 . 4.980 2.936 2.054 4.005 . 0 0 "[ . 1 . 2]" 1
30 1 89 TYR QE 1 91 PRO HA 4.330 . 4.760 3.069 2.384 3.633 . 0 0 "[ . 1 . 2]" 1
31 1 102 VAL HA 1 102 VAL MG1 3.250 . 3.580 2.547 2.195 3.196 . 0 0 "[ . 1 . 2]" 1
32 1 101 ALA MB 1 102 VAL HA 3.990 . 4.390 3.935 3.779 4.287 . 0 0 "[ . 1 . 2]" 1
33 1 98 TYR HA 1 101 ALA H 5.000 . 5.500 3.630 2.917 4.733 . 0 0 "[ . 1 . 2]" 1
34 1 13 ILE MG 1 66 ILE H 5.120 . 5.630 5.738 5.227 5.993 0.363 18 0 "[ . 1 . 2]" 1
35 1 13 ILE MG 1 86 HIS HD2 5.430 . 5.970 3.808 2.251 5.927 . 0 0 "[ . 1 . 2]" 1
36 1 13 ILE MG 1 86 HIS HE1 5.780 . 6.360 4.906 3.643 5.971 . 0 0 "[ . 1 . 2]" 1
37 1 13 ILE MG 1 65 THR H 4.860 . 5.350 5.193 4.736 5.498 0.148 18 0 "[ . 1 . 2]" 1
38 1 13 ILE MG 1 87 THR H 4.550 . 5.010 4.171 3.009 5.025 0.015 16 0 "[ . 1 . 2]" 1
39 1 13 ILE MG 1 68 ALA H 5.510 . 6.060 5.777 5.243 6.282 0.222 20 0 "[ . 1 . 2]" 1
40 1 13 ILE MG 1 65 THR HB 3.630 . 3.990 2.658 2.172 3.241 . 0 0 "[ . 1 . 2]" 1
41 1 13 ILE MG 1 65 THR HA 3.840 . 4.220 3.538 3.096 4.236 0.016 14 0 "[ . 1 . 2]" 1
42 1 13 ILE MG 1 86 HIS HB2 6.000 . 6.600 5.330 4.546 6.047 . 0 0 "[ . 1 . 2]" 1
43 1 13 ILE MG 1 86 HIS HB3 6.000 . 6.600 4.769 3.905 5.598 . 0 0 "[ . 1 . 2]" 1
44 1 13 ILE MG 1 65 THR MG 3.290 . 3.620 2.786 2.086 3.276 . 0 0 "[ . 1 . 2]" 1
45 1 13 ILE MG 1 15 ILE MD 4.880 . 5.370 4.496 3.634 5.312 . 0 0 "[ . 1 . 2]" 1
46 1 41 ILE MD 1 89 TYR QD 4.500 . 4.950 4.531 3.913 5.163 0.213 18 0 "[ . 1 . 2]" 1
47 1 13 ILE MD 1 15 ILE MD 3.620 . 3.980 3.413 2.287 4.158 0.178 16 0 "[ . 1 . 2]" 1
48 1 13 ILE MD 1 31 PHE QE 3.700 . 4.070 3.079 2.276 4.118 0.048 15 0 "[ . 1 . 2]" 1
49 1 12 TYR QE 1 41 ILE MD 3.510 . 3.860 2.874 2.480 3.390 . 0 0 "[ . 1 . 2]" 1
50 1 13 ILE H 1 13 ILE MD 4.350 . 4.790 3.759 3.597 3.919 . 0 0 "[ . 1 . 2]" 1
51 1 13 ILE MD 1 68 ALA H 5.330 . 5.860 5.157 4.512 5.656 . 0 0 "[ . 1 . 2]" 1
52 1 13 ILE MD 1 69 VAL H 5.650 . 6.210 5.030 4.338 5.578 . 0 0 "[ . 1 . 2]" 1
53 1 13 ILE MD 1 57 LEU MD1 4.160 . 4.580 3.133 1.961 4.212 . 0 0 "[ . 1 . 2]" 1
54 1 13 ILE HB 1 13 ILE MD 3.310 . 3.640 2.325 2.240 2.368 . 0 0 "[ . 1 . 2]" 1
55 1 13 ILE MD 1 65 THR HA 4.540 . 4.990 2.983 2.213 3.857 . 0 0 "[ . 1 . 2]" 1
56 1 73 ASN H 1 73 ASN HB3 3.870 . 4.260 2.432 2.244 2.640 . 0 0 "[ . 1 . 2]" 1
57 1 73 ASN H 1 73 ASN HB2 3.920 . 4.310 2.720 2.442 3.006 . 0 0 "[ . 1 . 2]" 1
58 1 73 ASN HB2 1 74 GLY H 4.910 . 5.400 4.320 4.190 4.436 . 0 0 "[ . 1 . 2]" 1
59 1 73 ASN HB3 1 74 GLY H 4.720 . 5.190 4.370 4.179 4.524 . 0 0 "[ . 1 . 2]" 1
60 1 73 ASN HB3 1 84 ILE MD 5.750 . 6.320 5.902 4.441 6.423 0.103 16 0 "[ . 1 . 2]" 1
61 1 73 ASN HB2 1 84 ILE HB 4.370 . 4.810 3.488 2.621 3.814 . 0 0 "[ . 1 . 2]" 1
62 1 73 ASN HB3 1 84 ILE HB 4.770 . 5.250 5.163 4.382 5.417 0.167 15 0 "[ . 1 . 2]" 1
63 1 73 ASN HA 1 84 ILE H 4.890 . 5.380 3.730 2.989 4.304 . 0 0 "[ . 1 . 2]" 1
64 1 15 ILE MD 1 31 PHE QE 3.890 . 4.280 2.859 2.278 3.138 . 0 0 "[ . 1 . 2]" 1
65 1 15 ILE HA 1 15 ILE MD 4.170 . 4.590 3.858 3.833 3.887 . 0 0 "[ . 1 . 2]" 1
66 1 14 TYR HA 1 15 ILE MD 4.580 . 5.040 4.905 4.718 5.016 . 0 0 "[ . 1 . 2]" 1
67 1 15 ILE MD 1 57 LEU HA 4.520 . 4.970 4.413 3.830 5.284 0.314 11 0 "[ . 1 . 2]" 1
68 1 15 ILE MD 1 56 TYR HA 4.400 . 4.840 4.216 3.346 4.856 0.016 9 0 "[ . 1 . 2]" 1
69 1 15 ILE H 1 15 ILE MD 4.060 . 4.470 3.770 3.640 3.960 . 0 0 "[ . 1 . 2]" 1
70 1 15 ILE MD 1 57 LEU H 4.140 . 4.550 3.788 3.274 4.238 . 0 0 "[ . 1 . 2]" 1
71 1 15 ILE MD 1 85 ASP H 5.540 . 6.090 5.930 5.479 6.215 0.125 10 0 "[ . 1 . 2]" 1
72 1 14 TYR H 1 15 ILE MD 5.530 . 6.080 5.760 5.608 6.063 . 0 0 "[ . 1 . 2]" 1
73 1 15 ILE MD 1 55 ALA H 5.790 . 6.370 4.804 3.628 5.569 . 0 0 "[ . 1 . 2]" 1
74 1 13 ILE H 1 15 ILE MD 5.010 . 5.510 5.211 4.755 5.720 0.210 17 0 "[ . 1 . 2]" 1
75 1 15 ILE MD 1 16 GLY H 5.590 . 6.150 5.293 5.117 5.539 . 0 0 "[ . 1 . 2]" 1
76 1 15 ILE MD 1 27 ILE HA 5.410 . 5.950 5.205 4.981 5.424 . 0 0 "[ . 1 . 2]" 1
77 1 15 ILE MD 1 57 LEU HG 3.780 . 4.160 3.445 2.171 4.325 0.165 7 0 "[ . 1 . 2]" 1
78 1 15 ILE MD 1 15 ILE MG 3.140 . 3.450 1.918 1.813 2.072 . 0 0 "[ . 1 . 2]" 1
79 1 15 ILE MD 1 27 ILE MG 3.100 . 3.410 2.780 2.648 2.975 . 0 0 "[ . 1 . 2]" 1
80 1 13 ILE HB 1 15 ILE MD 3.970 . 4.370 3.960 3.268 4.628 0.258 1 0 "[ . 1 . 2]" 1
81 1 15 ILE MD 1 27 ILE HB 5.030 . 5.530 5.207 4.970 5.492 . 0 0 "[ . 1 . 2]" 1
82 1 15 ILE MD 1 40 VAL HB 5.810 . 6.390 6.226 5.081 6.802 0.412 4 0 "[ . 1 . 2]" 1
83 1 15 ILE MG 1 83 LYS HB3 4.770 . 5.250 4.997 4.631 5.336 0.086 6 0 "[ . 1 . 2]" 1
84 1 15 ILE MG 1 82 LEU HA 4.320 . 4.750 4.483 4.066 4.916 0.166 7 0 "[ . 1 . 2]" 1
85 1 14 TYR HA 1 15 ILE MG 5.490 . 6.040 5.466 5.425 5.496 . 0 0 "[ . 1 . 2]" 1
86 1 15 ILE MG 1 84 ILE HA 4.650 . 5.120 4.181 3.744 4.436 . 0 0 "[ . 1 . 2]" 1
87 1 15 ILE MG 1 54 PHE HA 5.430 . 5.970 4.689 3.746 5.903 . 0 0 "[ . 1 . 2]" 1
88 1 15 ILE MG 1 31 PHE QE 3.930 . 4.320 3.397 2.694 4.135 . 0 0 "[ . 1 . 2]" 1
89 1 15 ILE MG 1 18 LEU H 4.350 . 4.790 4.454 4.141 4.803 0.013 11 0 "[ . 1 . 2]" 1
90 1 15 ILE MG 1 83 LYS H 4.720 . 5.190 3.729 3.357 3.978 . 0 0 "[ . 1 . 2]" 1
91 1 15 ILE H 1 15 ILE MG 4.180 . 4.600 3.845 3.813 3.880 . 0 0 "[ . 1 . 2]" 1
92 1 15 ILE MG 1 19 ASN H 6.000 . 6.600 5.951 5.295 6.442 . 0 0 "[ . 1 . 2]" 1
93 1 15 ILE MG 1 84 ILE H 6.000 . 6.600 5.473 5.011 5.754 . 0 0 "[ . 1 . 2]" 1
94 1 15 ILE MG 1 55 ALA H 4.980 . 5.480 4.413 3.751 5.333 . 0 0 "[ . 1 . 2]" 1
95 1 15 ILE MG 1 85 ASP H 5.730 . 6.300 5.533 5.279 5.719 . 0 0 "[ . 1 . 2]" 1
96 1 15 ILE MG 1 16 GLY H 4.020 . 4.420 2.900 2.595 3.362 . 0 0 "[ . 1 . 2]" 1
97 1 14 TYR QD 1 15 ILE MG 5.240 . 5.760 5.382 5.189 5.637 . 0 0 "[ . 1 . 2]" 1
98 1 15 ILE HB 1 55 ALA MB 4.360 . 4.800 2.980 2.294 4.015 . 0 0 "[ . 1 . 2]" 1
99 1 18 LEU HA 1 18 LEU MD2 4.300 . 4.730 3.824 3.437 4.120 . 0 0 "[ . 1 . 2]" 1
100 1 18 LEU MD2 1 54 PHE HA 4.500 . 4.950 3.098 2.119 4.524 . 0 0 "[ . 1 . 2]" 1
101 1 18 LEU H 1 18 LEU MD2 3.960 . 4.360 2.762 1.598 4.394 0.202 14 0 "[ . 1 . 2]" 1
102 1 18 LEU MD2 1 19 ASN H 4.670 . 5.140 4.667 3.444 5.141 0.001 20 0 "[ . 1 . 2]" 1
103 1 24 GLU HA 1 42 LEU MD2 4.060 . 4.470 3.571 3.048 4.517 0.047 1 0 "[ . 1 . 2]" 1
104 1 18 LEU HA 1 18 LEU MD1 4.300 . 4.730 3.707 2.277 4.158 . 0 0 "[ . 1 . 2]" 1
105 1 18 LEU MD1 1 54 PHE HA 4.500 . 4.950 4.426 3.352 5.046 0.096 4 0 "[ . 1 . 2]" 1
106 1 18 LEU MD1 1 54 PHE H 4.610 . 5.070 4.593 3.906 5.224 0.154 5 0 "[ . 1 . 2]" 1
107 1 18 LEU MD1 1 19 ASN H 4.670 . 5.140 3.730 3.070 4.518 . 0 0 "[ . 1 . 2]" 1
108 1 18 LEU H 1 18 LEU HG 5.020 . 5.520 2.538 1.794 4.465 0.006 15 0 "[ . 1 . 2]" 1
109 1 19 ASN HB2 1 22 LEU HG 5.020 . 5.520 4.589 2.279 5.692 0.172 13 0 "[ . 1 . 2]" 1
110 1 19 ASN HB3 1 22 LEU HG 5.020 . 5.520 4.422 2.312 5.632 0.112 11 0 "[ . 1 . 2]" 1
111 1 19 ASN H 1 19 ASN HB2 4.160 . 4.580 2.302 2.083 2.583 . 0 0 "[ . 1 . 2]" 1
112 1 19 ASN H 1 19 ASN HB3 4.160 . 4.580 3.132 2.549 3.596 . 0 0 "[ . 1 . 2]" 1
113 1 19 ASN HB3 1 22 LEU MD1 4.740 . 5.210 2.910 2.026 5.250 0.040 5 0 "[ . 1 . 2]" 1
114 1 19 ASN HB2 1 22 LEU MD1 4.740 . 5.210 2.880 2.158 4.523 . 0 0 "[ . 1 . 2]" 1
115 1 22 LEU HA 1 22 LEU MD1 4.310 . 4.740 2.791 2.157 3.853 . 0 0 "[ . 1 . 2]" 1
116 1 22 LEU HA 1 22 LEU MD2 4.310 . 4.740 3.174 2.110 3.792 . 0 0 "[ . 1 . 2]" 1
117 1 22 LEU MD1 1 26 ASP HB3 6.160 . 6.780 3.911 2.134 5.079 . 0 0 "[ . 1 . 2]" 1
118 1 19 ASN HB3 1 22 LEU MD2 4.740 . 5.210 3.964 2.684 4.802 . 0 0 "[ . 1 . 2]" 1
119 1 19 ASN HB2 1 22 LEU MD2 4.740 . 5.210 3.696 2.178 4.953 . 0 0 "[ . 1 . 2]" 1
120 1 22 LEU MD2 1 26 ASP HB3 6.160 . 6.780 3.417 2.299 4.026 . 0 0 "[ . 1 . 2]" 1
121 1 22 LEU H 1 22 LEU MD2 4.500 . 4.950 3.658 2.527 4.339 . 0 0 "[ . 1 . 2]" 1
122 1 19 ASN H 1 22 LEU MD2 4.350 . 4.790 3.449 2.387 5.012 0.222 3 0 "[ . 1 . 2]" 1
123 1 21 GLU H 1 22 LEU MD2 5.580 . 6.140 5.349 4.116 6.237 0.097 19 0 "[ . 1 . 2]" 1
124 1 22 LEU MD2 1 23 THR H 5.050 . 5.560 4.393 3.531 5.056 . 0 0 "[ . 1 . 2]" 1
125 1 22 LEU H 1 22 LEU MD1 4.500 . 4.950 2.829 1.837 4.139 . 0 0 "[ . 1 . 2]" 1
126 1 21 GLU H 1 22 LEU MD1 5.580 . 6.140 4.376 3.295 6.170 0.030 5 0 "[ . 1 . 2]" 1
127 1 19 ASN H 1 22 LEU MD1 4.350 . 4.790 3.101 2.320 4.526 . 0 0 "[ . 1 . 2]" 1
128 1 22 LEU MD1 1 23 THR H 5.050 . 5.560 4.305 2.761 5.151 . 0 0 "[ . 1 . 2]" 1
129 1 41 ILE H 1 41 ILE MG 4.030 . 4.430 3.813 3.783 3.845 . 0 0 "[ . 1 . 2]" 1
130 1 23 THR H 1 23 THR MG 3.910 . 4.300 2.333 1.799 3.180 0.001 18 0 "[ . 1 . 2]" 1
131 1 23 THR MG 1 24 GLU H 4.280 . 4.710 3.466 2.771 3.775 . 0 0 "[ . 1 . 2]" 1
132 1 24 GLU HA 1 27 ILE H 4.790 . 5.270 3.543 3.377 3.615 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE MG 1 27 ILE HA 5.940 . 6.530 5.664 5.253 6.160 . 0 0 "[ . 1 . 2]" 1
134 1 27 ILE H 1 27 ILE HG12 4.610 . 5.070 3.603 3.560 3.653 . 0 0 "[ . 1 . 2]" 1
135 1 27 ILE H 1 27 ILE HG13 4.610 . 5.070 2.257 2.220 2.303 . 0 0 "[ . 1 . 2]" 1
136 1 27 ILE MG 1 57 LEU MD1 4.650 . 5.120 2.835 2.112 4.228 . 0 0 "[ . 1 . 2]" 1
137 1 27 ILE MG 1 57 LEU HG 4.250 . 4.680 4.291 3.503 4.794 0.114 14 0 "[ . 1 . 2]" 1
138 1 27 ILE MG 1 40 VAL MG1 4.050 . 4.460 2.975 2.554 3.482 . 0 0 "[ . 1 . 2]" 1
139 1 27 ILE MG 1 30 VAL HB 4.270 . 4.700 3.606 3.375 3.884 . 0 0 "[ . 1 . 2]" 1
140 1 27 ILE MG 1 31 PHE HB3 4.720 . 5.190 4.696 4.379 5.088 . 0 0 "[ . 1 . 2]" 1
141 1 27 ILE MG 1 31 PHE HB2 4.720 . 5.190 3.473 3.157 3.868 . 0 0 "[ . 1 . 2]" 1
142 1 27 ILE HA 1 27 ILE MG 3.520 . 3.870 2.398 2.363 2.423 . 0 0 "[ . 1 . 2]" 1
143 1 27 ILE MG 1 31 PHE QE 4.030 . 4.430 2.846 2.290 3.177 . 0 0 "[ . 1 . 2]" 1
144 1 27 ILE MG 1 31 PHE QD 3.420 . 3.760 2.459 2.208 2.744 . 0 0 "[ . 1 . 2]" 1
145 1 27 ILE MG 1 28 LEU H 4.100 . 4.510 3.266 3.183 3.366 . 0 0 "[ . 1 . 2]" 1
146 1 27 ILE MG 1 31 PHE H 4.330 . 4.760 3.813 3.615 4.019 . 0 0 "[ . 1 . 2]" 1
147 1 27 ILE MG 1 57 LEU HA 4.860 . 5.350 5.315 4.835 5.679 0.329 4 0 "[ . 1 . 2]" 1
148 1 15 ILE MD 1 27 ILE MD 3.900 . 4.290 3.486 2.891 3.959 . 0 0 "[ . 1 . 2]" 1
149 1 27 ILE HB 1 27 ILE MD 3.310 . 3.640 2.279 2.202 2.346 . 0 0 "[ . 1 . 2]" 1
150 1 15 ILE HB 1 27 ILE MD 4.190 . 4.610 4.665 4.527 4.890 0.280 2 0 "[ . 1 . 2]" 1
151 1 24 GLU HA 1 27 ILE MD 3.370 . 3.710 2.532 2.296 2.788 . 0 0 "[ . 1 . 2]" 1
152 1 27 ILE MD 1 31 PHE QE 5.530 . 6.080 4.887 4.490 5.176 . 0 0 "[ . 1 . 2]" 1
153 1 27 ILE H 1 27 ILE MD 3.600 . 3.960 3.453 3.420 3.544 . 0 0 "[ . 1 . 2]" 1
154 1 27 ILE MD 1 28 LEU H 4.580 . 5.040 4.446 4.402 4.513 . 0 0 "[ . 1 . 2]" 1
155 1 28 LEU H 1 28 LEU HG 4.070 . 4.480 2.532 2.303 2.672 . 0 0 "[ . 1 . 2]" 1
156 1 28 LEU H 1 28 LEU MD2 4.260 . 4.690 3.872 3.567 3.985 . 0 0 "[ . 1 . 2]" 1
157 1 28 LEU MD2 1 29 THR H 4.930 . 5.420 4.717 4.613 4.763 . 0 0 "[ . 1 . 2]" 1
158 1 28 LEU HA 1 28 LEU MD2 4.350 . 4.790 2.217 2.100 2.283 . 0 0 "[ . 1 . 2]" 1
159 1 28 LEU HB3 1 28 LEU MD2 3.390 . 3.730 2.223 2.163 2.271 . 0 0 "[ . 1 . 2]" 1
160 1 28 LEU HB2 1 28 LEU MD2 3.380 . 3.720 3.177 3.152 3.204 . 0 0 "[ . 1 . 2]" 1
161 1 28 LEU HB2 1 28 LEU MD1 3.380 . 3.720 2.259 2.223 2.301 . 0 0 "[ . 1 . 2]" 1
162 1 28 LEU HB3 1 28 LEU MD1 3.390 . 3.730 2.568 2.494 2.622 . 0 0 "[ . 1 . 2]" 1
163 1 28 LEU HA 1 28 LEU MD1 4.350 . 4.790 3.798 3.766 3.821 . 0 0 "[ . 1 . 2]" 1
164 1 28 LEU MD1 1 29 THR H 4.930 . 5.420 4.420 4.354 4.488 . 0 0 "[ . 1 . 2]" 1
165 1 28 LEU H 1 28 LEU MD1 4.260 . 4.690 3.280 3.210 3.471 . 0 0 "[ . 1 . 2]" 1
166 1 29 THR HB 1 30 VAL H 4.260 . 4.690 2.592 2.525 2.633 . 0 0 "[ . 1 . 2]" 1
167 1 29 THR MG 2 19 ASP HB3 4.400 . 4.840 2.870 2.181 3.896 . 0 0 "[ . 1 . 2]" 1
168 1 29 THR MG 2 19 ASP HB2 4.460 . 4.910 2.570 2.133 3.130 . 0 0 "[ . 1 . 2]" 1
169 1 29 THR HA 1 29 THR MG 3.390 . 3.730 2.325 2.281 2.380 . 0 0 "[ . 1 . 2]" 1
170 1 29 THR MG 2 21 VAL MG2 4.240 . 4.660 2.436 1.782 3.212 0.018 9 0 "[ . 1 . 2]" 1
171 1 29 THR MG 1 30 VAL MG1 5.370 . 5.910 5.034 4.888 5.304 . 0 0 "[ . 1 . 2]" 1
172 1 29 THR MG 2 21 VAL MG1 4.240 . 4.660 2.714 1.862 3.287 . 0 0 "[ . 1 . 2]" 1
173 1 29 THR MG 2 19 ASP H 3.580 . 3.940 4.085 3.712 4.347 0.407 20 0 "[ . 1 . 2]" 1
174 1 29 THR H 1 29 THR MG 3.860 . 4.250 3.748 3.737 3.761 . 0 0 "[ . 1 . 2]" 1
175 1 29 THR MG 1 30 VAL H 3.900 . 4.290 3.488 3.332 3.743 . 0 0 "[ . 1 . 2]" 1
176 1 30 VAL MG2 1 72 LEU MD2 6.000 . 6.600 4.660 3.452 5.463 . 0 0 "[ . 1 . 2]" 1
177 1 30 VAL MG2 1 72 LEU MD1 6.000 . 6.600 4.214 3.222 5.491 . 0 0 "[ . 1 . 2]" 1
178 1 29 THR MG 1 30 VAL MG2 5.370 . 5.910 3.600 3.399 3.915 . 0 0 "[ . 1 . 2]" 1
179 1 27 ILE HA 1 30 VAL MG2 4.430 . 4.870 2.997 2.824 3.164 . 0 0 "[ . 1 . 2]" 1
180 1 30 VAL H 1 30 VAL MG2 3.920 . 4.310 2.197 2.143 2.270 . 0 0 "[ . 1 . 2]" 1
181 1 30 VAL MG2 1 31 PHE H 4.100 . 4.510 3.873 3.819 3.937 . 0 0 "[ . 1 . 2]" 1
182 1 30 VAL MG2 1 32 SER H 5.090 . 5.600 5.089 5.007 5.159 . 0 0 "[ . 1 . 2]" 1
183 1 30 VAL MG1 1 72 LEU MD2 6.000 . 6.600 2.778 1.847 3.419 . 0 0 "[ . 1 . 2]" 1
184 1 27 ILE HA 1 30 VAL MG1 4.430 . 4.870 4.028 3.880 4.132 . 0 0 "[ . 1 . 2]" 1
185 1 30 VAL H 1 30 VAL MG1 3.920 . 4.310 3.735 3.728 3.744 . 0 0 "[ . 1 . 2]" 1
186 1 30 VAL MG1 1 31 PHE QD 4.390 . 4.830 2.798 2.425 3.370 . 0 0 "[ . 1 . 2]" 1
187 1 30 VAL MG1 1 32 SER H 5.090 . 5.600 4.675 4.593 4.751 . 0 0 "[ . 1 . 2]" 1
188 1 31 PHE HA 1 72 LEU MD1 5.020 . 5.520 4.204 2.857 5.753 0.233 5 0 "[ . 1 . 2]" 1
189 1 36 VAL H 1 36 VAL MG2 4.140 . 4.550 3.725 3.693 3.756 . 0 0 "[ . 1 . 2]" 1
190 1 36 VAL H 1 36 VAL MG1 4.140 . 4.550 2.317 2.130 2.452 . 0 0 "[ . 1 . 2]" 1
191 1 38 VAL HB 1 39 ASP H 4.920 . 5.410 4.045 3.902 4.223 . 0 0 "[ . 1 . 2]" 1
192 1 38 VAL HA 1 38 VAL MG2 3.360 . 3.700 3.146 2.246 3.199 . 0 0 "[ . 1 . 2]" 1
193 1 38 VAL MG2 1 60 GLU H 4.190 . 4.610 4.071 2.928 4.613 0.003 19 0 "[ . 1 . 2]" 1
194 1 38 VAL H 1 38 VAL MG2 3.810 . 4.190 1.921 1.785 3.801 0.015 15 0 "[ . 1 . 2]" 1
195 1 38 VAL MG2 1 39 ASP H 3.930 . 4.320 2.552 2.204 3.940 . 0 0 "[ . 1 . 2]" 1
196 1 38 VAL MG1 1 60 GLU HA 4.240 . 4.660 4.131 3.281 4.705 0.045 20 0 "[ . 1 . 2]" 1
197 1 38 VAL HA 1 38 VAL MG1 3.360 . 3.700 2.347 2.232 3.197 . 0 0 "[ . 1 . 2]" 1
198 1 38 VAL MG1 1 59 TYR HA 4.780 . 5.260 4.084 2.265 5.002 . 0 0 "[ . 1 . 2]" 1
199 1 38 VAL MG1 1 39 ASP H 3.930 . 4.320 3.981 2.207 4.241 . 0 0 "[ . 1 . 2]" 1
200 1 38 VAL MG1 1 60 GLU H 4.190 . 4.610 3.692 2.538 4.450 . 0 0 "[ . 1 . 2]" 1
201 1 38 VAL H 1 38 VAL MG1 3.810 . 4.190 2.491 2.066 2.621 . 0 0 "[ . 1 . 2]" 1
202 1 40 VAL H 1 40 VAL HB 4.180 . 4.600 3.022 2.624 3.898 . 0 0 "[ . 1 . 2]" 1
203 1 27 ILE MG 1 40 VAL HB 5.360 . 5.900 4.783 3.955 5.240 . 0 0 "[ . 1 . 2]" 1
204 1 27 ILE MD 1 40 VAL HB 5.810 . 6.390 4.924 4.205 5.448 . 0 0 "[ . 1 . 2]" 1
205 1 28 LEU HG 1 40 VAL MG2 4.310 . 4.740 3.019 2.260 3.962 . 0 0 "[ . 1 . 2]" 1
206 1 27 ILE MG 1 40 VAL MG2 4.050 . 4.460 3.395 2.908 4.226 . 0 0 "[ . 1 . 2]" 1
207 1 27 ILE MD 1 40 VAL MG2 4.200 . 4.620 4.240 3.705 4.724 0.104 12 0 "[ . 1 . 2]" 1
208 1 40 VAL MG2 1 57 LEU MD1 5.790 . 6.370 3.378 1.897 6.091 . 0 0 "[ . 1 . 2]" 1
209 1 15 ILE MD 1 40 VAL MG2 5.600 . 6.160 4.967 4.477 6.150 . 0 0 "[ . 1 . 2]" 1
210 1 40 VAL MG2 1 57 LEU MD2 5.790 . 6.370 3.698 2.010 5.513 . 0 0 "[ . 1 . 2]" 1
211 1 24 GLU HA 1 40 VAL MG2 4.990 . 5.490 4.524 3.570 5.203 . 0 0 "[ . 1 . 2]" 1
212 1 28 LEU HA 1 40 VAL MG2 5.530 . 6.080 4.316 3.666 5.748 . 0 0 "[ . 1 . 2]" 1
213 1 40 VAL MG2 1 57 LEU HA 4.340 . 4.770 3.592 2.600 4.813 0.043 11 0 "[ . 1 . 2]" 1
214 1 39 ASP HA 1 40 VAL MG2 5.190 . 5.710 3.524 3.273 3.853 . 0 0 "[ . 1 . 2]" 1
215 1 40 VAL H 1 40 VAL MG2 3.960 . 4.360 2.602 2.082 2.944 . 0 0 "[ . 1 . 2]" 1
216 1 28 LEU H 1 40 VAL MG2 4.770 . 5.250 4.688 4.114 5.310 0.060 7 0 "[ . 1 . 2]" 1
217 1 40 VAL MG2 1 41 ILE H 3.970 . 4.370 3.950 3.534 4.182 . 0 0 "[ . 1 . 2]" 1
218 1 40 VAL MG1 1 57 LEU MD1 5.790 . 6.370 3.016 1.922 4.607 . 0 0 "[ . 1 . 2]" 1
219 1 27 ILE MD 1 40 VAL MG1 4.200 . 4.620 3.331 2.686 4.618 . 0 0 "[ . 1 . 2]" 1
220 1 40 VAL MG1 1 57 LEU MD2 5.790 . 6.370 3.559 2.208 4.773 . 0 0 "[ . 1 . 2]" 1
221 1 15 ILE MD 1 40 VAL MG1 5.600 . 6.160 4.009 3.633 4.973 . 0 0 "[ . 1 . 2]" 1
222 1 28 LEU HG 1 40 VAL MG1 4.310 . 4.740 3.944 2.698 4.699 . 0 0 "[ . 1 . 2]" 1
223 1 28 LEU HA 1 40 VAL MG1 5.530 . 6.080 5.075 3.988 5.595 . 0 0 "[ . 1 . 2]" 1
224 1 24 GLU HA 1 40 VAL MG1 4.990 . 5.490 4.156 3.108 5.532 0.042 9 0 "[ . 1 . 2]" 1
225 1 40 VAL MG1 1 57 LEU HA 4.340 . 4.770 2.930 2.277 3.631 . 0 0 "[ . 1 . 2]" 1
226 1 39 ASP HA 1 40 VAL MG1 5.190 . 5.710 4.905 3.225 5.463 . 0 0 "[ . 1 . 2]" 1
227 1 40 VAL MG1 1 41 ILE H 3.970 . 4.370 2.947 2.408 4.132 . 0 0 "[ . 1 . 2]" 1
228 1 28 LEU H 1 40 VAL MG1 4.770 . 5.250 5.079 4.411 5.448 0.198 14 0 "[ . 1 . 2]" 1
229 1 40 VAL MG1 1 57 LEU H 5.490 . 6.040 4.795 4.292 5.126 . 0 0 "[ . 1 . 2]" 1
230 1 40 VAL H 1 40 VAL MG1 3.960 . 4.360 3.611 2.668 3.956 . 0 0 "[ . 1 . 2]" 1
231 1 41 ILE HG13 1 41 ILE MG 3.240 . 3.560 3.189 3.184 3.194 . 0 0 "[ . 1 . 2]" 1
232 1 41 ILE HA 1 41 ILE MG 3.190 . 3.510 2.308 2.277 2.339 . 0 0 "[ . 1 . 2]" 1
233 1 41 ILE MG 1 55 ALA HA 4.500 . 4.950 4.628 4.204 5.024 0.074 3 0 "[ . 1 . 2]" 1
234 1 41 ILE MG 1 43 SER H 4.740 . 5.210 3.817 3.315 4.581 . 0 0 "[ . 1 . 2]" 1
235 1 41 ILE MD 1 56 TYR HB3 3.800 . 4.180 3.850 3.332 4.255 0.075 4 0 "[ . 1 . 2]" 1
236 1 41 ILE HB 1 41 ILE MD 3.210 . 3.530 2.301 2.226 2.345 . 0 0 "[ . 1 . 2]" 1
237 1 41 ILE MD 1 56 TYR HB2 3.800 . 4.180 2.993 2.365 3.520 . 0 0 "[ . 1 . 2]" 1
238 1 41 ILE MD 1 91 PRO HD3 5.690 . 6.260 5.232 4.275 6.282 0.022 2 0 "[ . 1 . 2]" 1
239 1 41 ILE HA 1 41 ILE MD 3.980 . 4.380 3.840 3.823 3.858 . 0 0 "[ . 1 . 2]" 1
240 1 13 ILE MD 1 65 THR HB 5.030 . 5.530 3.340 2.570 3.831 . 0 0 "[ . 1 . 2]" 1
241 1 13 ILE HA 1 13 ILE MD 4.370 . 4.810 4.008 3.844 4.144 . 0 0 "[ . 1 . 2]" 1
242 1 41 ILE MD 1 89 TYR QE 3.650 . 4.020 3.307 2.457 4.111 0.091 6 0 "[ . 1 . 2]" 1
243 1 41 ILE MG 1 89 TYR QE 4.560 . 5.020 4.160 3.201 4.981 . 0 0 "[ . 1 . 2]" 1
244 1 41 ILE MD 1 56 TYR H 4.780 . 5.260 4.768 4.257 5.373 0.113 8 0 "[ . 1 . 2]" 1
245 1 13 ILE MD 1 57 LEU H 5.220 . 5.740 4.521 3.871 4.917 . 0 0 "[ . 1 . 2]" 1
246 1 41 ILE H 1 41 ILE MD 3.930 . 4.320 3.687 3.565 3.802 . 0 0 "[ . 1 . 2]" 1
247 1 41 ILE HB 1 56 TYR H 4.650 . 5.120 3.197 2.744 3.777 . 0 0 "[ . 1 . 2]" 1
248 1 41 ILE H 1 41 ILE HG12 4.580 . 5.040 3.851 3.612 4.020 . 0 0 "[ . 1 . 2]" 1
249 1 41 ILE H 1 41 ILE HG13 4.590 . 5.050 2.568 2.285 2.747 . 0 0 "[ . 1 . 2]" 1
250 1 41 ILE HA 1 41 ILE HG12 4.040 . 4.440 2.593 2.557 2.626 . 0 0 "[ . 1 . 2]" 1
251 1 41 ILE HA 1 41 ILE HG13 4.200 . 4.620 2.930 2.852 3.014 . 0 0 "[ . 1 . 2]" 1
252 1 18 LEU MD2 1 54 PHE H 4.610 . 5.070 3.895 2.987 5.119 0.049 15 0 "[ . 1 . 2]" 1
253 1 42 LEU MD2 1 55 ALA HA 4.810 . 5.290 4.768 2.851 5.591 0.301 18 0 "[ . 1 . 2]" 1
254 1 42 LEU HA 1 42 LEU MD2 3.920 . 4.310 3.068 2.087 3.718 . 0 0 "[ . 1 . 2]" 1
255 1 24 GLU HG3 1 42 LEU MD2 4.310 . 4.740 2.980 2.055 4.509 . 0 0 "[ . 1 . 2]" 1
256 1 24 GLU HG2 1 42 LEU MD2 4.310 . 4.740 3.095 2.110 4.818 0.078 15 0 "[ . 1 . 2]" 1
257 1 24 GLU HG2 1 42 LEU MD1 4.310 . 4.740 3.135 2.100 4.421 . 0 0 "[ . 1 . 2]" 1
258 1 24 GLU HG3 1 42 LEU MD1 4.310 . 4.740 3.181 2.065 4.867 0.127 2 0 "[ . 1 . 2]" 1
259 1 24 GLU HA 1 42 LEU MD1 4.060 . 4.470 3.594 2.422 4.493 0.023 2 0 "[ . 1 . 2]" 1
260 1 42 LEU HA 1 42 LEU MD1 3.920 . 4.310 2.673 2.136 4.101 . 0 0 "[ . 1 . 2]" 1
261 1 41 ILE MG 1 43 SER HA 4.870 . 5.360 3.982 3.650 4.398 . 0 0 "[ . 1 . 2]" 1
262 1 42 LEU HA 1 43 SER HB2 5.140 . 5.650 4.737 4.298 5.735 0.085 12 0 "[ . 1 . 2]" 1
263 1 42 LEU HA 1 43 SER HB3 5.140 . 5.650 5.143 4.512 5.757 0.107 14 0 "[ . 1 . 2]" 1
264 1 43 SER H 1 43 SER HB3 4.150 . 4.570 3.028 2.394 3.621 . 0 0 "[ . 1 . 2]" 1
265 1 43 SER H 1 43 SER HB2 4.150 . 4.570 2.620 2.184 3.597 . 0 0 "[ . 1 . 2]" 1
266 1 43 SER HB3 1 54 PHE QE 4.770 . 5.250 3.417 2.345 5.179 . 0 0 "[ . 1 . 2]" 1
267 1 43 SER HB2 1 54 PHE QE 4.770 . 5.250 3.364 2.315 5.316 0.066 13 0 "[ . 1 . 2]" 1
268 1 47 ASN HB3 1 48 THR H 4.690 . 5.160 3.162 2.487 3.630 . 0 0 "[ . 1 . 2]" 1
269 1 47 ASN HB2 1 48 THR H 4.690 . 5.160 3.088 2.104 3.863 . 0 0 "[ . 1 . 2]" 1
270 1 48 THR HA 1 48 THR MG 3.420 . 3.760 2.932 2.411 3.197 . 0 0 "[ . 1 . 2]" 1
271 1 48 THR MG 1 49 GLY HA3 4.990 . 5.490 4.518 2.969 5.563 0.073 2 0 "[ . 1 . 2]" 1
272 1 48 THR MG 1 49 GLY HA2 4.990 . 5.490 4.432 3.493 5.734 0.244 13 0 "[ . 1 . 2]" 1
273 1 18 LEU HG 1 53 GLY HA3 6.000 . 6.600 4.974 2.951 6.814 0.214 2 0 "[ . 1 . 2]" 1
274 1 18 LEU HG 1 53 GLY HA2 6.000 . 6.600 4.178 2.485 6.276 . 0 0 "[ . 1 . 2]" 1
275 1 15 ILE HB 1 54 PHE HA 5.860 . 6.450 4.738 3.714 5.681 . 0 0 "[ . 1 . 2]" 1
276 1 18 LEU HG 1 54 PHE HA 6.000 . 6.600 5.086 3.652 6.637 0.037 7 0 "[ . 1 . 2]" 1
277 1 54 PHE HB2 1 55 ALA H 5.000 . 5.500 2.919 2.519 3.759 . 0 0 "[ . 1 . 2]" 1
278 1 54 PHE HB3 1 55 ALA H 5.000 . 5.500 3.738 2.795 4.150 . 0 0 "[ . 1 . 2]" 1
279 1 42 LEU HA 1 55 ALA HA 4.450 . 4.890 3.084 2.346 3.951 . 0 0 "[ . 1 . 2]" 1
280 1 42 LEU MD1 1 55 ALA HA 4.810 . 5.290 4.238 3.446 5.683 0.393 15 0 "[ . 1 . 2]" 1
281 1 15 ILE MD 1 55 ALA MB 3.910 . 4.300 3.247 2.689 4.041 . 0 0 "[ . 1 . 2]" 1
282 1 55 ALA MB 1 56 TYR H 3.470 . 3.820 2.536 2.324 2.889 . 0 0 "[ . 1 . 2]" 1
283 1 15 ILE H 1 55 ALA MB 4.670 . 5.140 4.225 3.504 4.903 . 0 0 "[ . 1 . 2]" 1
284 1 43 SER H 1 55 ALA MB 3.880 . 4.270 3.662 3.082 4.419 0.149 11 0 "[ . 1 . 2]" 1
285 1 42 LEU H 1 55 ALA MB 4.380 . 4.820 4.740 4.211 5.068 0.248 4 0 "[ . 1 . 2]" 1
286 1 54 PHE HA 1 55 ALA MB 4.360 . 4.800 3.863 3.818 3.927 . 0 0 "[ . 1 . 2]" 1
287 1 55 ALA MB 1 56 TYR HA 4.630 . 5.090 4.083 3.972 4.164 . 0 0 "[ . 1 . 2]" 1
288 1 41 ILE MG 1 56 TYR HA 5.530 . 6.080 5.858 5.463 6.097 0.017 7 0 "[ . 1 . 2]" 1
289 1 37 PRO HG2 1 57 LEU MD2 4.990 . 5.490 3.271 2.204 4.029 . 0 0 "[ . 1 . 2]" 1
290 1 37 PRO HB2 1 57 LEU MD2 4.810 . 5.290 3.760 2.696 4.342 . 0 0 "[ . 1 . 2]" 1
291 1 37 PRO HB3 1 57 LEU MD2 4.810 . 5.290 2.914 2.043 4.060 . 0 0 "[ . 1 . 2]" 1
292 1 13 ILE MD 1 57 LEU MD2 4.160 . 4.580 2.568 1.986 3.524 . 0 0 "[ . 1 . 2]" 1
293 1 27 ILE MG 1 57 LEU MD2 4.650 . 5.120 3.273 1.996 4.780 . 0 0 "[ . 1 . 2]" 1
294 1 31 PHE HB3 1 57 LEU MD2 5.920 . 6.510 3.278 2.402 4.271 . 0 0 "[ . 1 . 2]" 1
295 1 57 LEU MD2 1 58 LYS HA 6.000 . 6.600 5.054 3.412 6.375 . 0 0 "[ . 1 . 2]" 1
296 1 57 LEU HA 1 57 LEU MD2 4.320 . 4.750 3.512 1.993 4.108 . 0 0 "[ . 1 . 2]" 1
297 1 57 LEU MD2 1 58 LYS H 5.330 . 5.860 3.867 2.029 5.095 . 0 0 "[ . 1 . 2]" 1
298 1 31 PHE QD 1 57 LEU MD2 4.250 . 4.680 3.059 2.308 4.274 . 0 0 "[ . 1 . 2]" 1
299 1 31 PHE QE 1 57 LEU MD2 4.870 . 5.360 3.665 2.830 5.016 . 0 0 "[ . 1 . 2]" 1
300 1 37 PRO HG2 1 57 LEU MD1 4.990 . 5.490 3.590 2.138 5.263 . 0 0 "[ . 1 . 2]" 1
301 1 37 PRO HB3 1 57 LEU MD1 4.810 . 5.290 3.628 2.473 4.443 . 0 0 "[ . 1 . 2]" 1
302 1 31 PHE HB3 1 57 LEU MD1 5.920 . 6.510 4.050 2.453 5.171 . 0 0 "[ . 1 . 2]" 1
303 1 31 PHE HB2 1 57 LEU MD1 5.920 . 6.510 3.863 2.389 4.933 . 0 0 "[ . 1 . 2]" 1
304 1 57 LEU HA 1 57 LEU MD1 4.320 . 4.750 2.958 2.250 3.751 . 0 0 "[ . 1 . 2]" 1
305 1 57 LEU MD1 1 58 LYS HA 6.000 . 6.600 5.388 3.128 6.180 . 0 0 "[ . 1 . 2]" 1
306 1 31 PHE QE 1 57 LEU MD1 4.870 . 5.360 3.768 2.528 4.575 . 0 0 "[ . 1 . 2]" 1
307 1 57 LEU MD1 1 58 LYS H 5.330 . 5.860 3.978 3.324 4.804 . 0 0 "[ . 1 . 2]" 1
308 1 60 GLU HA 1 60 GLU HG2 4.090 . 4.500 3.061 2.331 3.697 . 0 0 "[ . 1 . 2]" 1
309 1 60 GLU HA 1 60 GLU HG3 4.090 . 4.500 2.896 2.312 3.786 . 0 0 "[ . 1 . 2]" 1
310 1 38 VAL MG2 1 60 GLU HG2 5.600 . 6.160 4.995 3.167 6.217 0.057 1 0 "[ . 1 . 2]" 1
311 1 38 VAL MG2 1 60 GLU HG3 5.600 . 6.160 4.781 3.150 6.196 0.036 14 0 "[ . 1 . 2]" 1
312 1 38 VAL MG1 1 60 GLU HG2 5.600 . 6.160 4.076 2.373 5.652 . 0 0 "[ . 1 . 2]" 1
313 1 38 VAL MG1 1 60 GLU HG3 5.600 . 6.160 3.900 2.200 5.740 . 0 0 "[ . 1 . 2]" 1
314 1 60 GLU H 1 60 GLU HG2 5.280 . 5.810 3.893 2.211 4.655 . 0 0 "[ . 1 . 2]" 1
315 1 60 GLU H 1 60 GLU HG3 5.280 . 5.810 3.918 2.277 4.622 . 0 0 "[ . 1 . 2]" 1
316 1 60 GLU HG2 1 61 ASP H 6.000 . 6.600 4.218 2.393 5.063 . 0 0 "[ . 1 . 2]" 1
317 1 60 GLU HG3 1 61 ASP H 6.000 . 6.600 4.413 3.316 4.935 . 0 0 "[ . 1 . 2]" 1
318 1 38 VAL MG2 1 60 GLU HA 4.240 . 4.660 4.114 3.586 4.816 0.156 16 0 "[ . 1 . 2]" 1
319 1 13 ILE HA 1 65 THR MG 5.010 . 5.510 4.651 3.763 5.607 0.097 14 0 "[ . 1 . 2]" 1
320 1 59 TYR HA 1 65 THR MG 5.790 . 6.370 5.420 4.293 6.402 0.032 13 0 "[ . 1 . 2]" 1
321 1 65 THR MG 1 66 ILE H 3.980 . 4.380 3.819 3.675 3.950 . 0 0 "[ . 1 . 2]" 1
322 1 65 THR H 1 65 THR MG 3.970 . 4.370 1.979 1.769 2.212 0.031 9 0 "[ . 1 . 2]" 1
323 1 65 THR MG 1 86 HIS HE1 6.000 . 6.600 4.535 3.626 6.164 . 0 0 "[ . 1 . 2]" 1
324 1 59 TYR H 1 65 THR MG 4.520 . 4.970 4.430 3.899 4.776 . 0 0 "[ . 1 . 2]" 1
325 1 67 LEU HA 2 10 PHE HZ 4.900 . 5.390 5.403 4.691 5.711 0.321 16 0 "[ . 1 . 2]" 1
326 1 67 LEU H 1 67 LEU MD2 4.190 . 4.610 3.843 3.541 4.037 . 0 0 "[ . 1 . 2]" 1
327 1 67 LEU MD2 1 68 ALA H 5.000 . 5.500 4.622 4.447 4.794 . 0 0 "[ . 1 . 2]" 1
328 1 67 LEU MD2 2 12 ILE H 4.200 . 4.620 4.604 4.086 4.985 0.365 19 0 "[ . 1 . 2]" 1
329 1 34 TYR QD 1 67 LEU MD2 4.440 . 4.880 3.555 2.527 4.942 0.062 16 0 "[ . 1 . 2]" 1
330 1 67 LEU MD1 2 10 PHE QE 3.820 . 4.200 3.778 2.883 4.306 0.106 18 0 "[ . 1 . 2]" 1
331 1 66 ILE HA 1 69 VAL HB 4.700 . 5.170 3.258 2.369 5.256 0.086 16 0 "[ . 1 . 2]" 1
332 1 63 ARG HA 1 66 ILE MD 3.330 . 3.660 2.615 2.269 3.650 . 0 0 "[ . 1 . 2]" 1
333 1 66 ILE HB 1 66 ILE MD 3.410 . 3.750 2.275 2.222 2.330 . 0 0 "[ . 1 . 2]" 1
334 1 66 ILE MD 1 67 LEU H 4.340 . 4.770 4.449 4.328 4.809 0.039 20 0 "[ . 1 . 2]" 1
335 1 66 ILE MD 1 86 HIS HE1 4.560 . 5.020 4.763 4.008 5.106 0.086 18 0 "[ . 1 . 2]" 1
336 1 65 THR H 1 66 ILE MD 5.240 . 5.760 5.092 4.907 6.060 0.300 20 0 "[ . 1 . 2]" 1
337 1 64 SER H 1 66 ILE MD 5.560 . 6.120 5.250 4.762 6.182 0.062 20 0 "[ . 1 . 2]" 1
338 1 66 ILE MG 1 67 LEU HG 4.110 . 4.520 3.589 2.321 3.901 . 0 0 "[ . 1 . 2]" 1
339 1 66 ILE HA 1 66 ILE MG 3.400 . 3.740 2.408 2.332 3.190 . 0 0 "[ . 1 . 2]" 1
340 1 66 ILE H 1 66 ILE MG 3.870 . 4.260 3.686 2.589 3.750 . 0 0 "[ . 1 . 2]" 1
341 1 66 ILE MG 1 86 HIS HE1 5.330 . 5.860 5.275 4.756 5.738 . 0 0 "[ . 1 . 2]" 1
342 1 66 ILE MG 2 10 PHE QE 3.340 . 3.670 2.978 2.253 3.545 . 0 0 "[ . 1 . 2]" 1
343 1 66 ILE MG 1 67 LEU H 3.980 . 4.380 3.258 1.936 3.507 . 0 0 "[ . 1 . 2]" 1
344 1 66 ILE MG 1 68 ALA H 5.230 . 5.750 5.094 4.345 5.370 . 0 0 "[ . 1 . 2]" 1
345 1 66 ILE HB 1 67 LEU H 4.850 . 5.330 2.652 2.467 3.806 . 0 0 "[ . 1 . 2]" 1
346 1 68 ALA HA 1 72 LEU MD2 4.680 . 5.150 3.599 2.351 4.595 . 0 0 "[ . 1 . 2]" 1
347 1 68 ALA HA 1 72 LEU HG 5.870 . 6.460 3.742 2.547 6.344 . 0 0 "[ . 1 . 2]" 1
348 1 68 ALA HA 1 72 LEU H 5.050 . 5.560 3.468 2.324 3.950 . 0 0 "[ . 1 . 2]" 1
349 1 68 ALA MB 1 72 LEU MD2 4.230 . 4.650 3.985 3.069 4.905 0.255 3 0 "[ . 1 . 2]" 1
350 1 68 ALA MB 1 84 ILE MG 3.590 . 3.950 2.963 2.153 4.000 0.050 9 0 "[ . 1 . 2]" 1
351 1 13 ILE MD 1 68 ALA MB 3.360 . 3.700 3.180 2.658 3.629 . 0 0 "[ . 1 . 2]" 1
352 1 68 ALA MB 1 73 ASN HB2 5.910 . 6.500 6.215 5.368 6.620 0.120 1 0 "[ . 1 . 2]" 1
353 1 65 THR HA 1 68 ALA MB 4.140 . 4.550 2.948 2.504 3.406 . 0 0 "[ . 1 . 2]" 1
354 1 67 LEU HA 1 68 ALA MB 5.150 . 5.670 5.038 4.993 5.059 . 0 0 "[ . 1 . 2]" 1
355 1 34 TYR QD 1 68 ALA MB 4.510 . 4.960 3.831 3.409 4.368 . 0 0 "[ . 1 . 2]" 1
356 1 31 PHE QE 1 68 ALA MB 3.900 . 4.290 2.349 2.155 2.774 . 0 0 "[ . 1 . 2]" 1
357 1 68 ALA H 1 68 ALA MB 3.460 . 3.810 2.194 2.054 2.235 . 0 0 "[ . 1 . 2]" 1
358 1 68 ALA MB 1 69 VAL H 3.830 . 4.210 2.467 2.082 2.784 . 0 0 "[ . 1 . 2]" 1
359 1 31 PHE QD 1 68 ALA MB 3.870 . 4.260 2.579 2.074 3.398 . 0 0 "[ . 1 . 2]" 1
360 1 68 ALA MB 1 72 LEU H 4.670 . 5.140 4.250 3.564 4.527 . 0 0 "[ . 1 . 2]" 1
361 1 31 PHE HA 1 68 ALA MB 4.860 . 5.350 3.992 3.210 4.928 . 0 0 "[ . 1 . 2]" 1
362 1 69 VAL HA 1 84 ILE HB 4.510 . 4.960 2.575 2.292 3.288 . 0 0 "[ . 1 . 2]" 1
363 1 69 VAL MG2 1 84 ILE HB 4.210 . 4.630 3.120 2.266 4.806 0.176 16 0 "[ . 1 . 2]" 1
364 1 69 VAL HA 1 69 VAL MG2 3.540 . 3.890 2.509 2.277 3.208 . 0 0 "[ . 1 . 2]" 1
365 1 66 ILE HA 1 69 VAL MG2 4.300 . 4.730 2.988 2.130 4.512 . 0 0 "[ . 1 . 2]" 1
366 1 69 VAL MG2 1 86 HIS HD2 4.600 . 5.060 3.794 2.738 5.038 . 0 0 "[ . 1 . 2]" 1
367 1 69 VAL H 1 69 VAL MG2 3.910 . 4.300 2.251 1.849 3.675 . 0 0 "[ . 1 . 2]" 1
368 1 69 VAL MG2 1 86 HIS H 5.460 . 6.010 4.855 4.129 6.130 0.120 8 0 "[ . 1 . 2]" 1
369 1 69 VAL MG2 1 85 ASP H 5.880 . 6.470 4.752 4.027 6.642 0.172 19 0 "[ . 1 . 2]" 1
370 1 69 VAL MG2 1 73 ASN HB2 4.440 . 4.880 4.427 2.904 5.016 0.136 12 0 "[ . 1 . 2]" 1
371 1 69 VAL MG1 1 84 ILE HB 4.210 . 4.630 2.808 2.228 4.648 0.018 18 0 "[ . 1 . 2]" 1
372 1 69 VAL MG1 1 73 ASN HB2 4.440 . 4.880 3.024 2.212 4.400 . 0 0 "[ . 1 . 2]" 1
373 1 69 VAL HA 1 69 VAL MG1 3.540 . 3.890 2.449 2.357 3.175 . 0 0 "[ . 1 . 2]" 1
374 1 66 ILE HA 1 69 VAL MG1 4.300 . 4.730 3.835 2.022 4.529 . 0 0 "[ . 1 . 2]" 1
375 1 69 VAL H 1 69 VAL MG1 3.910 . 4.300 3.371 2.085 3.750 . 0 0 "[ . 1 . 2]" 1
376 1 69 VAL MG1 1 86 HIS H 5.460 . 6.010 5.146 4.205 5.929 . 0 0 "[ . 1 . 2]" 1
377 1 69 VAL MG1 1 85 ASP H 5.880 . 6.470 5.165 3.826 6.540 0.070 18 0 "[ . 1 . 2]" 1
378 1 31 PHE QE 1 84 ILE MD 3.280 . 3.610 2.860 2.255 3.563 . 0 0 "[ . 1 . 2]" 1
379 1 83 LYS H 1 84 ILE MD 3.740 . 4.110 3.894 3.287 4.518 0.408 9 0 "[ . 1 . 2]" 1
380 1 69 VAL H 1 84 ILE MD 5.180 . 5.700 5.180 4.499 5.581 . 0 0 "[ . 1 . 2]" 1
381 1 84 ILE H 1 84 ILE MD 3.740 . 4.110 3.230 2.224 3.896 . 0 0 "[ . 1 . 2]" 1
382 1 84 ILE HA 1 84 ILE MD 3.830 . 4.210 2.514 2.130 3.865 . 0 0 "[ . 1 . 2]" 1
383 1 83 LYS HA 1 84 ILE MD 4.260 . 4.690 4.141 2.829 4.909 0.219 9 0 "[ . 1 . 2]" 1
384 1 72 LEU HA 1 84 ILE MD 4.820 . 5.300 4.889 4.145 5.350 0.050 13 0 "[ . 1 . 2]" 1
385 1 73 ASN HA 1 84 ILE MD 4.020 . 4.420 4.219 3.002 4.672 0.252 4 0 "[ . 1 . 2]" 1
386 1 15 ILE HA 1 84 ILE MD 3.920 . 4.310 3.380 2.747 4.476 0.166 20 0 "[ . 1 . 2]" 1
387 1 31 PHE HA 1 84 ILE MD 5.780 . 6.360 6.434 6.159 6.706 0.346 16 0 "[ . 1 . 2]" 1
388 1 69 VAL HA 1 84 ILE MD 4.310 . 4.740 3.785 2.582 4.747 0.007 19 0 "[ . 1 . 2]" 1
389 1 73 ASN HB2 1 84 ILE MD 4.730 . 5.200 4.782 3.368 5.462 0.262 6 0 "[ . 1 . 2]" 1
390 1 82 LEU HG 1 84 ILE MD 4.160 . 4.580 4.212 2.292 4.926 0.346 7 0 "[ . 1 . 2]" 1
391 1 68 ALA MB 1 84 ILE MD 3.350 . 3.690 3.547 3.197 3.887 0.197 20 0 "[ . 1 . 2]" 1
392 1 15 ILE MG 1 84 ILE MD 3.080 . 3.390 2.888 2.441 3.447 0.057 20 0 "[ . 1 . 2]" 1
393 1 72 LEU MD1 1 84 ILE MD 4.440 . 4.880 3.579 2.535 5.120 0.240 2 0 "[ . 1 . 2]" 1
394 1 72 LEU MD2 1 84 ILE MD 4.440 . 4.880 4.324 3.311 4.840 . 0 0 "[ . 1 . 2]" 1
395 1 15 ILE MD 1 84 ILE MD 3.910 . 4.300 3.769 3.331 4.433 0.133 15 0 "[ . 1 . 2]" 1
396 1 15 ILE HA 1 84 ILE HA 4.870 . 5.360 3.087 2.444 3.440 . 0 0 "[ . 1 . 2]" 1
397 1 13 ILE HB 1 84 ILE MG 3.500 . 3.850 3.387 2.329 4.055 0.205 3 0 "[ . 1 . 2]" 1
398 1 15 ILE MD 1 84 ILE MG 4.120 . 4.530 4.138 3.572 4.675 0.145 2 0 "[ . 1 . 2]" 1
399 1 69 VAL HA 1 84 ILE MG 3.580 . 3.940 2.641 2.210 3.248 . 0 0 "[ . 1 . 2]" 1
400 1 73 ASN HB2 1 84 ILE MG 4.580 . 5.040 4.699 3.962 5.089 0.049 20 0 "[ . 1 . 2]" 1
401 1 84 ILE MG 1 85 ASP HB3 5.190 . 5.710 5.227 4.713 5.820 0.110 12 0 "[ . 1 . 2]" 1
402 1 73 ASN HA 1 84 ILE MG 5.240 . 5.760 5.284 4.366 5.888 0.128 20 0 "[ . 1 . 2]" 1
403 1 15 ILE HA 1 84 ILE MG 5.000 . 5.500 4.002 2.903 4.653 . 0 0 "[ . 1 . 2]" 1
404 1 84 ILE MG 1 86 HIS HA 4.660 . 5.130 4.971 4.604 5.279 0.149 6 0 "[ . 1 . 2]" 1
405 1 84 ILE MG 1 85 ASP HA 4.150 . 4.570 3.767 3.311 4.079 . 0 0 "[ . 1 . 2]" 1
406 1 84 ILE MG 1 86 HIS HD2 5.910 . 6.500 4.544 3.462 6.257 . 0 0 "[ . 1 . 2]" 1
407 1 69 VAL H 1 84 ILE MG 4.200 . 4.620 3.605 3.147 4.482 . 0 0 "[ . 1 . 2]" 1
408 1 84 ILE H 1 84 ILE MG 4.060 . 4.470 3.854 3.810 3.918 . 0 0 "[ . 1 . 2]" 1
409 1 84 ILE MG 1 85 ASP H 3.690 . 4.060 2.691 2.182 3.087 . 0 0 "[ . 1 . 2]" 1
410 1 14 TYR H 1 84 ILE MG 4.370 . 4.810 4.270 3.659 4.801 . 0 0 "[ . 1 . 2]" 1
411 1 13 ILE H 1 84 ILE MG 5.520 . 6.070 5.944 5.373 6.228 0.158 12 0 "[ . 1 . 2]" 1
412 1 84 ILE MG 1 85 ASP HB2 5.190 . 5.710 4.960 4.558 5.293 . 0 0 "[ . 1 . 2]" 1
413 1 69 VAL HB 1 84 ILE MG 4.310 . 4.740 4.132 2.729 4.620 . 0 0 "[ . 1 . 2]" 1
414 1 68 ALA HA 1 84 ILE MD 4.610 . 5.070 5.201 4.889 5.494 0.424 11 0 "[ . 1 . 2]" 1
415 1 77 ILE HB 1 82 LEU MD2 3.940 . 4.330 3.488 2.079 4.416 0.086 7 0 "[ . 1 . 2]" 1
416 1 82 LEU HA 1 82 LEU MD2 4.160 . 4.580 3.699 2.285 4.137 . 0 0 "[ . 1 . 2]" 1
417 1 72 LEU HA 1 82 LEU MD2 4.280 . 4.710 4.292 3.600 4.806 0.096 7 0 "[ . 1 . 2]" 1
418 1 82 LEU MD2 1 83 LYS H 4.350 . 4.790 4.356 2.605 4.831 0.041 2 0 "[ . 1 . 2]" 1
419 1 82 LEU H 1 82 LEU MD2 4.340 . 4.770 3.565 1.762 4.274 0.038 20 0 "[ . 1 . 2]" 1
420 1 77 ILE HB 1 82 LEU MD1 3.940 . 4.330 3.214 2.035 4.479 0.149 4 0 "[ . 1 . 2]" 1
421 1 82 LEU HA 1 82 LEU MD1 4.160 . 4.580 3.268 2.316 4.158 . 0 0 "[ . 1 . 2]" 1
422 1 72 LEU HA 1 82 LEU MD1 4.280 . 4.710 3.967 2.794 5.078 0.368 19 0 "[ . 1 . 2]" 1
423 1 67 LEU MD1 2 10 PHE QD 3.720 . 4.090 2.707 2.142 3.241 . 0 0 "[ . 1 . 2]" 1
424 1 67 LEU MD1 2 12 ILE H 4.590 . 5.050 3.729 2.996 5.254 0.204 7 0 "[ . 1 . 2]" 1
425 1 82 LEU H 1 82 LEU MD1 4.340 . 4.770 2.351 1.792 3.727 0.008 15 0 "[ . 1 . 2]" 1
426 1 67 LEU MD1 2 12 ILE MD 3.490 . 3.840 2.276 1.828 3.028 . 0 0 "[ . 1 . 2]" 1
427 1 72 LEU MD1 1 77 ILE MD 4.350 . 4.790 3.444 2.240 4.965 0.175 19 0 "[ . 1 . 2]" 1
428 1 72 LEU MD2 1 77 ILE MD 4.350 . 4.790 3.701 2.542 4.766 . 0 0 "[ . 1 . 2]" 1
429 1 77 ILE HB 1 77 ILE MD 3.350 . 3.690 2.282 2.202 2.378 . 0 0 "[ . 1 . 2]" 1
430 1 77 ILE MD 1 82 LEU HG 4.170 . 4.590 4.036 2.827 4.944 0.354 5 0 "[ . 1 . 2]" 1
431 1 72 LEU HA 1 77 ILE MD 4.630 . 5.090 4.872 4.137 5.343 0.253 2 0 "[ . 1 . 2]" 1
432 1 77 ILE HA 1 77 ILE MD 3.840 . 4.220 3.669 2.516 3.818 . 0 0 "[ . 1 . 2]" 1
433 1 75 PHE QD 1 77 ILE MD 3.710 . 4.080 2.518 2.070 3.452 . 0 0 "[ . 1 . 2]" 1
434 1 75 PHE QE 1 77 ILE MD 3.640 . 4.000 2.542 2.158 3.276 . 0 0 "[ . 1 . 2]" 1
435 1 31 PHE QD 1 77 ILE MD 5.440 . 5.980 5.973 5.678 6.170 0.190 9 0 "[ . 1 . 2]" 1
436 1 77 ILE HG13 1 77 ILE MG 3.250 . 3.580 3.165 2.725 3.204 . 0 0 "[ . 1 . 2]" 1
437 1 77 ILE HG12 1 77 ILE MG 3.250 . 3.580 2.270 2.164 2.373 . 0 0 "[ . 1 . 2]" 1
438 1 77 ILE MG 1 82 LEU HG 4.540 . 4.990 3.715 2.059 5.179 0.189 10 0 "[ . 1 . 2]" 1
439 1 77 ILE HA 1 77 ILE MG 3.400 . 3.740 2.839 2.418 3.198 . 0 0 "[ . 1 . 2]" 1
440 1 18 LEU HA 1 77 ILE MG 4.430 . 4.870 4.731 3.993 5.132 0.262 6 0 "[ . 1 . 2]" 1
441 1 75 PHE QD 1 77 ILE MG 4.720 . 5.190 4.297 3.479 5.045 . 0 0 "[ . 1 . 2]" 1
442 1 75 PHE QE 1 77 ILE MG 4.830 . 5.310 4.401 3.943 5.148 . 0 0 "[ . 1 . 2]" 1
443 1 77 ILE H 1 77 ILE MG 4.080 . 4.490 3.096 2.223 3.836 . 0 0 "[ . 1 . 2]" 1
444 1 19 ASN H 1 77 ILE MG 4.630 . 5.090 4.319 3.775 5.013 . 0 0 "[ . 1 . 2]" 1
445 1 77 ILE MG 1 82 LEU H 5.110 . 5.620 4.500 2.234 5.844 0.224 9 0 "[ . 1 . 2]" 1
446 1 75 PHE QE 1 77 ILE HG13 4.330 . 4.760 2.772 2.303 3.756 . 0 0 "[ . 1 . 2]" 1
447 1 75 PHE QE 1 77 ILE HG12 4.330 . 4.760 3.487 2.294 4.881 0.121 16 0 "[ . 1 . 2]" 1
448 1 75 PHE QD 1 77 ILE HG12 4.650 . 5.120 4.322 3.352 5.157 0.037 20 0 "[ . 1 . 2]" 1
449 1 31 PHE HA 1 72 LEU MD2 5.020 . 5.520 4.501 3.461 5.159 . 0 0 "[ . 1 . 2]" 1
450 1 34 TYR QE 1 72 LEU MD2 4.100 . 4.510 2.723 2.234 3.665 . 0 0 "[ . 1 . 2]" 1
451 1 72 LEU H 1 72 LEU MD2 4.380 . 4.820 2.965 1.905 4.240 . 0 0 "[ . 1 . 2]" 1
452 1 31 PHE QD 1 72 LEU MD2 4.940 . 5.430 4.846 3.637 5.476 0.046 13 0 "[ . 1 . 2]" 1
453 1 30 VAL MG1 1 72 LEU MD1 6.000 . 6.600 2.282 1.885 3.637 . 0 0 "[ . 1 . 2]" 1
454 1 68 ALA MB 1 72 LEU MD1 4.230 . 4.650 3.627 2.111 5.087 0.437 8 0 "[ . 1 . 2]" 1
455 1 68 ALA HA 1 72 LEU MD1 4.680 . 5.150 3.936 2.436 5.296 0.146 9 0 "[ . 1 . 2]" 1
456 1 34 TYR QE 1 72 LEU MD1 4.100 . 4.510 3.527 2.181 4.290 . 0 0 "[ . 1 . 2]" 1
457 1 31 PHE QD 1 72 LEU MD1 4.940 . 5.430 4.191 2.881 5.470 0.040 6 0 "[ . 1 . 2]" 1
458 1 72 LEU H 1 72 LEU MD1 4.380 . 4.820 3.752 2.665 4.199 . 0 0 "[ . 1 . 2]" 1
459 1 110 ILE HA 1 110 ILE HG12 4.110 . 4.520 3.405 2.558 3.752 . 0 0 "[ . 1 . 2]" 1
460 1 110 ILE HA 1 110 ILE HG13 4.110 . 4.520 3.349 2.313 4.282 . 0 0 "[ . 1 . 2]" 1
461 1 110 ILE HA 1 110 ILE MD 4.010 . 4.410 3.475 2.093 4.135 . 0 0 "[ . 1 . 2]" 1
462 1 110 ILE HA 1 110 ILE MG 3.310 . 3.640 2.524 2.225 3.204 . 0 0 "[ . 1 . 2]" 1
463 1 110 ILE H 1 110 ILE MG 4.530 . 4.980 2.798 1.963 3.909 . 0 0 "[ . 1 . 2]" 1
464 1 102 VAL H 1 102 VAL HB 4.010 . 4.410 2.917 2.298 3.819 . 0 0 "[ . 1 . 2]" 1
465 1 102 VAL HA 1 102 VAL MG2 3.250 . 3.580 2.620 2.256 3.196 . 0 0 "[ . 1 . 2]" 1
466 1 83 LYS HG2 1 84 ILE H 4.800 . 5.280 3.891 3.074 4.925 . 0 0 "[ . 1 . 2]" 1
467 1 83 LYS HG3 1 84 ILE H 4.800 . 5.280 3.298 2.651 4.217 . 0 0 "[ . 1 . 2]" 1
468 1 83 LYS HB3 1 84 ILE H 4.650 . 5.120 4.297 4.117 4.504 . 0 0 "[ . 1 . 2]" 1
469 1 83 LYS HB2 1 84 ILE H 4.510 . 4.960 4.437 4.273 4.599 . 0 0 "[ . 1 . 2]" 1
470 1 83 LYS HD2 1 84 ILE H 5.870 . 6.460 5.046 2.951 6.050 . 0 0 "[ . 1 . 2]" 1
471 1 83 LYS HD3 1 84 ILE H 5.870 . 6.460 5.361 4.185 6.036 . 0 0 "[ . 1 . 2]" 1
472 1 83 LYS HA 1 83 LYS HD2 5.180 . 5.700 3.759 2.216 4.642 . 0 0 "[ . 1 . 2]" 1
473 1 83 LYS HA 1 83 LYS HD3 5.180 . 5.700 4.054 2.331 4.899 . 0 0 "[ . 1 . 2]" 1
474 1 83 LYS HE2 1 84 ILE H 6.000 . 6.600 5.743 4.942 6.776 0.176 19 0 "[ . 1 . 2]" 1
475 1 83 LYS HE3 1 84 ILE H 6.000 . 6.600 5.890 4.350 6.796 0.196 7 0 "[ . 1 . 2]" 1
476 1 95 LEU MD2 1 98 TYR QE 5.360 . 5.900 4.215 3.140 5.593 . 0 0 "[ . 1 . 2]" 1
477 1 95 LEU MD2 1 98 TYR QD 4.500 . 4.950 3.462 2.321 4.982 0.032 15 0 "[ . 1 . 2]" 1
478 1 106 LEU HA 1 106 LEU HG 3.690 . 4.060 2.919 2.359 3.649 . 0 0 "[ . 1 . 2]" 1
479 1 95 LEU HA 1 98 TYR QD 4.850 . 5.330 3.944 2.375 5.425 0.095 20 0 "[ . 1 . 2]" 1
480 1 54 PHE QD 1 55 ALA MB 5.020 . 5.520 4.707 4.165 5.594 0.074 1 0 "[ . 1 . 2]" 1
481 1 95 LEU MD1 1 98 TYR QE 5.360 . 5.900 4.472 2.103 5.747 . 0 0 "[ . 1 . 2]" 1
482 1 50 GLU H 1 50 GLU HG2 5.000 . 5.500 3.309 2.022 5.218 . 0 0 "[ . 1 . 2]" 1
483 1 50 GLU H 1 50 GLU HG3 5.000 . 5.500 3.710 2.326 4.744 . 0 0 "[ . 1 . 2]" 1
484 1 48 THR H 1 49 GLY HA2 5.360 . 5.900 4.234 4.012 4.938 . 0 0 "[ . 1 . 2]" 1
485 1 48 THR H 1 49 GLY HA3 5.360 . 5.900 4.607 4.339 5.073 . 0 0 "[ . 1 . 2]" 1
486 1 77 ILE H 1 81 ALA HA 4.580 . 5.040 2.932 2.025 3.427 . 0 0 "[ . 1 . 2]" 1
487 1 75 PHE H 1 81 ALA MB 4.460 . 4.910 4.225 3.622 4.899 . 0 0 "[ . 1 . 2]" 1
488 1 77 ILE H 1 81 ALA MB 4.270 . 4.700 4.309 3.428 4.812 0.112 18 0 "[ . 1 . 2]" 1
489 1 76 LYS H 1 81 ALA MB 4.590 . 5.050 4.537 3.730 5.122 0.072 18 0 "[ . 1 . 2]" 1
490 1 87 THR H 1 87 THR MG 3.760 . 4.140 2.505 1.954 3.931 . 0 0 "[ . 1 . 2]" 1
491 1 13 ILE HA 1 87 THR MG 3.890 . 4.280 3.075 2.257 4.603 0.323 6 0 "[ . 1 . 2]" 1
492 1 56 TYR QD 1 87 THR MG 3.240 . 3.560 2.521 2.077 3.103 . 0 0 "[ . 1 . 2]" 1
493 1 56 TYR HA 1 87 THR MG 3.740 . 4.090 4.239 4.086 4.433 0.343 4 0 "[ . 1 . 2]" 1
494 1 87 THR MG 1 89 TYR QD 3.240 . 3.560 3.498 2.435 3.927 0.367 9 0 "[ . 1 . 2]" 1
495 1 12 TYR QD 1 87 THR MG 4.990 . 5.490 4.036 3.620 4.952 . 0 0 "[ . 1 . 2]" 1
496 1 14 TYR H 1 87 THR MG 3.980 . 4.380 2.948 2.238 4.325 . 0 0 "[ . 1 . 2]" 1
497 1 14 TYR QD 1 85 ASP HB2 4.540 . 4.990 3.477 2.321 4.615 . 0 0 "[ . 1 . 2]" 1
498 1 85 ASP HB2 1 86 HIS H 4.670 . 5.140 4.053 3.724 4.189 . 0 0 "[ . 1 . 2]" 1
499 1 85 ASP HB3 1 86 HIS H 4.670 . 5.140 3.501 2.588 3.977 . 0 0 "[ . 1 . 2]" 1
500 1 13 ILE MG 1 85 ASP HB3 5.620 . 6.180 5.551 4.990 6.053 . 0 0 "[ . 1 . 2]" 1
501 1 13 ILE MG 1 85 ASP HB2 5.620 . 6.180 5.884 5.234 6.470 0.290 5 0 "[ . 1 . 2]" 1
502 1 13 ILE MG 1 85 ASP HA 5.000 . 5.500 4.595 4.179 4.931 . 0 0 "[ . 1 . 2]" 1
503 1 58 LYS HA 1 58 LYS HD2 4.720 . 5.190 4.244 3.484 4.681 . 0 0 "[ . 1 . 2]" 1
504 1 58 LYS HA 1 58 LYS HD3 4.720 . 5.190 4.358 2.670 5.444 0.254 2 0 "[ . 1 . 2]" 1
505 1 12 TYR QE 1 58 LYS HD2 5.090 . 5.600 3.589 2.671 5.071 . 0 0 "[ . 1 . 2]" 1
506 1 103 LYS HA 1 103 LYS HG2 3.920 . 4.310 2.969 2.275 3.687 . 0 0 "[ . 1 . 2]" 1
507 1 103 LYS HA 1 103 LYS HG3 3.920 . 4.310 2.873 2.342 3.762 . 0 0 "[ . 1 . 2]" 1
508 1 64 SER HA 1 67 LEU MD1 3.900 . 4.290 2.595 2.204 2.916 . 0 0 "[ . 1 . 2]" 1
509 1 67 LEU HA 1 67 LEU MD2 3.710 . 4.080 2.341 2.153 3.505 . 0 0 "[ . 1 . 2]" 1
510 1 34 TYR QD 1 67 LEU MD1 3.990 . 4.390 3.793 2.784 4.568 0.178 7 0 "[ . 1 . 2]" 1
511 1 82 LEU MD1 1 83 LYS H 4.350 . 4.790 4.203 3.709 4.872 0.082 7 0 "[ . 1 . 2]" 1
512 1 80 ARG HD3 1 81 ALA H 5.040 . 5.540 4.979 3.993 5.580 0.040 12 0 "[ . 1 . 2]" 1
513 1 80 ARG H 1 80 ARG HD3 4.720 . 5.190 4.650 2.948 5.417 0.227 17 0 "[ . 1 . 2]" 1
514 1 20 ARG HD2 1 21 GLU H 4.850 . 5.330 5.023 4.131 5.729 0.399 15 0 "[ . 1 . 2]" 1
515 1 20 ARG HD3 1 21 GLU H 4.850 . 5.330 4.897 3.711 5.270 . 0 0 "[ . 1 . 2]" 1
516 1 24 GLU HG3 1 27 ILE MD 4.850 . 5.330 4.161 3.365 5.345 0.015 2 0 "[ . 1 . 2]" 1
517 1 24 GLU HG2 1 27 ILE MD 4.850 . 5.330 4.094 3.394 5.128 . 0 0 "[ . 1 . 2]" 1
518 1 24 GLU HA 1 27 ILE HB 4.290 . 4.720 2.874 2.505 3.116 . 0 0 "[ . 1 . 2]" 1
519 1 22 LEU MD1 1 26 ASP HB2 6.160 . 6.780 4.392 2.350 6.155 . 0 0 "[ . 1 . 2]" 1
520 1 32 SER HA 1 37 PRO HG2 5.320 . 5.850 5.875 5.724 6.057 0.207 16 0 "[ . 1 . 2]" 1
521 1 32 SER HA 1 37 PRO HG3 5.320 . 5.850 5.934 5.758 6.019 0.169 11 0 "[ . 1 . 2]" 1
522 1 41 ILE MD 1 91 PRO HB2 4.400 . 4.840 4.359 3.311 4.960 0.120 12 0 "[ . 1 . 2]" 1
523 1 41 ILE MD 1 91 PRO HB3 4.400 . 4.840 3.357 2.422 4.087 . 0 0 "[ . 1 . 2]" 1
524 1 12 TYR QE 1 58 LYS HG2 5.120 . 5.630 4.176 2.248 5.161 . 0 0 "[ . 1 . 2]" 1
525 1 12 TYR QE 1 58 LYS HG3 5.120 . 5.630 3.443 2.612 4.205 . 0 0 "[ . 1 . 2]" 1
526 1 48 THR MG 1 50 GLU HG2 5.400 . 5.940 4.647 2.556 6.040 0.100 7 0 "[ . 1 . 2]" 1
527 1 48 THR MG 1 50 GLU HG3 5.400 . 5.940 4.772 2.577 6.218 0.278 18 0 "[ . 1 . 2]" 1
528 1 51 SER HB3 1 52 GLN H 5.810 . 6.390 3.588 2.432 4.469 . 0 0 "[ . 1 . 2]" 1
529 1 51 SER HB2 1 52 GLN H 5.810 . 6.390 3.302 1.804 4.655 . 0 0 "[ . 1 . 2]" 1
530 1 52 GLN HA 1 52 GLN HG3 4.020 . 4.420 2.983 2.357 3.713 . 0 0 "[ . 1 . 2]" 1
531 1 52 GLN HA 1 52 GLN HG2 4.020 . 4.420 2.910 2.354 3.619 . 0 0 "[ . 1 . 2]" 1
532 1 38 VAL MG2 1 59 TYR HA 4.780 . 5.260 3.713 2.471 4.659 . 0 0 "[ . 1 . 2]" 1
533 1 37 PRO HA 1 59 TYR HA 4.470 . 4.920 2.589 2.277 3.350 . 0 0 "[ . 1 . 2]" 1
534 1 11 ALA MB 1 62 GLN HA 4.250 . 4.680 3.356 2.185 4.794 0.114 4 0 "[ . 1 . 2]" 1
535 1 62 GLN HA 1 62 GLN HG3 4.110 . 4.520 3.141 2.351 4.246 . 0 0 "[ . 1 . 2]" 1
536 1 62 GLN HA 1 62 GLN HG2 4.110 . 4.520 3.083 2.262 3.728 . 0 0 "[ . 1 . 2]" 1
537 1 63 ARG HA 1 66 ILE H 4.750 . 5.220 3.592 3.332 3.870 . 0 0 "[ . 1 . 2]" 1
538 1 80 ARG HB2 1 80 ARG HD3 4.110 . 4.520 3.025 2.285 4.266 . 0 0 "[ . 1 . 2]" 1
539 1 80 ARG HB3 1 80 ARG HD3 4.110 . 4.520 3.064 2.448 4.169 . 0 0 "[ . 1 . 2]" 1
540 1 80 ARG HB3 1 80 ARG HD2 4.110 . 4.520 3.270 2.363 4.264 . 0 0 "[ . 1 . 2]" 1
541 1 80 ARG HB2 1 80 ARG HD2 4.110 . 4.520 2.936 2.355 3.722 . 0 0 "[ . 1 . 2]" 1
542 1 80 ARG HD2 1 81 ALA H 5.040 . 5.540 5.019 3.592 5.711 0.171 14 0 "[ . 1 . 2]" 1
543 1 80 ARG H 1 80 ARG HD2 4.720 . 5.190 4.337 3.235 5.220 0.030 11 0 "[ . 1 . 2]" 1
544 1 80 ARG HB3 1 81 ALA H 4.970 . 5.470 2.973 2.505 3.786 . 0 0 "[ . 1 . 2]" 1
545 1 80 ARG HB2 1 81 ALA H 4.970 . 5.470 3.872 2.287 4.318 . 0 0 "[ . 1 . 2]" 1
546 1 90 ARG H 1 90 ARG HD2 5.520 . 6.070 4.371 2.048 5.320 . 0 0 "[ . 1 . 2]" 1
547 1 90 ARG H 1 90 ARG HD3 5.520 . 6.070 4.079 1.802 5.131 . 0 0 "[ . 1 . 2]" 1
548 1 76 LYS HB3 1 77 ILE H 4.870 . 5.360 3.704 3.090 4.330 . 0 0 "[ . 1 . 2]" 1
549 1 76 LYS HB2 1 77 ILE H 4.870 . 5.360 4.320 4.165 4.575 . 0 0 "[ . 1 . 2]" 1
550 1 76 LYS H 1 76 LYS HG2 4.640 . 5.100 3.721 2.309 4.676 . 0 0 "[ . 1 . 2]" 1
551 1 76 LYS H 1 76 LYS HG3 4.640 . 5.100 3.485 2.079 4.476 . 0 0 "[ . 1 . 2]" 1
552 1 76 LYS HG3 1 77 ILE H 5.510 . 6.060 4.309 2.646 5.556 . 0 0 "[ . 1 . 2]" 1
553 1 76 LYS HG2 1 77 ILE H 5.510 . 6.060 4.242 2.875 5.393 . 0 0 "[ . 1 . 2]" 1
554 1 76 LYS H 1 76 LYS HD2 5.280 . 5.810 4.208 2.268 5.695 . 0 0 "[ . 1 . 2]" 1
555 1 76 LYS H 1 76 LYS HD3 5.280 . 5.810 4.738 2.432 5.982 0.172 5 0 "[ . 1 . 2]" 1
556 1 76 LYS H 1 76 LYS HE2 5.410 . 5.950 5.478 4.523 6.018 0.068 11 0 "[ . 1 . 2]" 1
557 1 76 LYS H 1 76 LYS HE3 5.410 . 5.950 5.037 4.457 6.041 0.091 3 0 "[ . 1 . 2]" 1
558 1 76 LYS HB3 1 76 LYS HE2 5.500 . 6.050 4.060 2.320 4.933 . 0 0 "[ . 1 . 2]" 1
559 1 76 LYS HB3 1 76 LYS HE3 5.500 . 6.050 3.837 2.229 5.525 . 0 0 "[ . 1 . 2]" 1
560 1 76 LYS HB2 1 76 LYS HE2 5.500 . 6.050 3.976 2.276 4.701 . 0 0 "[ . 1 . 2]" 1
561 1 76 LYS HB2 1 76 LYS HE3 5.500 . 6.050 3.631 2.225 4.855 . 0 0 "[ . 1 . 2]" 1
562 1 95 LEU HA 1 95 LEU HG 3.560 . 3.920 2.621 2.295 3.628 . 0 0 "[ . 1 . 2]" 1
563 1 106 LEU H 1 106 LEU HG 4.630 . 5.090 3.736 1.788 4.651 0.012 17 0 "[ . 1 . 2]" 1
564 1 7 TYR HA 1 7 TYR QD 3.620 . 3.980 2.724 2.327 3.684 . 0 0 "[ . 1 . 2]" 1
565 1 98 TYR HA 1 98 TYR QD 3.940 . 4.330 2.999 2.317 3.700 . 0 0 "[ . 1 . 2]" 1
566 1 99 TYR HA 1 99 TYR QD 3.490 . 3.840 2.757 2.544 3.552 . 0 0 "[ . 1 . 2]" 1
567 1 7 TYR HA 1 7 TYR QE 4.940 . 5.430 4.553 4.187 5.577 0.147 20 0 "[ . 1 . 2]" 1
568 1 98 TYR HA 1 98 TYR QE 5.390 . 5.930 4.812 4.315 5.609 . 0 0 "[ . 1 . 2]" 1
569 1 104 GLU HA 1 107 ASP HB2 4.040 . 4.440 3.442 2.316 4.464 0.024 20 0 "[ . 1 . 2]" 1
570 1 104 GLU HA 1 107 ASP HB3 4.040 . 4.440 3.865 2.774 4.595 0.155 9 0 "[ . 1 . 2]" 1
571 1 99 TYR QD 1 100 GLU HA 4.620 . 5.080 3.569 2.804 5.218 0.138 18 0 "[ . 1 . 2]" 1
572 1 108 ARG HA 1 108 ARG HD2 5.410 . 5.950 4.403 2.240 4.829 . 0 0 "[ . 1 . 2]" 1
573 1 108 ARG HA 1 108 ARG HD3 5.410 . 5.950 4.516 3.724 5.506 . 0 0 "[ . 1 . 2]" 1
574 1 90 ARG HA 1 91 PRO HD2 3.680 . 4.050 2.408 2.201 2.807 . 0 0 "[ . 1 . 2]" 1
575 1 90 ARG HA 1 91 PRO HD3 3.830 . 4.210 2.253 2.068 2.404 . 0 0 "[ . 1 . 2]" 1
576 1 12 TYR QE 1 91 PRO HA 4.500 . 4.950 4.828 4.058 5.143 0.193 12 0 "[ . 1 . 2]" 1
577 1 3 MET HA 1 3 MET ME 4.470 . 4.920 4.124 3.561 4.904 . 0 0 "[ . 1 . 2]" 1
578 1 28 LEU MD2 1 37 PRO HD2 5.360 . 5.900 2.317 2.152 2.577 . 0 0 "[ . 1 . 2]" 1
579 1 37 PRO HG3 1 57 LEU MD1 4.990 . 5.490 2.767 2.065 3.900 . 0 0 "[ . 1 . 2]" 1
580 1 28 LEU MD1 1 37 PRO HD2 5.360 . 5.900 5.047 4.730 5.236 . 0 0 "[ . 1 . 2]" 1
581 1 37 PRO HB2 1 57 LEU MD1 4.810 . 5.290 4.157 3.480 5.162 . 0 0 "[ . 1 . 2]" 1
582 1 37 PRO HG3 1 57 LEU MD2 4.990 . 5.490 2.337 1.986 3.166 . 0 0 "[ . 1 . 2]" 1
583 1 45 ASP HA 1 46 GLU HB2 6.000 . 6.600 5.016 4.476 5.784 . 0 0 "[ . 1 . 2]" 1
584 1 45 ASP HA 1 46 GLU HB3 6.000 . 6.600 5.247 4.514 5.743 . 0 0 "[ . 1 . 2]" 1
585 1 47 ASN H 1 48 THR MG 4.470 . 4.920 3.974 3.769 4.260 . 0 0 "[ . 1 . 2]" 1
586 1 48 THR H 1 48 THR MG 3.610 . 3.970 2.089 1.835 2.448 . 0 0 "[ . 1 . 2]" 1
587 1 48 THR MG 1 50 GLU H 4.310 . 4.740 3.339 1.779 4.787 0.047 7 0 "[ . 1 . 2]" 1
588 1 66 ILE H 1 66 ILE HG12 4.590 . 5.050 3.604 3.489 4.553 . 0 0 "[ . 1 . 2]" 1
589 1 66 ILE H 1 66 ILE HG13 4.590 . 5.050 2.287 2.111 4.162 . 0 0 "[ . 1 . 2]" 1
590 1 30 VAL HA 1 77 ILE MD 5.200 . 5.720 4.859 4.155 5.608 . 0 0 "[ . 1 . 2]" 1
591 1 77 ILE MD 2 23 ARG HA 4.500 . 4.950 4.931 4.111 5.208 0.258 17 0 "[ . 1 . 2]" 1
592 1 35 GLY HA3 2 12 ILE MG 3.910 . 4.300 3.908 2.668 4.387 0.087 14 0 "[ . 1 . 2]" 1
593 1 28 LEU MD2 2 17 ARG HD3 4.290 . 4.720 3.453 2.622 4.792 0.072 3 0 "[ . 1 . 2]" 1
594 2 17 ARG HA 2 17 ARG HD3 4.010 . 4.410 4.158 2.250 4.614 0.204 4 0 "[ . 1 . 2]" 1
595 2 17 ARG HA 2 17 ARG HD2 4.010 . 4.410 4.067 2.355 4.562 0.152 15 0 "[ . 1 . 2]" 1
596 2 17 ARG H 2 17 ARG HG3 5.290 . 5.820 4.133 2.258 4.456 . 0 0 "[ . 1 . 2]" 1
597 2 37 GLU HB2 2 38 ILE H 4.620 . 5.080 3.620 2.595 4.545 . 0 0 "[ . 1 . 2]" 1
598 2 13 MET HG3 2 14 PRO HD2 5.040 . 5.540 4.062 2.714 5.412 . 0 0 "[ . 1 . 2]" 1
599 2 12 ILE HA 2 13 MET HG2 5.460 . 6.010 4.588 3.689 5.835 . 0 0 "[ . 1 . 2]" 1
600 2 13 MET HG2 2 14 PRO HD2 5.040 . 5.540 4.402 3.361 5.181 . 0 0 "[ . 1 . 2]" 1
601 1 29 THR MG 2 19 ASP HA 4.550 . 5.010 4.568 4.180 4.817 . 0 0 "[ . 1 . 2]" 1
602 2 21 VAL MG2 2 22 HIS H 4.130 . 4.540 3.485 2.034 4.114 . 0 0 "[ . 1 . 2]" 1
603 1 67 LEU MD2 2 9 ARG HA 4.860 . 5.350 5.506 5.235 5.847 0.497 17 0 "[ . 1 . 2]" 1
604 2 9 ARG HA 2 32 PHE QE 4.740 . 5.210 5.072 4.317 5.518 0.308 14 0 "[ . 1 . 2]" 1
605 2 38 ILE HA 2 38 ILE HG12 3.770 . 4.150 3.010 2.532 3.756 . 0 0 "[ . 1 . 2]" 1
606 2 35 GLN HA 2 38 ILE HB 5.010 . 5.510 4.049 2.594 5.792 0.282 18 0 "[ . 1 . 2]" 1
607 2 38 ILE HA 2 38 ILE HG13 3.770 . 4.150 3.066 2.285 3.721 . 0 0 "[ . 1 . 2]" 1
608 2 38 ILE HG13 2 38 ILE MG 3.270 . 3.600 3.017 2.285 3.201 . 0 0 "[ . 1 . 2]" 1
609 2 38 ILE HA 2 38 ILE MG 3.140 . 3.450 2.506 2.277 3.196 . 0 0 "[ . 1 . 2]" 1
610 2 38 ILE HG12 2 38 ILE MG 3.270 . 3.600 2.432 2.174 3.199 . 0 0 "[ . 1 . 2]" 1
611 2 38 ILE H 2 38 ILE MG 4.330 . 4.760 3.222 2.170 3.978 . 0 0 "[ . 1 . 2]" 1
612 2 38 ILE HB 2 38 ILE MD 3.470 . 3.820 2.430 2.200 3.230 . 0 0 "[ . 1 . 2]" 1
613 2 35 GLN HA 2 38 ILE MD 4.390 . 4.830 3.114 2.098 5.042 0.212 20 0 "[ . 1 . 2]" 1
614 2 38 ILE HA 2 38 ILE MD 4.060 . 4.470 3.519 2.074 4.144 . 0 0 "[ . 1 . 2]" 1
615 2 34 LYS HA 2 37 GLU HB2 3.710 . 4.080 3.125 2.467 4.149 0.069 6 0 "[ . 1 . 2]" 1
616 2 34 LYS HA 2 37 GLU HB3 3.710 . 4.080 3.271 2.464 4.347 0.267 16 0 "[ . 1 . 2]" 1
617 2 33 ALA HA 2 36 ASN HB2 4.370 . 4.810 3.296 2.631 3.970 . 0 0 "[ . 1 . 2]" 1
618 2 33 ALA HA 2 36 ASN HB3 4.370 . 4.810 3.559 2.645 4.690 . 0 0 "[ . 1 . 2]" 1
619 2 35 GLN HA 2 38 ILE HG12 5.110 . 5.620 4.051 2.313 5.661 0.041 11 0 "[ . 1 . 2]" 1
620 2 35 GLN HA 2 38 ILE HG13 5.110 . 5.620 3.932 2.597 5.983 0.363 8 0 "[ . 1 . 2]" 1
621 2 32 PHE HA 2 35 GLN HB3 4.750 . 5.220 3.921 2.321 4.768 . 0 0 "[ . 1 . 2]" 1
622 2 32 PHE HA 2 35 GLN HB2 4.750 . 5.220 2.869 2.395 3.596 . 0 0 "[ . 1 . 2]" 1
623 2 35 GLN H 2 35 GLN HG3 4.410 . 4.850 3.712 2.287 4.467 . 0 0 "[ . 1 . 2]" 1
624 2 35 GLN H 2 35 GLN HG2 4.410 . 4.850 3.068 2.236 4.649 . 0 0 "[ . 1 . 2]" 1
625 2 35 GLN HA 2 35 GLN HG3 3.950 . 4.350 3.343 2.505 3.685 . 0 0 "[ . 1 . 2]" 1
626 2 35 GLN HA 2 35 GLN HG2 3.950 . 4.350 3.024 2.337 3.722 . 0 0 "[ . 1 . 2]" 1
627 2 3 LYS HB3 2 4 PRO HD2 3.890 . 4.280 2.942 2.284 4.389 0.109 18 0 "[ . 1 . 2]" 1
628 2 3 LYS HG2 2 4 PRO HD3 6.000 . 6.600 4.693 3.912 5.680 . 0 0 "[ . 1 . 2]" 1
629 2 3 LYS HG3 2 4 PRO HD3 6.000 . 6.600 4.908 3.790 5.914 . 0 0 "[ . 1 . 2]" 1
630 2 4 PRO HA 2 5 ALA MB 4.790 . 5.270 4.209 3.821 4.928 . 0 0 "[ . 1 . 2]" 1
631 2 4 PRO HB3 2 5 ALA H 4.300 . 4.730 3.616 2.477 4.656 . 0 0 "[ . 1 . 2]" 1
632 2 3 LYS HA 2 4 PRO HG2 5.290 . 5.820 4.531 4.423 4.620 . 0 0 "[ . 1 . 2]" 1
633 2 3 LYS HA 2 4 PRO HG3 5.290 . 5.820 4.448 4.286 4.553 . 0 0 "[ . 1 . 2]" 1
634 2 3 LYS HB2 2 4 PRO HD2 3.890 . 4.280 3.486 2.302 4.522 0.242 19 0 "[ . 1 . 2]" 1
635 2 3 LYS HG2 2 4 PRO HD2 5.260 . 5.790 3.923 2.539 5.169 . 0 0 "[ . 1 . 2]" 1
636 2 3 LYS HG3 2 4 PRO HD2 5.260 . 5.790 4.204 2.372 4.882 . 0 0 "[ . 1 . 2]" 1
637 2 3 LYS HA 2 4 PRO HD3 2.860 . 3.150 2.268 2.097 2.411 . 0 0 "[ . 1 . 2]" 1
638 2 3 LYS HA 2 4 PRO HD2 2.990 . 3.290 2.404 2.236 2.712 . 0 0 "[ . 1 . 2]" 1
639 2 5 ALA MB 2 6 PRO HD2 3.330 . 3.660 2.756 2.134 3.867 0.207 3 0 "[ . 1 . 2]" 1
640 2 5 ALA MB 2 6 PRO HD3 3.330 . 3.660 3.292 2.032 4.016 0.356 3 0 "[ . 1 . 2]" 1
641 2 4 PRO HB3 2 5 ALA MB 4.980 . 5.480 4.708 4.014 5.300 . 0 0 "[ . 1 . 2]" 1
642 2 6 PRO HB3 2 7 GLU H 4.400 . 4.840 3.540 2.989 3.778 . 0 0 "[ . 1 . 2]" 1
643 2 6 PRO HB2 2 7 GLU H 4.400 . 4.840 3.318 2.696 3.904 . 0 0 "[ . 1 . 2]" 1
644 2 7 GLU H 2 7 GLU HB3 4.030 . 4.430 3.318 2.535 4.088 . 0 0 "[ . 1 . 2]" 1
645 2 7 GLU H 2 7 GLU HB2 4.030 . 4.430 3.111 2.368 3.949 . 0 0 "[ . 1 . 2]" 1
646 2 7 GLU H 2 7 GLU HG2 5.340 . 5.870 3.394 2.329 5.202 . 0 0 "[ . 1 . 2]" 1
647 2 7 GLU H 2 7 GLU HG3 5.340 . 5.870 3.256 1.774 4.677 0.026 10 0 "[ . 1 . 2]" 1
648 2 8 ASN HA 2 32 PHE QE 5.520 . 6.070 4.336 2.545 5.836 . 0 0 "[ . 1 . 2]" 1
649 2 10 PHE HA 2 10 PHE QD 4.110 . 4.520 3.155 2.794 3.584 . 0 0 "[ . 1 . 2]" 1
650 2 10 PHE HA 2 11 ALA MB 4.820 . 5.300 3.948 3.764 4.069 . 0 0 "[ . 1 . 2]" 1
651 2 11 ALA MB 2 12 ILE HA 4.410 . 4.850 4.263 4.033 4.508 . 0 0 "[ . 1 . 2]" 1
652 2 11 ALA MB 2 13 MET H 5.540 . 6.090 5.121 4.967 5.306 . 0 0 "[ . 1 . 2]" 1
653 2 11 ALA MB 2 12 ILE H 3.880 . 4.270 3.659 3.345 3.724 . 0 0 "[ . 1 . 2]" 1
654 2 11 ALA H 2 11 ALA MB 3.490 . 3.840 2.431 2.231 2.793 . 0 0 "[ . 1 . 2]" 1
655 2 12 ILE HA 2 13 MET HG3 5.460 . 6.010 5.354 4.103 5.764 . 0 0 "[ . 1 . 2]" 1
656 2 12 ILE H 2 12 ILE MG 4.130 . 4.540 3.773 3.734 3.824 . 0 0 "[ . 1 . 2]" 1
657 1 35 GLY H 2 12 ILE MG 4.650 . 5.120 3.300 2.419 4.373 . 0 0 "[ . 1 . 2]" 1
658 2 10 PHE QD 2 12 ILE MG 5.900 . 6.490 5.883 5.418 6.350 . 0 0 "[ . 1 . 2]" 1
659 1 34 TYR QD 2 12 ILE MG 6.000 . 6.600 5.574 4.936 6.439 . 0 0 "[ . 1 . 2]" 1
660 1 35 GLY HA2 2 12 ILE MG 3.910 . 4.300 2.989 2.210 4.016 . 0 0 "[ . 1 . 2]" 1
661 2 10 PHE HB3 2 12 ILE MG 5.480 . 6.030 5.331 4.614 6.091 0.061 16 0 "[ . 1 . 2]" 1
662 2 10 PHE HB2 2 12 ILE MG 5.480 . 6.030 5.227 4.595 5.659 . 0 0 "[ . 1 . 2]" 1
663 2 10 PHE QD 2 12 ILE MD 3.980 . 4.380 3.544 2.846 4.238 . 0 0 "[ . 1 . 2]" 1
664 2 10 PHE H 2 12 ILE MD 5.300 . 5.830 5.696 5.224 5.960 0.130 18 0 "[ . 1 . 2]" 1
665 1 64 SER H 2 12 ILE MD 4.540 . 4.990 4.403 3.716 4.936 . 0 0 "[ . 1 . 2]" 1
666 2 12 ILE MD 2 13 MET H 5.600 . 6.160 4.704 3.701 5.315 . 0 0 "[ . 1 . 2]" 1
667 2 10 PHE HB3 2 12 ILE MD 4.340 . 4.770 3.207 2.629 4.167 . 0 0 "[ . 1 . 2]" 1
668 1 35 GLY HA3 2 12 ILE MD 4.480 . 4.930 4.296 3.538 4.986 0.056 13 0 "[ . 1 . 2]" 1
669 1 64 SER HA 2 12 ILE MD 4.580 . 5.040 3.240 2.312 4.267 . 0 0 "[ . 1 . 2]" 1
670 2 12 ILE HA 2 12 ILE MD 4.230 . 4.650 3.232 2.086 3.854 . 0 0 "[ . 1 . 2]" 1
671 1 35 GLY HA2 2 12 ILE MD 4.480 . 4.930 4.008 3.195 5.118 0.188 16 0 "[ . 1 . 2]" 1
672 2 10 PHE HB2 2 12 ILE MD 4.340 . 4.770 3.430 2.491 4.053 . 0 0 "[ . 1 . 2]" 1
673 1 67 LEU HG 2 12 ILE MD 4.360 . 4.800 4.384 3.766 5.065 0.265 15 0 "[ . 1 . 2]" 1
674 2 12 ILE MD 2 12 ILE MG 3.260 . 3.590 1.913 1.814 2.077 . 0 0 "[ . 1 . 2]" 1
675 1 63 ARG H 2 12 ILE MD 5.540 . 6.090 5.859 5.036 6.296 0.206 2 0 "[ . 1 . 2]" 1
676 1 34 TYR QD 2 12 ILE MD 5.910 . 6.500 5.736 4.570 6.685 0.185 19 0 "[ . 1 . 2]" 1
677 2 10 PHE HA 2 12 ILE MD 4.750 . 5.220 4.969 4.056 5.399 0.179 11 0 "[ . 1 . 2]" 1
678 2 13 MET ME 2 14 PRO HD3 4.820 . 5.300 5.223 4.275 5.731 0.431 18 0 "[ . 1 . 2]" 1
679 2 13 MET ME 2 14 PRO HD2 4.820 . 5.320 4.907 4.133 5.402 0.082 15 0 "[ . 1 . 2]" 1
680 2 12 ILE HA 2 13 MET ME 4.820 . 5.320 4.137 2.743 5.169 . 0 0 "[ . 1 . 2]" 1
681 2 12 ILE MG 2 13 MET ME 5.420 . 5.960 4.931 3.317 5.848 . 0 0 "[ . 1 . 2]" 1
682 2 11 ALA MB 2 13 MET ME 4.830 . 5.310 3.582 2.317 4.796 . 0 0 "[ . 1 . 2]" 1
683 2 13 MET H 2 13 MET ME 4.350 . 4.790 3.325 1.809 4.384 . 0 0 "[ . 1 . 2]" 1
684 2 12 ILE H 2 13 MET ME 4.890 . 5.380 5.153 4.442 5.526 0.146 5 0 "[ . 1 . 2]" 1
685 2 5 ALA MB 2 6 PRO HA 5.080 . 5.590 4.378 3.716 4.693 . 0 0 "[ . 1 . 2]" 1
686 2 14 PRO HG3 2 18 TRP HE3 4.590 . 5.050 4.296 3.742 4.897 . 0 0 "[ . 1 . 2]" 1
687 2 18 TRP HZ3 2 20 GLY HA3 6.000 . 6.600 5.091 4.678 5.753 . 0 0 "[ . 1 . 2]" 1
688 2 18 TRP HE3 2 20 GLY HA3 6.000 . 6.600 4.711 4.396 5.043 . 0 0 "[ . 1 . 2]" 1
689 2 18 TRP HZ2 2 20 GLY HA3 6.000 . 6.600 5.846 4.820 6.630 0.030 13 0 "[ . 1 . 2]" 1
690 1 75 PHE QE 2 23 ARG HA 4.490 . 4.940 4.350 2.869 4.952 0.012 3 0 "[ . 1 . 2]" 1
691 1 75 PHE HZ 2 23 ARG HA 4.540 . 4.990 4.625 3.160 5.109 0.119 17 0 "[ . 1 . 2]" 1
692 2 29 GLU HA 2 33 ALA MB 5.070 . 5.580 4.918 4.156 5.556 . 0 0 "[ . 1 . 2]" 1
693 2 29 GLU HA 2 32 PHE HB3 4.730 . 5.200 4.214 2.309 5.260 0.060 8 0 "[ . 1 . 2]" 1
694 2 29 GLU HA 2 32 PHE HB2 4.730 . 5.200 3.050 2.302 3.553 . 0 0 "[ . 1 . 2]" 1
695 2 29 GLU H 2 29 GLU HB2 3.750 . 4.130 2.648 2.268 3.590 . 0 0 "[ . 1 . 2]" 1
696 2 29 GLU H 2 29 GLU HB3 3.790 . 4.170 2.624 2.365 2.868 . 0 0 "[ . 1 . 2]" 1
697 2 29 GLU HB2 2 30 LYS H 4.250 . 4.680 3.981 3.710 4.168 . 0 0 "[ . 1 . 2]" 1
698 2 30 LYS HA 2 30 LYS HG2 3.970 . 4.370 3.769 3.590 4.204 . 0 0 "[ . 1 . 2]" 1
699 2 30 LYS HA 2 33 ALA MB 3.570 . 3.930 2.701 2.303 3.623 . 0 0 "[ . 1 . 2]" 1
700 2 30 LYS H 2 30 LYS HB2 4.200 . 4.620 3.584 3.547 3.605 . 0 0 "[ . 1 . 2]" 1
701 2 28 GLU HA 2 30 LYS HG3 4.380 . 4.820 4.003 2.754 4.980 0.160 9 0 "[ . 1 . 2]" 1
702 2 28 GLU HA 2 30 LYS HG2 3.980 . 4.380 3.149 2.515 4.461 0.081 16 0 "[ . 1 . 2]" 1
703 2 29 GLU HB3 2 30 LYS HG2 5.470 . 6.020 5.300 4.150 6.094 0.074 12 0 "[ . 1 . 2]" 1
704 2 30 LYS H 2 30 LYS HG2 4.290 . 4.720 2.322 1.947 3.108 . 0 0 "[ . 1 . 2]" 1
705 2 30 LYS HG2 2 31 TRP H 4.860 . 5.350 2.545 1.763 3.691 0.037 9 0 "[ . 1 . 2]" 1
706 2 30 LYS HG3 2 31 TRP HA 4.720 . 5.190 3.468 3.043 4.545 . 0 0 "[ . 1 . 2]" 1
707 2 30 LYS HG2 2 31 TRP HA 5.560 . 6.120 4.650 3.949 5.900 . 0 0 "[ . 1 . 2]" 1
708 2 32 PHE HB2 2 33 ALA MB 4.980 . 5.480 4.446 4.080 5.266 . 0 0 "[ . 1 . 2]" 1
709 2 32 PHE HB3 2 33 ALA MB 4.980 . 5.480 4.474 3.789 4.836 . 0 0 "[ . 1 . 2]" 1
710 2 33 ALA MB 2 34 LYS H 3.480 . 3.830 2.498 2.361 2.597 . 0 0 "[ . 1 . 2]" 1
711 2 33 ALA H 2 33 ALA MB 3.100 . 3.410 2.216 2.176 2.233 . 0 0 "[ . 1 . 2]" 1
712 2 31 TRP H 2 33 ALA MB 5.230 . 5.750 4.732 4.536 5.217 . 0 0 "[ . 1 . 2]" 1
713 2 32 PHE H 2 33 ALA MB 5.440 . 5.980 4.280 4.142 4.390 . 0 0 "[ . 1 . 2]" 1
714 2 33 ALA MB 2 35 GLN H 4.740 . 5.210 4.505 4.316 4.623 . 0 0 "[ . 1 . 2]" 1
715 2 34 LYS HA 2 34 LYS HG2 4.250 . 4.680 3.175 2.275 3.758 . 0 0 "[ . 1 . 2]" 1
716 2 34 LYS HA 2 34 LYS HG3 4.250 . 4.680 3.192 2.302 3.762 . 0 0 "[ . 1 . 2]" 1
717 2 31 TRP HA 2 34 LYS HB2 4.630 . 5.090 3.290 2.390 4.263 . 0 0 "[ . 1 . 2]" 1
718 2 31 TRP HA 2 34 LYS HB3 4.630 . 5.090 3.881 2.794 4.960 . 0 0 "[ . 1 . 2]" 1
719 2 34 LYS H 2 34 LYS HB2 4.000 . 4.400 2.418 2.136 2.589 . 0 0 "[ . 1 . 2]" 1
720 2 34 LYS H 2 34 LYS HB3 4.000 . 4.400 3.091 2.527 3.588 . 0 0 "[ . 1 . 2]" 1
721 2 31 TRP HA 2 34 LYS HG2 6.000 . 6.600 4.550 3.538 5.799 . 0 0 "[ . 1 . 2]" 1
722 2 31 TRP HA 2 34 LYS HG3 6.000 . 6.600 4.714 2.904 6.100 . 0 0 "[ . 1 . 2]" 1
723 2 34 LYS H 2 34 LYS HG2 5.250 . 5.780 3.598 2.011 4.697 . 0 0 "[ . 1 . 2]" 1
724 2 34 LYS H 2 34 LYS HG3 5.250 . 5.780 4.005 3.361 4.572 . 0 0 "[ . 1 . 2]" 1
725 2 34 LYS HA 2 34 LYS HE2 5.880 . 6.470 4.529 4.121 5.072 . 0 0 "[ . 1 . 2]" 1
726 2 34 LYS HA 2 34 LYS HE3 5.880 . 6.470 4.673 3.982 5.069 . 0 0 "[ . 1 . 2]" 1
727 2 31 TRP HA 2 31 TRP HD1 4.150 . 4.570 3.277 2.448 4.428 . 0 0 "[ . 1 . 2]" 1
728 2 31 TRP H 2 31 TRP HD1 4.710 . 5.180 4.132 2.083 4.860 . 0 0 "[ . 1 . 2]" 1
729 2 30 LYS HG3 2 31 TRP HD1 5.170 . 5.690 4.274 2.290 5.583 . 0 0 "[ . 1 . 2]" 1
730 2 31 TRP HE3 2 32 PHE H 4.370 . 4.810 3.411 2.909 4.719 . 0 0 "[ . 1 . 2]" 1
731 2 31 TRP HE3 2 32 PHE QE 4.660 . 5.130 4.035 3.032 5.562 0.432 17 0 "[ . 1 . 2]" 1
732 2 31 TRP HE3 2 32 PHE HA 4.230 . 4.650 2.940 2.493 3.820 . 0 0 "[ . 1 . 2]" 1
733 2 31 TRP HA 2 31 TRP HE3 4.850 . 5.330 4.504 4.200 4.905 . 0 0 "[ . 1 . 2]" 1
734 2 31 TRP HZ3 2 32 PHE HA 5.130 . 5.640 3.836 3.197 5.014 . 0 0 "[ . 1 . 2]" 1
735 2 31 TRP HZ3 2 32 PHE QE 5.180 . 5.700 3.379 2.432 4.379 . 0 0 "[ . 1 . 2]" 1
736 2 31 TRP HZ3 2 32 PHE QD 5.380 . 5.920 3.585 2.385 4.920 . 0 0 "[ . 1 . 2]" 1
737 2 18 TRP HZ2 2 23 ARG H 5.210 . 5.730 3.284 2.203 5.971 0.241 12 0 "[ . 1 . 2]" 1
738 2 18 TRP HZ2 2 22 HIS H 5.370 . 5.910 4.737 3.076 5.327 . 0 0 "[ . 1 . 2]" 1
739 2 18 TRP HZ2 2 22 HIS HA 4.450 . 4.890 2.937 2.299 4.006 . 0 0 "[ . 1 . 2]" 1
740 2 18 TRP HZ2 2 20 GLY HA2 4.850 . 5.330 4.468 3.620 5.248 . 0 0 "[ . 1 . 2]" 1
741 2 18 TRP HD1 2 19 ASP H 4.190 . 4.610 4.881 4.787 5.029 0.419 3 0 "[ . 1 . 2]" 1
742 1 29 THR HA 2 18 TRP HD1 4.990 . 5.490 3.303 2.866 3.687 . 0 0 "[ . 1 . 2]" 1
743 2 18 TRP HH2 2 20 GLY HA2 4.610 . 5.070 4.295 3.527 5.068 . 0 0 "[ . 1 . 2]" 1
744 1 86 HIS H 1 86 HIS HD2 4.450 . 4.890 2.684 2.090 3.161 . 0 0 "[ . 1 . 2]" 1
745 2 14 PRO HG2 2 18 TRP HE3 4.590 . 5.050 4.275 3.794 4.810 . 0 0 "[ . 1 . 2]" 1
746 2 22 HIS H 2 22 HIS HD2 4.340 . 4.770 3.824 1.855 4.954 0.184 20 0 "[ . 1 . 2]" 1
747 2 27 PHE H 2 27 PHE QD 4.380 . 4.820 3.418 1.913 4.182 . 0 0 "[ . 1 . 2]" 1
748 2 27 PHE HA 2 27 PHE QD 4.150 . 4.570 2.968 2.376 3.704 . 0 0 "[ . 1 . 2]" 1
749 2 27 PHE QD 2 28 GLU HA 4.240 . 4.660 3.509 2.911 4.328 . 0 0 "[ . 1 . 2]" 1
750 1 12 TYR QD 1 58 LYS H 4.440 . 4.880 4.418 3.624 4.972 0.092 11 0 "[ . 1 . 2]" 1
751 1 67 LEU HG 2 10 PHE QE 4.540 . 4.990 3.123 2.232 3.675 . 0 0 "[ . 1 . 2]" 1
752 2 7 GLU HG2 2 32 PHE HZ 5.500 . 6.050 4.891 3.013 6.181 0.131 14 0 "[ . 1 . 2]" 1
753 2 7 GLU HG3 2 32 PHE HZ 5.500 . 6.050 5.163 3.030 6.076 0.026 18 0 "[ . 1 . 2]" 1
754 2 9 ARG HA 2 32 PHE HZ 4.890 . 5.380 4.641 3.722 5.475 0.095 9 0 "[ . 1 . 2]" 1
755 2 32 PHE QD 2 33 ALA MB 5.630 . 6.190 5.319 4.657 5.589 . 0 0 "[ . 1 . 2]" 1
756 2 29 GLU HB2 2 32 PHE QD 5.910 . 6.500 5.120 3.965 6.286 . 0 0 "[ . 1 . 2]" 1
757 2 29 GLU HA 2 32 PHE QD 3.870 . 4.260 3.126 2.329 4.114 . 0 0 "[ . 1 . 2]" 1
758 2 32 PHE HA 2 32 PHE QD 3.440 . 3.780 2.636 2.251 3.035 . 0 0 "[ . 1 . 2]" 1
759 2 7 GLU HB3 2 32 PHE QE 4.250 . 4.680 3.459 2.350 4.780 0.100 6 0 "[ . 1 . 2]" 1
760 2 31 TRP HE3 2 32 PHE QD 3.930 . 4.320 3.338 2.591 4.450 0.130 9 0 "[ . 1 . 2]" 1
761 2 32 PHE H 2 32 PHE QD 3.790 . 4.170 2.890 1.945 4.074 . 0 0 "[ . 1 . 2]" 1
762 2 7 GLU HB2 2 32 PHE QE 4.250 . 4.680 3.498 2.329 4.727 0.047 12 0 "[ . 1 . 2]" 1
763 2 8 ASN HA 2 32 PHE HZ 5.010 . 5.510 4.087 2.446 5.551 0.041 3 0 "[ . 1 . 2]" 1
764 2 7 GLU HA 2 32 PHE HZ 5.290 . 5.820 4.822 3.505 5.842 0.022 12 0 "[ . 1 . 2]" 1
765 2 9 ARG H 2 32 PHE HZ 5.240 . 5.760 4.567 2.314 5.785 0.025 3 0 "[ . 1 . 2]" 1
766 1 12 TYR QD 1 57 LEU H 4.990 . 5.490 3.497 2.669 4.462 . 0 0 "[ . 1 . 2]" 1
767 1 12 TYR QD 1 13 ILE H 6.000 . 6.600 3.534 2.962 4.187 . 0 0 "[ . 1 . 2]" 1
768 1 12 TYR QD 1 41 ILE MD 3.980 . 4.380 3.949 3.382 4.452 0.072 9 0 "[ . 1 . 2]" 1
769 1 12 TYR QE 1 58 LYS H 4.420 . 4.860 4.261 2.630 5.008 0.148 8 0 "[ . 1 . 2]" 1
770 1 12 TYR QE 1 57 LEU H 6.000 . 6.600 5.329 4.090 6.178 . 0 0 "[ . 1 . 2]" 1
771 1 12 TYR QE 1 58 LYS HB2 5.000 . 5.450 2.591 2.262 4.886 . 0 0 "[ . 1 . 2]" 1
772 1 12 TYR QE 1 58 LYS HD3 5.090 . 5.600 4.143 2.649 5.305 . 0 0 "[ . 1 . 2]" 1
773 1 12 TYR QE 1 41 ILE HG13 3.960 . 4.360 3.971 3.048 4.442 0.082 8 0 "[ . 1 . 2]" 1
774 1 12 TYR QE 1 58 LYS HB3 4.490 . 4.940 3.849 3.096 4.054 . 0 0 "[ . 1 . 2]" 1
775 1 14 TYR QD 1 87 THR MG 4.860 . 5.350 3.463 2.500 4.452 . 0 0 "[ . 1 . 2]" 1
776 1 14 TYR QD 1 83 LYS HB3 4.970 . 5.470 4.410 3.272 5.509 0.039 7 0 "[ . 1 . 2]" 1
777 1 14 TYR QD 1 85 ASP HB3 4.540 . 4.990 3.303 2.448 4.854 . 0 0 "[ . 1 . 2]" 1
778 1 14 TYR QD 1 55 ALA H 5.210 . 5.730 4.644 3.164 5.817 0.087 2 0 "[ . 1 . 2]" 1
779 1 14 TYR QD 1 85 ASP H 4.200 . 4.620 3.778 2.893 4.392 . 0 0 "[ . 1 . 2]" 1
780 1 14 TYR QE 1 55 ALA H 5.590 . 6.150 4.313 2.670 5.776 . 0 0 "[ . 1 . 2]" 1
781 1 14 TYR QD 1 15 ILE H 4.690 . 5.160 3.512 2.405 3.897 . 0 0 "[ . 1 . 2]" 1
782 1 14 TYR QE 1 83 LYS HB3 4.300 . 4.730 3.971 2.976 4.692 . 0 0 "[ . 1 . 2]" 1
783 1 14 TYR QE 1 54 PHE QE 6.000 . 6.600 5.064 3.797 6.384 . 0 0 "[ . 1 . 2]" 1
784 1 31 PHE HA 1 31 PHE QD 4.250 . 4.680 2.987 2.420 3.057 . 0 0 "[ . 1 . 2]" 1
785 1 27 ILE HA 1 31 PHE QD 4.550 . 5.010 3.350 3.017 3.859 . 0 0 "[ . 1 . 2]" 1
786 1 30 VAL HB 1 31 PHE QD 4.650 . 5.120 2.457 2.313 3.354 . 0 0 "[ . 1 . 2]" 1
787 1 13 ILE MD 1 31 PHE QD 3.980 . 4.380 3.412 2.791 4.224 . 0 0 "[ . 1 . 2]" 1
788 1 15 ILE MD 1 31 PHE QD 4.540 . 4.990 3.836 3.365 4.341 . 0 0 "[ . 1 . 2]" 1
789 1 30 VAL MG2 1 31 PHE QD 4.390 . 4.830 4.073 3.955 4.670 . 0 0 "[ . 1 . 2]" 1
790 1 31 PHE QD 1 57 LEU MD1 4.250 . 4.680 3.503 2.482 4.436 . 0 0 "[ . 1 . 2]" 1
791 1 31 PHE H 1 31 PHE QD 3.980 . 4.380 2.265 2.081 2.834 . 0 0 "[ . 1 . 2]" 1
792 1 54 PHE QD 1 55 ALA H 4.110 . 4.520 3.685 3.174 4.377 . 0 0 "[ . 1 . 2]" 1
793 1 34 TYR QD 1 72 LEU HG 5.720 . 6.290 4.100 3.399 5.738 . 0 0 "[ . 1 . 2]" 1
794 1 34 TYR H 1 34 TYR QD 4.590 . 5.050 3.084 2.414 3.804 . 0 0 "[ . 1 . 2]" 1
795 1 56 TYR H 1 56 TYR QD 4.270 . 4.700 2.957 2.500 3.443 . 0 0 "[ . 1 . 2]" 1
796 1 41 ILE MG 1 56 TYR QD 3.440 . 3.780 2.992 2.491 3.303 . 0 0 "[ . 1 . 2]" 1
797 1 41 ILE MD 1 56 TYR QD 3.590 . 3.950 3.772 3.147 4.175 0.225 5 0 "[ . 1 . 2]" 1
798 1 14 TYR QE 1 54 PHE QD 4.390 . 4.830 3.460 2.306 4.759 . 0 0 "[ . 1 . 2]" 1
799 1 56 TYR QD 1 89 TYR QE 5.060 . 5.570 3.520 2.390 5.397 . 0 0 "[ . 1 . 2]" 1
800 1 75 PHE QD 1 77 ILE HG13 4.650 . 5.120 3.309 2.198 4.763 . 0 0 "[ . 1 . 2]" 1
801 1 75 PHE HZ 1 77 ILE MD 5.010 . 5.510 4.542 3.885 5.229 . 0 0 "[ . 1 . 2]" 1
802 1 69 VAL MG2 1 86 HIS HE1 4.790 . 5.270 3.805 2.693 4.787 . 0 0 "[ . 1 . 2]" 1
803 1 65 THR HB 1 86 HIS HE1 5.240 . 5.760 3.796 2.312 5.805 0.045 15 0 "[ . 1 . 2]" 1
804 1 66 ILE H 1 86 HIS HE1 5.670 . 6.240 4.730 3.802 5.996 . 0 0 "[ . 1 . 2]" 1
805 1 69 VAL MG1 1 86 HIS HD2 4.600 . 5.060 4.223 3.033 5.091 0.031 4 0 "[ . 1 . 2]" 1
806 1 69 VAL MG1 1 86 HIS HE1 4.790 . 5.270 4.761 3.565 5.409 0.139 6 0 "[ . 1 . 2]" 1
807 1 89 TYR QD 1 90 ARG H 5.660 . 6.230 3.332 2.574 3.851 . 0 0 "[ . 1 . 2]" 1
808 1 89 TYR HA 1 89 TYR QD 3.930 . 4.320 2.959 2.365 3.693 . 0 0 "[ . 1 . 2]" 1
809 1 89 TYR QD 1 91 PRO HD3 5.520 . 6.070 4.907 3.512 5.528 . 0 0 "[ . 1 . 2]" 1
810 1 89 TYR QD 1 90 ARG HG2 6.000 . 6.600 5.777 3.719 6.777 0.177 20 0 "[ . 1 . 2]" 1
811 1 89 TYR QD 1 90 ARG HG3 6.000 . 6.600 5.543 4.107 6.588 . 0 0 "[ . 1 . 2]" 1
812 1 95 LEU MD1 1 98 TYR QD 4.500 . 4.950 3.807 2.264 4.949 . 0 0 "[ . 1 . 2]" 1
813 1 95 LEU HG 1 98 TYR QD 3.680 . 4.050 3.327 2.637 4.308 0.258 16 0 "[ . 1 . 2]" 1
814 1 95 LEU HG 1 98 TYR QE 4.400 . 4.840 4.610 3.485 4.974 0.134 17 0 "[ . 1 . 2]" 1
815 2 18 TRP HZ3 2 20 GLY HA2 5.000 . 5.500 3.670 3.308 4.190 . 0 0 "[ . 1 . 2]" 1
816 2 14 PRO HD2 2 18 TRP HZ3 6.000 . 6.600 6.391 5.592 6.687 0.087 20 0 "[ . 1 . 2]" 1
817 1 34 TYR QE 1 72 LEU HG 3.950 . 4.350 4.250 3.513 4.639 0.289 6 0 "[ . 1 . 2]" 1
818 1 34 TYR QE 1 68 ALA MB 5.540 . 6.090 5.147 2.179 5.854 . 0 0 "[ . 1 . 2]" 1
819 1 34 TYR QE 1 68 ALA HA 5.420 . 5.960 4.671 3.311 5.258 . 0 0 "[ . 1 . 2]" 1
820 2 17 ARG H 2 18 TRP H 4.630 . 5.090 2.667 2.546 2.820 . 0 0 "[ . 1 . 2]" 1
821 2 20 GLY H 2 21 VAL H 4.100 . 4.510 2.376 2.021 2.562 . 0 0 "[ . 1 . 2]" 1
822 2 21 VAL H 2 21 VAL HB 3.960 . 4.360 2.532 2.335 3.607 . 0 0 "[ . 1 . 2]" 1
823 2 21 VAL H 2 21 VAL MG1 4.040 . 4.440 3.305 2.041 3.829 . 0 0 "[ . 1 . 2]" 1
824 2 21 VAL H 2 21 VAL MG2 4.040 . 4.440 2.574 1.854 3.755 . 0 0 "[ . 1 . 2]" 1
825 2 18 TRP HE1 2 21 VAL H 4.630 . 5.090 3.713 3.076 4.077 . 0 0 "[ . 1 . 2]" 1
826 1 75 PHE QE 2 24 SER H 4.100 . 4.510 3.725 2.035 4.637 0.127 20 0 "[ . 1 . 2]" 1
827 1 67 LEU MD1 2 10 PHE H 4.510 . 4.960 4.283 3.334 5.241 0.281 14 0 "[ . 1 . 2]" 1
828 2 10 PHE H 2 11 ALA MB 4.860 . 5.350 5.320 5.008 5.665 0.315 8 0 "[ . 1 . 2]" 1
829 2 10 PHE H 2 11 ALA HA 4.810 . 5.290 5.011 4.689 5.312 0.022 13 0 "[ . 1 . 2]" 1
830 2 10 PHE H 2 10 PHE QD 4.720 . 5.190 2.422 1.717 3.178 0.083 3 0 "[ . 1 . 2]" 1
831 2 10 PHE H 2 11 ALA H 3.910 . 4.300 4.395 4.285 4.491 0.191 11 0 "[ . 1 . 2]" 1
832 2 10 PHE H 2 12 ILE H 4.980 . 5.480 5.012 4.171 5.739 0.259 13 0 "[ . 1 . 2]" 1
833 1 67 LEU HG 2 10 PHE H 5.320 . 5.850 5.385 4.361 6.086 0.236 6 0 "[ . 1 . 2]" 1
834 1 67 LEU MD2 2 10 PHE H 4.720 . 5.190 3.477 2.637 3.982 . 0 0 "[ . 1 . 2]" 1
835 2 30 LYS HG3 2 32 PHE H 5.190 . 5.710 4.710 3.529 5.256 . 0 0 "[ . 1 . 2]" 1
836 2 31 TRP HB3 2 32 PHE H 4.700 . 5.170 2.834 2.339 4.144 . 0 0 "[ . 1 . 2]" 1
837 2 32 PHE H 2 32 PHE HB2 4.140 . 4.550 2.268 2.079 2.377 . 0 0 "[ . 1 . 2]" 1
838 2 32 PHE H 2 32 PHE HB3 4.140 . 4.550 3.376 2.723 3.572 . 0 0 "[ . 1 . 2]" 1
839 2 31 TRP HB2 2 32 PHE H 4.700 . 5.170 3.813 3.585 4.121 . 0 0 "[ . 1 . 2]" 1
840 2 7 GLU HA 2 8 ASN H 3.460 . 3.810 2.718 2.149 3.575 . 0 0 "[ . 1 . 2]" 1
841 2 12 ILE MG 2 13 MET H 4.110 . 4.520 2.776 2.533 2.994 . 0 0 "[ . 1 . 2]" 1
842 2 13 MET H 2 13 MET HB3 3.790 . 4.170 3.322 2.442 3.650 . 0 0 "[ . 1 . 2]" 1
843 2 12 ILE H 2 13 MET H 4.820 . 5.300 4.471 4.335 4.600 . 0 0 "[ . 1 . 2]" 1
844 2 13 MET H 2 13 MET HG2 4.130 . 4.540 2.873 1.770 4.093 0.030 4 0 "[ . 1 . 2]" 1
845 2 13 MET H 2 13 MET HG3 4.130 . 4.540 3.568 2.610 4.118 . 0 0 "[ . 1 . 2]" 1
846 2 13 MET H 2 13 MET HB2 3.790 . 4.170 2.744 2.260 3.638 . 0 0 "[ . 1 . 2]" 1
847 2 17 ARG H 2 17 ARG HG2 5.290 . 5.820 4.403 2.463 4.706 . 0 0 "[ . 1 . 2]" 1
848 2 16 SER HB2 2 17 ARG H 5.240 . 5.760 3.582 2.680 4.096 . 0 0 "[ . 1 . 2]" 1
849 2 16 SER HB3 2 17 ARG H 5.240 . 5.760 3.571 2.542 4.070 . 0 0 "[ . 1 . 2]" 1
850 2 7 GLU HG2 2 8 ASN H 4.610 . 5.070 3.931 2.120 5.215 0.145 20 0 "[ . 1 . 2]" 1
851 2 7 GLU HG3 2 8 ASN H 4.610 . 5.070 4.251 1.836 5.107 0.037 16 0 "[ . 1 . 2]" 1
852 2 7 GLU HB3 2 8 ASN H 4.170 . 4.590 3.522 1.803 4.279 . 0 0 "[ . 1 . 2]" 1
853 2 7 GLU HB2 2 8 ASN H 4.170 . 4.590 3.382 2.094 4.538 . 0 0 "[ . 1 . 2]" 1
854 2 37 GLU HB3 2 38 ILE H 4.620 . 5.080 3.008 2.389 4.436 . 0 0 "[ . 1 . 2]" 1
855 2 38 ILE H 2 38 ILE HB 3.720 . 4.090 2.794 2.290 3.653 . 0 0 "[ . 1 . 2]" 1
856 2 38 ILE H 2 38 ILE HG12 4.100 . 4.510 3.265 1.887 4.637 0.127 20 0 "[ . 1 . 2]" 1
857 2 38 ILE H 2 38 ILE HG13 4.100 . 4.510 3.063 2.000 4.484 . 0 0 "[ . 1 . 2]" 1
858 2 38 ILE H 2 38 ILE MD 4.400 . 4.840 3.594 2.666 4.272 . 0 0 "[ . 1 . 2]" 1
859 2 30 LYS H 2 30 LYS HB3 4.200 . 4.620 2.510 2.315 2.950 . 0 0 "[ . 1 . 2]" 1
860 2 30 LYS H 2 30 LYS HG3 3.690 . 4.060 3.187 2.027 3.835 . 0 0 "[ . 1 . 2]" 1
861 2 29 GLU HB3 2 30 LYS H 3.840 . 4.220 3.102 2.372 4.155 . 0 0 "[ . 1 . 2]" 1
862 2 19 ASP H 2 20 GLY HA2 4.690 . 5.160 5.050 4.986 5.096 . 0 0 "[ . 1 . 2]" 1
863 2 19 ASP H 2 20 GLY H 4.170 . 4.590 2.939 2.794 3.201 . 0 0 "[ . 1 . 2]" 1
864 1 29 THR HA 2 19 ASP H 4.520 . 4.970 5.113 4.946 5.252 0.282 12 0 "[ . 1 . 2]" 1
865 2 19 ASP H 2 21 VAL H 4.450 . 4.890 4.727 4.553 4.942 0.052 6 0 "[ . 1 . 2]" 1
866 2 22 HIS H 2 22 HIS HB2 4.080 . 4.490 2.889 2.373 3.749 . 0 0 "[ . 1 . 2]" 1
867 2 22 HIS H 2 22 HIS HB3 4.080 . 4.490 3.195 2.421 3.629 . 0 0 "[ . 1 . 2]" 1
868 2 21 VAL MG1 2 22 HIS H 4.130 . 4.540 2.742 1.933 3.735 . 0 0 "[ . 1 . 2]" 1
869 2 26 GLY H 2 27 PHE H 4.700 . 5.170 3.686 1.635 4.610 0.165 15 0 "[ . 1 . 2]" 1
870 2 30 LYS HG3 2 31 TRP H 4.280 . 4.710 2.300 1.658 2.866 0.142 10 0 "[ . 1 . 2]" 1
871 2 31 TRP H 2 31 TRP HB3 4.190 . 4.610 2.606 2.484 2.773 . 0 0 "[ . 1 . 2]" 1
872 2 31 TRP H 2 31 TRP HB2 4.190 . 4.610 2.754 2.336 3.653 . 0 0 "[ . 1 . 2]" 1
873 2 28 GLU HA 2 31 TRP H 4.590 . 5.050 3.601 2.941 4.033 . 0 0 "[ . 1 . 2]" 1
874 2 30 LYS H 2 31 TRP H 3.990 . 4.390 2.766 2.516 3.079 . 0 0 "[ . 1 . 2]" 1
875 2 28 GLU H 2 29 GLU H 4.490 . 4.940 2.654 2.404 2.849 . 0 0 "[ . 1 . 2]" 1
876 2 12 ILE H 2 12 ILE HB 4.150 . 4.570 2.540 2.446 2.675 . 0 0 "[ . 1 . 2]" 1
877 2 12 ILE H 2 12 ILE MD 4.550 . 5.010 3.335 2.645 3.711 . 0 0 "[ . 1 . 2]" 1
878 2 32 PHE H 2 33 ALA H 4.140 . 4.550 2.621 2.460 2.756 . 0 0 "[ . 1 . 2]" 1
879 2 33 ALA H 2 34 LYS H 4.010 . 4.410 2.697 2.590 2.775 . 0 0 "[ . 1 . 2]" 1
880 2 11 ALA H 2 12 ILE H 4.120 . 4.530 3.049 2.401 4.104 . 0 0 "[ . 1 . 2]" 1
881 2 5 ALA H 2 5 ALA MB 3.260 . 3.590 2.512 2.035 2.981 . 0 0 "[ . 1 . 2]" 1
882 2 4 PRO HB2 2 5 ALA H 4.100 . 4.510 2.884 1.866 4.369 . 0 0 "[ . 1 . 2]" 1
883 1 28 LEU MD2 2 17 ARG HD2 4.290 . 4.720 3.441 2.502 5.086 0.366 2 0 "[ . 1 . 2]" 1
884 1 29 THR MG 2 18 TRP HD1 3.780 . 4.160 2.228 2.101 2.367 . 0 0 "[ . 1 . 2]" 1
885 1 29 THR MG 2 18 TRP HZ2 4.910 . 5.400 5.632 5.417 5.853 0.453 8 0 "[ . 1 . 2]" 1
886 1 67 LEU MD1 2 12 ILE MG 4.060 . 4.470 3.669 3.161 4.559 0.089 7 0 "[ . 1 . 2]" 1
887 1 67 LEU MD1 2 12 ILE HB 4.720 . 5.190 3.222 2.653 4.493 . 0 0 "[ . 1 . 2]" 1
888 1 66 ILE MD 2 10 PHE HZ 3.530 . 3.880 2.838 2.226 3.433 . 0 0 "[ . 1 . 2]" 1
889 1 66 ILE MD 2 10 PHE QD 4.490 . 4.940 4.915 4.622 5.140 0.200 20 0 "[ . 1 . 2]" 1
890 1 67 LEU MD1 2 10 PHE HZ 4.720 . 5.190 4.829 3.232 5.480 0.290 16 0 "[ . 1 . 2]" 1
891 1 28 LEU MD2 2 17 ARG HG3 4.250 . 4.680 4.690 3.059 4.990 0.310 4 0 "[ . 1 . 2]" 1
892 1 28 LEU MD2 2 17 ARG HG2 4.250 . 4.680 3.849 2.918 4.784 0.104 15 0 "[ . 1 . 2]" 1
893 1 28 LEU MD2 2 17 ARG HB2 6.330 . 6.960 4.998 3.759 5.531 . 0 0 "[ . 1 . 2]" 1
894 1 67 LEU MD2 2 10 PHE QE 3.700 . 4.070 2.799 2.275 3.374 . 0 0 "[ . 1 . 2]" 1
895 1 67 LEU MD2 2 10 PHE QD 3.700 . 4.070 2.153 2.004 2.375 . 0 0 "[ . 1 . 2]" 1
896 1 67 LEU MD2 2 10 PHE HZ 4.070 . 4.480 4.474 3.825 4.737 0.257 14 0 "[ . 1 . 2]" 1
897 1 66 ILE HB 2 10 PHE HZ 4.740 . 5.210 3.315 2.652 4.476 . 0 0 "[ . 1 . 2]" 1
898 1 66 ILE HB 2 10 PHE QE 4.270 . 4.700 3.703 2.894 4.650 . 0 0 "[ . 1 . 2]" 1
899 1 66 ILE MG 2 10 PHE QD 4.420 . 4.860 4.654 3.747 5.074 0.214 7 0 "[ . 1 . 2]" 1
900 1 66 ILE MG 2 10 PHE HZ 3.540 . 3.890 2.566 2.170 2.926 . 0 0 "[ . 1 . 2]" 1
901 1 28 LEU MD1 2 17 ARG HG3 4.250 . 4.680 4.405 3.650 5.009 0.329 15 0 "[ . 1 . 2]" 1
902 1 28 LEU MD1 2 17 ARG HG2 4.250 . 4.680 3.981 3.205 4.751 0.071 3 0 "[ . 1 . 2]" 1
903 1 28 LEU MD1 2 17 ARG HB2 6.330 . 6.960 5.500 4.490 6.146 . 0 0 "[ . 1 . 2]" 1
904 1 28 LEU MD1 2 17 ARG HD3 4.290 . 4.720 2.908 2.246 4.368 . 0 0 "[ . 1 . 2]" 1
905 1 28 LEU MD1 2 17 ARG HD2 4.290 . 4.720 3.700 2.324 4.695 . 0 0 "[ . 1 . 2]" 1
906 1 8 LYS HA 1 8 LYS QG 3.740 . 4.110 2.605 2.252 3.305 . 0 0 "[ . 1 . 2]" 1
907 1 11 ALA MB 1 62 GLN QB 4.770 . 5.250 3.098 2.161 5.361 0.111 6 0 "[ . 1 . 2]" 1
908 1 11 ALA MB 1 62 GLN QG 3.730 . 4.100 3.281 2.156 4.306 0.206 19 0 "[ . 1 . 2]" 1
909 1 12 TYR HA 1 58 LYS QG 4.420 . 4.860 4.487 3.643 4.980 0.120 11 0 "[ . 1 . 2]" 1
910 1 12 TYR HA 1 58 LYS QD 5.810 . 6.390 5.868 4.784 6.487 0.097 1 0 "[ . 1 . 2]" 1
911 1 12 TYR QB 1 87 THR MG 3.610 . 3.970 2.318 1.980 3.316 . 0 0 "[ . 1 . 2]" 1
912 1 12 TYR QD 1 56 TYR QB 4.430 . 4.870 2.551 2.179 3.023 . 0 0 "[ . 1 . 2]" 1
913 1 12 TYR QD 1 58 LYS QB 4.100 . 4.510 3.553 2.985 4.765 0.255 11 0 "[ . 1 . 2]" 1
914 1 12 TYR QD 1 58 LYS QG 4.360 . 4.800 4.028 3.374 4.666 . 0 0 "[ . 1 . 2]" 1
915 1 12 TYR QD 1 91 PRO QG 5.000 . 5.500 4.956 3.740 5.720 0.220 7 0 "[ . 1 . 2]" 1
916 1 12 TYR QE 1 38 VAL QG 5.920 . 6.510 5.685 5.130 6.150 . 0 0 "[ . 1 . 2]" 1
917 1 12 TYR QE 1 39 ASP QB 5.120 . 5.630 4.909 3.941 5.761 0.131 11 0 "[ . 1 . 2]" 1
918 1 12 TYR QE 1 56 TYR QB 3.870 . 4.260 3.812 2.897 4.447 0.187 17 0 "[ . 1 . 2]" 1
919 1 12 TYR QE 1 57 LEU QD 5.540 . 6.090 5.824 4.551 6.343 0.253 13 0 "[ . 1 . 2]" 1
920 1 12 TYR QE 1 58 LYS QB 3.710 . 4.080 2.448 2.244 3.742 . 0 0 "[ . 1 . 2]" 1
921 1 12 TYR QE 1 58 LYS QG 4.390 . 4.830 3.152 2.232 4.029 . 0 0 "[ . 1 . 2]" 1
922 1 12 TYR QE 1 91 PRO QB 4.400 . 4.840 3.815 2.960 4.920 0.080 20 0 "[ . 1 . 2]" 1
923 1 13 ILE H 1 57 LEU QD 4.500 . 4.950 3.996 2.049 4.733 . 0 0 "[ . 1 . 2]" 1
924 1 13 ILE MG 1 57 LEU QD 4.540 . 4.990 3.753 3.210 4.335 . 0 0 "[ . 1 . 2]" 1
925 1 13 ILE MG 1 64 SER QB 5.710 . 6.280 6.195 5.408 6.674 0.394 20 0 "[ . 1 . 2]" 1
926 1 13 ILE MG 1 69 VAL QG 3.110 . 3.420 3.098 2.723 3.591 0.171 18 0 "[ . 1 . 2]" 1
927 1 13 ILE MG 1 85 ASP QB 4.880 . 5.370 5.058 4.668 5.428 0.058 5 0 "[ . 1 . 2]" 1
928 1 13 ILE MG 1 86 HIS QB 5.190 . 5.710 4.446 3.716 5.160 . 0 0 "[ . 1 . 2]" 1
929 1 13 ILE QG 1 57 LEU QD 3.230 . 3.550 2.879 1.959 3.537 . 0 0 "[ . 1 . 2]" 1
930 1 13 ILE MD 1 31 PHE QB 5.330 . 5.860 4.495 4.216 4.773 . 0 0 "[ . 1 . 2]" 1
931 1 13 ILE MD 1 57 LEU QD 3.020 . 3.320 2.108 1.876 2.461 . 0 0 "[ . 1 . 2]" 1
932 1 13 ILE MD 1 69 VAL QG 3.880 . 4.270 3.871 2.975 4.583 0.313 18 0 "[ . 1 . 2]" 1
933 1 14 TYR H 1 69 VAL QG 5.310 . 5.840 5.514 5.019 5.893 0.053 5 0 "[ . 1 . 2]" 1
934 1 14 TYR HA 1 85 ASP QB 4.680 . 5.150 5.109 4.875 5.330 0.180 9 0 "[ . 1 . 2]" 1
935 1 14 TYR QB 1 15 ILE MD 5.810 . 6.390 5.992 5.909 6.086 . 0 0 "[ . 1 . 2]" 1
936 1 14 TYR QB 1 87 THR MG 4.690 . 5.160 2.521 1.981 3.253 . 0 0 "[ . 1 . 2]" 1
937 1 14 TYR QD 1 83 LYS QG 4.590 . 5.050 3.863 3.122 4.596 . 0 0 "[ . 1 . 2]" 1
938 1 14 TYR QD 1 85 ASP QB 3.760 . 4.140 2.846 2.307 3.891 . 0 0 "[ . 1 . 2]" 1
939 1 14 TYR QE 1 54 PHE QB 4.020 . 4.420 2.704 2.161 3.788 . 0 0 "[ . 1 . 2]" 1
940 1 14 TYR QE 1 83 LYS QG 4.430 . 4.870 4.133 3.164 4.953 0.083 20 0 "[ . 1 . 2]" 1
941 1 15 ILE HB 1 18 LEU QD 3.600 . 3.960 3.376 2.556 4.050 0.090 18 0 "[ . 1 . 2]" 1
942 1 15 ILE MG 1 18 LEU QD 3.330 . 3.660 2.355 2.030 3.050 . 0 0 "[ . 1 . 2]" 1
943 1 15 ILE MG 1 72 LEU QB 5.360 . 5.900 5.311 5.002 5.923 0.023 16 0 "[ . 1 . 2]" 1
944 1 15 ILE MG 1 72 LEU QD 4.760 . 5.240 5.047 4.199 5.517 0.277 17 0 "[ . 1 . 2]" 1
945 1 15 ILE MG 1 82 LEU QB 4.380 . 4.820 3.341 2.603 4.673 . 0 0 "[ . 1 . 2]" 1
946 1 15 ILE MG 1 82 LEU QD 2.980 . 3.280 3.145 2.753 3.429 0.149 11 0 "[ . 1 . 2]" 1
947 1 15 ILE MG 1 84 ILE QG 4.890 . 5.380 4.165 2.280 4.824 . 0 0 "[ . 1 . 2]" 1
948 1 15 ILE QG 1 27 ILE MG 5.180 . 5.700 4.646 4.502 4.855 . 0 0 "[ . 1 . 2]" 1
949 1 15 ILE QG 1 84 ILE HA 4.900 . 5.390 3.628 3.018 3.930 . 0 0 "[ . 1 . 2]" 1
950 1 15 ILE MD 1 40 VAL QG 4.050 . 4.460 3.845 3.540 4.773 0.313 11 0 "[ . 1 . 2]" 1
951 1 15 ILE MD 1 56 TYR QB 5.810 . 6.390 5.499 4.892 6.075 . 0 0 "[ . 1 . 2]" 1
952 1 15 ILE MD 1 57 LEU QD 3.620 . 3.980 1.962 1.742 2.269 0.058 11 0 "[ . 1 . 2]" 1
953 1 15 ILE MD 1 82 LEU QD 4.860 . 5.350 4.370 4.020 4.800 . 0 0 "[ . 1 . 2]" 1
954 1 16 GLY H 1 83 LYS QG 5.320 . 5.850 4.166 3.658 4.644 . 0 0 "[ . 1 . 2]" 1
955 1 16 GLY QA 1 83 LYS HB3 5.500 . 6.050 3.140 2.526 4.211 . 0 0 "[ . 1 . 2]" 1
956 1 17 ASN H 1 18 LEU QD 5.580 . 6.140 3.871 2.879 5.667 . 0 0 "[ . 1 . 2]" 1
957 1 17 ASN QB 1 18 LEU HG 5.810 . 6.390 5.819 4.870 6.562 0.172 13 0 "[ . 1 . 2]" 1
958 1 17 ASN QB 1 81 ALA MB 4.770 . 5.250 4.276 3.618 4.763 . 0 0 "[ . 1 . 2]" 1
959 1 17 ASN QD 1 81 ALA MB 4.030 . 4.430 3.561 2.531 4.509 0.079 16 0 "[ . 1 . 2]" 1
960 1 18 LEU H 1 18 LEU QD 3.440 . 3.780 2.560 1.597 3.729 0.203 14 0 "[ . 1 . 2]" 1
961 1 18 LEU H 1 22 LEU QD 5.820 . 6.400 5.572 5.027 6.474 0.074 5 0 "[ . 1 . 2]" 1
962 1 18 LEU HA 1 18 LEU QD 3.520 . 3.870 3.298 2.259 3.459 . 0 0 "[ . 1 . 2]" 1
963 1 18 LEU HA 1 22 LEU QD 4.260 . 4.690 3.633 3.074 4.401 . 0 0 "[ . 1 . 2]" 1
964 1 18 LEU HA 1 82 LEU QD 4.940 . 5.430 4.176 3.267 5.263 . 0 0 "[ . 1 . 2]" 1
965 1 18 LEU QB 1 27 ILE MG 5.800 . 6.380 5.530 5.055 6.378 . 0 0 "[ . 1 . 2]" 1
966 1 18 LEU QD 1 19 ASN H 3.730 . 4.100 3.507 3.038 3.976 . 0 0 "[ . 1 . 2]" 1
967 1 18 LEU QD 1 19 ASN QB 4.700 . 5.170 4.307 3.851 4.758 . 0 0 "[ . 1 . 2]" 1
968 1 18 LEU QD 1 20 ARG H 4.810 . 5.290 4.325 3.686 5.379 0.089 5 0 "[ . 1 . 2]" 1
969 1 18 LEU QD 1 22 LEU H 5.170 . 5.690 4.241 3.623 5.000 . 0 0 "[ . 1 . 2]" 1
970 1 18 LEU QD 1 22 LEU HG 5.080 . 5.590 4.843 2.951 5.659 0.069 8 0 "[ . 1 . 2]" 1
971 1 18 LEU QD 1 22 LEU QD 3.660 . 4.030 3.246 2.560 3.857 . 0 0 "[ . 1 . 2]" 1
972 1 18 LEU QD 1 27 ILE QG 4.460 . 4.910 3.541 2.409 4.383 . 0 0 "[ . 1 . 2]" 1
973 1 18 LEU QD 1 27 ILE MD 3.040 . 3.340 2.764 1.930 3.309 . 0 0 "[ . 1 . 2]" 1
974 1 18 LEU QD 1 53 GLY QA 4.070 . 4.480 2.915 2.158 3.761 . 0 0 "[ . 1 . 2]" 1
975 1 18 LEU QD 1 54 PHE HA 3.850 . 4.230 2.963 2.114 4.016 . 0 0 "[ . 1 . 2]" 1
976 1 18 LEU QD 1 54 PHE QB 5.220 . 5.740 4.257 3.590 5.000 . 0 0 "[ . 1 . 2]" 1
977 1 18 LEU QD 1 54 PHE QD 5.480 . 6.030 4.821 4.210 5.434 . 0 0 "[ . 1 . 2]" 1
978 1 18 LEU QD 1 55 ALA H 4.260 . 4.690 3.633 2.960 4.246 . 0 0 "[ . 1 . 2]" 1
979 1 18 LEU QD 1 55 ALA MB 3.210 . 3.530 2.895 2.274 3.528 . 0 0 "[ . 1 . 2]" 1
980 1 19 ASN H 1 22 LEU QD 3.760 . 4.140 2.621 2.311 3.215 . 0 0 "[ . 1 . 2]" 1
981 1 19 ASN HA 1 22 LEU QD 4.850 . 5.330 4.272 3.841 4.683 . 0 0 "[ . 1 . 2]" 1
982 1 19 ASN QB 1 22 LEU QD 3.300 . 3.630 2.295 1.975 2.913 . 0 0 "[ . 1 . 2]" 1
983 1 19 ASN QB 1 77 ILE MG 4.600 . 5.060 4.071 2.960 5.114 0.054 13 0 "[ . 1 . 2]" 1
984 1 20 ARG H 1 20 ARG QD 4.670 . 5.140 3.649 1.808 4.689 . 0 0 "[ . 1 . 2]" 1
985 1 20 ARG QB 1 20 ARG QD 3.190 . 3.510 2.268 2.121 2.406 . 0 0 "[ . 1 . 2]" 1
986 1 20 ARG QG 1 21 GLU H 4.640 . 5.100 2.894 2.193 4.525 . 0 0 "[ . 1 . 2]" 1
987 1 20 ARG QD 1 21 GLU H 4.270 . 4.700 4.361 3.590 4.811 0.111 5 0 "[ . 1 . 2]" 1
988 1 21 GLU H 1 22 LEU QD 4.610 . 5.070 4.014 3.263 5.190 0.120 19 0 "[ . 1 . 2]" 1
989 1 22 LEU H 1 22 LEU QD 3.420 . 3.760 2.551 1.832 3.541 . 0 0 "[ . 1 . 2]" 1
990 1 22 LEU HA 1 22 LEU QD 3.530 . 3.880 2.249 1.962 2.709 . 0 0 "[ . 1 . 2]" 1
991 1 22 LEU QD 1 23 THR H 3.630 . 3.990 3.701 2.706 4.163 0.173 13 0 "[ . 1 . 2]" 1
992 1 22 LEU QD 1 23 THR MG 4.860 . 5.350 4.591 3.667 5.101 . 0 0 "[ . 1 . 2]" 1
993 1 22 LEU QD 1 26 ASP H 5.130 . 5.640 5.194 4.154 5.652 0.012 9 0 "[ . 1 . 2]" 1
994 1 22 LEU QD 1 26 ASP QB 3.880 . 4.270 2.854 2.028 3.579 . 0 0 "[ . 1 . 2]" 1
995 1 22 LEU MD2 1 26 ASP HB2 6.160 . 6.780 4.036 3.082 5.058 . 0 0 "[ . 1 . 2]" 1
996 1 22 LEU QD 1 27 ILE H 4.340 . 4.770 4.408 3.222 4.827 0.057 18 0 "[ . 1 . 2]" 1
997 1 23 THR HA 1 42 LEU QD 3.840 . 4.220 4.080 3.353 4.479 0.259 16 0 "[ . 1 . 2]" 1
998 1 23 THR MG 1 42 LEU QD 4.930 . 5.420 5.170 4.738 5.470 0.050 14 0 "[ . 1 . 2]" 1
999 1 24 GLU H 1 42 LEU QD 3.960 . 4.360 3.779 3.295 4.353 . 0 0 "[ . 1 . 2]" 1
1000 1 24 GLU HA 1 24 GLU QG 3.730 . 4.100 2.306 2.241 2.376 . 0 0 "[ . 1 . 2]" 1
1001 1 24 GLU HA 1 40 VAL QG 3.580 . 3.940 3.682 3.014 3.957 0.017 18 0 "[ . 1 . 2]" 1
1002 1 24 GLU QG 1 40 VAL HB 5.130 . 5.640 3.928 2.741 5.375 . 0 0 "[ . 1 . 2]" 1
1003 1 24 GLU QG 1 40 VAL QG 3.470 . 3.820 3.025 2.143 3.870 0.050 2 0 "[ . 1 . 2]" 1
1004 1 24 GLU QG 1 42 LEU QB 3.850 . 4.230 3.752 2.724 4.474 0.244 15 0 "[ . 1 . 2]" 1
1005 1 24 GLU QG 1 42 LEU QD 3.330 . 3.660 2.143 1.822 2.609 . 0 0 "[ . 1 . 2]" 1
1006 1 25 GLY H 1 40 VAL QG 5.530 . 6.080 5.907 5.397 6.190 0.110 18 0 "[ . 1 . 2]" 1
1007 1 25 GLY QA 1 28 LEU QD 3.760 . 4.140 2.323 2.241 2.682 . 0 0 "[ . 1 . 2]" 1
1008 1 26 ASP QB 1 27 ILE MD 4.560 . 5.020 4.460 4.398 4.536 . 0 0 "[ . 1 . 2]" 1
1009 1 27 ILE H 1 27 ILE QG 3.980 . 4.380 2.235 2.199 2.279 . 0 0 "[ . 1 . 2]" 1
1010 1 27 ILE HA 1 30 VAL QG 3.870 . 4.260 2.918 2.768 3.062 . 0 0 "[ . 1 . 2]" 1
1011 1 27 ILE HA 1 40 VAL QG 5.920 . 6.510 5.460 5.029 5.999 . 0 0 "[ . 1 . 2]" 1
1012 1 27 ILE HB 1 30 VAL QG 4.420 . 4.860 5.180 5.065 5.288 0.428 6 0 "[ . 1 . 2]" 1
1013 1 27 ILE HB 1 40 VAL QG 4.260 . 4.690 3.530 2.988 4.024 . 0 0 "[ . 1 . 2]" 1
1014 1 27 ILE QG 1 27 ILE MG 3.010 . 3.310 2.285 2.271 2.314 . 0 0 "[ . 1 . 2]" 1
1015 1 27 ILE MG 1 30 VAL QG 4.620 . 5.080 3.813 3.628 4.017 . 0 0 "[ . 1 . 2]" 1
1016 1 27 ILE MG 1 31 PHE QB 4.070 . 4.480 3.387 3.089 3.756 . 0 0 "[ . 1 . 2]" 1
1017 1 27 ILE MG 1 40 VAL QG 2.900 . 3.190 2.785 2.427 3.307 0.117 9 0 "[ . 1 . 2]" 1
1018 1 27 ILE MG 1 57 LEU QD 3.230 . 3.550 2.289 1.991 2.519 . 0 0 "[ . 1 . 2]" 1
1019 1 27 ILE MD 1 40 VAL QG 3.530 . 3.880 3.120 2.657 3.782 . 0 0 "[ . 1 . 2]" 1
1020 1 27 ILE MD 1 57 LEU QD 4.760 . 5.240 3.765 3.266 4.449 . 0 0 "[ . 1 . 2]" 1
1021 1 28 LEU H 1 40 VAL QG 4.030 . 4.430 4.303 3.834 4.638 0.208 7 0 "[ . 1 . 2]" 1
1022 1 28 LEU HA 1 28 LEU QD 3.080 . 3.390 2.203 2.090 2.265 . 0 0 "[ . 1 . 2]" 1
1023 1 28 LEU HA 1 40 VAL QG 4.090 . 4.500 3.912 3.573 4.401 . 0 0 "[ . 1 . 2]" 1
1024 1 28 LEU HA 1 57 LEU QD 4.870 . 5.360 4.074 3.770 4.330 . 0 0 "[ . 1 . 2]" 1
1025 1 28 LEU HB2 1 28 LEU QD 2.910 . 3.200 2.213 2.181 2.252 . 0 0 "[ . 1 . 2]" 1
1026 1 28 LEU HB2 1 40 VAL QG 4.770 . 5.250 4.891 4.422 5.295 0.045 7 0 "[ . 1 . 2]" 1
1027 1 28 LEU HB3 1 28 LEU QD 2.870 . 3.160 2.097 2.039 2.131 . 0 0 "[ . 1 . 2]" 1
1028 1 28 LEU HB3 2 17 ARG QD 4.080 . 4.490 2.970 2.277 3.945 . 0 0 "[ . 1 . 2]" 1
1029 1 28 LEU QD 1 29 THR H 4.160 . 4.580 4.055 4.000 4.098 . 0 0 "[ . 1 . 2]" 1
1030 1 28 LEU QD 1 31 PHE H 4.960 . 5.460 5.086 4.985 5.208 . 0 0 "[ . 1 . 2]" 1
1031 1 28 LEU QD 1 31 PHE QD 5.420 . 5.960 5.345 4.988 5.586 . 0 0 "[ . 1 . 2]" 1
1032 1 28 LEU QD 1 32 SER H 4.440 . 4.880 4.860 4.597 5.015 0.135 6 0 "[ . 1 . 2]" 1
1033 1 28 LEU QD 1 36 VAL HA 4.000 . 4.400 4.048 3.795 4.284 . 0 0 "[ . 1 . 2]" 1
1034 1 28 LEU QD 1 36 VAL QG 4.370 . 4.810 2.673 2.208 3.121 . 0 0 "[ . 1 . 2]" 1
1035 1 28 LEU QD 1 37 PRO QB 3.750 . 4.130 3.396 2.612 3.832 . 0 0 "[ . 1 . 2]" 1
1036 1 28 LEU QD 1 37 PRO QG 3.040 . 3.340 2.351 2.006 3.214 . 0 0 "[ . 1 . 2]" 1
1037 1 28 LEU QD 1 37 PRO HD2 4.410 . 4.850 2.314 2.148 2.571 . 0 0 "[ . 1 . 2]" 1
1038 1 28 LEU QD 1 38 VAL H 4.560 . 5.020 5.183 5.053 5.340 0.320 4 0 "[ . 1 . 2]" 1
1039 1 28 LEU QD 1 38 VAL HA 4.220 . 4.640 4.692 4.521 4.895 0.255 15 0 "[ . 1 . 2]" 1
1040 1 28 LEU QD 1 57 LEU QD 3.400 . 3.740 3.686 3.422 3.998 0.258 2 0 "[ . 1 . 2]" 1
1041 1 28 LEU QD 2 17 ARG QB 3.980 . 4.380 3.985 3.076 4.399 0.019 8 0 "[ . 1 . 2]" 1
1042 1 28 LEU MD1 2 17 ARG HB3 6.330 . 6.960 5.325 3.654 6.276 . 0 0 "[ . 1 . 2]" 1
1043 1 28 LEU MD2 2 17 ARG HB3 6.330 . 6.960 4.637 3.604 5.116 . 0 0 "[ . 1 . 2]" 1
1044 1 28 LEU QD 2 17 ARG QG 3.250 . 3.580 3.226 2.669 3.686 0.106 15 0 "[ . 1 . 2]" 1
1045 1 28 LEU QD 2 17 ARG QD 3.000 . 3.300 2.471 2.006 3.245 . 0 0 "[ . 1 . 2]" 1
1046 1 29 THR H 1 30 VAL QG 4.380 . 4.820 4.138 4.057 4.217 . 0 0 "[ . 1 . 2]" 1
1047 1 29 THR HB 1 30 VAL QG 3.980 . 4.380 3.145 2.970 3.262 . 0 0 "[ . 1 . 2]" 1
1048 1 29 THR MG 1 30 VAL QG 4.140 . 4.550 3.525 3.339 3.819 . 0 0 "[ . 1 . 2]" 1
1049 1 29 THR MG 2 18 TRP QB 5.270 . 5.800 4.117 3.973 4.286 . 0 0 "[ . 1 . 2]" 1
1050 1 30 VAL H 1 30 VAL QG 3.190 . 3.510 2.182 2.130 2.251 . 0 0 "[ . 1 . 2]" 1
1051 1 30 VAL QG 1 31 PHE HA 4.180 . 4.600 3.306 3.226 3.398 . 0 0 "[ . 1 . 2]" 1
1052 1 30 VAL QG 1 31 PHE QD 3.590 . 3.950 2.750 2.405 3.297 . 0 0 "[ . 1 . 2]" 1
1053 1 30 VAL QG 1 31 PHE QE 4.220 . 4.640 2.953 2.693 3.283 . 0 0 "[ . 1 . 2]" 1
1054 1 30 VAL QG 1 32 SER H 4.470 . 4.920 4.322 4.248 4.389 . 0 0 "[ . 1 . 2]" 1
1055 1 30 VAL QG 1 33 GLU H 5.830 . 6.410 5.272 4.548 5.453 . 0 0 "[ . 1 . 2]" 1
1056 1 30 VAL QG 1 34 TYR QE 5.390 . 5.930 3.794 2.671 5.561 . 0 0 "[ . 1 . 2]" 1
1057 1 30 VAL QG 1 57 LEU QD 5.690 . 6.260 4.762 4.449 5.014 . 0 0 "[ . 1 . 2]" 1
1058 1 30 VAL QG 1 72 LEU QD 3.040 . 3.340 2.053 1.826 2.630 . 0 0 "[ . 1 . 2]" 1
1059 1 30 VAL QG 1 77 ILE QG 4.010 . 4.410 3.948 3.220 4.428 0.018 9 0 "[ . 1 . 2]" 1
1060 1 30 VAL QG 1 77 ILE MD 3.250 . 3.580 2.474 2.025 2.884 . 0 0 "[ . 1 . 2]" 1
1061 1 31 PHE H 1 57 LEU QD 5.140 . 5.650 4.559 4.038 4.774 . 0 0 "[ . 1 . 2]" 1
1062 1 31 PHE HA 1 72 LEU QD 4.030 . 4.430 3.570 2.830 4.392 . 0 0 "[ . 1 . 2]" 1
1063 1 31 PHE QB 1 57 LEU QD 3.520 . 3.870 2.669 2.115 3.080 . 0 0 "[ . 1 . 2]" 1
1064 1 31 PHE HB2 1 57 LEU MD2 5.920 . 6.510 3.359 2.737 4.843 . 0 0 "[ . 1 . 2]" 1
1065 1 31 PHE QB 1 68 ALA MB 5.270 . 5.800 4.076 3.396 4.946 . 0 0 "[ . 1 . 2]" 1
1066 1 31 PHE QD 1 57 LEU QD 3.710 . 4.080 2.730 2.277 3.099 . 0 0 "[ . 1 . 2]" 1
1067 1 31 PHE QD 1 72 LEU QD 4.140 . 4.550 3.724 2.867 4.533 . 0 0 "[ . 1 . 2]" 1
1068 1 31 PHE QE 1 57 LEU QD 4.070 . 4.480 3.139 2.517 3.602 . 0 0 "[ . 1 . 2]" 1
1069 1 31 PHE QE 1 69 VAL QG 5.100 . 5.610 4.687 3.819 5.560 . 0 0 "[ . 1 . 2]" 1
1070 1 31 PHE QE 1 72 LEU QD 4.100 . 4.510 3.275 2.351 4.038 . 0 0 "[ . 1 . 2]" 1
1071 1 32 SER HA 1 37 PRO QG 4.690 . 5.160 5.259 5.114 5.342 0.182 11 0 "[ . 1 . 2]" 1
1072 1 34 TYR QB 1 68 ALA MB 5.190 . 5.710 2.604 2.046 5.009 . 0 0 "[ . 1 . 2]" 1
1073 1 34 TYR QB 1 72 LEU QD 4.480 . 4.930 3.434 2.312 5.135 0.205 16 0 "[ . 1 . 2]" 1
1074 1 34 TYR QD 1 72 LEU QD 4.070 . 4.480 2.679 2.279 3.889 . 0 0 "[ . 1 . 2]" 1
1075 1 34 TYR QE 1 67 LEU QB 4.570 . 5.030 4.160 2.244 5.087 0.057 5 0 "[ . 1 . 2]" 1
1076 1 34 TYR QE 1 72 LEU QD 3.530 . 3.880 2.541 2.146 3.391 . 0 0 "[ . 1 . 2]" 1
1077 1 35 GLY QA 2 12 ILE MD 3.850 . 4.230 3.667 2.972 4.283 0.053 17 0 "[ . 1 . 2]" 1
1078 1 36 VAL H 1 36 VAL QG 3.580 . 3.940 2.295 2.118 2.419 . 0 0 "[ . 1 . 2]" 1
1079 1 36 VAL HA 1 37 PRO QG 4.980 . 5.480 3.898 3.770 3.956 . 0 0 "[ . 1 . 2]" 1
1080 1 36 VAL QG 1 37 PRO HD2 3.970 . 4.370 2.402 2.091 2.864 . 0 0 "[ . 1 . 2]" 1
1081 1 37 PRO HA 1 38 VAL QG 3.930 . 4.320 3.250 3.161 3.921 . 0 0 "[ . 1 . 2]" 1
1082 1 37 PRO HA 1 57 LEU QD 4.330 . 4.760 4.206 3.562 5.109 0.349 11 0 "[ . 1 . 2]" 1
1083 1 37 PRO QB 1 57 LEU QD 3.090 . 3.400 2.539 1.990 3.317 . 0 0 "[ . 1 . 2]" 1
1084 1 37 PRO QG 1 57 LEU QD 3.430 . 3.770 2.016 1.812 2.322 . 0 0 "[ . 1 . 2]" 1
1085 1 38 VAL H 1 38 VAL QG 3.160 . 3.480 1.794 1.729 2.057 0.071 15 0 "[ . 1 . 2]" 1
1086 1 38 VAL HA 1 38 VAL QG 2.900 . 3.190 2.250 2.191 2.339 . 0 0 "[ . 1 . 2]" 1
1087 1 38 VAL QG 1 39 ASP H 3.300 . 3.630 2.444 2.195 2.845 . 0 0 "[ . 1 . 2]" 1
1088 1 38 VAL QG 1 39 ASP HA 4.430 . 4.870 4.019 3.619 4.218 . 0 0 "[ . 1 . 2]" 1
1089 1 38 VAL QG 1 39 ASP QB 3.820 . 4.200 2.647 2.357 2.932 . 0 0 "[ . 1 . 2]" 1
1090 1 38 VAL QG 1 58 LYS H 4.240 . 4.660 4.577 3.959 4.890 0.230 15 0 "[ . 1 . 2]" 1
1091 1 38 VAL QG 1 58 LYS HA 4.450 . 4.890 4.759 4.488 5.015 0.125 9 0 "[ . 1 . 2]" 1
1092 1 38 VAL QG 1 58 LYS QB 3.790 . 4.170 3.025 2.198 4.017 . 0 0 "[ . 1 . 2]" 1
1093 1 38 VAL QG 1 58 LYS QD 3.470 . 3.820 2.942 2.055 3.942 0.122 2 0 "[ . 1 . 2]" 1
1094 1 38 VAL QG 1 58 LYS QE 4.140 . 4.550 3.045 1.937 4.048 . 0 0 "[ . 1 . 2]" 1
1095 1 38 VAL QG 1 59 TYR HA 3.760 . 4.140 3.371 2.260 4.275 0.135 15 0 "[ . 1 . 2]" 1
1096 1 38 VAL QG 1 60 GLU HA 3.340 . 3.670 3.641 3.188 3.942 0.272 20 0 "[ . 1 . 2]" 1
1097 1 38 VAL QG 1 60 GLU QB 3.950 . 4.350 3.136 2.159 4.048 . 0 0 "[ . 1 . 2]" 1
1098 1 38 VAL QG 1 60 GLU QG 3.920 . 4.310 3.274 2.055 4.452 0.142 12 0 "[ . 1 . 2]" 1
1099 1 38 VAL QG 1 61 ASP H 4.960 . 5.460 5.247 4.494 5.619 0.159 11 0 "[ . 1 . 2]" 1
1100 1 39 ASP H 1 40 VAL QG 5.560 . 6.120 3.580 3.412 3.745 . 0 0 "[ . 1 . 2]" 1
1101 1 39 ASP HA 1 40 VAL QG 4.480 . 4.930 3.334 3.044 3.555 . 0 0 "[ . 1 . 2]" 1
1102 1 39 ASP QB 1 58 LYS QB 4.590 . 5.050 2.874 2.294 4.719 . 0 0 "[ . 1 . 2]" 1
1103 1 39 ASP QB 1 58 LYS QG 4.100 . 4.510 3.939 2.498 4.613 0.103 1 0 "[ . 1 . 2]" 1
1104 1 40 VAL H 1 40 VAL QG 3.350 . 3.690 2.543 2.014 2.858 . 0 0 "[ . 1 . 2]" 1
1105 1 40 VAL HA 1 40 VAL QG 3.150 . 3.470 2.146 2.038 2.364 . 0 0 "[ . 1 . 2]" 1
1106 1 40 VAL HB 1 57 LEU QD 4.400 . 4.840 4.122 2.646 5.070 0.230 2 0 "[ . 1 . 2]" 1
1107 1 40 VAL QG 1 41 ILE HA 4.320 . 4.750 3.834 3.646 3.965 . 0 0 "[ . 1 . 2]" 1
1108 1 40 VAL QG 1 42 LEU H 4.630 . 5.090 4.073 3.786 4.270 . 0 0 "[ . 1 . 2]" 1
1109 1 40 VAL QG 1 57 LEU H 4.350 . 4.790 4.572 4.050 4.912 0.122 9 0 "[ . 1 . 2]" 1
1110 1 40 VAL QG 1 57 LEU HA 3.640 . 4.000 2.719 2.271 3.275 . 0 0 "[ . 1 . 2]" 1
1111 1 40 VAL QG 1 57 LEU HG 3.920 . 4.310 2.766 2.116 3.899 . 0 0 "[ . 1 . 2]" 1
1112 1 40 VAL QG 1 57 LEU QD 2.880 . 3.170 2.139 1.743 2.732 0.057 5 0 "[ . 1 . 2]" 1
1113 1 40 VAL QG 1 58 LYS H 4.340 . 4.770 3.241 2.577 4.096 . 0 0 "[ . 1 . 2]" 1
1114 1 41 ILE H 1 57 LEU QD 5.920 . 6.510 4.588 3.896 5.581 . 0 0 "[ . 1 . 2]" 1
1115 1 41 ILE MG 1 43 SER QB 5.120 . 5.630 4.283 3.383 5.565 . 0 0 "[ . 1 . 2]" 1
1116 1 41 ILE MG 1 56 TYR QB 3.870 . 4.260 3.562 3.179 3.781 . 0 0 "[ . 1 . 2]" 1
1117 1 41 ILE MD 1 56 TYR QB 3.330 . 3.660 2.889 2.320 3.352 . 0 0 "[ . 1 . 2]" 1
1118 1 42 LEU H 1 42 LEU QD 4.260 . 4.690 2.893 2.187 3.781 . 0 0 "[ . 1 . 2]" 1
1119 1 42 LEU HA 1 42 LEU QD 3.090 . 3.400 2.296 1.891 3.287 . 0 0 "[ . 1 . 2]" 1
1120 1 42 LEU HA 1 43 SER QB 4.470 . 4.920 4.287 4.117 4.491 . 0 0 "[ . 1 . 2]" 1
1121 1 42 LEU QD 1 43 SER H 3.840 . 4.220 3.737 3.049 4.496 0.276 8 0 "[ . 1 . 2]" 1
1122 1 42 LEU QD 1 43 SER HA 5.890 . 6.480 5.258 4.822 5.557 . 0 0 "[ . 1 . 2]" 1
1123 1 42 LEU QD 1 43 SER QB 5.280 . 5.810 4.983 4.427 5.505 . 0 0 "[ . 1 . 2]" 1
1124 1 42 LEU QD 1 55 ALA HA 4.040 . 4.440 3.691 2.841 4.633 0.193 8 0 "[ . 1 . 2]" 1
1125 1 42 LEU QD 1 56 TYR H 5.090 . 5.600 3.791 3.169 4.621 . 0 0 "[ . 1 . 2]" 1
1126 1 43 SER QB 1 54 PHE QE 4.120 . 4.530 2.928 2.095 4.672 0.142 13 0 "[ . 1 . 2]" 1
1127 1 44 ARG H 1 44 ARG QD 4.700 . 5.170 4.494 3.986 5.250 0.080 10 0 "[ . 1 . 2]" 1
1128 1 45 ASP HA 1 46 GLU QG 4.490 . 4.940 4.012 3.618 4.796 . 0 0 "[ . 1 . 2]" 1
1129 1 46 GLU H 1 46 GLU QG 4.560 . 5.020 2.333 1.900 3.274 . 0 0 "[ . 1 . 2]" 1
1130 1 46 GLU HA 1 46 GLU QG 3.680 . 4.050 2.829 2.276 3.431 . 0 0 "[ . 1 . 2]" 1
1131 1 46 GLU QG 1 47 ASN H 4.520 . 4.970 3.602 2.384 4.682 . 0 0 "[ . 1 . 2]" 1
1132 1 47 ASN QB 1 48 THR MG 3.830 . 4.210 2.811 2.382 3.673 . 0 0 "[ . 1 . 2]" 1
1133 1 48 THR H 1 49 GLY QA 4.550 . 5.010 3.912 3.710 4.374 . 0 0 "[ . 1 . 2]" 1
1134 1 48 THR MG 1 49 GLY QA 4.280 . 4.710 3.964 2.872 5.006 0.296 13 0 "[ . 1 . 2]" 1
1135 1 48 THR MG 1 50 GLU QG 4.680 . 5.150 4.110 2.286 5.218 0.068 19 0 "[ . 1 . 2]" 1
1136 1 50 GLU H 1 50 GLU QG 4.320 . 4.750 2.927 2.007 4.319 . 0 0 "[ . 1 . 2]" 1
1137 1 50 GLU QG 1 51 SER H 4.380 . 4.820 3.566 2.071 4.772 . 0 0 "[ . 1 . 2]" 1
1138 1 52 GLN H 1 52 GLN QG 4.190 . 4.610 2.740 1.746 4.079 0.054 4 0 "[ . 1 . 2]" 1
1139 1 52 GLN HA 1 52 GLN QG 3.530 . 3.880 2.521 2.204 3.256 . 0 0 "[ . 1 . 2]" 1
1140 1 54 PHE QB 1 55 ALA MB 5.810 . 6.390 4.478 4.346 4.635 . 0 0 "[ . 1 . 2]" 1
1141 1 57 LEU H 1 57 LEU QD 4.320 . 4.750 3.318 1.732 3.873 0.068 11 0 "[ . 1 . 2]" 1
1142 1 57 LEU HA 1 57 LEU QD 3.710 . 4.080 2.592 1.986 3.436 . 0 0 "[ . 1 . 2]" 1
1143 1 57 LEU QD 1 58 LYS H 3.800 . 4.180 3.283 2.026 4.188 0.008 11 0 "[ . 1 . 2]" 1
1144 1 57 LEU QD 1 58 LYS HA 4.490 . 4.940 4.356 3.112 4.923 . 0 0 "[ . 1 . 2]" 1
1145 1 57 LEU QD 1 59 TYR H 3.870 . 4.260 4.309 3.060 4.687 0.427 17 0 "[ . 1 . 2]" 1
1146 1 57 LEU QD 1 59 TYR HA 4.280 . 4.710 4.414 2.940 4.909 0.199 11 0 "[ . 1 . 2]" 1
1147 1 57 LEU QD 1 65 THR HA 5.030 . 5.530 5.217 4.570 5.835 0.305 11 0 "[ . 1 . 2]" 1
1148 1 57 LEU QD 1 65 THR MG 4.670 . 5.140 4.341 3.293 5.058 . 0 0 "[ . 1 . 2]" 1
1149 1 57 LEU QD 1 68 ALA MB 4.960 . 5.460 4.082 3.580 4.800 . 0 0 "[ . 1 . 2]" 1
1150 1 58 LYS QE 1 58 LYS QG 3.320 . 3.650 2.302 2.127 2.729 . 0 0 "[ . 1 . 2]" 1
1151 1 59 TYR QB 1 65 THR MG 4.770 . 5.250 3.063 2.111 3.904 . 0 0 "[ . 1 . 2]" 1
1152 1 60 GLU H 1 60 GLU QG 4.600 . 5.060 3.354 2.192 4.065 . 0 0 "[ . 1 . 2]" 1
1153 1 60 GLU HA 1 60 GLU QG 3.470 . 3.820 2.519 2.266 3.300 . 0 0 "[ . 1 . 2]" 1
1154 1 60 GLU QG 1 61 ASP H 5.290 . 5.820 3.746 2.341 4.347 . 0 0 "[ . 1 . 2]" 1
1155 1 62 GLN QB 1 65 THR MG 4.820 . 5.300 3.744 2.865 4.216 . 0 0 "[ . 1 . 2]" 1
1156 1 62 GLN QG 1 65 THR MG 5.140 . 5.650 3.711 2.140 5.151 . 0 0 "[ . 1 . 2]" 1
1157 1 62 GLN QE 1 65 THR MG 5.810 . 6.390 5.327 3.127 6.493 0.103 1 0 "[ . 1 . 2]" 1
1158 1 64 SER HA 1 67 LEU QB 4.810 . 5.290 3.200 2.648 3.934 . 0 0 "[ . 1 . 2]" 1
1159 1 64 SER QB 1 65 THR MG 5.160 . 5.680 3.612 3.155 4.405 . 0 0 "[ . 1 . 2]" 1
1160 1 64 SER QB 2 12 ILE MG 5.280 . 5.810 4.245 3.488 5.570 . 0 0 "[ . 1 . 2]" 1
1161 1 64 SER QB 2 12 ILE MD 4.710 . 5.180 3.332 2.398 5.116 . 0 0 "[ . 1 . 2]" 1
1162 1 65 THR HB 1 69 VAL QG 4.660 . 5.130 3.223 2.583 3.737 . 0 0 "[ . 1 . 2]" 1
1163 1 65 THR MG 1 69 VAL QG 4.560 . 5.020 4.282 3.815 4.715 . 0 0 "[ . 1 . 2]" 1
1164 1 66 ILE QG 1 86 HIS HE1 4.300 . 4.730 3.499 2.962 4.607 . 0 0 "[ . 1 . 2]" 1
1165 1 67 LEU QB 1 68 ALA MB 4.290 . 4.720 3.713 3.539 3.940 . 0 0 "[ . 1 . 2]" 1
1166 1 67 LEU QB 2 10 PHE QE 5.260 . 5.790 4.861 4.331 5.294 . 0 0 "[ . 1 . 2]" 1
1167 1 67 LEU MD2 2 10 PHE QB 4.940 . 5.430 2.761 2.110 3.846 . 0 0 "[ . 1 . 2]" 1
1168 1 68 ALA HA 1 72 LEU QD 4.000 . 4.400 2.828 2.347 3.418 . 0 0 "[ . 1 . 2]" 1
1169 1 68 ALA MB 1 69 VAL QG 4.110 . 4.520 3.019 2.560 3.806 . 0 0 "[ . 1 . 2]" 1
1170 1 68 ALA MB 1 71 ASN QB 5.810 . 6.390 4.242 3.848 5.506 . 0 0 "[ . 1 . 2]" 1
1171 1 68 ALA MB 1 72 LEU QD 3.590 . 3.950 2.901 2.104 3.741 . 0 0 "[ . 1 . 2]" 1
1172 1 68 ALA MB 1 82 LEU QD 5.000 . 5.500 5.081 4.406 5.433 . 0 0 "[ . 1 . 2]" 1
1173 1 69 VAL H 1 69 VAL QG 3.220 . 3.540 2.157 1.751 2.526 0.049 19 0 "[ . 1 . 2]" 1
1174 1 69 VAL H 1 72 LEU QD 5.640 . 6.200 5.047 4.704 5.669 . 0 0 "[ . 1 . 2]" 1
1175 1 69 VAL QG 1 70 ASP H 3.930 . 4.320 2.582 1.709 3.311 0.091 8 0 "[ . 1 . 2]" 1
1176 1 69 VAL QG 1 70 ASP HA 3.900 . 4.290 3.094 2.928 3.472 . 0 0 "[ . 1 . 2]" 1
1177 1 69 VAL QG 1 73 ASN HB3 4.860 . 5.350 3.704 3.194 4.675 . 0 0 "[ . 1 . 2]" 1
1178 1 69 VAL QG 1 73 ASN QD 4.600 . 5.060 3.685 2.850 4.799 . 0 0 "[ . 1 . 2]" 1
1179 1 69 VAL QG 1 84 ILE HA 4.680 . 5.150 4.210 4.017 4.478 . 0 0 "[ . 1 . 2]" 1
1180 1 69 VAL QG 1 84 ILE HB 3.420 . 3.760 2.426 2.135 2.884 . 0 0 "[ . 1 . 2]" 1
1181 1 69 VAL QG 1 84 ILE MG 3.250 . 3.580 1.986 1.870 2.267 . 0 0 "[ . 1 . 2]" 1
1182 1 69 VAL QG 1 84 ILE MD 4.070 . 4.480 3.840 2.999 4.314 . 0 0 "[ . 1 . 2]" 1
1183 1 69 VAL QG 1 85 ASP H 4.440 . 4.880 4.107 3.798 4.477 . 0 0 "[ . 1 . 2]" 1
1184 1 69 VAL QG 1 85 ASP HA 3.790 . 4.170 3.501 3.184 3.855 . 0 0 "[ . 1 . 2]" 1
1185 1 69 VAL QG 1 85 ASP QB 5.400 . 5.940 4.770 4.498 5.122 . 0 0 "[ . 1 . 2]" 1
1186 1 69 VAL QG 1 86 HIS H 4.460 . 4.910 4.306 4.047 4.692 . 0 0 "[ . 1 . 2]" 1
1187 1 69 VAL QG 1 86 HIS HD2 3.730 . 4.100 3.347 2.710 4.167 0.067 6 0 "[ . 1 . 2]" 1
1188 1 69 VAL QG 1 86 HIS HE1 4.180 . 4.600 3.582 2.671 4.313 . 0 0 "[ . 1 . 2]" 1
1189 1 72 LEU H 1 72 LEU QD 3.800 . 4.180 2.700 1.900 3.370 . 0 0 "[ . 1 . 2]" 1
1190 1 72 LEU HA 1 82 LEU QD 3.590 . 3.950 3.524 2.773 3.998 0.048 14 0 "[ . 1 . 2]" 1
1191 1 72 LEU QB 1 84 ILE MG 4.660 . 5.130 3.934 3.473 4.486 . 0 0 "[ . 1 . 2]" 1
1192 1 72 LEU QB 1 84 ILE MD 3.490 . 3.840 2.542 1.969 2.975 . 0 0 "[ . 1 . 2]" 1
1193 1 72 LEU QD 1 75 PHE QB 3.560 . 3.920 2.963 2.323 3.384 . 0 0 "[ . 1 . 2]" 1
1194 1 72 LEU QD 1 75 PHE QD 3.810 . 4.190 2.796 2.172 3.582 . 0 0 "[ . 1 . 2]" 1
1195 1 72 LEU QD 1 75 PHE QE 5.520 . 6.070 3.903 3.366 4.512 . 0 0 "[ . 1 . 2]" 1
1196 1 72 LEU QD 1 77 ILE MD 3.760 . 4.140 2.816 2.231 3.544 . 0 0 "[ . 1 . 2]" 1
1197 1 72 LEU QD 1 82 LEU QD 3.440 . 3.780 2.309 1.891 3.019 . 0 0 "[ . 1 . 2]" 1
1198 1 72 LEU QD 1 84 ILE MD 3.470 . 3.820 3.284 2.514 3.785 . 0 0 "[ . 1 . 2]" 1
1199 1 72 LEU QD 2 23 ARG HA 4.240 . 4.660 4.870 4.436 5.089 0.429 1 0 "[ . 1 . 2]" 1
1200 1 72 LEU QD 2 24 SER H 4.820 . 5.300 4.502 3.516 5.309 0.009 19 0 "[ . 1 . 2]" 1
1201 1 72 LEU QD 2 24 SER HA 4.770 . 5.250 4.875 2.854 5.450 0.200 13 0 "[ . 1 . 2]" 1
1202 1 72 LEU QD 2 25 ASN H 4.600 . 5.060 5.065 4.125 5.363 0.303 12 0 "[ . 1 . 2]" 1
1203 1 72 LEU QD 2 25 ASN QB 4.170 . 4.590 3.669 2.600 4.872 0.282 5 0 "[ . 1 . 2]" 1
1204 1 73 ASN H 1 82 LEU QD 5.360 . 5.900 4.819 4.023 5.629 . 0 0 "[ . 1 . 2]" 1
1205 1 73 ASN HA 1 84 ILE QG 4.610 . 5.070 3.277 2.300 5.290 0.220 15 0 "[ . 1 . 2]" 1
1206 1 74 GLY QA 1 81 ALA MB 3.510 . 3.860 3.183 2.243 3.951 0.091 4 0 "[ . 1 . 2]" 1
1207 1 75 PHE H 1 82 LEU QD 3.910 . 4.300 3.611 2.648 4.410 0.110 10 0 "[ . 1 . 2]" 1
1208 1 75 PHE HA 1 82 LEU QD 4.600 . 5.060 4.807 4.275 5.335 0.275 9 0 "[ . 1 . 2]" 1
1209 1 75 PHE QB 1 77 ILE MD 3.830 . 4.210 3.952 2.641 4.562 0.352 11 0 "[ . 1 . 2]" 1
1210 1 75 PHE QB 1 82 LEU QD 4.060 . 4.470 2.900 2.199 3.448 . 0 0 "[ . 1 . 2]" 1
1211 1 75 PHE QD 1 77 ILE QG 3.970 . 4.370 3.192 2.186 4.388 0.018 16 0 "[ . 1 . 2]" 1
1212 1 75 PHE QD 1 82 LEU QD 3.850 . 4.230 3.125 2.236 3.589 . 0 0 "[ . 1 . 2]" 1
1213 1 75 PHE HZ 1 77 ILE QG 5.100 . 5.610 4.186 2.694 5.653 0.043 16 0 "[ . 1 . 2]" 1
1214 1 76 LYS H 1 76 LYS QD 4.550 . 5.010 3.881 2.210 4.642 . 0 0 "[ . 1 . 2]" 1
1215 1 76 LYS H 1 76 LYS QE 4.600 . 5.060 4.586 4.146 4.907 . 0 0 "[ . 1 . 2]" 1
1216 1 76 LYS QB 1 76 LYS QE 4.140 . 4.550 2.762 2.125 3.854 . 0 0 "[ . 1 . 2]" 1
1217 1 76 LYS QB 1 81 ALA HA 4.870 . 5.360 4.291 4.009 4.949 . 0 0 "[ . 1 . 2]" 1
1218 1 76 LYS QE 1 76 LYS QG 3.130 . 3.440 2.248 2.120 2.836 . 0 0 "[ . 1 . 2]" 1
1219 1 76 LYS QG 1 77 ILE H 4.630 . 5.090 3.697 2.569 4.558 . 0 0 "[ . 1 . 2]" 1
1220 1 76 LYS QG 1 81 ALA H 4.580 . 5.040 4.322 3.392 5.261 0.221 14 0 "[ . 1 . 2]" 1
1221 1 76 LYS QG 1 81 ALA HA 4.160 . 4.580 3.656 3.030 4.222 . 0 0 "[ . 1 . 2]" 1
1222 1 76 LYS QG 1 81 ALA MB 3.500 . 3.850 3.171 2.216 4.054 0.204 11 0 "[ . 1 . 2]" 1
1223 1 76 LYS QD 1 81 ALA HA 5.550 . 6.110 4.744 2.860 5.893 . 0 0 "[ . 1 . 2]" 1
1224 1 76 LYS QE 1 81 ALA HA 4.300 . 4.730 4.739 3.865 4.983 0.253 15 0 "[ . 1 . 2]" 1
1225 1 76 LYS QE 1 81 ALA MB 3.340 . 3.670 3.360 2.500 3.954 0.284 14 0 "[ . 1 . 2]" 1
1226 1 77 ILE H 1 82 LEU QD 4.010 . 4.410 3.700 2.808 4.465 0.055 12 0 "[ . 1 . 2]" 1
1227 1 77 ILE HB 1 82 LEU QD 3.430 . 3.770 2.594 2.026 3.523 . 0 0 "[ . 1 . 2]" 1
1228 1 77 ILE QG 1 82 LEU QD 4.040 . 4.440 3.494 2.883 4.102 . 0 0 "[ . 1 . 2]" 1
1229 1 79 GLY QA 1 80 ARG QG 4.360 . 4.800 3.924 3.234 5.030 0.230 4 0 "[ . 1 . 2]" 1
1230 1 80 ARG H 1 80 ARG QG 4.170 . 4.590 3.211 1.888 4.165 . 0 0 "[ . 1 . 2]" 1
1231 1 80 ARG H 1 80 ARG QD 4.150 . 4.570 3.899 2.860 4.718 0.148 11 0 "[ . 1 . 2]" 1
1232 1 80 ARG QB 1 80 ARG QD 3.070 . 3.380 2.235 2.118 2.676 . 0 0 "[ . 1 . 2]" 1
1233 1 80 ARG QB 1 81 ALA H 4.360 . 4.800 2.791 2.266 3.153 . 0 0 "[ . 1 . 2]" 1
1234 1 80 ARG QD 1 81 ALA H 4.200 . 4.620 4.335 3.537 4.685 0.065 14 0 "[ . 1 . 2]" 1
1235 1 81 ALA HA 1 82 LEU QB 4.370 . 4.810 4.459 4.169 4.716 . 0 0 "[ . 1 . 2]" 1
1236 1 81 ALA HA 1 82 LEU QD 4.170 . 4.590 3.337 2.603 4.585 . 0 0 "[ . 1 . 2]" 1
1237 1 82 LEU H 1 82 LEU QD 3.680 . 4.050 2.135 1.758 3.443 0.042 20 0 "[ . 1 . 2]" 1
1238 1 82 LEU HA 1 82 LEU QD 3.610 . 3.970 2.928 2.265 3.280 . 0 0 "[ . 1 . 2]" 1
1239 1 82 LEU QB 1 84 ILE MD 3.740 . 4.110 2.689 2.258 3.384 . 0 0 "[ . 1 . 2]" 1
1240 1 82 LEU QD 1 83 LYS H 3.570 . 3.930 3.666 2.594 4.032 0.102 20 0 "[ . 1 . 2]" 1
1241 1 82 LEU QD 1 83 LYS HB3 5.690 . 6.260 5.503 4.851 5.975 . 0 0 "[ . 1 . 2]" 1
1242 1 82 LEU QD 1 84 ILE H 4.670 . 5.140 4.597 3.757 5.388 0.248 10 0 "[ . 1 . 2]" 1
1243 1 83 LYS H 1 83 LYS QG 4.870 . 5.360 4.075 3.926 4.182 . 0 0 "[ . 1 . 2]" 1
1244 1 83 LYS HA 1 83 LYS QD 4.430 . 4.870 3.394 2.164 4.134 . 0 0 "[ . 1 . 2]" 1
1245 1 83 LYS QG 1 84 ILE H 4.130 . 4.540 3.029 2.622 3.345 . 0 0 "[ . 1 . 2]" 1
1246 1 83 LYS QG 1 84 ILE HA 4.840 . 5.320 4.085 3.754 4.517 . 0 0 "[ . 1 . 2]" 1
1247 1 83 LYS QD 1 84 ILE H 5.010 . 5.510 4.549 2.908 5.384 . 0 0 "[ . 1 . 2]" 1
1248 1 84 ILE MG 1 85 ASP QB 4.560 . 5.020 4.524 4.126 4.912 . 0 0 "[ . 1 . 2]" 1
1249 1 85 ASP QB 1 86 HIS H 4.020 . 4.420 3.286 2.542 3.617 . 0 0 "[ . 1 . 2]" 1
1250 1 89 TYR QD 1 90 ARG QB 5.810 . 6.390 4.726 4.207 5.143 . 0 0 "[ . 1 . 2]" 1
1251 1 89 TYR QD 1 91 PRO QB 5.680 . 6.250 5.342 3.832 6.237 . 0 0 "[ . 1 . 2]" 1
1252 1 89 TYR QE 1 91 PRO QB 4.610 . 5.070 4.497 3.605 5.156 0.086 8 0 "[ . 1 . 2]" 1
1253 1 90 ARG H 1 90 ARG QG 4.390 . 4.830 2.639 1.792 4.005 0.008 3 0 "[ . 1 . 2]" 1
1254 1 90 ARG H 1 90 ARG QD 4.770 . 5.250 3.648 1.794 4.548 0.006 19 0 "[ . 1 . 2]" 1
1255 1 90 ARG HA 1 91 PRO QG 4.490 . 4.940 3.983 3.866 4.052 . 0 0 "[ . 1 . 2]" 1
1256 1 90 ARG QB 1 91 PRO HD2 4.300 . 4.730 2.640 2.247 4.071 . 0 0 "[ . 1 . 2]" 1
1257 1 90 ARG QB 1 91 PRO HD3 3.970 . 4.370 3.673 3.187 4.346 . 0 0 "[ . 1 . 2]" 1
1258 1 90 ARG QG 1 91 PRO HD2 4.930 . 5.420 3.486 2.345 4.367 . 0 0 "[ . 1 . 2]" 1
1259 1 95 LEU HA 1 95 LEU QD 3.120 . 3.430 2.307 1.968 3.418 . 0 0 "[ . 1 . 2]" 1
1260 1 95 LEU HA 1 98 TYR QB 4.210 . 4.630 3.667 2.290 4.730 0.100 15 0 "[ . 1 . 2]" 1
1261 1 95 LEU QD 1 98 TYR QD 3.840 . 4.220 2.873 2.260 3.862 . 0 0 "[ . 1 . 2]" 1
1262 1 95 LEU QD 1 98 TYR QE 3.990 . 4.390 3.569 2.099 4.510 0.120 1 0 "[ . 1 . 2]" 1
1263 1 98 TYR QD 1 102 VAL QG 4.300 . 4.730 3.325 2.244 4.644 . 0 0 "[ . 1 . 2]" 1
1264 1 98 TYR QE 1 102 VAL QG 3.160 . 3.480 3.003 2.180 3.585 0.105 20 0 "[ . 1 . 2]" 1
1265 1 99 TYR HA 1 102 VAL QG 3.410 . 3.750 2.671 2.171 3.767 0.017 7 0 "[ . 1 . 2]" 1
1266 1 99 TYR QB 1 100 GLU HA 4.290 . 4.720 4.115 3.727 4.698 . 0 0 "[ . 1 . 2]" 1
1267 1 99 TYR QD 1 102 VAL QG 3.560 . 3.920 3.507 2.810 3.995 0.075 7 0 "[ . 1 . 2]" 1
1268 1 99 TYR QE 1 102 VAL QG 4.210 . 4.630 3.917 2.731 4.829 0.199 14 0 "[ . 1 . 2]" 1
1269 1 101 ALA HA 1 105 GLU QB 3.850 . 4.230 3.763 2.287 4.447 0.217 14 0 "[ . 1 . 2]" 1
1270 1 101 ALA MB 1 102 VAL QG 4.120 . 4.530 3.442 2.562 4.310 . 0 0 "[ . 1 . 2]" 1
1271 1 102 VAL H 1 102 VAL QG 3.530 . 3.880 2.075 1.742 2.585 0.058 6 0 "[ . 1 . 2]" 1
1272 1 102 VAL HA 1 102 VAL QG 2.730 . 3.000 2.183 2.057 2.329 . 0 0 "[ . 1 . 2]" 1
1273 1 102 VAL QG 1 103 LYS HA 3.510 . 3.860 3.556 2.958 4.031 0.171 9 0 "[ . 1 . 2]" 1
1274 1 102 VAL QG 1 103 LYS QB 3.910 . 4.300 2.981 2.283 4.240 . 0 0 "[ . 1 . 2]" 1
1275 1 103 LYS HA 1 103 LYS QG 3.400 . 3.740 2.508 2.249 3.304 . 0 0 "[ . 1 . 2]" 1
1276 1 104 GLU H 1 104 GLU QG 4.800 . 5.280 2.872 2.030 4.262 . 0 0 "[ . 1 . 2]" 1
1277 1 106 LEU HA 1 106 LEU QD 3.060 . 3.370 2.420 1.967 3.449 0.079 5 0 "[ . 1 . 2]" 1
1278 1 107 ASP QB 1 110 ILE MG 4.480 . 4.930 4.390 2.825 5.129 0.199 11 0 "[ . 1 . 2]" 1
1279 1 108 ARG HA 1 108 ARG QD 4.630 . 5.090 3.921 2.223 4.457 . 0 0 "[ . 1 . 2]" 1
1280 1 108 ARG QB 1 108 ARG QD 3.200 . 3.520 2.239 2.123 2.864 . 0 0 "[ . 1 . 2]" 1
1281 1 110 ILE H 1 110 ILE QG 4.490 . 4.940 2.718 1.860 4.141 . 0 0 "[ . 1 . 2]" 1
1282 1 110 ILE HA 1 110 ILE QG 3.560 . 3.920 2.959 2.255 3.497 . 0 0 "[ . 1 . 2]" 1
1283 2 3 LYS H 2 3 LYS QB 3.640 . 4.000 2.459 2.256 2.803 . 0 0 "[ . 1 . 2]" 1
1284 2 3 LYS HA 2 4 PRO QG 4.540 . 4.990 3.997 3.935 4.046 . 0 0 "[ . 1 . 2]" 1
1285 2 3 LYS QB 2 3 LYS QE 4.130 . 4.540 3.367 2.252 3.647 . 0 0 "[ . 1 . 2]" 1
1286 2 3 LYS QB 2 4 PRO HD2 3.390 . 3.730 2.522 2.266 3.762 0.032 18 0 "[ . 1 . 2]" 1
1287 2 3 LYS QB 2 4 PRO HD3 3.750 . 4.130 3.631 3.337 4.285 0.155 18 0 "[ . 1 . 2]" 1
1288 2 3 LYS QG 2 4 PRO HD2 4.480 . 4.930 3.472 2.179 4.185 . 0 0 "[ . 1 . 2]" 1
1289 2 3 LYS QG 2 4 PRO HD3 5.180 . 5.700 4.170 3.434 5.012 . 0 0 "[ . 1 . 2]" 1
1290 2 5 ALA HA 2 6 PRO QG 4.460 . 4.910 4.220 3.921 5.292 0.382 7 0 "[ . 1 . 2]" 1
1291 2 5 ALA HA 2 6 PRO QD 3.210 . 3.530 2.318 1.996 3.480 . 0 0 "[ . 1 . 2]" 1
1292 2 6 PRO QB 2 7 GLU H 3.760 . 4.140 2.986 2.607 3.251 . 0 0 "[ . 1 . 2]" 1
1293 2 7 GLU H 2 7 GLU QB 3.490 . 3.840 2.700 2.259 3.400 . 0 0 "[ . 1 . 2]" 1
1294 2 7 GLU H 2 7 GLU QG 4.510 . 4.960 2.737 1.768 4.358 0.032 10 0 "[ . 1 . 2]" 1
1295 2 7 GLU QB 2 8 ASN H 3.600 . 3.960 2.895 1.795 3.812 0.005 17 0 "[ . 1 . 2]" 1
1296 2 7 GLU QB 2 31 TRP HE3 5.810 . 6.390 5.667 4.167 6.467 0.077 9 0 "[ . 1 . 2]" 1
1297 2 7 GLU QB 2 32 PHE QD 4.380 . 4.820 4.166 3.003 4.977 0.157 16 0 "[ . 1 . 2]" 1
1298 2 7 GLU QB 2 32 PHE QE 3.720 . 4.090 2.740 2.308 3.212 . 0 0 "[ . 1 . 2]" 1
1299 2 7 GLU QB 2 32 PHE HZ 3.990 . 4.390 3.366 2.233 4.470 0.080 6 0 "[ . 1 . 2]" 1
1300 2 7 GLU QG 2 8 ASN H 3.960 . 4.360 3.514 1.807 4.426 0.066 19 0 "[ . 1 . 2]" 1
1301 2 7 GLU QG 2 32 PHE QD 5.150 . 5.670 4.806 3.462 5.786 0.116 15 0 "[ . 1 . 2]" 1
1302 2 7 GLU QG 2 32 PHE QE 3.970 . 4.370 3.680 2.882 4.285 . 0 0 "[ . 1 . 2]" 1
1303 2 7 GLU QG 2 32 PHE HZ 4.770 . 5.250 4.328 2.980 5.307 0.057 3 0 "[ . 1 . 2]" 1
1304 2 8 ASN QB 2 32 PHE HZ 4.950 . 5.440 4.812 2.710 5.754 0.314 14 0 "[ . 1 . 2]" 1
1305 2 10 PHE HA 2 12 ILE QG 4.410 . 4.850 4.677 4.240 4.972 0.122 9 0 "[ . 1 . 2]" 1
1306 2 10 PHE QB 2 12 ILE MG 4.620 . 5.080 4.661 4.228 4.954 . 0 0 "[ . 1 . 2]" 1
1307 2 10 PHE QB 2 12 ILE MD 3.730 . 4.100 2.821 2.410 3.060 . 0 0 "[ . 1 . 2]" 1
1308 2 10 PHE QD 2 12 ILE QG 5.140 . 5.650 3.913 3.335 4.530 . 0 0 "[ . 1 . 2]" 1
1309 2 12 ILE HA 2 13 MET QG 4.660 . 5.130 4.189 3.618 5.166 0.036 6 0 "[ . 1 . 2]" 1
1310 2 12 ILE MG 2 13 MET QG 4.790 . 5.270 4.437 3.019 5.324 0.054 19 0 "[ . 1 . 2]" 1
1311 2 13 MET H 2 13 MET QB 3.330 . 3.660 2.426 2.235 2.907 . 0 0 "[ . 1 . 2]" 1
1312 2 13 MET H 2 13 MET QG 3.530 . 3.880 2.621 1.760 3.657 0.040 4 0 "[ . 1 . 2]" 1
1313 2 13 MET QB 2 14 PRO HD2 3.740 . 4.110 2.390 2.208 3.330 . 0 0 "[ . 1 . 2]" 1
1314 2 13 MET QG 2 14 PRO HD2 4.330 . 4.760 3.675 2.667 4.710 . 0 0 "[ . 1 . 2]" 1
1315 2 13 MET QG 2 14 PRO HD3 5.110 . 5.620 4.329 3.473 4.784 . 0 0 "[ . 1 . 2]" 1
1316 2 14 PRO QB 2 15 GLY H 4.120 . 4.530 2.909 2.619 3.192 . 0 0 "[ . 1 . 2]" 1
1317 2 14 PRO QG 2 18 TRP HE3 3.840 . 4.220 3.805 3.387 4.221 0.001 15 0 "[ . 1 . 2]" 1
1318 2 14 PRO QG 2 18 TRP HZ3 4.570 . 5.030 3.710 3.154 4.014 . 0 0 "[ . 1 . 2]" 1
1319 2 16 SER QB 2 17 ARG H 4.470 . 4.920 3.044 2.509 3.621 . 0 0 "[ . 1 . 2]" 1
1320 2 17 ARG H 2 17 ARG QG 4.420 . 4.860 3.750 2.227 4.067 . 0 0 "[ . 1 . 2]" 1
1321 2 17 ARG H 2 17 ARG QD 4.680 . 5.150 4.406 3.708 4.741 . 0 0 "[ . 1 . 2]" 1
1322 2 17 ARG HA 2 17 ARG QD 3.420 . 3.760 3.614 2.216 4.065 0.305 5 0 "[ . 1 . 2]" 1
1323 2 17 ARG QB 2 17 ARG QD 3.200 . 3.520 2.262 2.109 2.403 . 0 0 "[ . 1 . 2]" 1
1324 2 18 TRP QB 2 18 TRP HZ3 5.100 . 5.610 4.732 4.710 4.752 . 0 0 "[ . 1 . 2]" 1
1325 2 18 TRP HD1 2 21 VAL QG 4.600 . 5.060 3.842 2.442 4.726 . 0 0 "[ . 1 . 2]" 1
1326 2 18 TRP HE1 2 21 VAL QG 5.030 . 5.530 3.215 1.870 4.161 . 0 0 "[ . 1 . 2]" 1
1327 2 18 TRP HZ2 2 21 VAL QG 5.330 . 5.860 4.426 3.598 5.083 . 0 0 "[ . 1 . 2]" 1
1328 2 19 ASP QB 2 21 VAL QG 4.460 . 4.910 2.425 2.035 3.510 . 0 0 "[ . 1 . 2]" 1
1329 2 20 GLY H 2 21 VAL QG 4.200 . 4.620 3.822 3.117 4.101 . 0 0 "[ . 1 . 2]" 1
1330 2 21 VAL H 2 21 VAL QG 3.360 . 3.700 2.250 1.776 2.543 0.024 9 0 "[ . 1 . 2]" 1
1331 2 21 VAL QG 2 22 HIS H 3.530 . 3.880 2.409 1.925 3.324 . 0 0 "[ . 1 . 2]" 1
1332 2 21 VAL QG 2 22 HIS QB 4.880 . 5.370 3.815 3.129 4.580 . 0 0 "[ . 1 . 2]" 1
1333 2 21 VAL QG 2 22 HIS HD2 5.380 . 5.920 4.804 2.557 5.940 0.020 7 0 "[ . 1 . 2]" 1
1334 2 22 HIS H 2 22 HIS QB 3.560 . 3.920 2.500 2.260 2.879 . 0 0 "[ . 1 . 2]" 1
1335 2 27 PHE QB 2 28 GLU H 4.170 . 4.590 2.932 2.375 3.641 . 0 0 "[ . 1 . 2]" 1
1336 2 28 GLU HA 2 31 TRP QB 4.800 . 5.280 3.928 2.277 5.190 . 0 0 "[ . 1 . 2]" 1
1337 2 28 GLU QB 2 31 TRP H 4.930 . 5.420 4.547 4.079 5.496 0.076 9 0 "[ . 1 . 2]" 1
1338 2 29 GLU HA 2 29 GLU QG 3.500 . 3.850 2.646 2.276 3.305 . 0 0 "[ . 1 . 2]" 1
1339 2 29 GLU HA 2 32 PHE QB 4.120 . 4.530 2.917 2.156 3.499 . 0 0 "[ . 1 . 2]" 1
1340 2 29 GLU QG 2 30 LYS H 4.330 . 4.760 3.660 1.857 4.504 . 0 0 "[ . 1 . 2]" 1
1341 2 29 GLU QG 2 30 LYS HG2 5.810 . 6.390 5.564 2.585 6.617 0.227 17 0 "[ . 1 . 2]" 1
1342 2 29 GLU QG 2 33 ALA MB 4.220 . 4.640 3.489 2.279 4.634 . 0 0 "[ . 1 . 2]" 1
1343 2 30 LYS H 2 30 LYS QB 3.410 . 3.750 2.460 2.287 2.813 . 0 0 "[ . 1 . 2]" 1
1344 2 30 LYS QB 2 31 TRP H 3.960 . 4.360 3.387 2.922 3.568 . 0 0 "[ . 1 . 2]" 1
1345 2 30 LYS QB 2 31 TRP HD1 5.810 . 6.390 5.877 4.251 6.517 0.127 20 0 "[ . 1 . 2]" 1
1346 2 30 LYS QE 2 30 LYS HG2 3.700 . 4.070 2.606 2.242 3.525 . 0 0 "[ . 1 . 2]" 1
1347 2 31 TRP HA 2 34 LYS QB 3.950 . 4.350 2.963 2.371 3.442 . 0 0 "[ . 1 . 2]" 1
1348 2 31 TRP HA 2 34 LYS QG 5.210 . 5.730 4.041 2.791 5.150 . 0 0 "[ . 1 . 2]" 1
1349 2 31 TRP QB 2 32 PHE H 3.990 . 4.390 2.699 2.310 3.616 . 0 0 "[ . 1 . 2]" 1
1350 2 31 TRP QB 2 32 PHE QD 4.820 . 5.300 3.861 2.742 5.625 0.325 9 0 "[ . 1 . 2]" 1
1351 2 31 TRP HE3 2 35 GLN QB 4.710 . 5.180 4.229 2.580 5.281 0.101 11 0 "[ . 1 . 2]" 1
1352 2 31 TRP HE3 2 35 GLN QG 4.780 . 5.260 3.876 2.356 5.034 . 0 0 "[ . 1 . 2]" 1
1353 2 31 TRP HZ3 2 35 GLN QG 4.440 . 4.880 3.493 2.615 4.844 . 0 0 "[ . 1 . 2]" 1
1354 2 31 TRP HH2 2 35 GLN QG 5.330 . 5.860 3.901 2.945 5.958 0.098 17 0 "[ . 1 . 2]" 1
1355 2 32 PHE H 2 32 PHE QB 3.640 . 4.000 2.230 2.054 2.345 . 0 0 "[ . 1 . 2]" 1
1356 2 32 PHE HA 2 35 GLN QB 4.170 . 4.590 2.662 2.245 3.100 . 0 0 "[ . 1 . 2]" 1
1357 2 32 PHE HA 2 35 GLN QG 3.300 . 3.630 3.466 3.079 4.029 0.399 17 0 "[ . 1 . 2]" 1
1358 2 32 PHE QB 2 33 ALA H 4.130 . 4.540 2.662 2.461 2.886 . 0 0 "[ . 1 . 2]" 1
1359 2 32 PHE QB 2 33 ALA MB 4.140 . 4.550 3.897 3.677 4.046 . 0 0 "[ . 1 . 2]" 1
1360 2 32 PHE QD 2 35 GLN QG 5.640 . 6.200 4.495 3.560 5.346 . 0 0 "[ . 1 . 2]" 1
1361 2 33 ALA HA 2 35 GLN QB 5.330 . 5.860 5.053 4.845 5.420 . 0 0 "[ . 1 . 2]" 1
1362 2 33 ALA HA 2 36 ASN QB 3.800 . 4.180 2.808 2.561 3.215 . 0 0 "[ . 1 . 2]" 1
1363 2 33 ALA MB 2 36 ASN QB 4.310 . 4.740 4.077 3.850 4.366 . 0 0 "[ . 1 . 2]" 1
1364 2 34 LYS H 2 34 LYS QB 3.370 . 3.710 2.297 2.117 2.486 . 0 0 "[ . 1 . 2]" 1
1365 2 34 LYS H 2 34 LYS QG 4.400 . 4.840 3.256 1.998 4.069 . 0 0 "[ . 1 . 2]" 1
1366 2 34 LYS HA 2 34 LYS QG 3.610 . 3.970 2.618 2.239 2.913 . 0 0 "[ . 1 . 2]" 1
1367 2 34 LYS HA 2 34 LYS QD 3.670 . 4.040 2.291 2.119 3.599 . 0 0 "[ . 1 . 2]" 1
1368 2 34 LYS HA 2 34 LYS QE 5.050 . 5.560 4.063 3.797 4.517 . 0 0 "[ . 1 . 2]" 1
1369 2 34 LYS HA 2 37 GLU QB 3.220 . 3.540 2.623 2.316 3.027 . 0 0 "[ . 1 . 2]" 1
1370 2 34 LYS QB 2 34 LYS QE 3.440 . 3.780 3.526 2.174 3.833 0.053 12 0 "[ . 1 . 2]" 1
1371 2 34 LYS QD 2 37 GLU QB 3.720 . 4.090 3.551 3.137 4.248 0.158 5 0 "[ . 1 . 2]" 1
1372 2 35 GLN HA 2 35 GLN QE 5.350 . 5.890 3.297 2.572 4.663 . 0 0 "[ . 1 . 2]" 1
1373 2 35 GLN HA 2 38 ILE QG 4.310 . 4.740 3.400 2.246 4.931 0.191 8 0 "[ . 1 . 2]" 1
1374 2 35 GLN QB 2 36 ASN QB 4.360 . 4.800 4.064 3.814 4.392 . 0 0 "[ . 1 . 2]" 1
1375 2 37 GLU H 2 37 GLU QB 3.650 . 4.020 2.295 2.232 2.579 . 0 0 "[ . 1 . 2]" 1
1376 2 37 GLU HA 2 37 GLU QG 3.100 . 3.410 2.412 2.270 2.804 . 0 0 "[ . 1 . 2]" 1
1377 2 37 GLU QB 2 38 ILE H 3.890 . 4.280 2.706 2.361 3.840 . 0 0 "[ . 1 . 2]" 1
1378 2 37 GLU QG 2 38 ILE H 3.810 . 4.190 3.938 3.491 4.530 0.340 2 0 "[ . 1 . 2]" 1
1379 2 38 ILE QG 2 38 ILE MG 2.800 . 3.080 2.240 2.117 2.296 . 0 0 "[ . 1 . 2]" 1
1380 2 40 GLU HA 2 40 GLU QG 3.650 . 4.020 2.611 2.245 3.301 . 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 40
_Distance_constraint_stats_list.Viol_count 368
_Distance_constraint_stats_list.Viol_total 3247.463
_Distance_constraint_stats_list.Viol_max 1.968
_Distance_constraint_stats_list.Viol_rms 0.3751
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2030
_Distance_constraint_stats_list.Viol_average_violations_only 0.4412
_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 13 ILE 22.126 1.579 11 6 "[** -.* 1+ *. 2]"
1 14 TYR 6.133 0.372 11 0 "[ . 1 . 2]"
1 15 ILE 20.614 1.340 9 8 "[** . * +** - * 2]"
1 25 GLY 0.099 0.076 7 0 "[ . 1 . 2]"
1 26 ASP 0.186 0.076 5 0 "[ . 1 . 2]"
1 27 ILE 0.006 0.006 15 0 "[ . 1 . 2]"
1 28 LEU 4.341 0.289 19 0 "[ . 1 . 2]"
1 29 THR 0.099 0.076 7 0 "[ . 1 . 2]"
1 30 VAL 0.186 0.076 5 0 "[ . 1 . 2]"
1 31 PHE 0.006 0.006 15 0 "[ . 1 . 2]"
1 32 SER 4.341 0.289 19 0 "[ . 1 . 2]"
1 39 ASP 33.131 1.393 11 17 "[****** ***+-* * ****]"
1 41 ILE 1.781 0.185 12 0 "[ . 1 . 2]"
1 43 SER 36.053 1.968 8 15 "[ ** ***+*-** *** * *]"
1 54 PHE 36.053 1.968 8 15 "[ ** ***+*-** *** * *]"
1 55 ALA 20.614 1.340 9 8 "[** . * +** - * 2]"
1 56 TYR 1.781 0.185 12 0 "[ . 1 . 2]"
1 57 LEU 22.126 1.579 11 6 "[** -.* 1+ *. 2]"
1 58 LYS 33.131 1.393 11 17 "[****** ***+-* * ****]"
1 63 ARG 27.412 1.513 12 16 "[*** * **-**+***** *]"
1 64 SER 7.831 0.783 20 5 "[** . 1 - *. +]"
1 65 THR 0.197 0.110 14 0 "[ . 1 . 2]"
1 66 ILE 1.098 0.148 19 0 "[ . 1 . 2]"
1 67 LEU 28.780 1.513 12 16 "[*** * *-***+***** *]"
1 68 ALA 7.831 0.783 20 5 "[** . 1 - *. +]"
1 69 VAL 0.197 0.110 14 0 "[ . 1 . 2]"
1 70 ASP 1.098 0.148 19 0 "[ . 1 . 2]"
1 71 ASN 1.368 0.517 8 1 "[ . + 1 . 2]"
1 85 ASP 6.133 0.372 11 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 13 ILE H 1 57 LEU O 2.000 . 2.200 2.426 1.784 3.500 1.300 11 5 "[** *. 1+ -. 2]" 2
2 1 13 ILE N 1 57 LEU O 3.000 2.700 3.300 3.348 2.735 4.343 1.043 11 3 "[* -. 1+ . 2]" 2
3 1 13 ILE O 1 57 LEU H 2.000 . 2.200 2.543 1.750 3.779 1.579 11 5 "[** *.- 1+ . 2]" 2
4 1 13 ILE O 1 57 LEU N 3.000 2.700 3.300 3.443 2.713 4.623 1.323 11 5 "[** *.- 1+ . 2]" 2
5 1 14 TYR H 1 85 ASP O 2.000 . 2.200 1.677 1.428 1.866 0.372 11 0 "[ . 1 . 2]" 2
6 1 14 TYR N 1 85 ASP O 3.000 2.700 3.300 2.588 2.398 2.792 0.302 11 0 "[ . 1 . 2]" 2
7 1 14 TYR O 1 85 ASP H 2.000 . 2.200 2.212 1.889 2.386 0.186 14 0 "[ . 1 . 2]" 2
8 1 14 TYR O 1 85 ASP N 3.000 2.700 3.300 3.076 2.838 3.216 . 0 0 "[ . 1 . 2]" 2
9 1 15 ILE H 1 55 ALA O 2.000 . 2.200 2.367 2.006 3.141 0.941 9 5 "[ * . * +1* - 2]" 2
10 1 15 ILE N 1 55 ALA O 3.000 2.700 3.300 3.306 2.953 4.115 0.815 9 3 "[ . * +1- . 2]" 2
11 1 15 ILE O 1 55 ALA H 2.000 . 2.200 2.571 2.041 3.540 1.340 9 8 "[** . * +-* * * 2]" 2
12 1 15 ILE O 1 55 ALA N 3.000 2.700 3.300 3.412 2.874 4.458 1.158 9 5 "[ . * +1* - * 2]" 2
13 1 39 ASP H 1 58 LYS O 2.000 . 2.200 3.001 2.309 3.593 1.393 11 17 "[****** ***+-* * ****]" 2
14 1 39 ASP N 1 58 LYS O 3.000 2.700 3.300 3.925 3.153 4.487 1.187 11 13 "[* **** **+ - * ***2]" 2
15 1 39 ASP O 1 58 LYS H 2.000 . 2.200 2.356 2.017 3.053 0.853 10 2 "[ - . + . 2]" 2
16 1 39 ASP O 1 58 LYS N 3.000 2.700 3.300 3.178 2.940 3.740 0.440 10 0 "[ . 1 . 2]" 2
17 1 41 ILE H 1 56 TYR O 2.000 . 2.200 2.034 1.617 2.287 0.183 1 0 "[ . 1 . 2]" 2
18 1 41 ILE N 1 56 TYR O 3.000 2.700 3.300 2.956 2.525 3.206 0.175 1 0 "[ . 1 . 2]" 2
19 1 41 ILE O 1 56 TYR H 2.000 . 2.200 2.046 1.700 2.385 0.185 12 0 "[ . 1 . 2]" 2
20 1 41 ILE O 1 56 TYR N 3.000 2.700 3.300 2.998 2.673 3.347 0.047 12 0 "[ . 1 . 2]" 2
21 1 43 SER H 1 54 PHE O 2.000 . 2.200 3.213 2.062 4.168 1.968 8 15 "[ ** ***+*-** *** * *]" 2
22 1 43 SER N 1 54 PHE O 3.000 2.700 3.300 4.020 2.968 4.869 1.569 11 15 "[ ** *****-+* *** * *]" 2
23 1 25 GLY O 1 29 THR H 2.000 . 2.200 2.108 1.899 2.276 0.076 7 0 "[ . 1 . 2]" 2
24 1 25 GLY O 1 29 THR N 3.000 2.700 3.300 3.056 2.848 3.233 . 0 0 "[ . 1 . 2]" 2
25 1 26 ASP O 1 30 VAL H 2.000 . 2.200 2.096 1.767 2.276 0.076 5 0 "[ . 1 . 2]" 2
26 1 26 ASP O 1 30 VAL N 3.000 2.700 3.300 3.021 2.711 3.183 . 0 0 "[ . 1 . 2]" 2
27 1 27 ILE O 1 31 PHE H 2.000 . 2.200 1.992 1.802 2.206 0.006 15 0 "[ . 1 . 2]" 2
28 1 27 ILE O 1 31 PHE N 3.000 2.700 3.300 2.960 2.778 3.177 . 0 0 "[ . 1 . 2]" 2
29 1 28 LEU O 1 32 SER H 2.000 . 2.200 1.851 1.727 2.041 0.073 4 0 "[ . 1 . 2]" 2
30 1 28 LEU O 1 32 SER N 3.000 2.700 3.300 2.489 2.411 2.682 0.289 19 0 "[ . 1 . 2]" 2
31 1 63 ARG O 1 67 LEU H 2.000 . 2.200 2.978 2.041 3.713 1.513 12 16 "[*** * *****+***-* *]" 2
32 1 63 ARG O 1 67 LEU N 3.000 2.700 3.300 3.848 2.987 4.535 1.235 12 12 "[** * **-* + ** * *]" 2
33 1 64 SER O 1 68 ALA H 2.000 . 2.200 2.384 1.909 2.983 0.783 20 5 "[** . 1 * -. +]" 2
34 1 64 SER O 1 68 ALA N 3.000 2.700 3.300 3.324 2.864 3.904 0.604 20 3 "[ * . 1 - . +]" 2
35 1 65 THR O 1 69 VAL H 2.000 . 2.200 2.058 1.763 2.310 0.110 14 0 "[ . 1 . 2]" 2
36 1 65 THR O 1 69 VAL N 3.000 2.700 3.300 2.986 2.721 3.216 . 0 0 "[ . 1 . 2]" 2
37 1 66 ILE O 1 70 ASP H 2.000 . 2.200 2.154 1.720 2.348 0.148 19 0 "[ . 1 . 2]" 2
38 1 66 ILE O 1 70 ASP N 3.000 2.700 3.300 3.049 2.642 3.293 0.058 9 0 "[ . 1 . 2]" 2
39 1 67 LEU O 1 71 ASN H 2.000 . 2.200 2.134 1.760 2.717 0.517 8 1 "[ . + 1 . 2]" 2
40 1 67 LEU O 1 71 ASN N 3.000 2.700 3.300 2.895 2.587 3.244 0.113 6 0 "[ . 1 . 2]" 2
stop_
save_
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