NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
449390 |
2osr   |
7382 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2osr
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 1495
_Distance_constraint_stats_list.Viol_count 2214
_Distance_constraint_stats_list.Viol_total 3775.084
_Distance_constraint_stats_list.Viol_max 0.759
_Distance_constraint_stats_list.Viol_rms 0.0388
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0853
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 11.622 0.630 8 9 "[* * * *+*-* *. 2]"
1 2 LEU 4.702 0.381 18 0 "[ . 1 . 2]"
1 3 PRO 3.458 0.513 12 1 "[ . 1 + . 2]"
1 4 ALA 3.052 0.513 12 1 "[ . 1 + . 2]"
1 5 LYS 4.615 0.477 15 0 "[ . 1 . 2]"
1 6 ARG 0.339 0.096 14 0 "[ . 1 . 2]"
1 7 TYR 6.318 0.167 18 0 "[ . 1 . 2]"
1 8 ARG 2.823 0.528 8 2 "[ . + 1 .- 2]"
1 9 ILE 4.526 0.483 9 0 "[ . 1 . 2]"
1 10 THR 4.019 0.526 20 1 "[ . 1 . +]"
1 11 MET 0.529 0.054 14 0 "[ . 1 . 2]"
1 12 LYS 2.139 0.281 18 0 "[ . 1 . 2]"
1 13 ASN 4.140 0.437 19 0 "[ . 1 . 2]"
1 14 LEU 1.359 0.121 18 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 1.215 0.075 12 0 "[ . 1 . 2]"
1 17 GLY 0.082 0.047 16 0 "[ . 1 . 2]"
1 18 CYS 4.449 0.364 19 0 "[ . 1 . 2]"
1 19 SER 4.437 0.195 14 0 "[ . 1 . 2]"
1 20 TRP 4.456 0.110 3 0 "[ . 1 . 2]"
1 21 GLN 2.688 0.192 14 0 "[ . 1 . 2]"
1 22 ASP 19.290 0.520 11 2 "[ - . 1+ . 2]"
1 23 LEU 3.022 0.189 3 0 "[ . 1 . 2]"
1 24 LYS 4.414 0.362 11 0 "[ . 1 . 2]"
1 25 ASP 8.827 0.520 11 2 "[ - . 1+ . 2]"
1 26 LEU 1.117 0.080 19 0 "[ . 1 . 2]"
1 27 ALA 0.305 0.048 18 0 "[ . 1 . 2]"
1 28 ARG 1.294 0.149 17 0 "[ . 1 . 2]"
1 29 GLU 0.310 0.041 20 0 "[ . 1 . 2]"
1 30 ASN 2.278 0.075 20 0 "[ . 1 . 2]"
1 31 SER 1.259 0.258 19 0 "[ . 1 . 2]"
1 32 LEU 2.415 0.087 8 0 "[ . 1 . 2]"
1 33 GLU 2.161 0.266 5 0 "[ . 1 . 2]"
1 34 THR 4.877 0.266 5 0 "[ . 1 . 2]"
1 35 THR 4.730 0.527 9 1 "[ . +1 . 2]"
1 36 PHE 3.680 0.147 20 0 "[ . 1 . 2]"
1 37 SER 2.003 0.133 14 0 "[ . 1 . 2]"
1 38 SER 5.652 0.532 14 1 "[ . 1 +. 2]"
1 39 VAL 4.272 0.313 13 0 "[ . 1 . 2]"
1 40 ASN 3.307 0.673 19 1 "[ . 1 . +2]"
1 41 THR 0.211 0.153 15 0 "[ . 1 . 2]"
1 42 ARG 1.297 0.181 20 0 "[ . 1 . 2]"
1 43 ASP 5.712 0.673 19 4 "[ * - 1 . * +2]"
1 44 PHE 7.041 0.747 6 4 "[ * -+ 1 . * 2]"
1 45 ASP 1.616 0.303 14 0 "[ . 1 . 2]"
1 46 GLY 1.572 0.225 9 0 "[ . 1 . 2]"
1 47 THR 1.608 0.303 14 0 "[ . 1 . 2]"
1 48 GLY 1.303 0.121 18 0 "[ . 1 . 2]"
1 49 ALA 3.385 0.532 14 1 "[ . 1 +. 2]"
1 50 LEU 4.649 0.312 20 0 "[ . 1 . 2]"
1 51 GLU 9.675 0.528 8 3 "[ . +*1 .- 2]"
1 52 PHE 5.421 0.153 13 0 "[ . 1 . 2]"
1 53 PRO 0.505 0.155 20 0 "[ . 1 . 2]"
1 54 SER 0.441 0.075 3 0 "[ . 1 . 2]"
1 55 GLU 7.959 0.467 18 0 "[ . 1 . 2]"
1 56 GLU 3.105 0.414 13 0 "[ . 1 . 2]"
1 57 ILE 5.056 0.414 13 0 "[ . 1 . 2]"
1 58 LEU 10.668 0.467 18 0 "[ . 1 . 2]"
1 59 VAL 2.191 0.149 20 0 "[ . 1 . 2]"
1 60 GLU 0.109 0.029 15 0 "[ . 1 . 2]"
1 61 ALA 2.504 0.372 18 0 "[ . 1 . 2]"
1 62 LEU 1.355 0.164 19 0 "[ . 1 . 2]"
1 63 GLU 3.068 0.168 10 0 "[ . 1 . 2]"
1 64 ARG 5.505 0.389 8 0 "[ . 1 . 2]"
1 65 LEU 0.287 0.103 10 0 "[ . 1 . 2]"
1 66 ASN 0.876 0.096 19 0 "[ . 1 . 2]"
1 67 ASN 0.529 0.124 19 0 "[ . 1 . 2]"
1 68 ILE 1.474 0.103 19 0 "[ . 1 . 2]"
1 69 GLU 9.245 0.734 20 5 "[ .* * 1 .*- +]"
1 70 PHE 0.762 0.337 18 0 "[ . 1 . 2]"
1 71 ARG 11.544 0.539 15 2 "[ . 1 + - 2]"
1 72 GLY 10.664 0.734 20 6 "[ .* 1 **-* +]"
1 73 SER 9.850 0.591 8 2 "[ . + 1 . -]"
1 74 VAL 4.244 0.363 19 0 "[ . 1 . 2]"
1 75 ILE 1.963 0.102 18 0 "[ . 1 . 2]"
1 76 THR 4.669 0.281 18 0 "[ . 1 . 2]"
1 77 VAL 0.871 0.284 19 0 "[ . 1 . 2]"
1 78 GLU 3.766 0.483 9 0 "[ . 1 . 2]"
1 79 ARG 1.672 0.239 19 0 "[ . 1 . 2]"
1 80 ASP 1.359 0.526 20 1 "[ . 1 . +]"
1 81 ASP 11.353 0.759 13 10 "[ * **- 1* +*.* * *]"
1 82 ASN 16.674 0.759 13 5 "[ * .- 1 + . * *]"
1 83 PRO 6.515 0.231 13 0 "[ . 1 . 2]"
1 85 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.700 0.195 9 0 "[ . 1 . 2]"
1 87 ARG 0.437 0.195 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS H1 1 1 LYS HB3 . . 3.110 3.446 2.410 3.740 0.630 8 9 "[* * * *+*-* *. 2]" 1
2 1 1 LYS H1 1 1 LYS QG . . 2.800 2.372 1.937 2.782 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS HB3 1 2 LEU H . . 4.090 3.373 2.102 4.246 0.156 8 0 "[ . 1 . 2]" 1
4 1 1 LYS HB2 1 2 LEU H . . 3.710 3.465 2.182 4.091 0.381 18 0 "[ . 1 . 2]" 1
5 1 1 LYS H1 1 1 LYS QE . . 4.720 4.050 2.440 4.726 0.006 18 0 "[ . 1 . 2]" 1
6 1 1 LYS HA 1 2 LEU H . . 2.880 2.472 2.150 3.124 0.244 9 0 "[ . 1 . 2]" 1
7 1 1 LYS HA 1 2 LEU QD . . 3.810 3.180 2.428 4.069 0.259 8 0 "[ . 1 . 2]" 1
8 1 1 LYS HA 1 2 LEU HG . . 4.940 3.910 3.243 4.917 . 0 0 "[ . 1 . 2]" 1
9 1 2 LEU HA 1 3 PRO HD2 . . 3.480 2.274 2.037 2.493 . 0 0 "[ . 1 . 2]" 1
10 1 2 LEU QD 1 3 PRO HD3 . . 4.850 4.295 3.660 4.653 . 0 0 "[ . 1 . 2]" 1
11 1 2 LEU H 1 2 LEU QB . . 3.350 3.019 2.249 3.386 0.036 12 0 "[ . 1 . 2]" 1
12 1 2 LEU HA 1 3 PRO HD3 . . 3.460 2.574 2.303 2.921 . 0 0 "[ . 1 . 2]" 1
13 1 2 LEU HA 1 2 LEU QD . . 3.540 2.844 2.123 3.376 . 0 0 "[ . 1 . 2]" 1
14 1 2 LEU H 1 2 LEU QD . . 3.270 2.651 2.059 3.254 . 0 0 "[ . 1 . 2]" 1
15 1 2 LEU H 1 3 PRO HD3 . . 5.200 4.091 2.630 5.084 . 0 0 "[ . 1 . 2]" 1
16 1 2 LEU QB 1 3 PRO HD3 . . 4.470 3.781 3.199 4.454 . 0 0 "[ . 1 . 2]" 1
17 1 2 LEU QB 1 3 PRO HD2 . . 3.830 2.828 1.944 3.932 0.102 10 0 "[ . 1 . 2]" 1
18 1 2 LEU QD 1 3 PRO HD2 . . 4.810 3.731 2.519 4.733 . 0 0 "[ . 1 . 2]" 1
19 1 2 LEU H 1 3 PRO HD2 . . 4.850 4.308 3.181 4.811 . 0 0 "[ . 1 . 2]" 1
20 1 2 LEU H 1 2 LEU HG . . 3.810 2.601 2.044 3.803 . 0 0 "[ . 1 . 2]" 1
21 1 2 LEU H 1 3 PRO HA . . 5.500 4.964 4.150 5.502 0.002 1 0 "[ . 1 . 2]" 1
22 1 3 PRO HB3 1 4 ALA H . . 3.520 3.425 3.195 4.033 0.513 12 1 "[ . 1 + . 2]" 1
23 1 3 PRO HD2 1 4 ALA H . . 5.500 5.470 5.348 5.592 0.092 16 0 "[ . 1 . 2]" 1
24 1 3 PRO HA 1 4 ALA H . . 2.700 2.481 2.151 2.655 . 0 0 "[ . 1 . 2]" 1
25 1 3 PRO HA 1 4 ALA MB . . 4.130 3.880 3.712 4.242 0.112 15 0 "[ . 1 . 2]" 1
26 1 3 PRO HD3 1 4 ALA H . . 5.500 5.462 5.373 5.566 0.066 16 0 "[ . 1 . 2]" 1
27 1 3 PRO HB2 1 4 ALA H . . 3.970 2.499 2.038 3.580 . 0 0 "[ . 1 . 2]" 1
28 1 4 ALA H 1 5 LYS H . . 4.300 4.144 3.117 4.391 0.091 16 0 "[ . 1 . 2]" 1
29 1 4 ALA H 1 4 ALA MB . . 2.970 2.656 2.325 2.877 . 0 0 "[ . 1 . 2]" 1
30 1 4 ALA HA 1 5 LYS H . . 2.550 2.220 2.141 2.579 0.029 16 0 "[ . 1 . 2]" 1
31 1 4 ALA H 1 4 ALA HA . . 2.940 2.863 2.276 2.948 0.008 18 0 "[ . 1 . 2]" 1
32 1 4 ALA MB 1 5 LYS HA . . 4.810 4.089 3.873 4.265 . 0 0 "[ . 1 . 2]" 1
33 1 5 LYS H 1 6 ARG H . . 4.160 3.774 3.156 4.168 0.008 18 0 "[ . 1 . 2]" 1
34 1 5 LYS H 1 5 LYS HB2 . . 3.380 3.213 2.464 3.857 0.477 15 0 "[ . 1 . 2]" 1
35 1 5 LYS H 1 5 LYS QG . . 3.440 2.470 2.147 3.396 . 0 0 "[ . 1 . 2]" 1
36 1 5 LYS HA 1 5 LYS QG . . 3.440 2.944 2.304 3.437 . 0 0 "[ . 1 . 2]" 1
37 1 5 LYS H 1 5 LYS QD . . 4.830 3.720 2.124 4.776 . 0 0 "[ . 1 . 2]" 1
38 1 5 LYS H 1 6 ARG QG . . 5.280 3.958 3.089 5.142 . 0 0 "[ . 1 . 2]" 1
39 1 5 LYS H 1 5 LYS HB3 . . 4.050 3.553 3.184 3.835 . 0 0 "[ . 1 . 2]" 1
40 1 5 LYS HA 1 6 ARG H . . 2.550 2.329 2.141 2.646 0.096 14 0 "[ . 1 . 2]" 1
41 1 5 LYS H 1 5 LYS QE . . 5.090 4.391 3.499 4.974 . 0 0 "[ . 1 . 2]" 1
42 1 6 ARG H 1 58 LEU MD2 . . 5.500 4.756 4.299 5.239 . 0 0 "[ . 1 . 2]" 1
43 1 6 ARG H 1 7 TYR H . . 4.610 4.416 4.350 4.498 . 0 0 "[ . 1 . 2]" 1
44 1 6 ARG H 1 6 ARG QB . . 3.820 2.647 2.272 3.336 . 0 0 "[ . 1 . 2]" 1
45 1 6 ARG QB 1 8 ARG HD2 . . 5.500 4.545 3.675 5.132 . 0 0 "[ . 1 . 2]" 1
46 1 6 ARG QD 1 7 TYR H . . 4.420 3.592 2.882 4.420 0.000 10 0 "[ . 1 . 2]" 1
47 1 6 ARG HA 1 7 TYR H . . 2.730 2.622 2.452 2.729 . 0 0 "[ . 1 . 2]" 1
48 1 6 ARG QB 1 8 ARG QG . . 3.800 2.455 2.055 2.928 . 0 0 "[ . 1 . 2]" 1
49 1 6 ARG H 1 6 ARG QG . . 4.050 2.841 1.930 3.937 . 0 0 "[ . 1 . 2]" 1
50 1 6 ARG H 1 6 ARG QD . . 4.680 4.019 2.479 4.720 0.040 14 0 "[ . 1 . 2]" 1
51 1 6 ARG QB 1 7 TYR HB2 . . 5.500 4.721 4.531 4.976 . 0 0 "[ . 1 . 2]" 1
52 1 6 ARG QB 1 8 ARG H . . 5.200 2.835 2.701 3.074 . 0 0 "[ . 1 . 2]" 1
53 1 6 ARG H 1 7 TYR HA . . 5.350 4.932 4.644 5.264 . 0 0 "[ . 1 . 2]" 1
54 1 6 ARG QB 1 8 ARG HA . . 5.500 5.016 4.838 5.154 . 0 0 "[ . 1 . 2]" 1
55 1 6 ARG HA 1 6 ARG QD . . 4.510 2.734 1.964 4.393 . 0 0 "[ . 1 . 2]" 1
56 1 6 ARG QB 1 7 TYR H . . 3.380 2.003 1.903 2.298 . 0 0 "[ . 1 . 2]" 1
57 1 6 ARG H 1 8 ARG H . . 5.430 4.912 4.659 5.200 . 0 0 "[ . 1 . 2]" 1
58 1 7 TYR H 1 7 TYR QD . . 3.410 3.305 2.796 3.460 0.050 2 0 "[ . 1 . 2]" 1
59 1 7 TYR HB2 1 52 PHE H . . 3.790 2.977 2.805 3.143 . 0 0 "[ . 1 . 2]" 1
60 1 7 TYR HB3 1 8 ARG H . . 5.210 4.528 4.490 4.557 . 0 0 "[ . 1 . 2]" 1
61 1 7 TYR QE 1 55 GLU HB3 . . 4.100 3.869 3.578 4.098 . 0 0 "[ . 1 . 2]" 1
62 1 7 TYR HB2 1 8 ARG H . . 4.840 4.249 4.187 4.299 . 0 0 "[ . 1 . 2]" 1
63 1 7 TYR HB3 1 59 VAL H . . 5.500 5.541 5.508 5.591 0.091 17 0 "[ . 1 . 2]" 1
64 1 7 TYR HA 1 58 LEU MD1 . . 4.720 2.270 1.948 2.527 . 0 0 "[ . 1 . 2]" 1
65 1 7 TYR H 1 8 ARG H . . 4.320 2.757 2.483 2.977 . 0 0 "[ . 1 . 2]" 1
66 1 7 TYR HA 1 7 TYR QD . . 4.000 2.578 2.272 2.977 . 0 0 "[ . 1 . 2]" 1
67 1 7 TYR HA 1 58 LEU H . . 5.500 5.538 5.458 5.602 0.102 16 0 "[ . 1 . 2]" 1
68 1 7 TYR QD 1 58 LEU HB3 . . 4.270 3.722 3.500 3.935 . 0 0 "[ . 1 . 2]" 1
69 1 7 TYR H 1 58 LEU MD1 . . 4.280 4.340 4.276 4.441 0.161 11 0 "[ . 1 . 2]" 1
70 1 7 TYR HA 1 8 ARG H . . 2.860 2.737 2.654 2.820 . 0 0 "[ . 1 . 2]" 1
71 1 7 TYR QE 1 55 GLU HB2 . . 3.750 2.302 2.021 2.624 . 0 0 "[ . 1 . 2]" 1
72 1 7 TYR HB3 1 54 SER H . . 5.280 4.526 4.113 4.800 . 0 0 "[ . 1 . 2]" 1
73 1 7 TYR H 1 51 GLU HG2 . . 4.610 4.574 3.945 4.777 0.167 18 0 "[ . 1 . 2]" 1
74 1 7 TYR HB3 1 52 PHE H . . 4.170 3.562 3.348 3.768 . 0 0 "[ . 1 . 2]" 1
75 1 7 TYR HB3 1 58 LEU MD1 . . 4.960 3.140 2.805 3.352 . 0 0 "[ . 1 . 2]" 1
76 1 7 TYR QD 1 52 PHE H . . 4.880 4.743 4.567 4.882 0.002 17 0 "[ . 1 . 2]" 1
77 1 7 TYR H 1 7 TYR HB3 . . 4.060 3.862 3.808 3.936 . 0 0 "[ . 1 . 2]" 1
78 1 7 TYR QD 1 55 GLU HB2 . . 5.190 2.930 2.121 3.463 . 0 0 "[ . 1 . 2]" 1
79 1 7 TYR H 1 7 TYR HB2 . . 3.290 2.944 2.830 3.107 . 0 0 "[ . 1 . 2]" 1
80 1 7 TYR QD 1 55 GLU HB3 . . 4.610 4.209 3.713 4.621 0.011 13 0 "[ . 1 . 2]" 1
81 1 7 TYR QD 1 55 GLU H . . 4.110 3.957 3.617 4.132 0.022 2 0 "[ . 1 . 2]" 1
82 1 7 TYR QE 1 55 GLU HG3 . . 4.620 2.856 2.169 4.719 0.099 12 0 "[ . 1 . 2]" 1
83 1 7 TYR QE 1 55 GLU HG2 . . 4.720 4.127 3.194 4.582 . 0 0 "[ . 1 . 2]" 1
84 1 7 TYR H 1 51 GLU HB2 . . 5.500 5.499 5.393 5.560 0.060 14 0 "[ . 1 . 2]" 1
85 1 7 TYR HA 1 7 TYR QE . . 5.500 4.740 4.575 4.915 . 0 0 "[ . 1 . 2]" 1
86 1 7 TYR QE 1 55 GLU HA . . 4.910 3.892 3.713 4.079 . 0 0 "[ . 1 . 2]" 1
87 1 7 TYR H 1 58 LEU MD2 . . 5.500 4.366 4.311 4.502 . 0 0 "[ . 1 . 2]" 1
88 1 7 TYR QD 1 51 GLU HG2 . . 5.500 4.367 4.049 4.812 . 0 0 "[ . 1 . 2]" 1
89 1 7 TYR QD 1 58 LEU MD2 . . 3.600 2.348 2.040 2.849 . 0 0 "[ . 1 . 2]" 1
90 1 7 TYR HB3 1 58 LEU H . . 4.360 4.084 3.994 4.173 . 0 0 "[ . 1 . 2]" 1
91 1 7 TYR QD 1 55 GLU HA . . 3.960 2.544 2.069 2.997 . 0 0 "[ . 1 . 2]" 1
92 1 7 TYR QD 1 8 ARG H . . 5.010 4.776 4.571 4.933 . 0 0 "[ . 1 . 2]" 1
93 1 7 TYR QD 1 55 GLU HG2 . . 5.500 3.440 2.213 4.329 . 0 0 "[ . 1 . 2]" 1
94 1 7 TYR HA 1 58 LEU MD2 . . 5.280 1.999 1.943 2.153 . 0 0 "[ . 1 . 2]" 1
95 1 7 TYR HA 1 58 LEU HG . . 4.810 4.186 4.113 4.252 . 0 0 "[ . 1 . 2]" 1
96 1 7 TYR QD 1 55 GLU HG3 . . 5.490 2.321 1.991 3.652 . 0 0 "[ . 1 . 2]" 1
97 1 7 TYR HB2 1 51 GLU HB2 . . 5.500 5.467 5.282 5.562 0.062 9 0 "[ . 1 . 2]" 1
98 1 7 TYR H 1 51 GLU HG3 . . 4.770 3.488 3.314 4.146 . 0 0 "[ . 1 . 2]" 1
99 1 7 TYR HB3 1 55 GLU H . . 5.190 4.608 4.410 4.791 . 0 0 "[ . 1 . 2]" 1
100 1 7 TYR H 1 7 TYR QE . . 4.940 4.686 4.378 4.805 . 0 0 "[ . 1 . 2]" 1
101 1 7 TYR QE 1 55 GLU H . . 3.850 3.812 3.625 3.906 0.056 19 0 "[ . 1 . 2]" 1
102 1 7 TYR HB2 1 55 GLU H . . 5.500 5.540 5.495 5.592 0.092 9 0 "[ . 1 . 2]" 1
103 1 7 TYR HA 1 52 PHE H . . 5.320 4.593 4.442 4.700 . 0 0 "[ . 1 . 2]" 1
104 1 8 ARG HA 1 52 PHE H . . 3.940 3.268 3.159 3.384 . 0 0 "[ . 1 . 2]" 1
105 1 8 ARG H 1 9 ILE MG . . 5.500 4.000 3.816 4.367 . 0 0 "[ . 1 . 2]" 1
106 1 8 ARG HD2 1 9 ILE H . . 5.500 5.132 3.843 5.519 0.019 9 0 "[ . 1 . 2]" 1
107 1 8 ARG HA 1 9 ILE HG13 . . 5.500 3.650 3.222 4.152 . 0 0 "[ . 1 . 2]" 1
108 1 8 ARG H 1 80 ASP H . . 5.500 5.232 4.775 5.542 0.042 13 0 "[ . 1 . 2]" 1
109 1 8 ARG H 1 8 ARG HD3 . . 5.500 4.655 4.209 4.914 . 0 0 "[ . 1 . 2]" 1
110 1 8 ARG QG 1 9 ILE H . . 4.840 4.172 3.405 4.400 . 0 0 "[ . 1 . 2]" 1
111 1 8 ARG H 1 8 ARG HB3 . . 3.840 3.152 2.936 3.769 . 0 0 "[ . 1 . 2]" 1
112 1 8 ARG HB2 1 50 LEU H . . 5.500 4.788 4.391 5.812 0.312 20 0 "[ . 1 . 2]" 1
113 1 8 ARG H 1 9 ILE H . . 4.860 4.419 4.352 4.503 . 0 0 "[ . 1 . 2]" 1
114 1 8 ARG H 1 58 LEU MD1 . . 4.070 2.835 2.498 3.075 . 0 0 "[ . 1 . 2]" 1
115 1 8 ARG HA 1 51 GLU H . . 4.680 4.624 4.558 4.669 . 0 0 "[ . 1 . 2]" 1
116 1 8 ARG HB2 1 9 ILE H . . 3.920 3.050 2.617 3.485 . 0 0 "[ . 1 . 2]" 1
117 1 8 ARG H 1 8 ARG HD2 . . 5.220 4.550 4.178 4.927 . 0 0 "[ . 1 . 2]" 1
118 1 8 ARG H 1 8 ARG QG . . 2.580 2.226 2.062 2.433 . 0 0 "[ . 1 . 2]" 1
119 1 8 ARG HA 1 51 GLU HB2 . . 4.520 2.880 2.737 3.134 . 0 0 "[ . 1 . 2]" 1
120 1 8 ARG HA 1 9 ILE HG12 . . 5.500 4.983 4.668 5.130 . 0 0 "[ . 1 . 2]" 1
121 1 8 ARG HA 1 51 GLU HA . . 3.700 1.952 1.894 1.984 . 0 0 "[ . 1 . 2]" 1
122 1 8 ARG H 1 51 GLU HB2 . . 5.120 4.939 4.789 5.073 . 0 0 "[ . 1 . 2]" 1
123 1 8 ARG H 1 79 ARG QB . . 5.150 4.617 4.403 4.792 . 0 0 "[ . 1 . 2]" 1
124 1 8 ARG HD2 1 51 GLU HB2 . . 5.500 5.236 3.396 6.028 0.528 8 2 "[ . + 1 .- 2]" 1
125 1 8 ARG H 1 8 ARG HB2 . . 4.130 3.729 2.897 3.820 . 0 0 "[ . 1 . 2]" 1
126 1 8 ARG HD3 1 9 ILE H . . 5.500 4.804 3.582 5.630 0.130 17 0 "[ . 1 . 2]" 1
127 1 8 ARG H 1 58 LEU MD2 . . 5.390 3.600 3.359 3.876 . 0 0 "[ . 1 . 2]" 1
128 1 8 ARG HA 1 9 ILE H . . 2.980 2.212 2.158 2.350 . 0 0 "[ . 1 . 2]" 1
129 1 9 ILE MD 1 78 GLU H . . 5.240 3.572 2.714 4.591 . 0 0 "[ . 1 . 2]" 1
130 1 9 ILE HA 1 80 ASP H . . 3.140 2.792 2.468 3.159 0.019 13 0 "[ . 1 . 2]" 1
131 1 9 ILE MG 1 10 THR H . . 4.240 3.577 3.266 3.845 . 0 0 "[ . 1 . 2]" 1
132 1 9 ILE H 1 58 LEU MD1 . . 4.260 3.558 3.161 4.029 . 0 0 "[ . 1 . 2]" 1
133 1 9 ILE MD 1 50 LEU H . . 3.300 2.764 2.029 3.350 0.050 20 0 "[ . 1 . 2]" 1
134 1 9 ILE H 1 51 GLU HB3 . . 5.500 5.526 5.404 5.597 0.097 19 0 "[ . 1 . 2]" 1
135 1 9 ILE HB 1 50 LEU H . . 5.500 5.208 4.666 5.522 0.022 17 0 "[ . 1 . 2]" 1
136 1 9 ILE H 1 50 LEU HA . . 5.500 4.993 4.795 5.118 . 0 0 "[ . 1 . 2]" 1
137 1 9 ILE HA 1 79 ARG H . . 4.730 4.476 4.255 4.621 . 0 0 "[ . 1 . 2]" 1
138 1 9 ILE H 1 50 LEU HB2 . . 5.000 4.836 3.871 5.139 0.139 17 0 "[ . 1 . 2]" 1
139 1 9 ILE HA 1 79 ARG HA . . 3.440 1.977 1.874 2.080 . 0 0 "[ . 1 . 2]" 1
140 1 9 ILE HA 1 58 LEU MD1 . . 4.990 3.896 3.650 4.005 . 0 0 "[ . 1 . 2]" 1
141 1 9 ILE H 1 79 ARG QB . . 5.500 5.513 5.318 5.739 0.239 19 0 "[ . 1 . 2]" 1
142 1 9 ILE HG12 1 78 GLU H . . 5.500 5.457 5.129 5.983 0.483 9 0 "[ . 1 . 2]" 1
143 1 9 ILE HB 1 9 ILE MD . . 3.180 2.139 2.030 2.355 . 0 0 "[ . 1 . 2]" 1
144 1 9 ILE MD 1 11 MET H . . 4.630 3.763 3.292 4.412 . 0 0 "[ . 1 . 2]" 1
145 1 9 ILE H 1 9 ILE MG . . 3.890 3.103 2.828 3.503 . 0 0 "[ . 1 . 2]" 1
146 1 9 ILE H 1 9 ILE MD . . 4.110 3.081 1.919 3.780 . 0 0 "[ . 1 . 2]" 1
147 1 9 ILE MG 1 79 ARG HA . . 3.710 2.277 1.965 2.892 . 0 0 "[ . 1 . 2]" 1
148 1 9 ILE H 1 50 LEU HG . . 5.450 4.471 3.857 5.598 0.148 17 0 "[ . 1 . 2]" 1
149 1 9 ILE HB 1 78 GLU H . . 3.400 3.217 2.989 3.420 0.020 20 0 "[ . 1 . 2]" 1
150 1 9 ILE MG 1 78 GLU H . . 4.990 4.251 3.533 4.774 . 0 0 "[ . 1 . 2]" 1
151 1 9 ILE HB 1 10 THR H . . 3.290 2.442 2.300 2.656 . 0 0 "[ . 1 . 2]" 1
152 1 9 ILE H 1 10 THR HA . . 5.360 4.817 4.720 4.892 . 0 0 "[ . 1 . 2]" 1
153 1 9 ILE H 1 50 LEU QD . . 4.490 3.769 2.680 4.579 0.089 14 0 "[ . 1 . 2]" 1
154 1 9 ILE H 1 9 ILE HG13 . . 3.200 2.068 1.907 2.446 . 0 0 "[ . 1 . 2]" 1
155 1 9 ILE HA 1 79 ARG QB . . 5.500 3.581 3.412 3.839 . 0 0 "[ . 1 . 2]" 1
156 1 9 ILE H 1 79 ARG HA . . 5.220 4.745 4.552 4.833 . 0 0 "[ . 1 . 2]" 1
157 1 9 ILE HG12 1 10 THR H . . 5.500 4.856 4.738 5.071 . 0 0 "[ . 1 . 2]" 1
158 1 9 ILE MG 1 79 ARG H . . 3.890 3.095 2.548 3.888 . 0 0 "[ . 1 . 2]" 1
159 1 9 ILE HA 1 9 ILE MG . . 3.260 2.289 2.082 2.466 . 0 0 "[ . 1 . 2]" 1
160 1 9 ILE MD 1 10 THR H . . 4.570 3.222 2.824 3.704 . 0 0 "[ . 1 . 2]" 1
161 1 9 ILE HG13 1 10 THR H . . 5.500 4.507 4.093 4.952 . 0 0 "[ . 1 . 2]" 1
162 1 9 ILE H 1 51 GLU HB2 . . 4.430 4.171 4.053 4.268 . 0 0 "[ . 1 . 2]" 1
163 1 9 ILE H 1 52 PHE H . . 5.410 4.879 4.743 5.121 . 0 0 "[ . 1 . 2]" 1
164 1 9 ILE H 1 50 LEU H . . 3.700 3.336 3.030 3.543 . 0 0 "[ . 1 . 2]" 1
165 1 9 ILE HA 1 10 THR H . . 2.930 2.381 2.294 2.437 . 0 0 "[ . 1 . 2]" 1
166 1 9 ILE H 1 51 GLU HA . . 3.720 3.123 3.011 3.352 . 0 0 "[ . 1 . 2]" 1
167 1 10 THR MG 1 50 LEU H . . 4.690 4.121 3.723 4.450 . 0 0 "[ . 1 . 2]" 1
168 1 10 THR H 1 77 VAL QG . . 5.500 4.650 3.133 4.920 . 0 0 "[ . 1 . 2]" 1
169 1 10 THR HB 1 78 GLU QG . . 4.630 3.387 2.542 4.066 . 0 0 "[ . 1 . 2]" 1
170 1 10 THR HA 1 50 LEU H . . 3.950 3.323 3.149 3.515 . 0 0 "[ . 1 . 2]" 1
171 1 10 THR H 1 79 ARG HA . . 4.080 3.139 2.965 3.365 . 0 0 "[ . 1 . 2]" 1
172 1 10 THR HA 1 11 MET H . . 2.640 2.183 2.153 2.228 . 0 0 "[ . 1 . 2]" 1
173 1 10 THR HA 1 49 ALA HA . . 4.040 2.053 1.975 2.253 . 0 0 "[ . 1 . 2]" 1
174 1 10 THR HA 1 49 ALA H . . 4.990 4.681 4.564 4.955 . 0 0 "[ . 1 . 2]" 1
175 1 10 THR H 1 58 LEU MD1 . . 5.500 5.547 5.373 5.675 0.175 13 0 "[ . 1 . 2]" 1
176 1 10 THR HA 1 78 GLU H . . 5.370 4.656 4.548 4.807 . 0 0 "[ . 1 . 2]" 1
177 1 10 THR H 1 78 GLU QG . . 4.750 3.492 3.275 3.690 . 0 0 "[ . 1 . 2]" 1
178 1 10 THR HA 1 49 ALA MB . . 5.500 2.847 2.455 3.175 . 0 0 "[ . 1 . 2]" 1
179 1 10 THR HB 1 78 GLU H . . 4.510 4.271 3.751 4.567 0.057 16 0 "[ . 1 . 2]" 1
180 1 10 THR HB 1 11 MET H . . 3.740 3.447 3.045 3.748 0.008 5 0 "[ . 1 . 2]" 1
181 1 10 THR MG 1 49 ALA MB . . 3.190 1.853 1.739 2.231 . 0 0 "[ . 1 . 2]" 1
182 1 10 THR MG 1 80 ASP H . . 5.500 5.159 4.764 5.511 0.011 6 0 "[ . 1 . 2]" 1
183 1 10 THR H 1 78 GLU HB3 . . 5.500 5.535 5.321 5.757 0.257 4 0 "[ . 1 . 2]" 1
184 1 10 THR H 1 80 ASP H . . 4.090 3.968 3.667 4.115 0.025 13 0 "[ . 1 . 2]" 1
185 1 10 THR HA 1 48 GLY H . . 5.500 5.038 4.793 5.293 . 0 0 "[ . 1 . 2]" 1
186 1 10 THR MG 1 11 MET H . . 3.190 2.969 2.420 3.233 0.043 16 0 "[ . 1 . 2]" 1
187 1 10 THR H 1 10 THR HB . . 3.510 3.312 2.944 3.523 0.013 1 0 "[ . 1 . 2]" 1
188 1 10 THR MG 1 47 THR HB . . 4.670 4.096 3.495 4.524 . 0 0 "[ . 1 . 2]" 1
189 1 10 THR MG 1 80 ASP HB2 . . 5.140 3.885 3.441 4.395 . 0 0 "[ . 1 . 2]" 1
190 1 10 THR H 1 11 MET H . . 4.710 4.407 4.340 4.476 . 0 0 "[ . 1 . 2]" 1
191 1 10 THR H 1 77 VAL HA . . 4.970 4.552 4.420 4.721 . 0 0 "[ . 1 . 2]" 1
192 1 10 THR MG 1 78 GLU H . . 5.390 5.218 4.865 5.406 0.016 17 0 "[ . 1 . 2]" 1
193 1 10 THR H 1 78 GLU HA . . 5.030 4.564 4.415 4.680 . 0 0 "[ . 1 . 2]" 1
194 1 10 THR H 1 80 ASP HB3 . . 4.960 4.719 4.301 4.969 0.009 10 0 "[ . 1 . 2]" 1
195 1 10 THR H 1 50 LEU QD . . 5.500 5.256 4.320 5.555 0.055 9 0 "[ . 1 . 2]" 1
196 1 10 THR H 1 10 THR MG . . 3.870 3.691 3.439 3.929 0.059 5 0 "[ . 1 . 2]" 1
197 1 10 THR H 1 78 GLU H . . 3.430 2.827 2.697 3.042 . 0 0 "[ . 1 . 2]" 1
198 1 10 THR H 1 80 ASP HB2 . . 4.460 4.269 3.818 4.986 0.526 20 1 "[ . 1 . +]" 1
199 1 11 MET QG 1 49 ALA HA . . 4.780 3.674 3.309 4.062 . 0 0 "[ . 1 . 2]" 1
200 1 11 MET HA 1 48 GLY H . . 4.700 4.464 4.163 4.658 . 0 0 "[ . 1 . 2]" 1
201 1 11 MET HA 1 12 LYS H . . 2.610 2.275 2.215 2.403 . 0 0 "[ . 1 . 2]" 1
202 1 11 MET QB 1 78 GLU H . . 5.500 5.161 4.613 5.449 . 0 0 "[ . 1 . 2]" 1
203 1 11 MET H 1 48 GLY HA2 . . 5.040 4.584 4.379 4.760 . 0 0 "[ . 1 . 2]" 1
204 1 11 MET QG 1 50 LEU H . . 4.810 4.434 3.930 4.803 . 0 0 "[ . 1 . 2]" 1
205 1 11 MET H 1 12 LYS QB . . 5.240 5.146 5.073 5.247 0.007 2 0 "[ . 1 . 2]" 1
206 1 11 MET QB 1 76 THR H . . 4.760 4.040 3.867 4.263 . 0 0 "[ . 1 . 2]" 1
207 1 11 MET H 1 47 THR HB . . 5.240 4.869 4.512 5.224 . 0 0 "[ . 1 . 2]" 1
208 1 11 MET QG 1 76 THR H . . 5.500 5.419 5.355 5.522 0.022 14 0 "[ . 1 . 2]" 1
209 1 11 MET QB 1 49 ALA HA . . 5.500 4.582 4.219 4.940 . 0 0 "[ . 1 . 2]" 1
210 1 11 MET H 1 49 ALA MB . . 4.060 3.868 3.577 4.114 0.054 14 0 "[ . 1 . 2]" 1
211 1 11 MET QB 1 12 LYS H . . 3.530 2.718 2.402 2.890 . 0 0 "[ . 1 . 2]" 1
212 1 11 MET H 1 12 LYS H . . 4.570 4.549 4.527 4.560 . 0 0 "[ . 1 . 2]" 1
213 1 11 MET H 1 48 GLY H . . 3.530 3.134 2.821 3.327 . 0 0 "[ . 1 . 2]" 1
214 1 11 MET H 1 11 MET QB . . 3.360 2.589 2.429 2.847 . 0 0 "[ . 1 . 2]" 1
215 1 11 MET H 1 47 THR HA . . 5.250 4.918 4.641 5.067 . 0 0 "[ . 1 . 2]" 1
216 1 11 MET H 1 11 MET QG . . 3.530 2.375 1.859 2.883 . 0 0 "[ . 1 . 2]" 1
217 1 11 MET H 1 50 LEU H . . 4.740 4.458 4.283 4.751 0.011 20 0 "[ . 1 . 2]" 1
218 1 11 MET HA 1 12 LYS QB . . 5.500 4.077 3.888 4.317 . 0 0 "[ . 1 . 2]" 1
219 1 11 MET H 1 49 ALA HA . . 3.450 2.851 2.636 3.030 . 0 0 "[ . 1 . 2]" 1
220 1 11 MET QG 1 12 LYS H . . 5.000 3.967 3.626 4.147 . 0 0 "[ . 1 . 2]" 1
221 1 11 MET QG 1 48 GLY H . . 4.930 3.414 1.793 4.517 . 0 0 "[ . 1 . 2]" 1
222 1 11 MET HA 1 77 VAL HA . . 3.410 2.149 1.997 2.299 . 0 0 "[ . 1 . 2]" 1
223 1 11 MET HA 1 78 GLU H . . 3.540 3.528 3.420 3.583 0.043 8 0 "[ . 1 . 2]" 1
224 1 11 MET QG 1 77 VAL HA . . 5.500 3.728 2.635 5.043 . 0 0 "[ . 1 . 2]" 1
225 1 11 MET QB 1 14 LEU MD2 . . 3.530 2.003 1.771 2.382 . 0 0 "[ . 1 . 2]" 1
226 1 11 MET HA 1 76 THR H . . 4.630 4.429 4.332 4.575 . 0 0 "[ . 1 . 2]" 1
227 1 11 MET QG 1 77 VAL QG . . 4.290 2.611 1.835 4.117 . 0 0 "[ . 1 . 2]" 1
228 1 11 MET QG 1 50 LEU QD . . 4.040 2.730 2.071 3.692 . 0 0 "[ . 1 . 2]" 1
229 1 11 MET HA 1 77 VAL QG . . 3.970 2.736 2.469 2.958 . 0 0 "[ . 1 . 2]" 1
230 1 11 MET H 1 50 LEU QD . . 4.330 3.986 3.428 4.370 0.040 10 0 "[ . 1 . 2]" 1
231 1 11 MET QB 1 48 GLY H . . 3.770 2.868 2.223 3.687 . 0 0 "[ . 1 . 2]" 1
232 1 12 LYS H 1 14 LEU HB3 . . 5.450 4.965 4.503 5.298 . 0 0 "[ . 1 . 2]" 1
233 1 12 LYS H 1 76 THR MG . . 4.390 4.439 4.421 4.456 0.066 7 0 "[ . 1 . 2]" 1
234 1 12 LYS HA 1 76 THR H . . 4.970 4.812 4.657 4.931 . 0 0 "[ . 1 . 2]" 1
235 1 12 LYS H 1 13 ASN HB3 . . 5.400 4.885 4.712 4.961 . 0 0 "[ . 1 . 2]" 1
236 1 12 LYS QG 1 13 ASN HB2 . . 4.420 2.630 2.137 3.037 . 0 0 "[ . 1 . 2]" 1
237 1 12 LYS H 1 75 ILE MG . . 3.900 2.945 2.605 3.236 . 0 0 "[ . 1 . 2]" 1
238 1 12 LYS QB 1 76 THR H . . 5.160 4.372 3.689 4.947 . 0 0 "[ . 1 . 2]" 1
239 1 12 LYS QD 1 13 ASN HB2 . . 5.350 3.858 1.905 4.613 . 0 0 "[ . 1 . 2]" 1
240 1 12 LYS H 1 76 THR HB . . 5.390 5.178 5.061 5.385 . 0 0 "[ . 1 . 2]" 1
241 1 12 LYS H 1 76 THR H . . 3.300 2.757 2.532 2.953 . 0 0 "[ . 1 . 2]" 1
242 1 12 LYS HA 1 48 GLY H . . 4.010 3.626 3.410 4.052 0.042 1 0 "[ . 1 . 2]" 1
243 1 12 LYS HA 1 12 LYS QG . . 3.960 2.973 2.448 3.371 . 0 0 "[ . 1 . 2]" 1
244 1 12 LYS QG 1 47 THR HA . . 5.500 4.798 3.860 5.457 . 0 0 "[ . 1 . 2]" 1
245 1 12 LYS H 1 14 LEU MD2 . . 3.990 2.833 2.601 3.080 . 0 0 "[ . 1 . 2]" 1
246 1 12 LYS HA 1 47 THR MG . . 3.520 2.199 1.973 2.644 . 0 0 "[ . 1 . 2]" 1
247 1 12 LYS QB 1 13 ASN H . . 3.510 2.907 2.193 3.485 . 0 0 "[ . 1 . 2]" 1
248 1 12 LYS QG 1 76 THR H . . 4.610 4.005 3.153 4.891 0.281 18 0 "[ . 1 . 2]" 1
249 1 12 LYS QG 1 14 LEU H . . 5.410 4.815 4.237 5.392 . 0 0 "[ . 1 . 2]" 1
250 1 12 LYS HA 1 14 LEU H . . 4.150 3.669 3.336 3.953 . 0 0 "[ . 1 . 2]" 1
251 1 12 LYS QG 1 13 ASN H . . 3.810 2.761 1.940 3.666 . 0 0 "[ . 1 . 2]" 1
252 1 12 LYS QD 1 13 ASN HA . . 5.500 4.934 3.494 5.567 0.067 19 0 "[ . 1 . 2]" 1
253 1 12 LYS QB 1 14 LEU H . . 5.500 4.976 4.329 5.465 . 0 0 "[ . 1 . 2]" 1
254 1 12 LYS HA 1 13 ASN H . . 2.780 2.375 2.266 2.528 . 0 0 "[ . 1 . 2]" 1
255 1 12 LYS H 1 78 GLU H . . 5.500 5.161 4.929 5.507 0.007 18 0 "[ . 1 . 2]" 1
256 1 12 LYS H 1 77 VAL QG . . 4.240 3.812 3.498 4.231 . 0 0 "[ . 1 . 2]" 1
257 1 12 LYS H 1 12 LYS QG . . 4.190 3.295 2.425 4.227 0.037 18 0 "[ . 1 . 2]" 1
258 1 12 LYS H 1 48 GLY H . . 4.720 4.599 4.361 4.776 0.056 19 0 "[ . 1 . 2]" 1
259 1 12 LYS H 1 13 ASN H . . 4.420 4.406 4.335 4.439 0.019 2 0 "[ . 1 . 2]" 1
260 1 12 LYS H 1 12 LYS QB . . 3.390 2.870 2.604 3.221 . 0 0 "[ . 1 . 2]" 1
261 1 12 LYS H 1 77 VAL HA . . 3.860 3.570 3.466 3.684 . 0 0 "[ . 1 . 2]" 1
262 1 12 LYS QB 1 13 ASN HB2 . . 4.320 3.760 3.593 4.016 . 0 0 "[ . 1 . 2]" 1
263 1 12 LYS H 1 13 ASN HB2 . . 5.190 4.821 4.614 4.983 . 0 0 "[ . 1 . 2]" 1
264 1 12 LYS HA 1 47 THR HA . . 4.090 2.301 1.932 2.754 . 0 0 "[ . 1 . 2]" 1
265 1 13 ASN HB3 1 74 VAL H . . 4.990 4.782 4.507 4.977 . 0 0 "[ . 1 . 2]" 1
266 1 13 ASN H 1 14 LEU MD2 . . 5.140 3.224 2.785 4.335 . 0 0 "[ . 1 . 2]" 1
267 1 13 ASN QD 1 14 LEU HB3 . . 5.500 5.324 5.265 5.363 . 0 0 "[ . 1 . 2]" 1
268 1 13 ASN HB3 1 76 THR H . . 3.990 3.244 3.135 3.372 . 0 0 "[ . 1 . 2]" 1
269 1 13 ASN QD 1 75 ILE MD . . 5.500 4.548 4.196 4.798 . 0 0 "[ . 1 . 2]" 1
270 1 13 ASN QD 1 74 VAL H . . 3.340 2.728 2.281 2.924 . 0 0 "[ . 1 . 2]" 1
271 1 13 ASN H 1 75 ILE MG . . 5.370 4.638 4.450 4.839 . 0 0 "[ . 1 . 2]" 1
272 1 13 ASN HB3 1 13 ASN QD . . 3.020 2.357 2.277 2.477 . 0 0 "[ . 1 . 2]" 1
273 1 13 ASN HB3 1 76 THR MG . . 4.060 2.953 2.648 3.190 . 0 0 "[ . 1 . 2]" 1
274 1 13 ASN H 1 47 THR MG . . 3.730 2.576 2.345 2.930 . 0 0 "[ . 1 . 2]" 1
275 1 13 ASN QD 1 74 VAL MG1 . . 5.370 4.340 4.154 4.569 . 0 0 "[ . 1 . 2]" 1
276 1 13 ASN H 1 13 ASN HB3 . . 3.940 3.870 3.825 3.888 . 0 0 "[ . 1 . 2]" 1
277 1 13 ASN QD 1 74 VAL HA . . 5.060 4.472 4.164 4.635 . 0 0 "[ . 1 . 2]" 1
278 1 13 ASN H 1 47 THR HA . . 4.100 3.831 3.469 4.111 0.011 1 0 "[ . 1 . 2]" 1
279 1 13 ASN H 1 14 LEU H . . 3.500 2.627 2.553 2.744 . 0 0 "[ . 1 . 2]" 1
280 1 13 ASN QD 1 74 VAL MG2 . . 4.760 4.169 3.993 4.405 . 0 0 "[ . 1 . 2]" 1
281 1 13 ASN HB2 1 75 ILE HA . . 3.720 3.772 3.725 3.818 0.098 4 0 "[ . 1 . 2]" 1
282 1 13 ASN QD 1 75 ILE HG13 . . 4.840 3.771 3.305 4.163 . 0 0 "[ . 1 . 2]" 1
283 1 13 ASN HB3 1 14 LEU H . . 4.630 4.238 4.123 4.310 . 0 0 "[ . 1 . 2]" 1
284 1 13 ASN H 1 13 ASN HA . . 2.590 2.278 2.274 2.287 . 0 0 "[ . 1 . 2]" 1
285 1 13 ASN H 1 47 THR HB . . 5.010 4.888 4.596 5.037 0.027 1 0 "[ . 1 . 2]" 1
286 1 13 ASN QD 1 73 SER HB2 . . 4.190 3.861 2.965 4.627 0.437 19 0 "[ . 1 . 2]" 1
287 1 13 ASN HA 1 76 THR H . . 5.500 5.533 5.487 5.582 0.082 9 0 "[ . 1 . 2]" 1
288 1 13 ASN HB2 1 76 THR MG . . 4.520 3.182 2.880 3.445 . 0 0 "[ . 1 . 2]" 1
289 1 13 ASN HB2 1 76 THR H . . 4.720 3.945 3.813 4.076 . 0 0 "[ . 1 . 2]" 1
290 1 13 ASN HB2 1 14 LEU H . . 4.760 4.556 4.465 4.620 . 0 0 "[ . 1 . 2]" 1
291 1 13 ASN H 1 76 THR H . . 5.300 5.098 5.005 5.183 . 0 0 "[ . 1 . 2]" 1
292 1 13 ASN HB3 1 75 ILE HA . . 3.890 2.204 2.120 2.261 . 0 0 "[ . 1 . 2]" 1
293 1 13 ASN HA 1 14 LEU H . . 3.450 2.748 2.617 2.901 . 0 0 "[ . 1 . 2]" 1
294 1 13 ASN H 1 13 ASN HB2 . . 3.590 3.130 3.094 3.204 . 0 0 "[ . 1 . 2]" 1
295 1 13 ASN H 1 46 GLY HA3 . . 4.580 4.291 3.877 4.608 0.028 20 0 "[ . 1 . 2]" 1
296 1 13 ASN HB3 1 75 ILE H . . 5.100 4.579 4.481 4.627 . 0 0 "[ . 1 . 2]" 1
297 1 13 ASN HA 1 15 PRO QD . . 4.170 2.882 2.804 2.930 . 0 0 "[ . 1 . 2]" 1
298 1 13 ASN HB3 1 14 LEU HA . . 5.500 4.562 4.506 4.617 . 0 0 "[ . 1 . 2]" 1
299 1 13 ASN H 1 14 LEU MD1 . . 5.500 5.351 4.675 5.575 0.075 19 0 "[ . 1 . 2]" 1
300 1 13 ASN H 1 14 LEU HB3 . . 5.440 5.157 5.006 5.331 . 0 0 "[ . 1 . 2]" 1
301 1 13 ASN H 1 46 GLY HA2 . . 5.500 5.314 4.567 5.725 0.225 9 0 "[ . 1 . 2]" 1
302 1 13 ASN HA 1 13 ASN QD . . 4.250 3.050 2.837 3.253 . 0 0 "[ . 1 . 2]" 1
303 1 13 ASN QD 1 74 VAL HB . . 4.220 3.479 3.302 3.698 . 0 0 "[ . 1 . 2]" 1
304 1 13 ASN QD 1 76 THR MG . . 4.930 4.368 4.136 4.582 . 0 0 "[ . 1 . 2]" 1
305 1 13 ASN QD 1 75 ILE MG . . 5.340 4.746 4.512 4.943 . 0 0 "[ . 1 . 2]" 1
306 1 14 LEU MD1 1 48 GLY HA3 . . 4.570 3.076 2.508 3.538 . 0 0 "[ . 1 . 2]" 1
307 1 14 LEU HA 1 75 ILE MD . . 5.480 3.631 3.274 3.791 . 0 0 "[ . 1 . 2]" 1
308 1 14 LEU H 1 15 PRO HG3 . . 5.480 5.224 5.080 5.413 . 0 0 "[ . 1 . 2]" 1
309 1 14 LEU H 1 47 THR H . . 5.010 4.818 4.688 4.981 . 0 0 "[ . 1 . 2]" 1
310 1 14 LEU HG 1 48 GLY H . . 4.300 4.073 3.783 4.306 0.006 11 0 "[ . 1 . 2]" 1
311 1 14 LEU H 1 46 GLY HA3 . . 4.210 2.970 2.351 3.566 . 0 0 "[ . 1 . 2]" 1
312 1 14 LEU H 1 14 LEU MD1 . . 4.210 3.850 3.002 4.032 . 0 0 "[ . 1 . 2]" 1
313 1 14 LEU H 1 75 ILE MG . . 4.990 3.997 3.866 4.253 . 0 0 "[ . 1 . 2]" 1
314 1 14 LEU MD2 1 48 GLY HA3 . . 4.080 3.637 3.039 4.092 0.012 4 0 "[ . 1 . 2]" 1
315 1 14 LEU MD2 1 48 GLY H . . 4.270 2.197 1.922 2.632 . 0 0 "[ . 1 . 2]" 1
316 1 14 LEU H 1 48 GLY H . . 5.500 5.549 5.509 5.621 0.121 18 0 "[ . 1 . 2]" 1
317 1 14 LEU HG 1 47 THR HA . . 5.010 3.020 2.509 3.441 . 0 0 "[ . 1 . 2]" 1
318 1 14 LEU HA 1 75 ILE HG13 . . 3.750 2.518 2.134 2.760 . 0 0 "[ . 1 . 2]" 1
319 1 14 LEU MD1 1 47 THR H . . 4.410 3.761 2.846 4.295 . 0 0 "[ . 1 . 2]" 1
320 1 14 LEU HA 1 75 ILE MG . . 4.380 3.622 3.398 3.829 . 0 0 "[ . 1 . 2]" 1
321 1 14 LEU HA 1 16 GLU QG . . 4.790 3.544 3.062 4.133 . 0 0 "[ . 1 . 2]" 1
322 1 14 LEU MD2 1 76 THR H . . 4.410 3.647 3.166 3.974 . 0 0 "[ . 1 . 2]" 1
323 1 14 LEU H 1 14 LEU HG . . 3.200 2.299 1.922 2.563 . 0 0 "[ . 1 . 2]" 1
324 1 14 LEU MD1 1 48 GLY H . . 3.540 3.026 2.581 3.559 0.019 14 0 "[ . 1 . 2]" 1
325 1 14 LEU MD2 1 47 THR H . . 4.390 4.102 3.725 4.423 0.033 7 0 "[ . 1 . 2]" 1
326 1 14 LEU H 1 75 ILE HG12 . . 5.430 4.978 4.648 5.162 . 0 0 "[ . 1 . 2]" 1
327 1 14 LEU HB2 1 15 PRO QD . . 5.500 4.167 4.130 4.225 . 0 0 "[ . 1 . 2]" 1
328 1 14 LEU H 1 14 LEU MD2 . . 3.920 2.583 2.120 3.546 . 0 0 "[ . 1 . 2]" 1
329 1 14 LEU H 1 47 THR MG . . 4.720 3.824 3.589 4.117 . 0 0 "[ . 1 . 2]" 1
330 1 14 LEU H 1 47 THR HA . . 4.760 3.911 3.725 4.105 . 0 0 "[ . 1 . 2]" 1
331 1 14 LEU HA 1 14 LEU MD2 . . 4.080 3.682 3.289 3.945 . 0 0 "[ . 1 . 2]" 1
332 1 14 LEU H 1 16 GLU H . . 5.350 5.091 5.052 5.177 . 0 0 "[ . 1 . 2]" 1
333 1 14 LEU H 1 14 LEU HB2 . . 4.050 3.758 3.624 3.833 . 0 0 "[ . 1 . 2]" 1
334 1 14 LEU HA 1 16 GLU H . . 5.070 4.310 4.148 4.468 . 0 0 "[ . 1 . 2]" 1
335 1 14 LEU H 1 14 LEU HB3 . . 3.500 3.276 3.158 3.458 . 0 0 "[ . 1 . 2]" 1
336 1 14 LEU H 1 46 GLY HA2 . . 4.160 3.723 2.839 4.149 . 0 0 "[ . 1 . 2]" 1
337 1 15 PRO HG2 1 16 GLU H . . 5.000 4.756 4.684 4.823 . 0 0 "[ . 1 . 2]" 1
338 1 15 PRO QD 1 16 GLU H . . 4.640 4.231 4.139 4.320 . 0 0 "[ . 1 . 2]" 1
339 1 15 PRO HA 1 16 GLU H . . 2.730 2.569 2.509 2.629 . 0 0 "[ . 1 . 2]" 1
340 1 16 GLU HA 1 17 GLY H . . 2.720 2.406 2.399 2.421 . 0 0 "[ . 1 . 2]" 1
341 1 16 GLU QG 1 18 CYS H . . 4.450 3.770 2.371 4.445 . 0 0 "[ . 1 . 2]" 1
342 1 16 GLU H 1 16 GLU QB . . 3.270 2.922 2.705 3.239 . 0 0 "[ . 1 . 2]" 1
343 1 16 GLU QB 1 17 GLY H . . 3.490 2.415 2.382 2.464 . 0 0 "[ . 1 . 2]" 1
344 1 16 GLU H 1 18 CYS H . . 4.670 4.154 4.124 4.188 . 0 0 "[ . 1 . 2]" 1
345 1 16 GLU H 1 18 CYS HB2 . . 5.500 5.555 5.504 5.575 0.075 12 0 "[ . 1 . 2]" 1
346 1 16 GLU QG 1 17 GLY H . . 4.360 4.140 3.857 4.407 0.047 16 0 "[ . 1 . 2]" 1
347 1 16 GLU H 1 16 GLU QG . . 3.080 2.695 2.160 3.068 . 0 0 "[ . 1 . 2]" 1
348 1 16 GLU QB 1 18 CYS HB3 . . 3.770 3.248 2.856 3.791 0.021 9 0 "[ . 1 . 2]" 1
349 1 16 GLU QB 1 18 CYS HA . . 4.850 4.439 4.336 4.658 . 0 0 "[ . 1 . 2]" 1
350 1 16 GLU HA 1 18 CYS H . . 4.080 3.911 3.902 3.925 . 0 0 "[ . 1 . 2]" 1
351 1 16 GLU QB 1 18 CYS H . . 3.720 2.373 2.115 2.441 . 0 0 "[ . 1 . 2]" 1
352 1 17 GLY HA2 1 18 CYS H . . 3.330 3.260 3.194 3.337 0.007 15 0 "[ . 1 . 2]" 1
353 1 17 GLY H 1 18 CYS HB2 . . 5.500 4.931 4.846 4.996 . 0 0 "[ . 1 . 2]" 1
354 1 17 GLY HA3 1 19 SER H . . 5.500 5.198 5.170 5.290 . 0 0 "[ . 1 . 2]" 1
355 1 17 GLY H 1 18 CYS H . . 2.990 2.702 2.681 2.726 . 0 0 "[ . 1 . 2]" 1
356 1 17 GLY HA3 1 18 CYS H . . 3.440 3.292 3.211 3.351 . 0 0 "[ . 1 . 2]" 1
357 1 17 GLY H 1 18 CYS HB3 . . 5.150 5.097 5.047 5.157 0.007 1 0 "[ . 1 . 2]" 1
358 1 18 CYS H 1 18 CYS HA . . 2.870 2.742 2.739 2.745 . 0 0 "[ . 1 . 2]" 1
359 1 18 CYS H 1 18 CYS HB3 . . 2.730 2.500 2.471 2.555 . 0 0 "[ . 1 . 2]" 1
360 1 18 CYS H 1 19 SER HA . . 5.500 5.491 5.484 5.508 0.008 11 0 "[ . 1 . 2]" 1
361 1 18 CYS H 1 22 ASP HB3 . . 5.020 5.163 4.857 5.384 0.364 19 0 "[ . 1 . 2]" 1
362 1 18 CYS HA 1 23 LEU H . . 4.460 4.333 4.143 4.479 0.019 14 0 "[ . 1 . 2]" 1
363 1 18 CYS H 1 19 SER H . . 4.510 4.344 4.332 4.382 . 0 0 "[ . 1 . 2]" 1
364 1 18 CYS HA 1 19 SER H . . 2.660 2.163 2.151 2.167 . 0 0 "[ . 1 . 2]" 1
365 1 18 CYS H 1 18 CYS HB2 . . 2.770 2.569 2.512 2.600 . 0 0 "[ . 1 . 2]" 1
366 1 18 CYS HA 1 19 SER HA . . 5.090 4.413 4.406 4.416 . 0 0 "[ . 1 . 2]" 1
367 1 18 CYS HB3 1 23 LEU MD2 . . 5.000 4.669 4.593 4.781 . 0 0 "[ . 1 . 2]" 1
368 1 18 CYS HA 1 22 ASP HB3 . . 5.070 2.647 2.237 2.975 . 0 0 "[ . 1 . 2]" 1
369 1 18 CYS HB2 1 23 LEU H . . 5.500 4.986 4.941 5.044 . 0 0 "[ . 1 . 2]" 1
370 1 18 CYS HB2 1 23 LEU MD2 . . 5.500 5.504 5.445 5.525 0.025 9 0 "[ . 1 . 2]" 1
371 1 18 CYS HB3 1 19 SER H . . 4.710 4.457 4.436 4.477 . 0 0 "[ . 1 . 2]" 1
372 1 18 CYS HB2 1 19 SER H . . 4.580 4.396 4.354 4.434 . 0 0 "[ . 1 . 2]" 1
373 1 19 SER H 1 22 ASP HB2 . . 3.630 2.265 2.073 2.578 . 0 0 "[ . 1 . 2]" 1
374 1 19 SER HB3 1 39 VAL QG . . 4.580 3.160 2.292 3.419 . 0 0 "[ . 1 . 2]" 1
375 1 19 SER HA 1 39 VAL HB . . 4.560 3.603 3.097 4.273 . 0 0 "[ . 1 . 2]" 1
376 1 19 SER HA 1 20 TRP HD1 . . 4.940 4.354 4.313 4.395 . 0 0 "[ . 1 . 2]" 1
377 1 19 SER HB3 1 39 VAL HB . . 5.450 4.756 4.076 4.969 . 0 0 "[ . 1 . 2]" 1
378 1 19 SER HB2 1 20 TRP HZ2 . . 5.480 5.570 5.550 5.590 0.110 3 0 "[ . 1 . 2]" 1
379 1 19 SER H 1 19 SER HB2 . . 3.850 2.770 2.662 2.826 . 0 0 "[ . 1 . 2]" 1
380 1 19 SER HB2 1 21 GLN H . . 3.970 2.754 2.674 2.940 . 0 0 "[ . 1 . 2]" 1
381 1 19 SER HB3 1 22 ASP H . . 4.660 4.569 4.494 4.632 . 0 0 "[ . 1 . 2]" 1
382 1 19 SER HB2 1 22 ASP H . . 4.050 3.070 3.027 3.131 . 0 0 "[ . 1 . 2]" 1
383 1 19 SER H 1 20 TRP H . . 4.640 4.490 4.441 4.512 . 0 0 "[ . 1 . 2]" 1
384 1 19 SER HA 1 22 ASP H . . 4.690 4.541 4.513 4.575 . 0 0 "[ . 1 . 2]" 1
385 1 19 SER H 1 22 ASP HB3 . . 3.450 2.996 2.172 3.645 0.195 14 0 "[ . 1 . 2]" 1
386 1 19 SER HB3 1 20 TRP HE1 . . 4.910 3.763 3.646 3.834 . 0 0 "[ . 1 . 2]" 1
387 1 19 SER HB3 1 20 TRP H . . 3.490 2.294 2.104 2.391 . 0 0 "[ . 1 . 2]" 1
388 1 19 SER HA 1 39 VAL QG . . 5.500 1.959 1.916 2.214 . 0 0 "[ . 1 . 2]" 1
389 1 19 SER HB3 1 21 GLN H . . 4.240 3.668 3.610 3.705 . 0 0 "[ . 1 . 2]" 1
390 1 19 SER HA 1 21 GLN H . . 4.860 4.557 4.500 4.658 . 0 0 "[ . 1 . 2]" 1
391 1 19 SER HB2 1 20 TRP HD1 . . 5.500 4.420 4.328 4.475 . 0 0 "[ . 1 . 2]" 1
392 1 19 SER HB3 1 20 TRP HZ2 . . 5.500 5.566 5.556 5.574 0.074 10 0 "[ . 1 . 2]" 1
393 1 19 SER HA 1 23 LEU MD2 . . 5.500 3.360 3.082 3.576 . 0 0 "[ . 1 . 2]" 1
394 1 19 SER HA 1 20 TRP H . . 2.920 2.579 2.547 2.638 . 0 0 "[ . 1 . 2]" 1
395 1 19 SER H 1 23 LEU MD2 . . 4.710 4.603 4.357 4.714 0.004 4 0 "[ . 1 . 2]" 1
396 1 19 SER H 1 22 ASP H . . 3.680 3.093 2.931 3.165 . 0 0 "[ . 1 . 2]" 1
397 1 19 SER H 1 19 SER HB3 . . 3.790 3.679 3.659 3.716 . 0 0 "[ . 1 . 2]" 1
398 1 19 SER H 1 23 LEU H . . 4.330 3.927 3.680 4.053 . 0 0 "[ . 1 . 2]" 1
399 1 19 SER HB2 1 20 TRP H . . 3.270 2.946 2.920 2.983 . 0 0 "[ . 1 . 2]" 1
400 1 19 SER HB2 1 20 TRP HB3 . . 5.500 5.426 5.406 5.466 . 0 0 "[ . 1 . 2]" 1
401 1 19 SER HB2 1 21 GLN HB3 . . 5.160 3.577 3.420 3.869 . 0 0 "[ . 1 . 2]" 1
402 1 19 SER HB2 1 20 TRP HE1 . . 4.630 4.607 4.506 4.660 0.030 6 0 "[ . 1 . 2]" 1
403 1 20 TRP H 1 21 GLN HA . . 5.500 5.467 5.448 5.497 . 0 0 "[ . 1 . 2]" 1
404 1 20 TRP HA 1 23 LEU H . . 4.060 3.976 3.908 4.042 . 0 0 "[ . 1 . 2]" 1
405 1 20 TRP H 1 20 TRP HB2 . . 3.780 3.582 3.579 3.586 . 0 0 "[ . 1 . 2]" 1
406 1 20 TRP HA 1 38 SER H . . 4.630 4.380 4.109 4.541 . 0 0 "[ . 1 . 2]" 1
407 1 20 TRP H 1 39 VAL QG . . 4.180 2.228 1.944 2.891 . 0 0 "[ . 1 . 2]" 1
408 1 20 TRP HZ2 1 21 GLN H . . 5.050 5.085 5.032 5.109 0.059 19 0 "[ . 1 . 2]" 1
409 1 20 TRP HD1 1 38 SER HA . . 5.110 4.237 3.621 4.642 . 0 0 "[ . 1 . 2]" 1
410 1 20 TRP HA 1 23 LEU MD2 . . 3.810 2.027 1.936 2.118 . 0 0 "[ . 1 . 2]" 1
411 1 20 TRP HA 1 23 LEU HG . . 4.120 2.250 2.200 2.312 . 0 0 "[ . 1 . 2]" 1
412 1 20 TRP H 1 20 TRP HB3 . . 3.300 2.736 2.728 2.743 . 0 0 "[ . 1 . 2]" 1
413 1 20 TRP H 1 39 VAL HB . . 4.520 4.332 2.555 4.559 0.039 11 0 "[ . 1 . 2]" 1
414 1 20 TRP H 1 20 TRP HE1 . . 4.340 4.084 4.071 4.095 . 0 0 "[ . 1 . 2]" 1
415 1 20 TRP H 1 39 VAL H . . 5.080 4.793 4.367 5.078 . 0 0 "[ . 1 . 2]" 1
416 1 20 TRP HB2 1 37 SER HB3 . . 4.870 4.734 4.252 4.907 0.037 14 0 "[ . 1 . 2]" 1
417 1 20 TRP HB2 1 24 LYS H . . 5.080 5.066 5.009 5.125 0.045 11 0 "[ . 1 . 2]" 1
418 1 20 TRP HB3 1 20 TRP HE1 . . 4.910 4.791 4.788 4.794 . 0 0 "[ . 1 . 2]" 1
419 1 20 TRP H 1 38 SER HA . . 5.300 4.870 4.302 5.332 0.032 19 0 "[ . 1 . 2]" 1
420 1 20 TRP HE3 1 21 GLN HB2 . . 5.060 3.037 3.003 3.129 . 0 0 "[ . 1 . 2]" 1
421 1 20 TRP HB3 1 39 VAL QG . . 3.830 2.939 2.616 3.896 0.066 15 0 "[ . 1 . 2]" 1
422 1 20 TRP H 1 23 LEU MD2 . . 3.750 3.375 3.211 3.533 . 0 0 "[ . 1 . 2]" 1
423 1 20 TRP H 1 21 GLN HB2 . . 5.490 5.102 4.899 5.196 . 0 0 "[ . 1 . 2]" 1
424 1 20 TRP HE3 1 21 GLN HB3 . . 4.650 4.443 4.410 4.511 . 0 0 "[ . 1 . 2]" 1
425 1 20 TRP HA 1 20 TRP HD1 . . 4.270 4.215 4.200 4.232 . 0 0 "[ . 1 . 2]" 1
426 1 20 TRP HB3 1 20 TRP HD1 . . 3.880 2.667 2.659 2.678 . 0 0 "[ . 1 . 2]" 1
427 1 20 TRP HA 1 39 VAL H . . 5.500 5.239 4.855 5.482 . 0 0 "[ . 1 . 2]" 1
428 1 20 TRP H 1 22 ASP H . . 4.530 4.340 4.298 4.396 . 0 0 "[ . 1 . 2]" 1
429 1 20 TRP HA 1 24 LYS H . . 4.350 3.904 3.870 3.939 . 0 0 "[ . 1 . 2]" 1
430 1 20 TRP HB3 1 38 SER HA . . 4.490 2.956 2.080 3.498 . 0 0 "[ . 1 . 2]" 1
431 1 20 TRP HB2 1 21 GLN H . . 4.850 3.403 3.340 3.442 . 0 0 "[ . 1 . 2]" 1
432 1 20 TRP HB3 1 21 GLN H . . 4.670 4.017 3.976 4.037 . 0 0 "[ . 1 . 2]" 1
433 1 20 TRP HB2 1 38 SER H . . 5.500 5.237 4.757 5.496 . 0 0 "[ . 1 . 2]" 1
434 1 20 TRP HB3 1 38 SER H . . 5.070 4.343 3.931 4.560 . 0 0 "[ . 1 . 2]" 1
435 1 20 TRP HB2 1 38 SER HA . . 4.960 4.414 3.480 4.977 0.017 13 0 "[ . 1 . 2]" 1
436 1 20 TRP H 1 20 TRP HD1 . . 3.290 2.296 2.252 2.331 . 0 0 "[ . 1 . 2]" 1
437 1 20 TRP H 1 21 GLN H . . 3.800 2.910 2.885 2.950 . 0 0 "[ . 1 . 2]" 1
438 1 21 GLN QE 1 21 GLN HG2 . . 3.310 2.800 2.103 3.247 . 0 0 "[ . 1 . 2]" 1
439 1 21 GLN HA 1 25 ASP H . . 4.250 4.076 3.989 4.131 . 0 0 "[ . 1 . 2]" 1
440 1 21 GLN QE 1 24 LYS QB . . 4.310 3.257 2.875 3.591 . 0 0 "[ . 1 . 2]" 1
441 1 21 GLN H 1 21 GLN HB3 . . 3.530 2.732 2.626 2.933 . 0 0 "[ . 1 . 2]" 1
442 1 21 GLN QE 1 21 GLN HG3 . . 3.440 2.491 2.101 3.241 . 0 0 "[ . 1 . 2]" 1
443 1 21 GLN QE 1 25 ASP HB3 . . 5.500 4.216 3.833 4.733 . 0 0 "[ . 1 . 2]" 1
444 1 21 GLN HA 1 24 LYS H . . 3.950 3.740 3.700 3.771 . 0 0 "[ . 1 . 2]" 1
445 1 21 GLN HA 1 24 LYS HA . . 5.500 5.481 5.429 5.510 0.010 10 0 "[ . 1 . 2]" 1
446 1 21 GLN H 1 23 LEU H . . 4.670 4.620 4.570 4.652 . 0 0 "[ . 1 . 2]" 1
447 1 21 GLN QE 1 24 LYS QG . . 4.260 3.369 3.027 4.007 . 0 0 "[ . 1 . 2]" 1
448 1 21 GLN H 1 23 LEU MD2 . . 5.040 4.634 4.545 4.697 . 0 0 "[ . 1 . 2]" 1
449 1 21 GLN HB2 1 22 ASP H . . 3.600 3.686 3.532 3.792 0.192 14 0 "[ . 1 . 2]" 1
450 1 21 GLN QE 1 24 LYS QE . . 5.500 3.957 2.226 5.180 . 0 0 "[ . 1 . 2]" 1
451 1 21 GLN HA 1 21 GLN QE . . 4.450 2.792 2.301 3.144 . 0 0 "[ . 1 . 2]" 1
452 1 21 GLN QE 1 25 ASP HA . . 4.890 3.713 3.430 3.950 . 0 0 "[ . 1 . 2]" 1
453 1 21 GLN H 1 21 GLN HB2 . . 3.500 2.340 2.189 2.426 . 0 0 "[ . 1 . 2]" 1
454 1 21 GLN QE 1 25 ASP H . . 4.680 3.630 3.385 3.927 . 0 0 "[ . 1 . 2]" 1
455 1 21 GLN HB3 1 22 ASP H . . 3.860 2.549 2.462 2.659 . 0 0 "[ . 1 . 2]" 1
456 1 21 GLN HA 1 24 LYS QB . . 3.870 2.521 2.468 2.589 . 0 0 "[ . 1 . 2]" 1
457 1 21 GLN HA 1 23 LEU HG . . 4.820 4.775 4.721 4.818 . 0 0 "[ . 1 . 2]" 1
458 1 21 GLN H 1 22 ASP HA . . 5.430 5.285 5.258 5.304 . 0 0 "[ . 1 . 2]" 1
459 1 21 GLN H 1 22 ASP H . . 3.050 2.680 2.648 2.705 . 0 0 "[ . 1 . 2]" 1
460 1 21 GLN H 1 21 GLN HG2 . . 4.730 4.436 4.109 4.583 . 0 0 "[ . 1 . 2]" 1
461 1 22 ASP HA 1 26 LEU H . . 4.070 4.117 4.089 4.150 0.080 19 0 "[ . 1 . 2]" 1
462 1 22 ASP H 1 22 ASP HB2 . . 3.700 2.403 2.254 2.547 . 0 0 "[ . 1 . 2]" 1
463 1 22 ASP HB2 1 24 LYS H . . 5.500 5.052 4.632 5.529 0.029 3 0 "[ . 1 . 2]" 1
464 1 22 ASP HA 1 25 ASP HB3 . . 4.600 2.973 2.686 3.226 . 0 0 "[ . 1 . 2]" 1
465 1 22 ASP HB3 1 23 LEU H . . 3.260 2.597 2.086 3.122 . 0 0 "[ . 1 . 2]" 1
466 1 22 ASP HB3 1 24 LYS H . . 5.050 4.897 4.561 5.275 0.225 12 0 "[ . 1 . 2]" 1
467 1 22 ASP H 1 24 LYS H . . 4.260 3.922 3.885 3.976 . 0 0 "[ . 1 . 2]" 1
468 1 22 ASP H 1 25 ASP H . . 4.850 4.562 4.529 4.595 . 0 0 "[ . 1 . 2]" 1
469 1 22 ASP H 1 22 ASP HB3 . . 3.090 3.122 2.517 3.585 0.495 13 0 "[ . 1 . 2]" 1
470 1 22 ASP H 1 25 ASP HB3 . . 5.190 5.417 5.029 5.710 0.520 11 2 "[ - . 1+ . 2]" 1
471 1 22 ASP H 1 23 LEU MD1 . . 5.290 5.045 4.918 5.162 . 0 0 "[ . 1 . 2]" 1
472 1 22 ASP H 1 24 LYS QB . . 4.930 4.589 4.548 4.629 . 0 0 "[ . 1 . 2]" 1
473 1 22 ASP HA 1 24 LYS H . . 4.740 4.293 4.232 4.376 . 0 0 "[ . 1 . 2]" 1
474 1 22 ASP H 1 23 LEU MD2 . . 4.560 4.570 4.455 4.593 0.033 1 0 "[ . 1 . 2]" 1
475 1 22 ASP H 1 23 LEU HG . . 4.270 3.874 3.775 3.954 . 0 0 "[ . 1 . 2]" 1
476 1 22 ASP HB2 1 23 LEU H . . 3.520 2.867 2.194 3.619 0.099 3 0 "[ . 1 . 2]" 1
477 1 22 ASP H 1 23 LEU H . . 3.080 2.909 2.879 2.952 . 0 0 "[ . 1 . 2]" 1
478 1 23 LEU H 1 23 LEU MD2 . . 3.330 3.027 2.903 3.092 . 0 0 "[ . 1 . 2]" 1
479 1 23 LEU MD2 1 38 SER H . . 3.330 3.139 2.922 3.348 0.018 15 0 "[ . 1 . 2]" 1
480 1 23 LEU HG 1 25 ASP H . . 4.880 4.709 4.652 4.761 . 0 0 "[ . 1 . 2]" 1
481 1 23 LEU HB2 1 26 LEU MD2 . . 5.280 3.589 3.472 3.767 . 0 0 "[ . 1 . 2]" 1
482 1 23 LEU HG 1 38 SER H . . 5.500 5.544 5.510 5.597 0.097 14 0 "[ . 1 . 2]" 1
483 1 23 LEU H 1 26 LEU H . . 5.330 4.985 4.968 5.003 . 0 0 "[ . 1 . 2]" 1
484 1 23 LEU HB2 1 23 LEU MD1 . . 3.340 2.090 2.035 2.148 . 0 0 "[ . 1 . 2]" 1
485 1 23 LEU HB3 1 24 LYS H . . 4.440 4.020 3.986 4.062 . 0 0 "[ . 1 . 2]" 1
486 1 23 LEU HA 1 26 LEU HB3 . . 4.460 3.978 3.829 4.247 . 0 0 "[ . 1 . 2]" 1
487 1 23 LEU H 1 23 LEU HB2 . . 3.600 3.584 3.580 3.586 . 0 0 "[ . 1 . 2]" 1
488 1 23 LEU HA 1 26 LEU MD2 . . 4.150 1.968 1.933 1.995 . 0 0 "[ . 1 . 2]" 1
489 1 23 LEU H 1 25 ASP HB3 . . 5.500 5.436 5.158 5.689 0.189 3 0 "[ . 1 . 2]" 1
490 1 23 LEU HA 1 23 LEU MD1 . . 3.780 3.655 3.626 3.694 . 0 0 "[ . 1 . 2]" 1
491 1 23 LEU MD1 1 38 SER H . . 4.440 3.308 3.128 3.462 . 0 0 "[ . 1 . 2]" 1
492 1 23 LEU MD2 1 24 LYS H . . 4.170 3.941 3.876 3.998 . 0 0 "[ . 1 . 2]" 1
493 1 23 LEU H 1 23 LEU HG . . 2.870 2.106 2.014 2.194 . 0 0 "[ . 1 . 2]" 1
494 1 23 LEU MD1 1 24 LYS HA . . 3.080 2.752 2.670 2.843 . 0 0 "[ . 1 . 2]" 1
495 1 23 LEU HA 1 26 LEU H . . 3.790 3.707 3.686 3.730 . 0 0 "[ . 1 . 2]" 1
496 1 23 LEU H 1 24 LYS H . . 3.120 2.774 2.746 2.792 . 0 0 "[ . 1 . 2]" 1
497 1 23 LEU H 1 25 ASP H . . 4.480 4.225 4.182 4.286 . 0 0 "[ . 1 . 2]" 1
498 1 23 LEU MD1 1 49 ALA H . . 4.860 4.742 4.395 4.886 0.026 16 0 "[ . 1 . 2]" 1
499 1 23 LEU HA 1 26 LEU HG . . 4.160 2.581 2.341 2.710 . 0 0 "[ . 1 . 2]" 1
500 1 23 LEU MD2 1 48 GLY HA3 . . 5.500 3.641 3.272 3.883 . 0 0 "[ . 1 . 2]" 1
501 1 23 LEU HG 1 24 LYS H . . 3.400 2.286 2.178 2.369 . 0 0 "[ . 1 . 2]" 1
502 1 23 LEU H 1 23 LEU MD1 . . 3.820 3.632 3.563 3.703 . 0 0 "[ . 1 . 2]" 1
503 1 23 LEU MD2 1 49 ALA H . . 4.030 3.783 3.514 3.931 . 0 0 "[ . 1 . 2]" 1
504 1 23 LEU HB2 1 37 SER HB2 . . 5.250 4.948 4.857 5.313 0.063 14 0 "[ . 1 . 2]" 1
505 1 23 LEU MD1 1 24 LYS H . . 4.510 2.479 2.408 2.559 . 0 0 "[ . 1 . 2]" 1
506 1 23 LEU HB3 1 23 LEU MD2 . . 3.160 2.128 1.954 2.182 . 0 0 "[ . 1 . 2]" 1
507 1 23 LEU H 1 23 LEU HB3 . . 3.190 2.586 2.540 2.637 . 0 0 "[ . 1 . 2]" 1
508 1 24 LYS H 1 25 ASP H . . 3.100 2.564 2.525 2.600 . 0 0 "[ . 1 . 2]" 1
509 1 24 LYS QB 1 25 ASP H . . 2.960 2.675 2.602 2.734 . 0 0 "[ . 1 . 2]" 1
510 1 24 LYS QD 1 37 SER HB3 . . 5.470 4.609 3.748 5.495 0.025 19 0 "[ . 1 . 2]" 1
511 1 24 LYS H 1 37 SER HB3 . . 5.290 5.235 5.070 5.339 0.049 17 0 "[ . 1 . 2]" 1
512 1 24 LYS H 1 37 SER HB2 . . 4.960 4.877 4.639 4.981 0.021 6 0 "[ . 1 . 2]" 1
513 1 24 LYS H 1 24 LYS QD . . 4.920 4.439 4.244 4.682 . 0 0 "[ . 1 . 2]" 1
514 1 24 LYS QB 1 26 LEU H . . 5.180 5.031 4.985 5.070 . 0 0 "[ . 1 . 2]" 1
515 1 24 LYS H 1 26 LEU H . . 5.000 4.361 4.341 4.387 . 0 0 "[ . 1 . 2]" 1
516 1 24 LYS HA 1 24 LYS QG . . 3.920 2.541 2.386 3.108 . 0 0 "[ . 1 . 2]" 1
517 1 24 LYS HA 1 26 LEU HG . . 5.430 4.777 4.680 4.822 . 0 0 "[ . 1 . 2]" 1
518 1 24 LYS H 1 27 ALA H . . 5.440 4.611 4.591 4.644 . 0 0 "[ . 1 . 2]" 1
519 1 24 LYS QG 1 25 ASP H . . 4.130 3.589 3.482 4.078 . 0 0 "[ . 1 . 2]" 1
520 1 24 LYS QB 1 37 SER HB3 . . 3.960 3.760 3.467 3.965 0.005 14 0 "[ . 1 . 2]" 1
521 1 24 LYS H 1 25 ASP HB2 . . 5.500 4.872 4.612 5.218 . 0 0 "[ . 1 . 2]" 1
522 1 24 LYS H 1 25 ASP HB3 . . 4.770 4.877 4.562 5.132 0.362 11 0 "[ . 1 . 2]" 1
523 1 24 LYS H 1 26 LEU HG . . 5.110 4.834 4.525 4.970 . 0 0 "[ . 1 . 2]" 1
524 1 24 LYS H 1 24 LYS QB . . 2.860 2.239 2.222 2.255 . 0 0 "[ . 1 . 2]" 1
525 1 24 LYS HA 1 27 ALA MB . . 3.360 2.344 2.313 2.402 . 0 0 "[ . 1 . 2]" 1
526 1 24 LYS H 1 24 LYS QG . . 4.780 3.958 3.933 3.999 . 0 0 "[ . 1 . 2]" 1
527 1 24 LYS H 1 25 ASP HA . . 5.470 5.190 5.156 5.220 . 0 0 "[ . 1 . 2]" 1
528 1 24 LYS QB 1 37 SER HB2 . . 4.330 3.913 3.194 4.189 . 0 0 "[ . 1 . 2]" 1
529 1 24 LYS HA 1 28 ARG H . . 4.160 3.859 3.756 3.956 . 0 0 "[ . 1 . 2]" 1
530 1 25 ASP H 1 25 ASP HB3 . . 2.930 2.588 2.294 2.818 . 0 0 "[ . 1 . 2]" 1
531 1 25 ASP HA 1 27 ALA H . . 4.570 4.393 4.298 4.480 . 0 0 "[ . 1 . 2]" 1
532 1 25 ASP H 1 27 ALA H . . 4.150 3.893 3.869 3.922 . 0 0 "[ . 1 . 2]" 1
533 1 25 ASP HA 1 26 LEU HA . . 5.490 4.750 4.745 4.759 . 0 0 "[ . 1 . 2]" 1
534 1 25 ASP H 1 26 LEU HB3 . . 5.320 4.924 4.865 5.089 . 0 0 "[ . 1 . 2]" 1
535 1 25 ASP HA 1 28 ARG H . . 3.970 3.789 3.733 3.838 . 0 0 "[ . 1 . 2]" 1
536 1 25 ASP HA 1 28 ARG HD2 . . 5.270 3.705 2.791 4.374 . 0 0 "[ . 1 . 2]" 1
537 1 25 ASP H 1 25 ASP HB2 . . 3.470 2.495 2.283 2.809 . 0 0 "[ . 1 . 2]" 1
538 1 25 ASP HA 1 28 ARG HB2 . . 5.500 5.128 5.067 5.282 . 0 0 "[ . 1 . 2]" 1
539 1 25 ASP H 1 26 LEU HA . . 5.500 5.324 5.313 5.338 . 0 0 "[ . 1 . 2]" 1
540 1 25 ASP HB2 1 26 LEU H . . 3.930 3.692 3.515 3.890 . 0 0 "[ . 1 . 2]" 1
541 1 25 ASP HB3 1 27 ALA H . . 5.190 4.736 4.690 4.809 . 0 0 "[ . 1 . 2]" 1
542 1 25 ASP HA 1 28 ARG HB3 . . 4.290 4.287 4.009 4.338 0.048 18 0 "[ . 1 . 2]" 1
543 1 25 ASP HB3 1 26 LEU H . . 3.270 2.363 2.317 2.493 . 0 0 "[ . 1 . 2]" 1
544 1 25 ASP HA 1 28 ARG HD3 . . 5.500 2.951 2.328 4.328 . 0 0 "[ . 1 . 2]" 1
545 1 25 ASP H 1 26 LEU HG . . 4.980 4.549 4.164 4.698 . 0 0 "[ . 1 . 2]" 1
546 1 25 ASP H 1 26 LEU H . . 3.140 2.738 2.724 2.757 . 0 0 "[ . 1 . 2]" 1
547 1 26 LEU MD1 1 30 ASN HD21 . . 3.580 1.857 1.836 1.918 . 0 0 "[ . 1 . 2]" 1
548 1 26 LEU HG 1 27 ALA MB . . 3.510 3.206 3.138 3.393 . 0 0 "[ . 1 . 2]" 1
549 1 26 LEU HA 1 30 ASN HD21 . . 5.290 4.080 3.785 4.294 . 0 0 "[ . 1 . 2]" 1
550 1 26 LEU HB2 1 27 ALA H . . 4.560 3.998 3.838 4.074 . 0 0 "[ . 1 . 2]" 1
551 1 26 LEU H 1 26 LEU HG . . 3.490 2.668 2.325 2.801 . 0 0 "[ . 1 . 2]" 1
552 1 26 LEU HG 1 27 ALA HA . . 5.060 3.646 3.526 4.038 . 0 0 "[ . 1 . 2]" 1
553 1 26 LEU HG 1 30 ASN HD21 . . 4.700 4.201 4.043 4.561 . 0 0 "[ . 1 . 2]" 1
554 1 26 LEU MD1 1 30 ASN HD22 . . 3.490 2.419 2.232 2.826 . 0 0 "[ . 1 . 2]" 1
555 1 26 LEU MD1 1 27 ALA H . . 3.700 2.855 2.613 3.033 . 0 0 "[ . 1 . 2]" 1
556 1 26 LEU H 1 26 LEU MD1 . . 4.330 3.976 3.767 4.052 . 0 0 "[ . 1 . 2]" 1
557 1 26 LEU HA 1 29 GLU H . . 3.810 3.410 3.365 3.445 . 0 0 "[ . 1 . 2]" 1
558 1 26 LEU HA 1 26 LEU MD1 . . 3.510 3.507 3.466 3.524 0.014 15 0 "[ . 1 . 2]" 1
559 1 26 LEU MD1 1 27 ALA HA . . 3.820 2.313 2.245 2.550 . 0 0 "[ . 1 . 2]" 1
560 1 26 LEU MD1 1 30 ASN HB3 . . 5.430 4.249 4.190 4.534 . 0 0 "[ . 1 . 2]" 1
561 1 26 LEU MD1 1 30 ASN HB2 . . 5.500 3.191 3.137 3.425 . 0 0 "[ . 1 . 2]" 1
562 1 26 LEU MD1 1 30 ASN H . . 4.910 4.205 4.090 4.382 . 0 0 "[ . 1 . 2]" 1
563 1 26 LEU MD2 1 27 ALA H . . 3.770 3.744 3.720 3.789 0.019 14 0 "[ . 1 . 2]" 1
564 1 26 LEU HA 1 29 GLU QB . . 3.610 2.370 2.251 2.752 . 0 0 "[ . 1 . 2]" 1
565 1 26 LEU HA 1 26 LEU HG . . 3.970 3.696 3.691 3.702 . 0 0 "[ . 1 . 2]" 1
566 1 26 LEU HA 1 30 ASN HD22 . . 4.880 4.316 4.237 4.499 . 0 0 "[ . 1 . 2]" 1
567 1 26 LEU HG 1 30 ASN HD22 . . 5.320 5.145 4.981 5.330 0.010 14 0 "[ . 1 . 2]" 1
568 1 26 LEU HA 1 30 ASN H . . 4.500 4.053 4.027 4.089 . 0 0 "[ . 1 . 2]" 1
569 1 26 LEU H 1 26 LEU HB3 . . 2.960 2.316 2.258 2.472 . 0 0 "[ . 1 . 2]" 1
570 1 26 LEU HG 1 27 ALA H . . 3.180 2.037 2.004 2.108 . 0 0 "[ . 1 . 2]" 1
571 1 26 LEU MD1 1 29 GLU H . . 4.880 4.864 4.775 4.902 0.022 18 0 "[ . 1 . 2]" 1
572 1 26 LEU HG 1 29 GLU H . . 5.500 5.425 5.388 5.475 . 0 0 "[ . 1 . 2]" 1
573 1 26 LEU MD2 1 65 LEU QD . . 4.270 3.764 3.242 4.072 . 0 0 "[ . 1 . 2]" 1
574 1 26 LEU MD1 1 65 LEU QD . . 3.240 2.478 2.013 2.776 . 0 0 "[ . 1 . 2]" 1
575 1 26 LEU H 1 26 LEU HB2 . . 3.600 3.554 3.533 3.585 . 0 0 "[ . 1 . 2]" 1
576 1 26 LEU HG 1 28 ARG H . . 5.110 4.772 4.736 4.819 . 0 0 "[ . 1 . 2]" 1
577 1 26 LEU H 1 29 GLU H . . 4.740 4.682 4.617 4.749 0.009 11 0 "[ . 1 . 2]" 1
578 1 26 LEU H 1 29 GLU QB . . 5.120 4.536 4.414 4.651 . 0 0 "[ . 1 . 2]" 1
579 1 26 LEU HB3 1 27 ALA H . . 3.900 3.776 3.756 3.876 . 0 0 "[ . 1 . 2]" 1
580 1 26 LEU H 1 26 LEU MD2 . . 3.610 3.165 3.103 3.213 . 0 0 "[ . 1 . 2]" 1
581 1 27 ALA H 1 65 LEU QD . . 5.350 5.098 4.842 5.315 . 0 0 "[ . 1 . 2]" 1
582 1 27 ALA MB 1 34 THR MG . . 3.890 2.845 2.610 3.149 . 0 0 "[ . 1 . 2]" 1
583 1 27 ALA MB 1 33 GLU H . . 5.500 5.246 5.170 5.437 . 0 0 "[ . 1 . 2]" 1
584 1 27 ALA MB 1 34 THR H . . 5.410 4.389 4.088 5.242 . 0 0 "[ . 1 . 2]" 1
585 1 27 ALA HA 1 30 ASN HD21 . . 5.170 3.309 3.151 3.407 . 0 0 "[ . 1 . 2]" 1
586 1 27 ALA HA 1 30 ASN HD22 . . 5.110 5.001 4.826 5.110 . 6 0 "[ . 1 . 2]" 1
587 1 27 ALA HA 1 29 GLU H . . 4.450 4.301 4.256 4.351 . 0 0 "[ . 1 . 2]" 1
588 1 27 ALA MB 1 32 LEU HB2 . . 3.880 2.800 2.614 2.979 . 0 0 "[ . 1 . 2]" 1
589 1 27 ALA HA 1 30 ASN HB2 . . 4.680 2.807 2.765 2.893 . 0 0 "[ . 1 . 2]" 1
590 1 27 ALA H 1 30 ASN HB2 . . 4.950 4.845 4.787 4.998 0.048 18 0 "[ . 1 . 2]" 1
591 1 27 ALA HA 1 30 ASN H . . 3.520 3.526 3.504 3.555 0.035 18 0 "[ . 1 . 2]" 1
592 1 27 ALA HA 1 32 LEU H . . 4.440 4.424 4.388 4.453 0.013 19 0 "[ . 1 . 2]" 1
593 1 27 ALA HA 1 32 LEU HB2 . . 4.770 2.906 2.862 2.982 . 0 0 "[ . 1 . 2]" 1
594 1 27 ALA H 1 27 ALA MB . . 2.470 2.194 2.158 2.234 . 0 0 "[ . 1 . 2]" 1
595 1 27 ALA H 1 29 GLU H . . 4.230 3.868 3.835 3.898 . 0 0 "[ . 1 . 2]" 1
596 1 27 ALA HA 1 65 LEU QD . . 4.120 3.769 3.541 3.934 . 0 0 "[ . 1 . 2]" 1
597 1 27 ALA H 1 28 ARG H . . 3.160 2.750 2.722 2.781 . 0 0 "[ . 1 . 2]" 1
598 1 27 ALA MB 1 30 ASN H . . 5.090 4.519 4.496 4.566 . 0 0 "[ . 1 . 2]" 1
599 1 27 ALA H 1 27 ALA HA . . 2.840 2.814 2.806 2.822 . 0 0 "[ . 1 . 2]" 1
600 1 27 ALA HA 1 30 ASN HB3 . . 4.580 4.312 4.246 4.453 . 0 0 "[ . 1 . 2]" 1
601 1 27 ALA MB 1 28 ARG H . . 3.060 2.427 2.364 2.471 . 0 0 "[ . 1 . 2]" 1
602 1 27 ALA MB 1 34 THR HB . . 5.270 4.848 4.721 5.083 . 0 0 "[ . 1 . 2]" 1
603 1 27 ALA HA 1 32 LEU MD1 . . 3.660 2.867 2.580 3.224 . 0 0 "[ . 1 . 2]" 1
604 1 28 ARG H 1 32 LEU H . . 4.860 4.693 4.599 4.834 . 0 0 "[ . 1 . 2]" 1
605 1 28 ARG H 1 28 ARG HB3 . . 2.950 2.476 2.246 2.543 . 0 0 "[ . 1 . 2]" 1
606 1 28 ARG H 1 28 ARG HG3 . . 4.330 3.344 3.179 4.021 . 0 0 "[ . 1 . 2]" 1
607 1 28 ARG H 1 28 ARG HG2 . . 3.480 2.302 2.162 2.775 . 0 0 "[ . 1 . 2]" 1
608 1 28 ARG H 1 32 LEU HB2 . . 5.500 4.818 4.682 5.010 . 0 0 "[ . 1 . 2]" 1
609 1 28 ARG H 1 28 ARG HD2 . . 4.730 4.408 4.103 4.879 0.149 17 0 "[ . 1 . 2]" 1
610 1 28 ARG HG2 1 29 GLU H . . 3.580 2.720 2.241 2.875 . 0 0 "[ . 1 . 2]" 1
611 1 28 ARG H 1 29 GLU QG . . 5.250 4.705 4.333 5.055 . 0 0 "[ . 1 . 2]" 1
612 1 28 ARG HA 1 30 ASN H . . 4.860 4.058 3.980 4.192 . 0 0 "[ . 1 . 2]" 1
613 1 28 ARG H 1 30 ASN HB2 . . 5.190 5.159 5.115 5.259 0.069 11 0 "[ . 1 . 2]" 1
614 1 28 ARG HG3 1 31 SER H . . 5.500 5.476 5.437 5.511 0.011 14 0 "[ . 1 . 2]" 1
615 1 28 ARG HG3 1 30 ASN H . . 5.380 4.702 4.634 5.226 . 0 0 "[ . 1 . 2]" 1
616 1 28 ARG HB2 1 32 LEU H . . 5.360 4.993 4.881 5.214 . 0 0 "[ . 1 . 2]" 1
617 1 28 ARG H 1 28 ARG HB2 . . 3.720 3.591 3.531 3.598 . 0 0 "[ . 1 . 2]" 1
618 1 28 ARG HD2 1 29 GLU H . . 5.210 4.954 4.688 5.088 . 0 0 "[ . 1 . 2]" 1
619 1 28 ARG H 1 28 ARG HD3 . . 5.270 4.470 3.820 4.894 . 0 0 "[ . 1 . 2]" 1
620 1 28 ARG HB3 1 29 GLU H . . 4.020 3.948 3.743 4.000 . 0 0 "[ . 1 . 2]" 1
621 1 28 ARG HA 1 32 LEU H . . 3.160 2.788 2.663 3.032 . 0 0 "[ . 1 . 2]" 1
622 1 28 ARG HG3 1 29 GLU H . . 4.220 2.509 2.340 3.321 . 0 0 "[ . 1 . 2]" 1
623 1 28 ARG H 1 30 ASN H . . 4.060 3.961 3.925 4.056 . 0 0 "[ . 1 . 2]" 1
624 1 28 ARG HG2 1 30 ASN H . . 5.500 5.026 4.574 5.187 . 0 0 "[ . 1 . 2]" 1
625 1 28 ARG HA 1 28 ARG HG3 . . 3.650 3.673 3.652 3.712 0.062 18 0 "[ . 1 . 2]" 1
626 1 28 ARG H 1 29 GLU H . . 2.980 2.544 2.522 2.578 . 0 0 "[ . 1 . 2]" 1
627 1 29 GLU H 1 30 ASN HA . . 5.160 5.085 5.042 5.162 0.002 18 0 "[ . 1 . 2]" 1
628 1 29 GLU H 1 29 GLU QB . . 2.680 2.209 2.123 2.321 . 0 0 "[ . 1 . 2]" 1
629 1 29 GLU QB 1 30 ASN HD21 . . 5.500 4.796 4.688 5.168 . 0 0 "[ . 1 . 2]" 1
630 1 29 GLU HA 1 29 GLU QG . . 3.650 2.599 2.157 3.181 . 0 0 "[ . 1 . 2]" 1
631 1 29 GLU H 1 30 ASN HB2 . . 4.570 4.390 4.329 4.524 . 0 0 "[ . 1 . 2]" 1
632 1 29 GLU QB 1 31 SER H . . 5.210 4.462 4.414 4.651 . 0 0 "[ . 1 . 2]" 1
633 1 29 GLU QB 1 30 ASN H . . 3.400 3.033 2.940 3.372 . 0 0 "[ . 1 . 2]" 1
634 1 29 GLU H 1 29 GLU QG . . 3.420 2.847 2.569 3.039 . 0 0 "[ . 1 . 2]" 1
635 1 29 GLU QG 1 30 ASN H . . 5.210 4.117 2.324 4.509 . 0 0 "[ . 1 . 2]" 1
636 1 29 GLU H 1 31 SER H . . 4.190 4.194 4.149 4.231 0.041 20 0 "[ . 1 . 2]" 1
637 1 29 GLU HA 1 31 SER H . . 3.540 3.458 3.432 3.474 . 0 0 "[ . 1 . 2]" 1
638 1 29 GLU HA 1 30 ASN H . . 3.540 3.454 3.431 3.491 . 0 0 "[ . 1 . 2]" 1
639 1 29 GLU H 1 32 LEU H . . 4.740 4.579 4.524 4.638 . 0 0 "[ . 1 . 2]" 1
640 1 29 GLU QB 1 30 ASN HD22 . . 5.500 4.932 4.809 5.422 . 0 0 "[ . 1 . 2]" 1
641 1 29 GLU H 1 30 ASN HD21 . . 5.330 5.221 4.883 5.319 . 0 0 "[ . 1 . 2]" 1
642 1 29 GLU H 1 30 ASN H . . 2.970 2.425 2.388 2.508 . 0 0 "[ . 1 . 2]" 1
643 1 30 ASN HB3 1 30 ASN HD22 . . 4.070 3.856 3.831 3.930 . 0 0 "[ . 1 . 2]" 1
644 1 30 ASN HA 1 32 LEU H . . 4.850 4.814 4.545 4.882 0.032 12 0 "[ . 1 . 2]" 1
645 1 30 ASN HD21 1 68 ILE MD . . 5.500 5.450 5.363 5.543 0.043 19 0 "[ . 1 . 2]" 1
646 1 30 ASN HB2 1 32 LEU H . . 4.470 4.069 3.744 4.174 . 0 0 "[ . 1 . 2]" 1
647 1 30 ASN HB3 1 32 LEU H . . 4.700 4.616 4.264 4.726 0.026 12 0 "[ . 1 . 2]" 1
648 1 30 ASN H 1 30 ASN HD21 . . 3.720 3.694 3.309 3.778 0.058 15 0 "[ . 1 . 2]" 1
649 1 30 ASN H 1 30 ASN HB2 . . 3.210 2.254 2.239 2.278 . 0 0 "[ . 1 . 2]" 1
650 1 30 ASN HB2 1 31 SER H . . 4.430 4.019 3.985 4.055 . 0 0 "[ . 1 . 2]" 1
651 1 30 ASN H 1 32 LEU HG . . 5.500 4.479 4.241 4.790 . 0 0 "[ . 1 . 2]" 1
652 1 30 ASN H 1 31 SER H . . 2.930 2.731 2.702 2.784 . 0 0 "[ . 1 . 2]" 1
653 1 30 ASN H 1 30 ASN HB3 . . 3.650 3.530 3.516 3.553 . 0 0 "[ . 1 . 2]" 1
654 1 30 ASN H 1 31 SER HA . . 5.070 4.839 4.808 4.898 . 0 0 "[ . 1 . 2]" 1
655 1 30 ASN HD22 1 68 ILE MD . . 5.240 5.287 5.248 5.315 0.075 20 0 "[ . 1 . 2]" 1
656 1 30 ASN HB3 1 32 LEU MD2 . . 5.500 4.214 4.029 4.474 . 0 0 "[ . 1 . 2]" 1
657 1 30 ASN H 1 32 LEU HB2 . . 4.790 4.469 4.342 4.588 . 0 0 "[ . 1 . 2]" 1
658 1 30 ASN H 1 32 LEU H . . 3.560 3.437 3.208 3.557 . 0 0 "[ . 1 . 2]" 1
659 1 30 ASN HB3 1 31 SER H . . 4.520 4.288 4.266 4.310 . 0 0 "[ . 1 . 2]" 1
660 1 31 SER HA 1 32 LEU H . . 3.400 2.813 2.773 2.967 . 0 0 "[ . 1 . 2]" 1
661 1 31 SER H 1 32 LEU HA . . 5.320 5.246 5.193 5.284 . 0 0 "[ . 1 . 2]" 1
662 1 31 SER H 1 32 LEU MD1 . . 5.120 4.900 4.783 5.100 . 0 0 "[ . 1 . 2]" 1
663 1 31 SER H 1 31 SER HA . . 2.560 2.277 2.275 2.279 . 0 0 "[ . 1 . 2]" 1
664 1 31 SER H 1 32 LEU HB2 . . 5.360 5.044 4.980 5.092 . 0 0 "[ . 1 . 2]" 1
665 1 31 SER HB3 1 32 LEU HG . . 5.500 3.749 3.375 4.776 . 0 0 "[ . 1 . 2]" 1
666 1 31 SER H 1 32 LEU H . . 2.930 2.608 2.527 2.661 . 0 0 "[ . 1 . 2]" 1
667 1 31 SER H 1 32 LEU MD2 . . 5.500 5.231 5.016 5.445 . 0 0 "[ . 1 . 2]" 1
668 1 31 SER H 1 32 LEU HG . . 4.440 4.123 3.983 4.358 . 0 0 "[ . 1 . 2]" 1
669 1 31 SER H 1 31 SER HB2 . . 3.460 3.255 3.109 3.718 0.258 19 0 "[ . 1 . 2]" 1
670 1 32 LEU MD2 1 64 ARG HD3 . . 5.050 3.791 2.265 5.058 0.008 19 0 "[ . 1 . 2]" 1
671 1 32 LEU H 1 32 LEU MD2 . . 4.280 3.958 3.845 4.088 . 0 0 "[ . 1 . 2]" 1
672 1 32 LEU HB3 1 32 LEU MD2 . . 3.220 2.101 2.050 2.144 . 0 0 "[ . 1 . 2]" 1
673 1 32 LEU MD2 1 57 ILE MG . . 3.160 2.100 1.880 2.273 . 0 0 "[ . 1 . 2]" 1
674 1 32 LEU H 1 33 GLU H . . 3.870 3.826 3.695 3.891 0.021 1 0 "[ . 1 . 2]" 1
675 1 32 LEU MD1 1 64 ARG QB . . 3.920 2.899 2.506 3.678 . 0 0 "[ . 1 . 2]" 1
676 1 32 LEU HG 1 33 GLU H . . 5.500 5.147 5.101 5.198 . 0 0 "[ . 1 . 2]" 1
677 1 32 LEU MD1 1 33 GLU H . . 5.500 5.533 5.498 5.570 0.070 14 0 "[ . 1 . 2]" 1
678 1 32 LEU HA 1 32 LEU MD1 . . 4.000 3.976 3.947 3.999 . 0 0 "[ . 1 . 2]" 1
679 1 32 LEU MD1 1 65 LEU QD . . 2.570 2.410 2.231 2.584 0.014 18 0 "[ . 1 . 2]" 1
680 1 32 LEU MD2 1 57 ILE HA . . 4.660 3.143 2.930 3.220 . 0 0 "[ . 1 . 2]" 1
681 1 32 LEU MD1 1 61 ALA H . . 4.400 4.133 3.984 4.315 . 0 0 "[ . 1 . 2]" 1
682 1 32 LEU MD2 1 61 ALA MB . . 2.900 1.874 1.853 1.919 . 0 0 "[ . 1 . 2]" 1
683 1 32 LEU MD2 1 33 GLU H . . 4.540 4.260 4.173 4.356 . 0 0 "[ . 1 . 2]" 1
684 1 32 LEU H 1 32 LEU HG . . 3.100 2.883 2.717 3.050 . 0 0 "[ . 1 . 2]" 1
685 1 32 LEU HA 1 32 LEU MD2 . . 3.560 2.490 2.417 2.585 . 0 0 "[ . 1 . 2]" 1
686 1 32 LEU MD2 1 60 GLU H . . 4.820 4.644 4.504 4.830 0.010 10 0 "[ . 1 . 2]" 1
687 1 32 LEU MD2 1 60 GLU QG . . 5.500 4.334 4.065 4.634 . 0 0 "[ . 1 . 2]" 1
688 1 32 LEU MD2 1 64 ARG H . . 4.750 4.683 4.563 4.791 0.041 1 0 "[ . 1 . 2]" 1
689 1 32 LEU MD2 1 63 GLU H . . 5.500 5.552 5.509 5.587 0.087 8 0 "[ . 1 . 2]" 1
690 1 32 LEU MD2 1 60 GLU HB3 . . 4.080 2.971 2.762 3.175 . 0 0 "[ . 1 . 2]" 1
691 1 32 LEU HB3 1 32 LEU MD1 . . 3.470 2.521 2.428 2.650 . 0 0 "[ . 1 . 2]" 1
692 1 32 LEU H 1 32 LEU HB2 . . 3.350 2.881 2.777 2.938 . 0 0 "[ . 1 . 2]" 1
693 1 32 LEU HA 1 57 ILE MG . . 4.140 1.970 1.884 2.100 . 0 0 "[ . 1 . 2]" 1
694 1 32 LEU MD1 1 61 ALA HA . . 3.590 2.155 1.961 2.480 . 0 0 "[ . 1 . 2]" 1
695 1 32 LEU HB3 1 33 GLU H . . 4.210 3.873 3.799 3.967 . 0 0 "[ . 1 . 2]" 1
696 1 32 LEU MD1 1 65 LEU H . . 5.110 4.664 4.431 4.903 . 0 0 "[ . 1 . 2]" 1
697 1 32 LEU MD1 1 64 ARG H . . 5.020 4.701 4.417 4.898 . 0 0 "[ . 1 . 2]" 1
698 1 32 LEU MD2 1 57 ILE H . . 5.500 5.468 5.252 5.540 0.040 12 0 "[ . 1 . 2]" 1
699 1 32 LEU MD2 1 64 ARG HD2 . . 5.010 3.677 2.350 5.054 0.044 1 0 "[ . 1 . 2]" 1
700 1 32 LEU MD2 1 61 ALA HA . . 3.570 1.990 1.971 2.060 . 0 0 "[ . 1 . 2]" 1
701 1 32 LEU HB2 1 32 LEU MD1 . . 3.350 2.171 2.024 2.282 . 0 0 "[ . 1 . 2]" 1
702 1 32 LEU MD2 1 62 LEU H . . 4.820 4.485 4.416 4.546 . 0 0 "[ . 1 . 2]" 1
703 1 32 LEU H 1 32 LEU MD1 . . 4.160 3.909 3.722 4.002 . 0 0 "[ . 1 . 2]" 1
704 1 32 LEU MD2 1 61 ALA H . . 3.460 2.741 2.641 2.834 . 0 0 "[ . 1 . 2]" 1
705 1 32 LEU HA 1 33 GLU H . . 2.730 2.197 2.173 2.235 . 0 0 "[ . 1 . 2]" 1
706 1 32 LEU HA 1 57 ILE HA . . 4.660 4.406 4.278 4.613 . 0 0 "[ . 1 . 2]" 1
707 1 33 GLU QB 1 57 ILE MD . . 3.120 2.441 2.156 2.930 . 0 0 "[ . 1 . 2]" 1
708 1 33 GLU QB 1 53 PRO HD3 . . 5.500 4.076 2.916 4.546 . 0 0 "[ . 1 . 2]" 1
709 1 33 GLU HG3 1 34 THR H . . 4.100 3.289 2.606 4.366 0.266 5 0 "[ . 1 . 2]" 1
710 1 33 GLU HG2 1 34 THR H . . 4.390 3.373 2.147 4.417 0.027 14 0 "[ . 1 . 2]" 1
711 1 33 GLU HA 1 34 THR H . . 2.730 2.245 2.151 2.585 . 0 0 "[ . 1 . 2]" 1
712 1 33 GLU HA 1 33 GLU HG3 . . 4.060 2.742 2.140 3.616 . 0 0 "[ . 1 . 2]" 1
713 1 33 GLU H 1 34 THR H . . 4.710 4.550 4.516 4.600 . 0 0 "[ . 1 . 2]" 1
714 1 33 GLU H 1 57 ILE MD . . 3.660 2.638 2.341 3.294 . 0 0 "[ . 1 . 2]" 1
715 1 33 GLU HG3 1 57 ILE MD . . 5.500 4.561 3.661 5.325 . 0 0 "[ . 1 . 2]" 1
716 1 33 GLU H 1 57 ILE HB . . 5.180 4.652 4.423 4.974 . 0 0 "[ . 1 . 2]" 1
717 1 33 GLU HA 1 57 ILE MG . . 5.500 4.235 4.085 4.432 . 0 0 "[ . 1 . 2]" 1
718 1 33 GLU QB 1 34 THR H . . 3.770 3.363 2.078 3.738 . 0 0 "[ . 1 . 2]" 1
719 1 33 GLU QB 1 53 PRO HD2 . . 4.920 3.666 2.916 4.040 . 0 0 "[ . 1 . 2]" 1
720 1 33 GLU HA 1 34 THR MG . . 4.690 3.981 3.737 4.376 . 0 0 "[ . 1 . 2]" 1
721 1 33 GLU H 1 33 GLU HG3 . . 4.400 4.224 3.172 4.534 0.134 7 0 "[ . 1 . 2]" 1
722 1 33 GLU H 1 33 GLU QB . . 3.330 2.252 2.093 2.320 . 0 0 "[ . 1 . 2]" 1
723 1 33 GLU H 1 33 GLU HG2 . . 4.630 4.363 2.950 4.648 0.018 17 0 "[ . 1 . 2]" 1
724 1 33 GLU H 1 57 ILE MG . . 3.270 2.435 2.240 2.644 . 0 0 "[ . 1 . 2]" 1
725 1 34 THR MG 1 51 GLU H . . 4.340 3.125 2.754 3.363 . 0 0 "[ . 1 . 2]" 1
726 1 34 THR MG 1 52 PHE H . . 4.280 3.941 3.555 4.207 . 0 0 "[ . 1 . 2]" 1
727 1 34 THR HA 1 52 PHE HA . . 3.850 1.961 1.926 2.039 . 0 0 "[ . 1 . 2]" 1
728 1 34 THR HB 1 52 PHE HA . . 4.910 3.782 3.585 4.237 . 0 0 "[ . 1 . 2]" 1
729 1 34 THR MG 1 52 PHE HB3 . . 5.500 3.636 3.201 3.831 . 0 0 "[ . 1 . 2]" 1
730 1 34 THR MG 1 52 PHE HA . . 4.990 2.828 2.141 3.240 . 0 0 "[ . 1 . 2]" 1
731 1 34 THR MG 1 52 PHE HB2 . . 4.850 4.383 3.982 4.592 . 0 0 "[ . 1 . 2]" 1
732 1 34 THR H 1 36 PHE H . . 5.500 5.524 5.396 5.577 0.077 9 0 "[ . 1 . 2]" 1
733 1 34 THR MG 1 35 THR H . . 3.900 3.423 3.144 3.639 . 0 0 "[ . 1 . 2]" 1
734 1 34 THR H 1 35 THR MG . . 5.500 5.020 4.284 5.526 0.026 8 0 "[ . 1 . 2]" 1
735 1 34 THR HA 1 35 THR H . . 3.120 2.325 2.187 2.384 . 0 0 "[ . 1 . 2]" 1
736 1 34 THR MG 1 36 PHE H . . 4.120 3.900 3.514 4.117 . 0 0 "[ . 1 . 2]" 1
737 1 34 THR HA 1 36 PHE H . . 4.130 3.909 3.677 4.006 . 0 0 "[ . 1 . 2]" 1
738 1 34 THR HA 1 52 PHE H . . 4.720 4.641 4.567 4.744 0.024 20 0 "[ . 1 . 2]" 1
739 1 34 THR H 1 57 ILE MD . . 5.500 4.936 4.428 5.525 0.025 17 0 "[ . 1 . 2]" 1
740 1 34 THR HB 1 36 PHE H . . 3.070 2.581 2.481 2.777 . 0 0 "[ . 1 . 2]" 1
741 1 34 THR H 1 34 THR HB . . 4.080 3.730 3.653 3.825 . 0 0 "[ . 1 . 2]" 1
742 1 34 THR HA 1 54 SER H . . 5.500 5.407 5.061 5.575 0.075 3 0 "[ . 1 . 2]" 1
743 1 34 THR H 1 34 THR MG . . 3.830 3.204 2.822 3.777 . 0 0 "[ . 1 . 2]" 1
744 1 34 THR MG 1 50 LEU H . . 5.500 5.490 5.341 5.572 0.072 17 0 "[ . 1 . 2]" 1
745 1 34 THR HA 1 52 PHE HB2 . . 5.460 4.627 4.535 4.837 . 0 0 "[ . 1 . 2]" 1
746 1 34 THR HB 1 36 PHE QD . . 5.500 5.532 5.459 5.584 0.084 10 0 "[ . 1 . 2]" 1
747 1 34 THR MG 1 50 LEU QD . . 3.510 2.393 1.932 3.125 . 0 0 "[ . 1 . 2]" 1
748 1 34 THR HB 1 35 THR H . . 3.600 2.626 2.426 3.170 . 0 0 "[ . 1 . 2]" 1
749 1 34 THR HB 1 51 GLU H . . 4.230 3.179 2.811 3.751 . 0 0 "[ . 1 . 2]" 1
750 1 34 THR H 1 52 PHE HA . . 5.390 4.829 4.520 4.935 . 0 0 "[ . 1 . 2]" 1
751 1 34 THR H 1 52 PHE HB3 . . 5.500 5.602 5.577 5.630 0.130 11 0 "[ . 1 . 2]" 1
752 1 34 THR H 1 35 THR H . . 4.520 4.443 4.164 4.523 0.003 14 0 "[ . 1 . 2]" 1
753 1 35 THR MG 1 53 PRO HD3 . . 4.630 2.249 1.879 2.680 . 0 0 "[ . 1 . 2]" 1
754 1 35 THR H 1 51 GLU H . . 4.530 3.993 3.799 4.217 . 0 0 "[ . 1 . 2]" 1
755 1 35 THR H 1 36 PHE HB3 . . 5.500 4.292 4.226 4.387 . 0 0 "[ . 1 . 2]" 1
756 1 35 THR H 1 52 PHE HA . . 3.650 2.566 2.404 2.690 . 0 0 "[ . 1 . 2]" 1
757 1 35 THR HA 1 35 THR MG . . 3.200 2.502 2.084 3.178 . 0 0 "[ . 1 . 2]" 1
758 1 35 THR MG 1 52 PHE H . . 5.500 5.101 3.892 5.550 0.050 14 0 "[ . 1 . 2]" 1
759 1 35 THR MG 1 53 PRO HB2 . . 3.830 3.489 3.276 3.985 0.155 20 0 "[ . 1 . 2]" 1
760 1 35 THR H 1 52 PHE HB2 . . 5.500 5.501 5.358 5.604 0.104 1 0 "[ . 1 . 2]" 1
761 1 35 THR MG 1 53 PRO HA . . 4.110 2.462 2.075 2.872 . 0 0 "[ . 1 . 2]" 1
762 1 35 THR H 1 35 THR MG . . 3.640 2.680 1.862 3.220 . 0 0 "[ . 1 . 2]" 1
763 1 35 THR H 1 51 GLU HG3 . . 5.500 5.607 5.384 6.027 0.527 9 1 "[ . +1 . 2]" 1
764 1 35 THR H 1 36 PHE HB2 . . 5.500 5.186 5.033 5.371 . 0 0 "[ . 1 . 2]" 1
765 1 35 THR H 1 36 PHE QD . . 5.500 5.535 5.397 5.579 0.079 1 0 "[ . 1 . 2]" 1
766 1 35 THR H 1 35 THR HB . . 3.930 3.542 3.159 3.749 . 0 0 "[ . 1 . 2]" 1
767 1 35 THR HB 1 36 PHE H . . 4.970 4.049 3.817 4.356 . 0 0 "[ . 1 . 2]" 1
768 1 35 THR H 1 51 GLU HB3 . . 4.940 4.051 3.811 4.224 . 0 0 "[ . 1 . 2]" 1
769 1 35 THR H 1 36 PHE H . . 2.970 2.024 1.961 2.191 . 0 0 "[ . 1 . 2]" 1
770 1 35 THR H 1 51 GLU HG2 . . 4.810 4.100 3.750 4.799 . 0 0 "[ . 1 . 2]" 1
771 1 35 THR H 1 53 PRO HD2 . . 5.500 4.169 3.789 4.306 . 0 0 "[ . 1 . 2]" 1
772 1 35 THR MG 1 36 PHE H . . 4.480 3.748 2.341 4.327 . 0 0 "[ . 1 . 2]" 1
773 1 35 THR MG 1 53 PRO HB3 . . 3.180 2.089 1.877 2.743 . 0 0 "[ . 1 . 2]" 1
774 1 36 PHE QE 1 51 GLU HB2 . . 5.260 4.346 3.661 4.726 . 0 0 "[ . 1 . 2]" 1
775 1 36 PHE HB2 1 37 SER H . . 4.250 3.819 3.698 4.012 . 0 0 "[ . 1 . 2]" 1
776 1 36 PHE QD 1 50 LEU H . . 5.340 4.990 4.533 5.357 0.017 14 0 "[ . 1 . 2]" 1
777 1 36 PHE QE 1 38 SER HB3 . . 4.410 3.836 2.974 4.476 0.066 14 0 "[ . 1 . 2]" 1
778 1 36 PHE QD 1 51 GLU HB2 . . 4.570 2.767 2.221 3.117 . 0 0 "[ . 1 . 2]" 1
779 1 36 PHE H 1 52 PHE H . . 5.500 5.334 5.270 5.396 . 0 0 "[ . 1 . 2]" 1
780 1 36 PHE QE 1 49 ALA MB . . 4.050 3.025 2.801 3.227 . 0 0 "[ . 1 . 2]" 1
781 1 36 PHE H 1 50 LEU HA . . 5.240 4.900 4.730 5.098 . 0 0 "[ . 1 . 2]" 1
782 1 36 PHE QD 1 51 GLU HA . . 5.150 4.361 3.887 4.617 . 0 0 "[ . 1 . 2]" 1
783 1 36 PHE QD 1 37 SER HA . . 5.080 3.628 3.467 4.032 . 0 0 "[ . 1 . 2]" 1
784 1 36 PHE HA 1 36 PHE QE . . 5.380 4.904 4.859 4.971 . 0 0 "[ . 1 . 2]" 1
785 1 36 PHE HB3 1 51 GLU H . . 4.380 3.679 3.335 4.260 . 0 0 "[ . 1 . 2]" 1
786 1 36 PHE QD 1 51 GLU H . . 4.170 3.038 2.411 3.568 . 0 0 "[ . 1 . 2]" 1
787 1 36 PHE HA 1 36 PHE QD . . 3.790 3.045 2.997 3.114 . 0 0 "[ . 1 . 2]" 1
788 1 36 PHE H 1 36 PHE HB3 . . 3.690 2.796 2.744 2.859 . 0 0 "[ . 1 . 2]" 1
789 1 36 PHE H 1 51 GLU HB2 . . 4.840 4.870 4.661 4.987 0.147 20 0 "[ . 1 . 2]" 1
790 1 36 PHE H 1 51 GLU HG2 . . 5.170 4.521 4.242 5.114 . 0 0 "[ . 1 . 2]" 1
791 1 36 PHE QE 1 38 SER HA . . 5.500 5.134 4.838 5.379 . 0 0 "[ . 1 . 2]" 1
792 1 36 PHE QE 1 37 SER H . . 4.670 4.118 3.952 4.490 . 0 0 "[ . 1 . 2]" 1
793 1 36 PHE QE 1 51 GLU HB3 . . 4.940 4.725 4.339 4.952 0.012 17 0 "[ . 1 . 2]" 1
794 1 36 PHE QD 1 51 GLU HB3 . . 5.500 2.505 2.083 2.765 . 0 0 "[ . 1 . 2]" 1
795 1 36 PHE H 1 36 PHE QD . . 4.090 4.039 3.934 4.092 0.002 19 0 "[ . 1 . 2]" 1
796 1 36 PHE QD 1 51 GLU HG2 . . 5.500 4.923 4.556 5.171 . 0 0 "[ . 1 . 2]" 1
797 1 36 PHE H 1 51 GLU H . . 3.530 3.037 2.894 3.269 . 0 0 "[ . 1 . 2]" 1
798 1 36 PHE H 1 52 PHE HA . . 4.310 4.260 4.144 4.387 0.077 10 0 "[ . 1 . 2]" 1
799 1 36 PHE HA 1 37 SER H . . 2.750 2.224 2.157 2.254 . 0 0 "[ . 1 . 2]" 1
800 1 36 PHE QD 1 49 ALA MB . . 4.770 4.662 4.444 4.820 0.050 20 0 "[ . 1 . 2]" 1
801 1 36 PHE H 1 37 SER HA . . 5.180 4.842 4.695 4.947 . 0 0 "[ . 1 . 2]" 1
802 1 36 PHE HA 1 51 GLU H . . 5.060 4.795 4.602 5.074 0.014 19 0 "[ . 1 . 2]" 1
803 1 36 PHE QE 1 38 SER H . . 4.930 4.548 4.321 4.830 . 0 0 "[ . 1 . 2]" 1
804 1 36 PHE H 1 51 GLU HB3 . . 3.830 3.249 3.008 3.386 . 0 0 "[ . 1 . 2]" 1
805 1 36 PHE QE 1 38 SER HB2 . . 3.850 3.323 2.969 3.759 . 0 0 "[ . 1 . 2]" 1
806 1 36 PHE HB3 1 37 SER H . . 4.530 4.166 4.112 4.368 . 0 0 "[ . 1 . 2]" 1
807 1 36 PHE H 1 37 SER H . . 4.470 4.293 4.148 4.338 . 0 0 "[ . 1 . 2]" 1
808 1 36 PHE H 1 36 PHE HB2 . . 3.760 3.596 3.510 3.729 . 0 0 "[ . 1 . 2]" 1
809 1 37 SER HA 1 51 GLU H . . 3.930 3.579 3.396 3.731 . 0 0 "[ . 1 . 2]" 1
810 1 37 SER HA 1 50 LEU HB3 . . 4.050 2.724 2.024 4.077 0.027 14 0 "[ . 1 . 2]" 1
811 1 37 SER HB3 1 50 LEU HB3 . . 4.390 2.901 2.223 4.221 . 0 0 "[ . 1 . 2]" 1
812 1 37 SER HA 1 50 LEU H . . 5.070 4.679 4.564 5.070 . 0 0 "[ . 1 . 2]" 1
813 1 37 SER H 1 37 SER HB2 . . 3.880 3.815 3.248 3.896 0.016 20 0 "[ . 1 . 2]" 1
814 1 37 SER HB2 1 39 VAL QG . . 4.930 4.204 3.849 4.900 . 0 0 "[ . 1 . 2]" 1
815 1 37 SER HB3 1 50 LEU HG . . 5.500 5.362 4.399 5.575 0.075 12 0 "[ . 1 . 2]" 1
816 1 37 SER HB3 1 51 GLU H . . 5.270 4.294 4.051 4.859 . 0 0 "[ . 1 . 2]" 1
817 1 37 SER HB2 1 38 SER H . . 3.760 2.701 2.517 3.354 . 0 0 "[ . 1 . 2]" 1
818 1 37 SER HA 1 38 SER H . . 2.760 2.319 2.246 2.376 . 0 0 "[ . 1 . 2]" 1
819 1 37 SER HB2 1 51 GLU H . . 5.500 5.555 5.502 5.633 0.133 14 0 "[ . 1 . 2]" 1
820 1 37 SER H 1 38 SER H . . 4.510 4.376 4.282 4.464 . 0 0 "[ . 1 . 2]" 1
821 1 37 SER H 1 37 SER HB3 . . 3.880 3.514 2.997 3.934 0.054 14 0 "[ . 1 . 2]" 1
822 1 37 SER HB3 1 38 SER H . . 4.090 3.701 3.010 3.995 . 0 0 "[ . 1 . 2]" 1
823 1 37 SER HA 1 49 ALA H . . 5.170 4.895 4.711 5.077 . 0 0 "[ . 1 . 2]" 1
824 1 38 SER H 1 50 LEU HG . . 5.500 5.138 3.890 5.568 0.068 12 0 "[ . 1 . 2]" 1
825 1 38 SER H 1 50 LEU HA . . 4.090 3.492 3.301 3.797 . 0 0 "[ . 1 . 2]" 1
826 1 38 SER HB3 1 49 ALA MB . . 4.230 3.346 2.568 4.380 0.150 14 0 "[ . 1 . 2]" 1
827 1 38 SER HB2 1 49 ALA H . . 5.230 4.878 3.514 5.487 0.257 5 0 "[ . 1 . 2]" 1
828 1 38 SER HB3 1 39 VAL H . . 3.800 3.397 2.179 4.113 0.313 13 0 "[ . 1 . 2]" 1
829 1 38 SER HB3 1 49 ALA H . . 4.380 4.076 3.625 4.912 0.532 14 1 "[ . 1 +. 2]" 1
830 1 38 SER H 1 50 LEU QD . . 4.470 3.798 3.141 4.220 . 0 0 "[ . 1 . 2]" 1
831 1 38 SER H 1 49 ALA HA . . 5.370 5.033 4.953 5.217 . 0 0 "[ . 1 . 2]" 1
832 1 38 SER H 1 48 GLY HA3 . . 5.380 5.180 4.948 5.338 . 0 0 "[ . 1 . 2]" 1
833 1 38 SER HA 1 39 VAL H . . 2.850 2.321 2.205 2.523 . 0 0 "[ . 1 . 2]" 1
834 1 38 SER H 1 49 ALA H . . 3.430 3.179 3.040 3.319 . 0 0 "[ . 1 . 2]" 1
835 1 38 SER H 1 39 VAL QG . . 4.630 3.615 3.220 4.191 . 0 0 "[ . 1 . 2]" 1
836 1 38 SER H 1 39 VAL H . . 4.550 4.301 4.202 4.370 . 0 0 "[ . 1 . 2]" 1
837 1 38 SER HB2 1 39 VAL H . . 4.270 3.919 3.590 4.189 . 0 0 "[ . 1 . 2]" 1
838 1 38 SER H 1 38 SER HB2 . . 3.710 3.303 2.936 3.744 0.034 19 0 "[ . 1 . 2]" 1
839 1 38 SER H 1 49 ALA MB . . 4.250 4.037 3.574 4.234 . 0 0 "[ . 1 . 2]" 1
840 1 38 SER H 1 50 LEU H . . 5.280 4.983 4.862 5.239 . 0 0 "[ . 1 . 2]" 1
841 1 39 VAL HB 1 40 ASN H . . 4.000 2.843 2.622 4.223 0.223 15 0 "[ . 1 . 2]" 1
842 1 39 VAL QG 1 40 ASN HB3 . . 4.400 4.138 3.816 4.608 0.208 16 0 "[ . 1 . 2]" 1
843 1 39 VAL QG 1 40 ASN H . . 3.720 2.133 1.954 2.321 . 0 0 "[ . 1 . 2]" 1
844 1 39 VAL HA 1 49 ALA H . . 3.970 3.326 3.107 3.669 . 0 0 "[ . 1 . 2]" 1
845 1 39 VAL QG 1 48 GLY H . . 4.580 4.107 3.863 4.417 . 0 0 "[ . 1 . 2]" 1
846 1 39 VAL H 1 39 VAL HB . . 3.220 3.239 2.780 3.302 0.082 12 0 "[ . 1 . 2]" 1
847 1 39 VAL QG 1 41 THR H . . 4.700 4.424 2.957 4.603 . 0 0 "[ . 1 . 2]" 1
848 1 39 VAL QG 1 48 GLY HA3 . . 4.420 2.503 2.141 2.906 . 0 0 "[ . 1 . 2]" 1
849 1 39 VAL HA 1 39 VAL QG . . 3.280 1.985 1.959 2.081 . 0 0 "[ . 1 . 2]" 1
850 1 39 VAL QG 1 49 ALA H . . 5.000 3.548 3.340 3.938 . 0 0 "[ . 1 . 2]" 1
851 1 39 VAL HA 1 40 ASN H . . 2.820 2.465 2.254 2.548 . 0 0 "[ . 1 . 2]" 1
852 1 39 VAL HA 1 48 GLY HA3 . . 5.170 3.121 2.906 3.409 . 0 0 "[ . 1 . 2]" 1
853 1 39 VAL QG 1 41 THR MG . . 4.030 3.207 2.002 3.798 . 0 0 "[ . 1 . 2]" 1
854 1 39 VAL HB 1 41 THR H . . 5.460 4.246 4.142 5.613 0.153 15 0 "[ . 1 . 2]" 1
855 1 39 VAL HA 1 47 THR H . . 5.500 5.547 5.509 5.641 0.141 20 0 "[ . 1 . 2]" 1
856 1 39 VAL H 1 39 VAL QG . . 4.140 2.343 2.152 3.106 . 0 0 "[ . 1 . 2]" 1
857 1 40 ASN HA 1 40 ASN HD22 . . 5.500 4.874 4.635 5.388 . 0 0 "[ . 1 . 2]" 1
858 1 40 ASN HD21 1 47 THR H . . 4.960 3.173 2.544 3.902 . 0 0 "[ . 1 . 2]" 1
859 1 40 ASN H 1 49 ALA H . . 5.500 5.503 5.301 5.570 0.070 13 0 "[ . 1 . 2]" 1
860 1 40 ASN HB2 1 40 ASN HD21 . . 3.560 3.147 2.251 3.423 . 0 0 "[ . 1 . 2]" 1
861 1 40 ASN H 1 47 THR H . . 4.530 3.932 3.789 4.067 . 0 0 "[ . 1 . 2]" 1
862 1 40 ASN HD22 1 45 ASP H . . 4.660 2.897 1.984 4.694 0.034 20 0 "[ . 1 . 2]" 1
863 1 40 ASN H 1 40 ASN HD21 . . 4.980 4.240 4.114 4.632 . 0 0 "[ . 1 . 2]" 1
864 1 40 ASN HB3 1 47 THR H . . 4.690 3.430 2.749 4.765 0.075 15 0 "[ . 1 . 2]" 1
865 1 40 ASN HA 1 43 ASP H . . 4.930 4.658 4.324 4.929 . 0 0 "[ . 1 . 2]" 1
866 1 40 ASN HB2 1 40 ASN HD22 . . 4.080 3.898 3.487 4.028 . 0 0 "[ . 1 . 2]" 1
867 1 40 ASN HB3 1 42 ARG H . . 5.460 5.068 4.565 5.478 0.018 17 0 "[ . 1 . 2]" 1
868 1 40 ASN HA 1 42 ARG H . . 4.190 3.390 3.305 3.625 . 0 0 "[ . 1 . 2]" 1
869 1 40 ASN HB2 1 47 THR H . . 5.210 4.863 4.461 5.196 . 0 0 "[ . 1 . 2]" 1
870 1 40 ASN HD22 1 43 ASP H . . 4.570 3.074 1.881 4.604 0.034 16 0 "[ . 1 . 2]" 1
871 1 40 ASN H 1 40 ASN HB2 . . 3.780 3.385 3.162 3.713 . 0 0 "[ . 1 . 2]" 1
872 1 40 ASN HD22 1 47 THR MG . . 5.320 4.665 3.117 5.330 0.010 2 0 "[ . 1 . 2]" 1
873 1 40 ASN HB3 1 40 ASN HD21 . . 3.630 2.281 2.120 2.887 . 0 0 "[ . 1 . 2]" 1
874 1 40 ASN HD21 1 45 ASP H . . 4.700 3.176 2.100 4.505 . 0 0 "[ . 1 . 2]" 1
875 1 40 ASN HB2 1 43 ASP H . . 5.060 4.660 2.834 5.298 0.238 10 0 "[ . 1 . 2]" 1
876 1 40 ASN HD21 1 43 ASP H . . 4.630 3.821 2.300 4.570 . 0 0 "[ . 1 . 2]" 1
877 1 40 ASN HA 1 40 ASN HD21 . . 4.860 4.355 4.155 4.606 . 0 0 "[ . 1 . 2]" 1
878 1 40 ASN H 1 48 GLY HA3 . . 4.580 4.464 4.291 4.651 0.071 16 0 "[ . 1 . 2]" 1
879 1 40 ASN H 1 41 THR MG . . 4.990 4.039 3.488 4.665 . 0 0 "[ . 1 . 2]" 1
880 1 40 ASN HD21 1 43 ASP HB3 . . 5.340 4.079 2.605 5.121 . 0 0 "[ . 1 . 2]" 1
881 1 40 ASN HD21 1 43 ASP HB2 . . 4.040 3.366 2.029 4.713 0.673 19 1 "[ . 1 . +2]" 1
882 1 40 ASN H 1 40 ASN HB3 . . 3.210 2.594 2.439 2.952 . 0 0 "[ . 1 . 2]" 1
883 1 40 ASN HA 1 41 THR H . . 2.560 2.198 2.196 2.204 . 0 0 "[ . 1 . 2]" 1
884 1 40 ASN HB3 1 41 THR H . . 4.900 4.537 4.495 4.561 . 0 0 "[ . 1 . 2]" 1
885 1 40 ASN HD22 1 47 THR H . . 5.500 4.201 1.958 5.490 . 0 0 "[ . 1 . 2]" 1
886 1 40 ASN HD22 1 43 ASP HB3 . . 4.680 3.118 1.971 4.287 . 0 0 "[ . 1 . 2]" 1
887 1 40 ASN HB2 1 42 ARG H . . 5.200 4.558 3.036 5.120 . 0 0 "[ . 1 . 2]" 1
888 1 40 ASN HD22 1 43 ASP HB2 . . 3.910 2.329 1.906 3.846 . 0 0 "[ . 1 . 2]" 1
889 1 40 ASN HD21 1 47 THR MG . . 5.300 4.111 3.719 4.515 . 0 0 "[ . 1 . 2]" 1
890 1 40 ASN HB2 1 41 THR H . . 4.690 4.295 3.892 4.424 . 0 0 "[ . 1 . 2]" 1
891 1 40 ASN H 1 40 ASN HD22 . . 5.500 5.278 4.372 5.537 0.037 20 0 "[ . 1 . 2]" 1
892 1 40 ASN H 1 48 GLY HA2 . . 3.790 3.402 3.176 3.501 . 0 0 "[ . 1 . 2]" 1
893 1 41 THR MG 1 42 ARG H . . 4.550 4.159 3.859 4.416 . 0 0 "[ . 1 . 2]" 1
894 1 41 THR H 1 41 THR HB . . 4.000 3.672 3.585 3.769 . 0 0 "[ . 1 . 2]" 1
895 1 41 THR H 1 42 ARG QB . . 4.760 4.146 3.732 4.673 . 0 0 "[ . 1 . 2]" 1
896 1 41 THR HA 1 41 THR MG . . 3.600 2.293 2.159 2.434 . 0 0 "[ . 1 . 2]" 1
897 1 41 THR H 1 43 ASP H . . 4.750 4.410 3.891 4.752 0.002 5 0 "[ . 1 . 2]" 1
898 1 41 THR HB 1 42 ARG H . . 4.480 4.120 3.699 4.475 . 0 0 "[ . 1 . 2]" 1
899 1 41 THR H 1 41 THR MG . . 3.080 2.692 1.997 3.023 . 0 0 "[ . 1 . 2]" 1
900 1 41 THR HA 1 42 ARG H . . 3.470 3.286 2.931 3.526 0.056 14 0 "[ . 1 . 2]" 1
901 1 41 THR H 1 42 ARG H . . 2.950 2.365 1.949 2.835 . 0 0 "[ . 1 . 2]" 1
902 1 42 ARG HA 1 42 ARG HG2 . . 3.760 3.049 2.257 3.723 . 0 0 "[ . 1 . 2]" 1
903 1 42 ARG HG3 1 43 ASP H . . 4.790 4.669 3.566 4.971 0.181 20 0 "[ . 1 . 2]" 1
904 1 42 ARG HG2 1 43 ASP H . . 4.950 4.449 3.850 4.954 0.004 4 0 "[ . 1 . 2]" 1
905 1 42 ARG H 1 42 ARG QB . . 2.790 2.372 2.160 2.621 . 0 0 "[ . 1 . 2]" 1
906 1 42 ARG H 1 42 ARG HG3 . . 4.850 3.753 2.046 4.673 . 0 0 "[ . 1 . 2]" 1
907 1 42 ARG H 1 42 ARG HG2 . . 4.550 3.711 2.005 4.627 0.077 4 0 "[ . 1 . 2]" 1
908 1 42 ARG H 1 43 ASP HB2 . . 5.500 4.713 4.071 5.159 . 0 0 "[ . 1 . 2]" 1
909 1 42 ARG QB 1 43 ASP H . . 3.130 2.595 1.939 2.902 . 0 0 "[ . 1 . 2]" 1
910 1 42 ARG H 1 43 ASP H . . 3.000 2.560 1.897 3.013 0.013 3 0 "[ . 1 . 2]" 1
911 1 42 ARG HA 1 42 ARG QD . . 4.560 3.195 2.161 4.165 . 0 0 "[ . 1 . 2]" 1
912 1 42 ARG HA 1 42 ARG HG3 . . 3.940 2.968 2.199 3.836 . 0 0 "[ . 1 . 2]" 1
913 1 42 ARG H 1 42 ARG QD . . 5.500 3.838 1.982 4.718 . 0 0 "[ . 1 . 2]" 1
914 1 43 ASP H 1 43 ASP HB2 . . 3.500 2.393 2.153 2.664 . 0 0 "[ . 1 . 2]" 1
915 1 43 ASP H 1 43 ASP HB3 . . 4.050 3.458 2.883 3.671 . 0 0 "[ . 1 . 2]" 1
916 1 43 ASP HA 1 44 PHE H . . 3.530 2.832 2.319 3.536 0.006 3 0 "[ . 1 . 2]" 1
917 1 43 ASP HB2 1 45 ASP H . . 5.000 3.534 3.020 4.244 . 0 0 "[ . 1 . 2]" 1
918 1 43 ASP HB3 1 44 PHE H . . 4.330 2.860 2.105 4.147 . 0 0 "[ . 1 . 2]" 1
919 1 43 ASP HB2 1 44 PHE H . . 4.010 3.605 2.832 4.021 0.011 19 0 "[ . 1 . 2]" 1
920 1 43 ASP HB2 1 44 PHE QD . . 5.500 5.509 4.672 6.037 0.537 3 3 "[ + - 1 . * 2]" 1
921 1 44 PHE HB2 1 45 ASP H . . 5.110 4.242 3.903 4.652 . 0 0 "[ . 1 . 2]" 1
922 1 44 PHE H 1 44 PHE QD . . 3.640 2.626 1.938 3.564 . 0 0 "[ . 1 . 2]" 1
923 1 44 PHE HA 1 46 GLY H . . 5.330 3.576 3.029 5.359 0.029 14 0 "[ . 1 . 2]" 1
924 1 44 PHE HB3 1 45 ASP H . . 5.120 4.410 4.243 4.655 . 0 0 "[ . 1 . 2]" 1
925 1 44 PHE HA 1 45 ASP H . . 3.240 2.893 2.449 3.077 . 0 0 "[ . 1 . 2]" 1
926 1 44 PHE HA 1 44 PHE QD . . 4.400 2.929 2.082 3.727 . 0 0 "[ . 1 . 2]" 1
927 1 44 PHE QD 1 46 GLY H . . 5.460 5.296 4.576 5.496 0.036 20 0 "[ . 1 . 2]" 1
928 1 44 PHE H 1 45 ASP H . . 3.340 2.794 2.629 3.083 . 0 0 "[ . 1 . 2]" 1
929 1 44 PHE H 1 44 PHE HB2 . . 3.230 3.039 2.252 3.977 0.747 6 1 "[ .+ 1 . 2]" 1
930 1 44 PHE QD 1 45 ASP H . . 4.460 4.448 4.133 4.616 0.156 11 0 "[ . 1 . 2]" 1
931 1 45 ASP H 1 45 ASP HB2 . . 3.950 2.628 2.212 3.795 . 0 0 "[ . 1 . 2]" 1
932 1 45 ASP HB2 1 47 THR H . . 5.490 4.483 3.676 5.793 0.303 14 0 "[ . 1 . 2]" 1
933 1 45 ASP H 1 45 ASP HB3 . . 4.150 3.455 2.338 3.973 . 0 0 "[ . 1 . 2]" 1
934 1 45 ASP HA 1 47 THR H . . 5.500 5.147 3.174 5.536 0.036 10 0 "[ . 1 . 2]" 1
935 1 45 ASP H 1 46 GLY H . . 3.570 2.460 1.900 2.836 . 0 0 "[ . 1 . 2]" 1
936 1 45 ASP H 1 46 GLY HA3 . . 5.380 4.995 4.636 5.209 . 0 0 "[ . 1 . 2]" 1
937 1 45 ASP H 1 47 THR H . . 4.930 4.576 3.675 4.936 0.006 2 0 "[ . 1 . 2]" 1
938 1 45 ASP H 1 46 GLY HA2 . . 5.110 4.761 4.205 5.264 0.154 14 0 "[ . 1 . 2]" 1
939 1 46 GLY HA2 1 47 THR H . . 3.470 2.655 2.481 3.274 . 0 0 "[ . 1 . 2]" 1
940 1 46 GLY H 1 47 THR H . . 3.460 2.812 2.009 3.144 . 0 0 "[ . 1 . 2]" 1
941 1 47 THR HB 1 48 GLY H . . 3.450 3.166 2.906 3.318 . 0 0 "[ . 1 . 2]" 1
942 1 47 THR HA 1 48 GLY H . . 2.810 2.175 2.152 2.230 . 0 0 "[ . 1 . 2]" 1
943 1 47 THR H 1 47 THR MG . . 3.090 2.978 2.871 3.098 0.008 5 0 "[ . 1 . 2]" 1
944 1 47 THR MG 1 48 GLY H . . 4.280 4.038 3.917 4.159 . 0 0 "[ . 1 . 2]" 1
945 1 47 THR HA 1 47 THR MG . . 3.340 2.380 2.335 2.423 . 0 0 "[ . 1 . 2]" 1
946 1 47 THR H 1 48 GLY H . . 4.440 4.246 4.147 4.388 . 0 0 "[ . 1 . 2]" 1
947 1 47 THR H 1 47 THR HB . . 4.160 3.933 3.859 3.957 . 0 0 "[ . 1 . 2]" 1
948 1 48 GLY H 1 49 ALA H . . 4.540 4.425 4.395 4.466 . 0 0 "[ . 1 . 2]" 1
949 1 48 GLY H 1 49 ALA MB . . 5.210 4.885 4.796 5.143 . 0 0 "[ . 1 . 2]" 1
950 1 48 GLY HA3 1 49 ALA MB . . 4.560 4.344 4.303 4.416 . 0 0 "[ . 1 . 2]" 1
951 1 48 GLY H 1 49 ALA HA . . 5.110 4.935 4.828 5.032 . 0 0 "[ . 1 . 2]" 1
952 1 48 GLY HA3 1 49 ALA H . . 3.130 2.535 2.485 2.606 . 0 0 "[ . 1 . 2]" 1
953 1 48 GLY HA2 1 49 ALA H . . 3.190 2.590 2.519 2.643 . 0 0 "[ . 1 . 2]" 1
954 1 49 ALA H 1 50 LEU QD . . 4.020 3.619 2.805 4.095 0.075 13 0 "[ . 1 . 2]" 1
955 1 49 ALA H 1 49 ALA MB . . 3.100 2.752 2.519 2.792 . 0 0 "[ . 1 . 2]" 1
956 1 49 ALA H 1 50 LEU HA . . 5.400 4.764 4.697 4.888 . 0 0 "[ . 1 . 2]" 1
957 1 49 ALA HA 1 50 LEU H . . 2.720 2.179 2.144 2.269 . 0 0 "[ . 1 . 2]" 1
958 1 49 ALA MB 1 50 LEU H . . 3.300 3.045 2.766 3.223 . 0 0 "[ . 1 . 2]" 1
959 1 49 ALA H 1 50 LEU H . . 4.510 4.168 4.039 4.378 . 0 0 "[ . 1 . 2]" 1
960 1 50 LEU H 1 50 LEU HB2 . . 3.640 3.602 2.971 3.778 0.138 11 0 "[ . 1 . 2]" 1
961 1 50 LEU HB2 1 51 GLU H . . 3.880 2.446 2.117 3.522 . 0 0 "[ . 1 . 2]" 1
962 1 50 LEU QD 1 51 GLU H . . 4.290 3.601 3.210 3.990 . 0 0 "[ . 1 . 2]" 1
963 1 50 LEU H 1 50 LEU HG . . 3.720 2.339 1.982 3.943 0.223 17 0 "[ . 1 . 2]" 1
964 1 50 LEU HG 1 51 GLU H . . 5.020 4.571 4.343 5.054 0.034 14 0 "[ . 1 . 2]" 1
965 1 50 LEU HA 1 51 GLU H . . 2.870 2.464 2.260 2.548 . 0 0 "[ . 1 . 2]" 1
966 1 50 LEU HB3 1 51 GLU H . . 3.830 3.258 2.580 3.476 . 0 0 "[ . 1 . 2]" 1
967 1 50 LEU H 1 50 LEU QD . . 3.850 2.774 1.755 3.338 . 0 0 "[ . 1 . 2]" 1
968 1 50 LEU H 1 51 GLU HB2 . . 5.500 5.217 4.924 5.337 . 0 0 "[ . 1 . 2]" 1
969 1 51 GLU HB2 1 52 PHE H . . 4.050 3.957 3.879 4.068 0.018 19 0 "[ . 1 . 2]" 1
970 1 51 GLU H 1 51 GLU HG3 . . 4.970 4.858 4.797 5.047 0.077 14 0 "[ . 1 . 2]" 1
971 1 51 GLU HA 1 52 PHE H . . 2.970 2.243 2.183 2.272 . 0 0 "[ . 1 . 2]" 1
972 1 51 GLU H 1 52 PHE H . . 4.660 4.353 4.276 4.381 . 0 0 "[ . 1 . 2]" 1
973 1 51 GLU H 1 51 GLU HG2 . . 4.660 4.406 4.334 4.540 . 0 0 "[ . 1 . 2]" 1
974 1 51 GLU HG2 1 52 PHE H . . 3.430 2.446 2.006 2.800 . 0 0 "[ . 1 . 2]" 1
975 1 51 GLU HB3 1 52 PHE H . . 4.110 3.984 3.922 4.143 0.033 19 0 "[ . 1 . 2]" 1
976 1 51 GLU H 1 51 GLU HB3 . . 3.630 2.791 2.724 2.853 . 0 0 "[ . 1 . 2]" 1
977 1 51 GLU H 1 51 GLU HB2 . . 3.740 3.361 3.241 3.429 . 0 0 "[ . 1 . 2]" 1
978 1 51 GLU HG2 1 52 PHE HA . . 5.240 3.832 3.700 4.197 . 0 0 "[ . 1 . 2]" 1
979 1 52 PHE HB2 1 57 ILE HB . . 4.210 2.884 2.657 2.991 . 0 0 "[ . 1 . 2]" 1
980 1 52 PHE HB2 1 57 ILE H . . 4.980 4.525 4.429 4.602 . 0 0 "[ . 1 . 2]" 1
981 1 52 PHE HB3 1 57 ILE MG . . 5.500 2.791 2.668 3.019 . 0 0 "[ . 1 . 2]" 1
982 1 52 PHE HB2 1 57 ILE MD . . 4.820 3.951 3.797 4.111 . 0 0 "[ . 1 . 2]" 1
983 1 52 PHE H 1 52 PHE HB3 . . 4.020 3.751 3.730 3.801 . 0 0 "[ . 1 . 2]" 1
984 1 52 PHE HB3 1 58 LEU H . . 4.980 4.181 3.956 4.429 . 0 0 "[ . 1 . 2]" 1
985 1 52 PHE H 1 54 SER H . . 5.500 5.071 4.618 5.362 . 0 0 "[ . 1 . 2]" 1
986 1 52 PHE HA 1 53 PRO HG2 . . 5.500 4.505 4.418 4.533 . 0 0 "[ . 1 . 2]" 1
987 1 52 PHE HB2 1 57 ILE MG . . 5.020 3.816 3.693 3.955 . 0 0 "[ . 1 . 2]" 1
988 1 52 PHE HB2 1 58 LEU HB2 . . 4.310 2.959 2.738 3.172 . 0 0 "[ . 1 . 2]" 1
989 1 52 PHE H 1 57 ILE HB . . 5.500 5.506 5.295 5.574 0.074 17 0 "[ . 1 . 2]" 1
990 1 52 PHE HA 1 54 SER H . . 4.220 4.075 3.804 4.250 0.030 16 0 "[ . 1 . 2]" 1
991 1 52 PHE H 1 58 LEU MD1 . . 4.380 3.584 3.153 4.006 . 0 0 "[ . 1 . 2]" 1
992 1 52 PHE HA 1 57 ILE HB . . 5.500 4.609 4.452 4.701 . 0 0 "[ . 1 . 2]" 1
993 1 52 PHE H 1 58 LEU HB3 . . 5.500 5.594 5.523 5.653 0.153 13 0 "[ . 1 . 2]" 1
994 1 52 PHE H 1 58 LEU MD2 . . 5.500 5.251 5.119 5.406 . 0 0 "[ . 1 . 2]" 1
995 1 52 PHE H 1 53 PRO HA . . 5.500 5.343 5.249 5.390 . 0 0 "[ . 1 . 2]" 1
996 1 52 PHE HB2 1 54 SER H . . 3.610 3.034 2.667 3.275 . 0 0 "[ . 1 . 2]" 1
997 1 52 PHE HB3 1 57 ILE H . . 5.500 4.597 4.420 4.729 . 0 0 "[ . 1 . 2]" 1
998 1 52 PHE HB2 1 58 LEU H . . 3.630 3.378 3.297 3.473 . 0 0 "[ . 1 . 2]" 1
999 1 52 PHE H 1 52 PHE HB2 . . 3.950 2.777 2.726 2.836 . 0 0 "[ . 1 . 2]" 1
1000 1 52 PHE HB3 1 54 SER H . . 4.190 2.994 2.797 3.134 . 0 0 "[ . 1 . 2]" 1
1001 1 53 PRO HB2 1 54 SER H . . 4.660 3.476 3.255 3.811 . 0 0 "[ . 1 . 2]" 1
1002 1 53 PRO HD3 1 54 SER H . . 5.500 3.866 3.835 3.952 . 0 0 "[ . 1 . 2]" 1
1003 1 53 PRO HB2 1 57 ILE MD . . 5.500 4.254 3.837 4.596 . 0 0 "[ . 1 . 2]" 1
1004 1 53 PRO HD2 1 54 SER H . . 4.400 2.698 2.646 2.853 . 0 0 "[ . 1 . 2]" 1
1005 1 53 PRO HG2 1 54 SER H . . 3.510 2.572 2.273 3.068 . 0 0 "[ . 1 . 2]" 1
1006 1 54 SER HA 1 56 GLU H . . 4.480 4.191 4.099 4.348 . 0 0 "[ . 1 . 2]" 1
1007 1 54 SER HA 1 55 GLU H . . 2.930 2.333 2.267 2.497 . 0 0 "[ . 1 . 2]" 1
1008 1 54 SER QB 1 55 GLU H . . 4.160 2.738 2.447 3.363 . 0 0 "[ . 1 . 2]" 1
1009 1 54 SER QB 1 57 ILE HB . . 4.250 3.780 3.629 4.003 . 0 0 "[ . 1 . 2]" 1
1010 1 54 SER H 1 57 ILE MD . . 3.430 2.737 2.355 3.311 . 0 0 "[ . 1 . 2]" 1
1011 1 54 SER QB 1 58 LEU H . . 5.010 4.462 4.311 4.769 . 0 0 "[ . 1 . 2]" 1
1012 1 54 SER HA 1 57 ILE H . . 5.500 4.999 4.865 5.245 . 0 0 "[ . 1 . 2]" 1
1013 1 54 SER QB 1 56 GLU H . . 3.940 2.788 2.457 3.552 . 0 0 "[ . 1 . 2]" 1
1014 1 54 SER H 1 57 ILE QG . . 5.080 4.111 3.787 4.518 . 0 0 "[ . 1 . 2]" 1
1015 1 54 SER QB 1 57 ILE QG . . 4.360 2.718 2.327 3.198 . 0 0 "[ . 1 . 2]" 1
1016 1 54 SER H 1 57 ILE H . . 4.840 4.286 4.071 4.537 . 0 0 "[ . 1 . 2]" 1
1017 1 54 SER H 1 58 LEU HB2 . . 5.500 5.363 5.017 5.568 0.068 13 0 "[ . 1 . 2]" 1
1018 1 54 SER H 1 57 ILE HB . . 3.980 3.552 3.309 3.845 . 0 0 "[ . 1 . 2]" 1
1019 1 54 SER QB 1 57 ILE H . . 4.190 2.823 2.660 3.131 . 0 0 "[ . 1 . 2]" 1
1020 1 55 GLU H 1 55 GLU HB3 . . 3.060 2.765 2.449 2.922 . 0 0 "[ . 1 . 2]" 1
1021 1 55 GLU HB2 1 58 LEU H . . 5.500 5.509 5.465 5.551 0.051 3 0 "[ . 1 . 2]" 1
1022 1 55 GLU HA 1 55 GLU HG3 . . 3.970 2.691 2.271 3.582 . 0 0 "[ . 1 . 2]" 1
1023 1 55 GLU HB3 1 57 ILE H . . 5.500 5.253 5.140 5.352 . 0 0 "[ . 1 . 2]" 1
1024 1 55 GLU H 1 58 LEU HB3 . . 4.980 4.955 4.783 5.086 0.106 19 0 "[ . 1 . 2]" 1
1025 1 55 GLU HA 1 58 LEU H . . 4.190 3.136 3.087 3.171 . 0 0 "[ . 1 . 2]" 1
1026 1 55 GLU H 1 56 GLU HG2 . . 5.500 4.074 3.580 5.001 . 0 0 "[ . 1 . 2]" 1
1027 1 55 GLU HG2 1 58 LEU H . . 5.470 4.780 4.512 5.937 0.467 18 0 "[ . 1 . 2]" 1
1028 1 55 GLU HB3 1 56 GLU H . . 3.370 2.800 2.688 2.936 . 0 0 "[ . 1 . 2]" 1
1029 1 55 GLU H 1 58 LEU HB2 . . 5.500 5.626 5.568 5.677 0.177 15 0 "[ . 1 . 2]" 1
1030 1 55 GLU H 1 57 ILE MD . . 5.500 5.508 4.893 5.560 0.060 6 0 "[ . 1 . 2]" 1
1031 1 55 GLU HA 1 55 GLU HG2 . . 3.710 2.726 2.173 3.766 0.056 18 0 "[ . 1 . 2]" 1
1032 1 55 GLU H 1 59 VAL QG . . 5.500 5.502 5.379 5.587 0.087 17 0 "[ . 1 . 2]" 1
1033 1 55 GLU H 1 55 GLU HB2 . . 3.080 2.345 2.191 2.640 . 0 0 "[ . 1 . 2]" 1
1034 1 55 GLU H 1 56 GLU QB . . 5.250 4.713 4.448 4.908 . 0 0 "[ . 1 . 2]" 1
1035 1 55 GLU HG3 1 59 VAL H . . 5.500 4.899 3.311 5.649 0.149 20 0 "[ . 1 . 2]" 1
1036 1 55 GLU H 1 56 GLU HG3 . . 5.500 4.891 3.778 5.514 0.014 11 0 "[ . 1 . 2]" 1
1037 1 55 GLU H 1 57 ILE H . . 4.680 4.405 4.269 4.512 . 0 0 "[ . 1 . 2]" 1
1038 1 55 GLU H 1 58 LEU MD2 . . 5.500 5.104 4.825 5.300 . 0 0 "[ . 1 . 2]" 1
1039 1 55 GLU HB2 1 56 GLU H . . 4.000 3.760 3.639 3.977 . 0 0 "[ . 1 . 2]" 1
1040 1 55 GLU HG2 1 56 GLU H . . 4.500 4.477 4.189 4.818 0.318 20 0 "[ . 1 . 2]" 1
1041 1 55 GLU H 1 56 GLU H . . 3.230 2.521 2.284 2.659 . 0 0 "[ . 1 . 2]" 1
1042 1 55 GLU H 1 55 GLU HG3 . . 5.100 4.307 4.128 4.618 . 0 0 "[ . 1 . 2]" 1
1043 1 55 GLU H 1 56 GLU HA . . 5.500 5.112 4.904 5.236 . 0 0 "[ . 1 . 2]" 1
1044 1 55 GLU HA 1 57 ILE H . . 5.500 4.316 4.214 4.343 . 0 0 "[ . 1 . 2]" 1
1045 1 55 GLU H 1 55 GLU HG2 . . 4.770 4.490 4.283 4.597 . 0 0 "[ . 1 . 2]" 1
1046 1 55 GLU HA 1 58 LEU HA . . 5.500 4.924 4.791 5.005 . 0 0 "[ . 1 . 2]" 1
1047 1 56 GLU H 1 59 VAL QG . . 4.410 4.283 4.042 4.469 0.059 15 0 "[ . 1 . 2]" 1
1048 1 56 GLU H 1 58 LEU HB3 . . 5.500 4.818 4.654 4.928 . 0 0 "[ . 1 . 2]" 1
1049 1 56 GLU HG3 1 57 ILE MD . . 5.500 4.336 2.840 5.832 0.332 2 0 "[ . 1 . 2]" 1
1050 1 56 GLU HA 1 58 LEU H . . 4.680 4.302 4.273 4.349 . 0 0 "[ . 1 . 2]" 1
1051 1 56 GLU QB 1 57 ILE H . . 3.630 2.917 2.383 3.317 . 0 0 "[ . 1 . 2]" 1
1052 1 56 GLU H 1 56 GLU HG2 . . 3.670 2.246 1.904 2.986 . 0 0 "[ . 1 . 2]" 1
1053 1 56 GLU H 1 56 GLU QB . . 2.960 2.559 2.463 2.633 . 0 0 "[ . 1 . 2]" 1
1054 1 56 GLU QB 1 57 ILE HA . . 4.960 4.055 3.848 4.214 . 0 0 "[ . 1 . 2]" 1
1055 1 56 GLU HA 1 60 GLU H . . 4.080 4.051 4.009 4.109 0.029 15 0 "[ . 1 . 2]" 1
1056 1 56 GLU H 1 58 LEU H . . 4.240 4.006 3.927 4.058 . 0 0 "[ . 1 . 2]" 1
1057 1 56 GLU QB 1 58 LEU H . . 5.500 4.742 4.406 4.962 . 0 0 "[ . 1 . 2]" 1
1058 1 56 GLU H 1 56 GLU HG3 . . 3.730 3.023 2.011 3.582 . 0 0 "[ . 1 . 2]" 1
1059 1 56 GLU HA 1 59 VAL H . . 4.350 3.891 3.801 4.006 . 0 0 "[ . 1 . 2]" 1
1060 1 56 GLU H 1 57 ILE QG . . 5.010 4.243 4.073 4.586 . 0 0 "[ . 1 . 2]" 1
1061 1 56 GLU H 1 57 ILE HB . . 5.500 5.218 5.144 5.261 . 0 0 "[ . 1 . 2]" 1
1062 1 56 GLU HG3 1 57 ILE H . . 4.280 3.053 1.902 4.694 0.414 13 0 "[ . 1 . 2]" 1
1063 1 56 GLU H 1 57 ILE H . . 3.250 2.860 2.831 2.875 . 0 0 "[ . 1 . 2]" 1
1064 1 56 GLU HA 1 59 VAL QG . . 3.610 2.785 2.204 3.267 . 0 0 "[ . 1 . 2]" 1
1065 1 56 GLU HG2 1 57 ILE H . . 4.820 3.224 1.973 4.751 . 0 0 "[ . 1 . 2]" 1
1066 1 57 ILE HA 1 60 GLU H . . 3.940 3.614 3.524 3.713 . 0 0 "[ . 1 . 2]" 1
1067 1 57 ILE MG 1 58 LEU H . . 3.890 3.765 3.671 3.824 . 0 0 "[ . 1 . 2]" 1
1068 1 57 ILE H 1 57 ILE HB . . 2.810 2.626 2.565 2.673 . 0 0 "[ . 1 . 2]" 1
1069 1 57 ILE HA 1 60 GLU QG . . 5.500 3.843 3.441 4.275 . 0 0 "[ . 1 . 2]" 1
1070 1 57 ILE H 1 61 ALA H . . 5.500 5.581 5.494 5.649 0.149 4 0 "[ . 1 . 2]" 1
1071 1 57 ILE MD 1 57 ILE MG . . 3.320 2.075 1.957 2.559 . 0 0 "[ . 1 . 2]" 1
1072 1 57 ILE H 1 59 VAL H . . 4.630 4.501 4.396 4.579 . 0 0 "[ . 1 . 2]" 1
1073 1 57 ILE H 1 57 ILE QG . . 3.400 1.946 1.883 2.208 . 0 0 "[ . 1 . 2]" 1
1074 1 57 ILE HA 1 59 VAL H . . 5.120 4.736 4.589 4.885 . 0 0 "[ . 1 . 2]" 1
1075 1 57 ILE MG 1 61 ALA H . . 4.210 3.475 3.357 3.581 . 0 0 "[ . 1 . 2]" 1
1076 1 57 ILE HA 1 60 GLU HB3 . . 4.300 3.924 3.682 4.132 . 0 0 "[ . 1 . 2]" 1
1077 1 57 ILE HA 1 61 ALA MB . . 4.820 3.771 3.668 3.874 . 0 0 "[ . 1 . 2]" 1
1078 1 57 ILE HA 1 57 ILE MG . . 3.460 2.363 2.342 2.401 . 0 0 "[ . 1 . 2]" 1
1079 1 57 ILE HA 1 60 GLU HB2 . . 3.940 2.447 2.250 2.591 . 0 0 "[ . 1 . 2]" 1
1080 1 57 ILE H 1 58 LEU HA . . 5.410 5.141 5.094 5.170 . 0 0 "[ . 1 . 2]" 1
1081 1 57 ILE H 1 57 ILE MG . . 3.970 3.771 3.769 3.775 . 0 0 "[ . 1 . 2]" 1
1082 1 57 ILE HB 1 61 ALA H . . 5.430 5.197 5.087 5.299 . 0 0 "[ . 1 . 2]" 1
1083 1 57 ILE H 1 57 ILE MD . . 4.080 3.304 2.717 3.478 . 0 0 "[ . 1 . 2]" 1
1084 1 57 ILE HB 1 58 LEU H . . 3.330 2.849 2.811 2.923 . 0 0 "[ . 1 . 2]" 1
1085 1 57 ILE H 1 58 LEU H . . 3.170 2.530 2.490 2.558 . 0 0 "[ . 1 . 2]" 1
1086 1 57 ILE HA 1 57 ILE MD . . 3.990 3.908 3.855 3.924 . 0 0 "[ . 1 . 2]" 1
1087 1 58 LEU HB3 1 59 VAL H . . 3.430 2.425 2.315 2.559 . 0 0 "[ . 1 . 2]" 1
1088 1 58 LEU HB2 1 59 VAL H . . 4.120 3.842 3.772 3.925 . 0 0 "[ . 1 . 2]" 1
1089 1 58 LEU H 1 58 LEU MD1 . . 4.750 4.277 4.226 4.320 . 0 0 "[ . 1 . 2]" 1
1090 1 58 LEU H 1 59 VAL H . . 3.290 2.770 2.725 2.811 . 0 0 "[ . 1 . 2]" 1
1091 1 58 LEU HA 1 61 ALA H . . 4.390 3.953 3.831 4.097 . 0 0 "[ . 1 . 2]" 1
1092 1 58 LEU H 1 58 LEU HB3 . . 3.430 2.291 2.219 2.345 . 0 0 "[ . 1 . 2]" 1
1093 1 58 LEU MD1 1 79 ARG H . . 5.390 5.250 4.911 5.487 0.097 19 0 "[ . 1 . 2]" 1
1094 1 58 LEU HB3 1 60 GLU H . . 5.260 4.862 4.744 4.983 . 0 0 "[ . 1 . 2]" 1
1095 1 58 LEU H 1 59 VAL HB . . 5.500 5.244 5.047 5.448 . 0 0 "[ . 1 . 2]" 1
1096 1 58 LEU HA 1 58 LEU MD1 . . 3.700 2.606 2.441 2.770 . 0 0 "[ . 1 . 2]" 1
1097 1 58 LEU MD2 1 59 VAL HA . . 4.990 3.927 3.756 4.062 . 0 0 "[ . 1 . 2]" 1
1098 1 58 LEU H 1 61 ALA H . . 5.010 4.588 4.548 4.643 . 0 0 "[ . 1 . 2]" 1
1099 1 58 LEU HA 1 62 LEU H . . 4.680 3.956 3.882 4.028 . 0 0 "[ . 1 . 2]" 1
1100 1 58 LEU MD1 1 79 ARG HA . . 5.040 4.103 3.778 4.341 . 0 0 "[ . 1 . 2]" 1
1101 1 58 LEU HA 1 61 ALA MB . . 3.700 3.156 2.984 3.377 . 0 0 "[ . 1 . 2]" 1
1102 1 58 LEU HG 1 59 VAL HA . . 3.760 3.248 3.058 3.425 . 0 0 "[ . 1 . 2]" 1
1103 1 58 LEU H 1 59 VAL QG . . 4.460 3.807 3.564 4.022 . 0 0 "[ . 1 . 2]" 1
1104 1 58 LEU H 1 58 LEU MD2 . . 4.010 4.049 3.992 4.086 0.076 14 0 "[ . 1 . 2]" 1
1105 1 58 LEU H 1 58 LEU HB2 . . 3.130 2.746 2.685 2.834 . 0 0 "[ . 1 . 2]" 1
1106 1 59 VAL H 1 59 VAL HB . . 3.370 2.677 2.614 2.726 . 0 0 "[ . 1 . 2]" 1
1107 1 59 VAL QG 1 60 GLU H . . 3.520 2.564 1.868 3.243 . 0 0 "[ . 1 . 2]" 1
1108 1 59 VAL HA 1 59 VAL QG . . 3.040 2.180 2.051 2.298 . 0 0 "[ . 1 . 2]" 1
1109 1 59 VAL H 1 60 GLU H . . 3.100 2.666 2.569 2.745 . 0 0 "[ . 1 . 2]" 1
1110 1 59 VAL H 1 59 VAL QG . . 2.760 1.976 1.860 2.103 . 0 0 "[ . 1 . 2]" 1
1111 1 59 VAL H 1 61 ALA H . . 4.450 4.374 4.257 4.454 0.004 2 0 "[ . 1 . 2]" 1
1112 1 59 VAL HA 1 62 LEU HB3 . . 4.370 2.490 2.345 2.612 . 0 0 "[ . 1 . 2]" 1
1113 1 59 VAL H 1 60 GLU HB2 . . 4.740 4.647 4.539 4.736 . 0 0 "[ . 1 . 2]" 1
1114 1 59 VAL H 1 62 LEU HB3 . . 5.120 4.804 4.653 4.943 . 0 0 "[ . 1 . 2]" 1
1115 1 59 VAL H 1 60 GLU QG . . 5.120 4.688 4.387 4.964 . 0 0 "[ . 1 . 2]" 1
1116 1 59 VAL H 1 60 GLU HA . . 5.500 5.272 5.192 5.333 . 0 0 "[ . 1 . 2]" 1
1117 1 59 VAL HA 1 61 ALA H . . 5.110 4.825 4.730 4.872 . 0 0 "[ . 1 . 2]" 1
1118 1 59 VAL HA 1 62 LEU H . . 3.580 3.585 3.517 3.624 0.044 14 0 "[ . 1 . 2]" 1
1119 1 59 VAL HB 1 60 GLU H . . 3.990 3.214 2.430 4.010 0.020 13 0 "[ . 1 . 2]" 1
1120 1 59 VAL HA 1 62 LEU HB2 . . 4.400 3.483 3.305 3.666 . 0 0 "[ . 1 . 2]" 1
1121 1 59 VAL HA 1 63 GLU H . . 4.190 4.065 3.986 4.151 . 0 0 "[ . 1 . 2]" 1
1122 1 59 VAL QG 1 60 GLU QG . . 4.990 3.116 2.217 3.913 . 0 0 "[ . 1 . 2]" 1
1123 1 60 GLU H 1 60 GLU QG . . 3.220 2.560 2.311 2.725 . 0 0 "[ . 1 . 2]" 1
1124 1 60 GLU H 1 62 LEU H . . 4.330 3.901 3.844 4.037 . 0 0 "[ . 1 . 2]" 1
1125 1 60 GLU HA 1 60 GLU QG . . 3.910 2.485 2.207 2.755 . 0 0 "[ . 1 . 2]" 1
1126 1 60 GLU H 1 61 ALA H . . 3.060 2.779 2.732 2.864 . 0 0 "[ . 1 . 2]" 1
1127 1 60 GLU HA 1 63 GLU H . . 3.810 3.650 3.559 3.750 . 0 0 "[ . 1 . 2]" 1
1128 1 60 GLU QG 1 61 ALA H . . 4.860 4.150 4.028 4.253 . 0 0 "[ . 1 . 2]" 1
1129 1 60 GLU HB2 1 61 ALA H . . 3.440 2.470 2.397 2.569 . 0 0 "[ . 1 . 2]" 1
1130 1 60 GLU H 1 60 GLU HB3 . . 3.660 3.550 3.518 3.580 . 0 0 "[ . 1 . 2]" 1
1131 1 60 GLU HB3 1 61 ALA H . . 3.670 3.172 3.046 3.308 . 0 0 "[ . 1 . 2]" 1
1132 1 60 GLU HA 1 62 LEU H . . 4.550 4.301 4.199 4.400 . 0 0 "[ . 1 . 2]" 1
1133 1 60 GLU HA 1 64 ARG H . . 4.390 4.254 4.193 4.306 . 0 0 "[ . 1 . 2]" 1
1134 1 60 GLU H 1 60 GLU HB2 . . 3.160 2.301 2.225 2.411 . 0 0 "[ . 1 . 2]" 1
1135 1 61 ALA MB 1 64 ARG H . . 4.670 4.424 4.371 4.462 . 0 0 "[ . 1 . 2]" 1
1136 1 61 ALA MB 1 62 LEU H . . 2.970 2.716 2.601 2.785 . 0 0 "[ . 1 . 2]" 1
1137 1 61 ALA HA 1 64 ARG HD2 . . 5.500 4.338 2.857 5.872 0.372 18 0 "[ . 1 . 2]" 1
1138 1 61 ALA HA 1 65 LEU H . . 4.070 3.918 3.805 4.031 . 0 0 "[ . 1 . 2]" 1
1139 1 61 ALA MB 1 65 LEU H . . 4.840 4.509 4.433 4.595 . 0 0 "[ . 1 . 2]" 1
1140 1 61 ALA HA 1 65 LEU HG . . 4.210 3.327 3.143 3.860 . 0 0 "[ . 1 . 2]" 1
1141 1 61 ALA HA 1 64 ARG QB . . 3.950 2.242 2.009 3.085 . 0 0 "[ . 1 . 2]" 1
1142 1 61 ALA H 1 62 LEU H . . 3.370 2.632 2.610 2.679 . 0 0 "[ . 1 . 2]" 1
1143 1 61 ALA HA 1 64 ARG H . . 3.610 3.287 3.205 3.338 . 0 0 "[ . 1 . 2]" 1
1144 1 61 ALA H 1 65 LEU QD . . 5.500 4.810 4.653 5.263 . 0 0 "[ . 1 . 2]" 1
1145 1 61 ALA H 1 61 ALA MB . . 2.780 2.194 2.175 2.233 . 0 0 "[ . 1 . 2]" 1
1146 1 61 ALA HA 1 63 GLU H . . 4.730 4.458 4.261 4.614 . 0 0 "[ . 1 . 2]" 1
1147 1 61 ALA HA 1 65 LEU QD . . 5.320 3.324 3.142 3.676 . 0 0 "[ . 1 . 2]" 1
1148 1 61 ALA H 1 62 LEU HB2 . . 5.430 5.070 4.946 5.219 . 0 0 "[ . 1 . 2]" 1
1149 1 61 ALA H 1 63 GLU H . . 5.290 4.329 4.181 4.465 . 0 0 "[ . 1 . 2]" 1
1150 1 61 ALA MB 1 62 LEU HA . . 5.120 3.814 3.786 3.853 . 0 0 "[ . 1 . 2]" 1
1151 1 61 ALA H 1 62 LEU HA . . 5.340 5.234 5.207 5.280 . 0 0 "[ . 1 . 2]" 1
1152 1 61 ALA H 1 62 LEU HB3 . . 4.920 4.764 4.604 4.845 . 0 0 "[ . 1 . 2]" 1
1153 1 61 ALA H 1 64 ARG QG . . 5.420 4.874 4.189 5.390 . 0 0 "[ . 1 . 2]" 1
1154 1 62 LEU HA 1 77 VAL H . . 5.500 5.512 5.374 5.664 0.164 19 0 "[ . 1 . 2]" 1
1155 1 62 LEU QD 1 77 VAL H . . 5.440 4.759 4.090 5.095 . 0 0 "[ . 1 . 2]" 1
1156 1 62 LEU HA 1 63 GLU H . . 3.560 3.544 3.517 3.560 . 0 0 "[ . 1 . 2]" 1
1157 1 62 LEU H 1 62 LEU HB3 . . 3.070 2.396 2.270 2.481 . 0 0 "[ . 1 . 2]" 1
1158 1 62 LEU H 1 63 GLU HA . . 5.500 5.276 5.217 5.334 . 0 0 "[ . 1 . 2]" 1
1159 1 62 LEU HG 1 63 GLU H . . 4.720 4.059 3.173 4.423 . 0 0 "[ . 1 . 2]" 1
1160 1 62 LEU HB3 1 65 LEU H . . 5.500 5.458 5.398 5.548 0.048 8 0 "[ . 1 . 2]" 1
1161 1 62 LEU QD 1 79 ARG HA . . 4.960 3.743 3.352 4.484 . 0 0 "[ . 1 . 2]" 1
1162 1 62 LEU QD 1 66 ASN H . . 4.300 4.262 3.967 4.339 0.039 10 0 "[ . 1 . 2]" 1
1163 1 62 LEU HA 1 65 LEU H . . 4.360 3.595 3.504 3.764 . 0 0 "[ . 1 . 2]" 1
1164 1 62 LEU H 1 64 ARG H . . 4.500 3.727 3.681 3.795 . 0 0 "[ . 1 . 2]" 1
1165 1 62 LEU HA 1 77 VAL QG . . 3.190 1.958 1.874 2.304 . 0 0 "[ . 1 . 2]" 1
1166 1 62 LEU HB2 1 63 GLU H . . 4.120 3.907 3.839 4.014 . 0 0 "[ . 1 . 2]" 1
1167 1 62 LEU QD 1 63 GLU H . . 4.330 3.177 2.779 3.708 . 0 0 "[ . 1 . 2]" 1
1168 1 62 LEU H 1 65 LEU HB2 . . 5.240 4.987 4.893 5.151 . 0 0 "[ . 1 . 2]" 1
1169 1 62 LEU H 1 65 LEU H . . 4.740 4.586 4.537 4.657 . 0 0 "[ . 1 . 2]" 1
1170 1 62 LEU HA 1 64 ARG H . . 4.770 4.150 4.105 4.220 . 0 0 "[ . 1 . 2]" 1
1171 1 62 LEU H 1 77 VAL QG . . 4.930 4.226 4.138 4.321 . 0 0 "[ . 1 . 2]" 1
1172 1 62 LEU QD 1 79 ARG H . . 3.260 2.496 2.063 3.136 . 0 0 "[ . 1 . 2]" 1
1173 1 62 LEU HA 1 65 LEU QD . . 5.500 3.282 3.063 3.768 . 0 0 "[ . 1 . 2]" 1
1174 1 62 LEU HB2 1 64 ARG H . . 5.500 5.515 5.459 5.589 0.089 10 0 "[ . 1 . 2]" 1
1175 1 62 LEU HA 1 62 LEU QD . . 3.940 2.940 2.354 3.162 . 0 0 "[ . 1 . 2]" 1
1176 1 62 LEU H 1 62 LEU HG . . 4.670 4.444 4.294 4.480 . 0 0 "[ . 1 . 2]" 1
1177 1 62 LEU QD 1 78 GLU HA . . 4.170 2.619 2.133 2.994 . 0 0 "[ . 1 . 2]" 1
1178 1 62 LEU H 1 62 LEU QD . . 4.570 3.676 3.622 3.751 . 0 0 "[ . 1 . 2]" 1
1179 1 62 LEU HA 1 66 ASN H . . 3.940 3.726 3.427 3.898 . 0 0 "[ . 1 . 2]" 1
1180 1 62 LEU H 1 62 LEU HB2 . . 3.340 2.628 2.533 2.763 . 0 0 "[ . 1 . 2]" 1
1181 1 62 LEU HG 1 66 ASN H . . 5.070 4.489 4.086 4.836 . 0 0 "[ . 1 . 2]" 1
1182 1 62 LEU QD 1 79 ARG QB . . 3.900 2.794 2.110 3.688 . 0 0 "[ . 1 . 2]" 1
1183 1 62 LEU H 1 63 GLU H . . 3.110 2.655 2.575 2.738 . 0 0 "[ . 1 . 2]" 1
1184 1 62 LEU HB3 1 63 GLU H . . 3.230 2.566 2.449 2.740 . 0 0 "[ . 1 . 2]" 1
1185 1 62 LEU HA 1 65 LEU HB2 . . 3.990 3.071 2.938 3.383 . 0 0 "[ . 1 . 2]" 1
1186 1 62 LEU QD 1 65 LEU H . . 5.360 4.879 4.710 5.050 . 0 0 "[ . 1 . 2]" 1
1187 1 62 LEU H 1 63 GLU QB . . 5.070 4.842 4.776 4.967 . 0 0 "[ . 1 . 2]" 1
1188 1 63 GLU H 1 65 LEU H . . 4.310 3.890 3.785 3.944 . 0 0 "[ . 1 . 2]" 1
1189 1 63 GLU HG2 1 64 ARG H . . 4.650 3.811 2.846 4.650 . 0 0 "[ . 1 . 2]" 1
1190 1 63 GLU HA 1 63 GLU HG2 . . 3.810 3.121 2.509 3.837 0.027 14 0 "[ . 1 . 2]" 1
1191 1 63 GLU QB 1 64 ARG H . . 3.730 3.304 2.988 3.671 . 0 0 "[ . 1 . 2]" 1
1192 1 63 GLU H 1 64 ARG H . . 2.900 2.383 2.323 2.436 . 0 0 "[ . 1 . 2]" 1
1193 1 63 GLU HG3 1 64 ARG H . . 4.510 3.813 2.738 4.678 0.168 10 0 "[ . 1 . 2]" 1
1194 1 63 GLU H 1 63 GLU QB . . 2.580 2.522 2.493 2.544 . 0 0 "[ . 1 . 2]" 1
1195 1 63 GLU H 1 64 ARG QG . . 5.380 4.357 4.152 4.461 . 0 0 "[ . 1 . 2]" 1
1196 1 63 GLU QB 1 66 ASN H . . 5.190 5.058 4.896 5.286 0.096 19 0 "[ . 1 . 2]" 1
1197 1 63 GLU QB 1 65 LEU H . . 5.350 4.842 4.632 5.091 . 0 0 "[ . 1 . 2]" 1
1198 1 63 GLU H 1 63 GLU HG2 . . 3.570 2.414 2.187 2.788 . 0 0 "[ . 1 . 2]" 1
1199 1 63 GLU H 1 77 VAL QG . . 5.500 4.404 4.278 4.829 . 0 0 "[ . 1 . 2]" 1
1200 1 63 GLU H 1 63 GLU HG3 . . 3.620 3.016 2.546 3.404 . 0 0 "[ . 1 . 2]" 1
1201 1 63 GLU HA 1 66 ASN H . . 3.720 3.500 3.310 3.719 . 0 0 "[ . 1 . 2]" 1
1202 1 63 GLU HA 1 63 GLU HG3 . . 3.670 3.699 3.606 3.782 0.112 13 0 "[ . 1 . 2]" 1
1203 1 64 ARG H 1 66 ASN H . . 4.000 3.755 3.663 3.950 . 0 0 "[ . 1 . 2]" 1
1204 1 64 ARG QG 1 65 LEU H . . 4.450 4.309 2.633 4.465 0.015 15 0 "[ . 1 . 2]" 1
1205 1 64 ARG QB 1 65 LEU QD . . 4.030 3.695 3.549 4.133 0.103 10 0 "[ . 1 . 2]" 1
1206 1 64 ARG H 1 64 ARG HD2 . . 4.960 4.720 3.786 5.349 0.389 8 0 "[ . 1 . 2]" 1
1207 1 64 ARG H 1 64 ARG HD3 . . 5.390 4.786 3.607 5.262 . 0 0 "[ . 1 . 2]" 1
1208 1 64 ARG H 1 65 LEU H . . 3.270 2.266 2.216 2.322 . 0 0 "[ . 1 . 2]" 1
1209 1 64 ARG QB 1 65 LEU HA . . 5.320 4.111 4.031 4.774 . 0 0 "[ . 1 . 2]" 1
1210 1 64 ARG QB 1 64 ARG HD3 . . 3.640 2.312 1.974 3.306 . 0 0 "[ . 1 . 2]" 1
1211 1 64 ARG H 1 65 LEU QD . . 4.930 4.461 4.361 4.705 . 0 0 "[ . 1 . 2]" 1
1212 1 64 ARG H 1 65 LEU HG . . 4.890 4.315 4.155 4.728 . 0 0 "[ . 1 . 2]" 1
1213 1 64 ARG H 1 77 VAL QG . . 5.500 4.449 4.326 4.763 . 0 0 "[ . 1 . 2]" 1
1214 1 64 ARG HA 1 64 ARG HD3 . . 4.510 4.049 3.177 4.583 0.073 12 0 "[ . 1 . 2]" 1
1215 1 64 ARG H 1 64 ARG QB . . 3.050 2.283 2.244 2.390 . 0 0 "[ . 1 . 2]" 1
1216 1 64 ARG HA 1 64 ARG HD2 . . 4.700 4.421 3.024 4.708 0.008 7 0 "[ . 1 . 2]" 1
1217 1 64 ARG H 1 65 LEU HA . . 5.220 4.955 4.894 5.008 . 0 0 "[ . 1 . 2]" 1
1218 1 64 ARG H 1 64 ARG QG . . 3.140 2.854 2.687 2.941 . 0 0 "[ . 1 . 2]" 1
1219 1 64 ARG H 1 64 ARG HA . . 2.910 2.908 2.897 2.921 0.011 10 0 "[ . 1 . 2]" 1
1220 1 65 LEU HG 1 66 ASN H . . 4.820 4.554 4.471 4.670 . 0 0 "[ . 1 . 2]" 1
1221 1 65 LEU HB3 1 66 ASN H . . 4.010 3.716 3.283 3.866 . 0 0 "[ . 1 . 2]" 1
1222 1 65 LEU H 1 77 VAL QG . . 5.040 3.165 3.055 3.321 . 0 0 "[ . 1 . 2]" 1
1223 1 65 LEU HA 1 65 LEU QD . . 3.930 2.268 1.944 2.497 . 0 0 "[ . 1 . 2]" 1
1224 1 65 LEU HA 1 68 ILE MD . . 4.160 2.515 2.381 2.781 . 0 0 "[ . 1 . 2]" 1
1225 1 65 LEU QD 1 66 ASN H . . 4.500 4.142 4.019 4.236 . 0 0 "[ . 1 . 2]" 1
1226 1 65 LEU H 1 68 ILE MG . . 4.710 4.174 3.893 4.454 . 0 0 "[ . 1 . 2]" 1
1227 1 65 LEU H 1 65 LEU HB2 . . 3.420 2.416 2.319 2.502 . 0 0 "[ . 1 . 2]" 1
1228 1 65 LEU H 1 65 LEU QD . . 3.770 3.382 3.291 3.536 . 0 0 "[ . 1 . 2]" 1
1229 1 65 LEU HB2 1 66 ASN H . . 3.710 2.831 2.632 2.975 . 0 0 "[ . 1 . 2]" 1
1230 1 65 LEU HB2 1 77 VAL QG . . 3.160 1.895 1.821 2.012 . 0 0 "[ . 1 . 2]" 1
1231 1 65 LEU H 1 66 ASN HB2 . . 4.820 4.514 4.282 4.712 . 0 0 "[ . 1 . 2]" 1
1232 1 65 LEU H 1 66 ASN H . . 2.960 2.100 1.981 2.215 . 0 0 "[ . 1 . 2]" 1
1233 1 65 LEU H 1 66 ASN HA . . 5.130 4.746 4.621 4.870 . 0 0 "[ . 1 . 2]" 1
1234 1 65 LEU HA 1 68 ILE MG . . 3.710 2.088 1.949 2.470 . 0 0 "[ . 1 . 2]" 1
1235 1 65 LEU H 1 65 LEU HB3 . . 3.840 3.640 3.569 3.692 . 0 0 "[ . 1 . 2]" 1
1236 1 65 LEU H 1 66 ASN HB3 . . 4.990 4.204 3.994 4.441 . 0 0 "[ . 1 . 2]" 1
1237 1 65 LEU H 1 65 LEU HG . . 3.210 2.948 2.791 3.259 0.049 19 0 "[ . 1 . 2]" 1
1238 1 65 LEU HB2 1 77 VAL H . . 5.500 4.878 4.634 5.550 0.050 19 0 "[ . 1 . 2]" 1
1239 1 66 ASN H 1 67 ASN H . . 4.790 4.503 4.436 4.578 . 0 0 "[ . 1 . 2]" 1
1240 1 66 ASN HA 1 77 VAL H . . 3.490 2.034 1.927 2.278 . 0 0 "[ . 1 . 2]" 1
1241 1 66 ASN HA 1 67 ASN H . . 2.700 2.148 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
1242 1 66 ASN H 1 66 ASN HB2 . . 2.800 2.612 2.404 2.726 . 0 0 "[ . 1 . 2]" 1
1243 1 66 ASN H 1 68 ILE HG12 . . 5.430 5.390 5.294 5.439 0.009 11 0 "[ . 1 . 2]" 1
1244 1 66 ASN QD 1 67 ASN QD . . 3.250 2.280 1.917 3.047 . 0 0 "[ . 1 . 2]" 1
1245 1 66 ASN HB2 1 77 VAL H . . 4.380 3.367 2.602 3.757 . 0 0 "[ . 1 . 2]" 1
1246 1 66 ASN QD 1 67 ASN H . . 5.210 3.055 2.075 4.306 . 0 0 "[ . 1 . 2]" 1
1247 1 66 ASN HA 1 77 VAL QG . . 3.810 2.251 1.921 2.536 . 0 0 "[ . 1 . 2]" 1
1248 1 66 ASN H 1 77 VAL H . . 4.940 4.248 4.032 4.515 . 0 0 "[ . 1 . 2]" 1
1249 1 66 ASN HA 1 76 THR HA . . 3.680 2.623 2.130 2.923 . 0 0 "[ . 1 . 2]" 1
1250 1 66 ASN QD 1 77 VAL H . . 4.970 3.455 1.889 4.534 . 0 0 "[ . 1 . 2]" 1
1251 1 66 ASN H 1 66 ASN HB3 . . 2.850 2.464 2.358 2.669 . 0 0 "[ . 1 . 2]" 1
1252 1 66 ASN HB2 1 76 THR HA . . 5.440 4.853 4.267 5.202 . 0 0 "[ . 1 . 2]" 1
1253 1 66 ASN HB2 1 67 ASN H . . 4.590 4.211 4.030 4.271 . 0 0 "[ . 1 . 2]" 1
1254 1 66 ASN QD 1 67 ASN HB3 . . 5.240 4.445 3.531 5.102 . 0 0 "[ . 1 . 2]" 1
1255 1 66 ASN HA 1 77 VAL HB . . 5.370 4.909 3.391 5.116 . 0 0 "[ . 1 . 2]" 1
1256 1 66 ASN H 1 77 VAL QG . . 3.140 2.393 2.134 2.565 . 0 0 "[ . 1 . 2]" 1
1257 1 66 ASN HB2 1 77 VAL QG . . 4.010 2.297 1.916 2.746 . 0 0 "[ . 1 . 2]" 1
1258 1 66 ASN QD 1 67 ASN HB2 . . 4.870 3.132 1.925 4.257 . 0 0 "[ . 1 . 2]" 1
1259 1 66 ASN HB3 1 77 VAL QG . . 4.800 3.462 3.250 3.643 . 0 0 "[ . 1 . 2]" 1
1260 1 66 ASN H 1 77 VAL HB . . 5.500 5.195 3.392 5.503 0.003 2 0 "[ . 1 . 2]" 1
1261 1 66 ASN H 1 76 THR HA . . 5.170 5.136 4.711 5.258 0.088 10 0 "[ . 1 . 2]" 1
1262 1 67 ASN HB3 1 68 ILE H . . 4.400 4.129 4.057 4.305 . 0 0 "[ . 1 . 2]" 1
1263 1 67 ASN HB3 1 74 VAL MG1 . . 4.480 3.835 3.421 4.552 0.072 19 0 "[ . 1 . 2]" 1
1264 1 67 ASN HA 1 67 ASN QD . . 4.550 2.521 2.043 3.388 . 0 0 "[ . 1 . 2]" 1
1265 1 67 ASN H 1 77 VAL H . . 3.720 3.135 2.976 3.322 . 0 0 "[ . 1 . 2]" 1
1266 1 67 ASN HA 1 76 THR H . . 5.500 5.399 5.199 5.624 0.124 19 0 "[ . 1 . 2]" 1
1267 1 67 ASN H 1 76 THR H . . 5.100 4.672 4.553 4.753 . 0 0 "[ . 1 . 2]" 1
1268 1 67 ASN HA 1 74 VAL MG1 . . 3.090 2.690 2.530 2.941 . 0 0 "[ . 1 . 2]" 1
1269 1 67 ASN HB2 1 68 ILE H . . 4.890 4.575 4.416 4.630 . 0 0 "[ . 1 . 2]" 1
1270 1 67 ASN H 1 67 ASN HA . . 2.670 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
1271 1 67 ASN QD 1 74 VAL MG1 . . 4.840 3.810 3.157 4.500 . 0 0 "[ . 1 . 2]" 1
1272 1 67 ASN HA 1 76 THR MG . . 4.440 2.547 2.256 2.905 . 0 0 "[ . 1 . 2]" 1
1273 1 67 ASN HB2 1 76 THR HA . . 5.500 5.237 5.040 5.551 0.051 6 0 "[ . 1 . 2]" 1
1274 1 67 ASN H 1 75 ILE MG . . 5.130 5.001 4.786 5.145 0.015 5 0 "[ . 1 . 2]" 1
1275 1 67 ASN H 1 68 ILE HG13 . . 5.500 5.428 5.213 5.534 0.034 12 0 "[ . 1 . 2]" 1
1276 1 67 ASN H 1 68 ILE H . . 3.340 3.247 2.936 3.340 0.000 3 0 "[ . 1 . 2]" 1
1277 1 67 ASN H 1 68 ILE MG . . 4.280 3.885 3.763 4.062 . 0 0 "[ . 1 . 2]" 1
1278 1 67 ASN H 1 76 THR HA . . 3.030 1.930 1.827 1.955 . 0 0 "[ . 1 . 2]" 1
1279 1 67 ASN H 1 77 VAL QG . . 4.740 3.807 3.635 4.040 . 0 0 "[ . 1 . 2]" 1
1280 1 67 ASN H 1 67 ASN HB2 . . 3.920 3.341 3.239 3.671 . 0 0 "[ . 1 . 2]" 1
1281 1 67 ASN QD 1 76 THR MG . . 4.370 2.574 2.040 3.449 . 0 0 "[ . 1 . 2]" 1
1282 1 67 ASN H 1 76 THR HB . . 4.230 2.893 2.554 3.246 . 0 0 "[ . 1 . 2]" 1
1283 1 67 ASN HA 1 76 THR HA . . 3.890 3.545 3.357 3.744 . 0 0 "[ . 1 . 2]" 1
1284 1 67 ASN H 1 67 ASN QD . . 5.190 2.485 2.221 3.203 . 0 0 "[ . 1 . 2]" 1
1285 1 67 ASN H 1 76 THR MG . . 4.180 2.799 2.465 2.931 . 0 0 "[ . 1 . 2]" 1
1286 1 68 ILE HG13 1 75 ILE H . . 3.300 2.881 2.753 2.987 . 0 0 "[ . 1 . 2]" 1
1287 1 68 ILE HG12 1 68 ILE MG . . 3.400 2.392 2.355 2.425 . 0 0 "[ . 1 . 2]" 1
1288 1 68 ILE H 1 68 ILE MG . . 3.100 3.034 2.752 3.203 0.103 19 0 "[ . 1 . 2]" 1
1289 1 68 ILE HA 1 74 VAL MG1 . . 5.500 4.073 3.875 4.439 . 0 0 "[ . 1 . 2]" 1
1290 1 68 ILE HG13 1 70 PHE H . . 5.120 5.017 4.729 5.131 0.011 11 0 "[ . 1 . 2]" 1
1291 1 68 ILE HA 1 68 ILE MG . . 3.210 2.371 2.322 2.413 . 0 0 "[ . 1 . 2]" 1
1292 1 68 ILE HB 1 69 GLU H . . 3.220 2.938 2.831 3.016 . 0 0 "[ . 1 . 2]" 1
1293 1 68 ILE H 1 68 ILE HG13 . . 3.360 2.939 2.836 3.055 . 0 0 "[ . 1 . 2]" 1
1294 1 68 ILE H 1 75 ILE MG . . 4.900 4.727 4.611 4.855 . 0 0 "[ . 1 . 2]" 1
1295 1 68 ILE H 1 68 ILE HB . . 4.000 3.868 3.801 3.902 . 0 0 "[ . 1 . 2]" 1
1296 1 68 ILE H 1 69 GLU H . . 4.500 4.348 4.299 4.453 . 0 0 "[ . 1 . 2]" 1
1297 1 68 ILE H 1 75 ILE H . . 4.250 3.196 3.031 3.312 . 0 0 "[ . 1 . 2]" 1
1298 1 68 ILE MD 1 75 ILE H . . 4.810 4.256 4.157 4.347 . 0 0 "[ . 1 . 2]" 1
1299 1 68 ILE H 1 74 VAL MG1 . . 3.350 2.638 2.373 3.120 . 0 0 "[ . 1 . 2]" 1
1300 1 68 ILE H 1 68 ILE HG12 . . 3.230 2.431 2.246 2.519 . 0 0 "[ . 1 . 2]" 1
1301 1 68 ILE HB 1 68 ILE MD . . 3.310 2.308 2.232 2.348 . 0 0 "[ . 1 . 2]" 1
1302 1 68 ILE H 1 75 ILE HB . . 4.110 3.850 3.608 4.003 . 0 0 "[ . 1 . 2]" 1
1303 1 68 ILE HA 1 69 GLU H . . 2.510 2.210 2.191 2.240 . 0 0 "[ . 1 . 2]" 1
1304 1 68 ILE H 1 76 THR HA . . 4.340 3.860 3.708 4.014 . 0 0 "[ . 1 . 2]" 1
1305 1 68 ILE HG13 1 69 GLU H . . 4.180 4.148 3.967 4.218 0.038 9 0 "[ . 1 . 2]" 1
1306 1 68 ILE MG 1 69 GLU H . . 3.920 3.811 3.675 3.886 . 0 0 "[ . 1 . 2]" 1
1307 1 68 ILE HG13 1 75 ILE HB . . 4.310 2.368 2.082 2.537 . 0 0 "[ . 1 . 2]" 1
1308 1 69 GLU H 1 70 PHE H . . 4.710 4.541 4.491 4.565 . 0 0 "[ . 1 . 2]" 1
1309 1 69 GLU HA 1 72 GLY H . . 5.410 5.267 5.053 5.423 0.013 20 0 "[ . 1 . 2]" 1
1310 1 69 GLU H 1 75 ILE H . . 5.010 5.047 5.016 5.112 0.102 18 0 "[ . 1 . 2]" 1
1311 1 69 GLU H 1 70 PHE HB2 . . 5.240 4.918 4.823 5.014 . 0 0 "[ . 1 . 2]" 1
1312 1 69 GLU HG2 1 72 GLY H . . 4.310 3.439 2.926 4.035 . 0 0 "[ . 1 . 2]" 1
1313 1 69 GLU H 1 69 GLU HB3 . . 2.990 2.613 2.396 2.812 . 0 0 "[ . 1 . 2]" 1
1314 1 69 GLU HB2 1 70 PHE H . . 4.490 4.218 4.067 4.358 . 0 0 "[ . 1 . 2]" 1
1315 1 69 GLU H 1 75 ILE MD . . 5.500 4.755 4.569 5.014 . 0 0 "[ . 1 . 2]" 1
1316 1 69 GLU HG2 1 73 SER H . . 4.180 4.165 3.367 4.771 0.591 8 2 "[ . + 1 . -]" 1
1317 1 69 GLU HG3 1 73 SER H . . 4.750 4.238 3.431 4.782 0.032 12 0 "[ . 1 . 2]" 1
1318 1 69 GLU H 1 69 GLU HB2 . . 2.980 2.598 2.400 2.846 . 0 0 "[ . 1 . 2]" 1
1319 1 69 GLU HG2 1 72 GLY HA2 . . 3.680 3.835 3.393 4.414 0.734 20 4 "[ .* 1 .*- +]" 1
1320 1 69 GLU HA 1 70 PHE H . . 2.980 2.180 2.149 2.200 . 0 0 "[ . 1 . 2]" 1
1321 1 69 GLU H 1 69 GLU HG2 . . 4.520 4.495 4.331 4.685 0.165 8 0 "[ . 1 . 2]" 1
1322 1 69 GLU H 1 74 VAL MG1 . . 5.270 4.496 4.285 4.912 . 0 0 "[ . 1 . 2]" 1
1323 1 69 GLU HB3 1 70 PHE H . . 4.260 3.983 3.770 4.193 . 0 0 "[ . 1 . 2]" 1
1324 1 69 GLU HG2 1 70 PHE H . . 3.880 2.872 2.296 3.725 . 0 0 "[ . 1 . 2]" 1
1325 1 69 GLU HA 1 75 ILE H . . 4.150 3.616 3.509 3.737 . 0 0 "[ . 1 . 2]" 1
1326 1 70 PHE HA 1 70 PHE QE . . 5.500 4.307 4.209 4.478 . 0 0 "[ . 1 . 2]" 1
1327 1 70 PHE H 1 72 GLY H . . 4.120 3.589 3.470 3.723 . 0 0 "[ . 1 . 2]" 1
1328 1 70 PHE HB3 1 75 ILE H . . 5.290 4.931 4.759 5.229 . 0 0 "[ . 1 . 2]" 1
1329 1 70 PHE H 1 74 VAL HA . . 4.270 3.549 3.398 3.720 . 0 0 "[ . 1 . 2]" 1
1330 1 70 PHE HB2 1 71 ARG H . . 4.700 4.490 4.435 4.563 . 0 0 "[ . 1 . 2]" 1
1331 1 70 PHE H 1 73 SER HB3 . . 5.500 5.251 3.876 5.567 0.067 3 0 "[ . 1 . 2]" 1
1332 1 70 PHE H 1 71 ARG H . . 4.300 4.017 3.959 4.109 . 0 0 "[ . 1 . 2]" 1
1333 1 70 PHE HA 1 75 ILE MD . . 4.080 3.994 3.954 4.060 . 0 0 "[ . 1 . 2]" 1
1334 1 70 PHE H 1 73 SER H . . 3.200 2.718 2.520 2.850 . 0 0 "[ . 1 . 2]" 1
1335 1 70 PHE HB2 1 75 ILE MD . . 4.120 2.117 1.946 2.285 . 0 0 "[ . 1 . 2]" 1
1336 1 70 PHE H 1 75 ILE H . . 4.240 4.130 3.911 4.256 0.016 16 0 "[ . 1 . 2]" 1
1337 1 70 PHE HA 1 71 ARG H . . 2.810 2.144 2.139 2.156 . 0 0 "[ . 1 . 2]" 1
1338 1 70 PHE H 1 70 PHE HB2 . . 3.270 3.074 2.963 3.151 . 0 0 "[ . 1 . 2]" 1
1339 1 70 PHE HB3 1 71 ARG HG3 . . 4.550 3.689 3.002 4.184 . 0 0 "[ . 1 . 2]" 1
1340 1 70 PHE HB3 1 71 ARG H . . 3.900 3.876 3.772 3.967 0.067 19 0 "[ . 1 . 2]" 1
1341 1 70 PHE HA 1 73 SER H . . 4.600 4.309 4.239 4.374 . 0 0 "[ . 1 . 2]" 1
1342 1 70 PHE HA 1 71 ARG HA . . 4.520 4.365 4.362 4.371 . 0 0 "[ . 1 . 2]" 1
1343 1 70 PHE HA 1 71 ARG HG3 . . 5.500 4.479 3.596 4.769 . 0 0 "[ . 1 . 2]" 1
1344 1 70 PHE HB2 1 73 SER H . . 5.210 5.080 4.869 5.222 0.012 10 0 "[ . 1 . 2]" 1
1345 1 70 PHE H 1 72 GLY HA2 . . 5.080 4.646 4.563 4.755 . 0 0 "[ . 1 . 2]" 1
1346 1 70 PHE H 1 73 SER HB2 . . 4.880 4.203 3.684 5.217 0.337 18 0 "[ . 1 . 2]" 1
1347 1 70 PHE H 1 74 VAL H . . 4.980 4.833 4.727 4.922 . 0 0 "[ . 1 . 2]" 1
1348 1 70 PHE H 1 70 PHE HB3 . . 3.420 3.377 3.238 3.435 0.015 7 0 "[ . 1 . 2]" 1
1349 1 70 PHE H 1 75 ILE MD . . 3.930 2.965 2.843 3.087 . 0 0 "[ . 1 . 2]" 1
1350 1 70 PHE QD 1 71 ARG HG2 . . 5.200 3.857 2.318 5.009 . 0 0 "[ . 1 . 2]" 1
1351 1 70 PHE QD 1 71 ARG QB . . 5.500 3.792 2.948 4.438 . 0 0 "[ . 1 . 2]" 1
1352 1 71 ARG HG3 1 73 SER H . . 5.370 5.338 4.727 5.586 0.216 17 0 "[ . 1 . 2]" 1
1353 1 71 ARG HA 1 71 ARG HG3 . . 3.590 3.410 2.923 3.777 0.187 18 0 "[ . 1 . 2]" 1
1354 1 71 ARG H 1 71 ARG HA . . 2.580 2.274 2.274 2.275 . 0 0 "[ . 1 . 2]" 1
1355 1 71 ARG HG3 1 72 GLY H . . 5.010 5.286 4.750 5.549 0.539 15 2 "[ . 1 + - 2]" 1
1356 1 71 ARG H 1 71 ARG HG2 . . 4.110 3.089 2.559 3.714 . 0 0 "[ . 1 . 2]" 1
1357 1 71 ARG H 1 71 ARG HD3 . . 5.350 5.247 4.453 5.551 0.201 5 0 "[ . 1 . 2]" 1
1358 1 71 ARG H 1 72 GLY H . . 3.360 2.682 2.654 2.726 . 0 0 "[ . 1 . 2]" 1
1359 1 71 ARG H 1 71 ARG HG3 . . 3.390 3.418 2.838 3.889 0.499 18 0 "[ . 1 . 2]" 1
1360 1 71 ARG HG2 1 72 GLY H . . 5.500 4.915 4.677 5.299 . 0 0 "[ . 1 . 2]" 1
1361 1 71 ARG H 1 73 SER H . . 4.340 4.033 3.994 4.056 . 0 0 "[ . 1 . 2]" 1
1362 1 71 ARG H 1 71 ARG QB . . 3.610 3.308 3.209 3.419 . 0 0 "[ . 1 . 2]" 1
1363 1 71 ARG HA 1 71 ARG HG2 . . 3.900 2.418 2.198 2.743 . 0 0 "[ . 1 . 2]" 1
1364 1 71 ARG HA 1 71 ARG HD2 . . 5.260 4.408 3.121 4.803 . 0 0 "[ . 1 . 2]" 1
1365 1 72 GLY H 1 73 SER H . . 3.080 2.556 2.486 2.599 . 0 0 "[ . 1 . 2]" 1
1366 1 72 GLY H 1 75 ILE MD . . 5.490 5.461 5.363 5.555 0.065 18 0 "[ . 1 . 2]" 1
1367 1 72 GLY HA3 1 73 SER H . . 3.340 3.357 3.322 3.397 0.057 8 0 "[ . 1 . 2]" 1
1368 1 72 GLY H 1 72 GLY HA2 . . 2.550 2.310 2.306 2.322 . 0 0 "[ . 1 . 2]" 1
1369 1 73 SER HB2 1 74 VAL H . . 3.560 3.664 2.967 3.923 0.363 19 0 "[ . 1 . 2]" 1
1370 1 73 SER H 1 75 ILE MD . . 4.710 3.988 3.871 4.140 . 0 0 "[ . 1 . 2]" 1
1371 1 73 SER H 1 73 SER HB3 . . 3.870 3.712 2.439 3.855 . 0 0 "[ . 1 . 2]" 1
1372 1 73 SER H 1 73 SER HB2 . . 3.660 2.957 2.547 3.585 . 0 0 "[ . 1 . 2]" 1
1373 1 73 SER HA 1 74 VAL HB . . 5.100 4.696 4.643 4.748 . 0 0 "[ . 1 . 2]" 1
1374 1 73 SER H 1 74 VAL H . . 4.560 4.447 4.367 4.513 . 0 0 "[ . 1 . 2]" 1
1375 1 73 SER HA 1 74 VAL H . . 2.510 2.233 2.178 2.332 . 0 0 "[ . 1 . 2]" 1
1376 1 73 SER HB3 1 74 VAL H . . 3.930 3.124 2.750 3.955 0.025 18 0 "[ . 1 . 2]" 1
1377 1 74 VAL MG2 1 75 ILE H . . 5.120 4.207 4.149 4.254 . 0 0 "[ . 1 . 2]" 1
1378 1 74 VAL MG1 1 76 THR H . . 5.500 4.934 4.836 5.008 . 0 0 "[ . 1 . 2]" 1
1379 1 74 VAL HB 1 75 ILE H . . 4.520 4.382 4.335 4.415 . 0 0 "[ . 1 . 2]" 1
1380 1 74 VAL HA 1 75 ILE H . . 2.720 2.172 2.155 2.183 . 0 0 "[ . 1 . 2]" 1
1381 1 74 VAL MG1 1 76 THR MG . . 3.880 2.717 2.611 2.864 . 0 0 "[ . 1 . 2]" 1
1382 1 74 VAL H 1 74 VAL HB . . 2.960 2.570 2.518 2.643 . 0 0 "[ . 1 . 2]" 1
1383 1 74 VAL H 1 74 VAL MG2 . . 2.700 2.483 2.267 2.624 . 0 0 "[ . 1 . 2]" 1
1384 1 74 VAL MG1 1 76 THR HA . . 5.290 4.666 4.568 4.723 . 0 0 "[ . 1 . 2]" 1
1385 1 74 VAL HA 1 74 VAL MG2 . . 3.200 2.356 2.298 2.431 . 0 0 "[ . 1 . 2]" 1
1386 1 74 VAL HA 1 74 VAL MG1 . . 3.570 2.299 2.242 2.370 . 0 0 "[ . 1 . 2]" 1
1387 1 74 VAL HB 1 75 ILE HA . . 5.500 4.965 4.921 5.012 . 0 0 "[ . 1 . 2]" 1
1388 1 74 VAL H 1 75 ILE H . . 4.270 4.215 4.139 4.276 0.006 14 0 "[ . 1 . 2]" 1
1389 1 74 VAL H 1 76 THR MG . . 5.500 5.556 5.486 5.592 0.092 8 0 "[ . 1 . 2]" 1
1390 1 74 VAL H 1 74 VAL MG1 . . 3.850 3.815 3.796 3.855 0.005 18 0 "[ . 1 . 2]" 1
1391 1 75 ILE HB 1 75 ILE MD . . 3.720 2.129 2.064 2.204 . 0 0 "[ . 1 . 2]" 1
1392 1 75 ILE HG12 1 76 THR H . . 4.880 4.822 4.745 4.902 0.022 18 0 "[ . 1 . 2]" 1
1393 1 75 ILE H 1 75 ILE MG . . 3.890 3.802 3.796 3.806 . 0 0 "[ . 1 . 2]" 1
1394 1 75 ILE H 1 75 ILE MD . . 3.150 1.963 1.891 2.147 . 0 0 "[ . 1 . 2]" 1
1395 1 75 ILE HB 1 76 THR H . . 3.990 3.729 3.640 3.853 . 0 0 "[ . 1 . 2]" 1
1396 1 75 ILE H 1 76 THR H . . 4.680 4.590 4.582 4.595 . 0 0 "[ . 1 . 2]" 1
1397 1 75 ILE HG12 1 75 ILE MG . . 3.190 2.050 1.991 2.126 . 0 0 "[ . 1 . 2]" 1
1398 1 75 ILE MD 1 76 THR H . . 5.500 4.933 4.891 4.994 . 0 0 "[ . 1 . 2]" 1
1399 1 75 ILE MG 1 77 VAL H . . 4.940 4.619 4.441 4.806 . 0 0 "[ . 1 . 2]" 1
1400 1 75 ILE HA 1 75 ILE MG . . 3.570 2.233 2.180 2.288 . 0 0 "[ . 1 . 2]" 1
1401 1 75 ILE HA 1 76 THR MG . . 3.420 3.137 3.085 3.194 . 0 0 "[ . 1 . 2]" 1
1402 1 75 ILE HG13 1 76 THR H . . 4.630 4.419 4.347 4.467 . 0 0 "[ . 1 . 2]" 1
1403 1 75 ILE MD 1 75 ILE MG . . 3.230 3.095 3.016 3.138 . 0 0 "[ . 1 . 2]" 1
1404 1 75 ILE MG 1 77 VAL QG . . 3.730 3.048 2.778 3.432 . 0 0 "[ . 1 . 2]" 1
1405 1 75 ILE H 1 75 ILE HB . . 3.390 2.615 2.563 2.649 . 0 0 "[ . 1 . 2]" 1
1406 1 75 ILE HA 1 75 ILE HG13 . . 3.720 2.455 2.401 2.488 . 0 0 "[ . 1 . 2]" 1
1407 1 75 ILE MG 1 76 THR H . . 3.170 2.066 1.906 2.191 . 0 0 "[ . 1 . 2]" 1
1408 1 75 ILE HA 1 76 THR H . . 3.060 2.274 2.239 2.299 . 0 0 "[ . 1 . 2]" 1
1409 1 76 THR H 1 77 VAL HA . . 5.240 4.778 4.750 4.823 . 0 0 "[ . 1 . 2]" 1
1410 1 76 THR H 1 77 VAL H . . 4.560 4.398 4.339 4.435 . 0 0 "[ . 1 . 2]" 1
1411 1 76 THR H 1 77 VAL QG . . 4.420 4.079 3.865 4.358 . 0 0 "[ . 1 . 2]" 1
1412 1 76 THR HB 1 77 VAL QG . . 5.500 4.207 4.068 4.367 . 0 0 "[ . 1 . 2]" 1
1413 1 76 THR HB 1 77 VAL HA . . 5.500 4.835 4.751 4.896 . 0 0 "[ . 1 . 2]" 1
1414 1 76 THR HA 1 77 VAL QG . . 5.500 3.259 3.093 3.310 . 0 0 "[ . 1 . 2]" 1
1415 1 76 THR HA 1 76 THR MG . . 3.200 2.570 2.533 2.624 . 0 0 "[ . 1 . 2]" 1
1416 1 76 THR H 1 76 THR MG . . 3.440 2.585 2.507 2.642 . 0 0 "[ . 1 . 2]" 1
1417 1 76 THR H 1 76 THR HB . . 4.150 3.922 3.892 3.948 . 0 0 "[ . 1 . 2]" 1
1418 1 76 THR HB 1 77 VAL H . . 3.670 2.840 2.596 3.091 . 0 0 "[ . 1 . 2]" 1
1419 1 76 THR HA 1 76 THR HB . . 2.990 2.322 2.295 2.340 . 0 0 "[ . 1 . 2]" 1
1420 1 76 THR MG 1 77 VAL H . . 4.260 4.080 3.988 4.153 . 0 0 "[ . 1 . 2]" 1
1421 1 76 THR HA 1 77 VAL H . . 2.660 2.278 2.190 2.384 . 0 0 "[ . 1 . 2]" 1
1422 1 77 VAL H 1 77 VAL HB . . 4.110 3.764 2.780 3.884 . 0 0 "[ . 1 . 2]" 1
1423 1 77 VAL H 1 77 VAL QG . . 3.460 2.088 1.978 2.327 . 0 0 "[ . 1 . 2]" 1
1424 1 77 VAL QG 1 78 GLU H . . 3.600 3.313 1.923 3.464 . 0 0 "[ . 1 . 2]" 1
1425 1 77 VAL HA 1 78 GLU H . . 2.720 2.224 2.181 2.361 . 0 0 "[ . 1 . 2]" 1
1426 1 77 VAL HB 1 78 GLU H . . 3.180 2.961 2.733 3.464 0.284 19 0 "[ . 1 . 2]" 1
1427 1 77 VAL HA 1 78 GLU QG . . 5.500 3.605 3.283 4.053 . 0 0 "[ . 1 . 2]" 1
1428 1 77 VAL H 1 78 GLU H . . 4.570 4.440 4.370 4.508 . 0 0 "[ . 1 . 2]" 1
1429 1 77 VAL QG 1 78 GLU HA . . 4.070 3.581 3.412 3.767 . 0 0 "[ . 1 . 2]" 1
1430 1 77 VAL HB 1 78 GLU HA . . 5.500 4.413 4.248 4.489 . 0 0 "[ . 1 . 2]" 1
1431 1 78 GLU QG 1 79 ARG H . . 4.530 4.165 3.895 4.405 . 0 0 "[ . 1 . 2]" 1
1432 1 78 GLU HB2 1 79 ARG H . . 3.410 3.173 2.902 3.471 0.061 19 0 "[ . 1 . 2]" 1
1433 1 78 GLU H 1 78 GLU HB3 . . 3.820 3.427 3.229 3.650 . 0 0 "[ . 1 . 2]" 1
1434 1 78 GLU HB2 1 79 ARG QD . . 5.500 4.266 3.114 5.507 0.007 5 0 "[ . 1 . 2]" 1
1435 1 78 GLU HA 1 79 ARG H . . 2.540 2.173 2.140 2.236 . 0 0 "[ . 1 . 2]" 1
1436 1 78 GLU H 1 78 GLU QG . . 3.710 2.438 2.263 2.615 . 0 0 "[ . 1 . 2]" 1
1437 1 78 GLU H 1 79 ARG H . . 4.540 4.206 3.941 4.308 . 0 0 "[ . 1 . 2]" 1
1438 1 78 GLU HB3 1 79 ARG H . . 4.270 4.105 3.850 4.247 . 0 0 "[ . 1 . 2]" 1
1439 1 79 ARG H 1 79 ARG QD . . 4.340 2.400 1.877 4.038 . 0 0 "[ . 1 . 2]" 1
1440 1 79 ARG HA 1 79 ARG QD . . 5.110 3.858 3.562 4.214 . 0 0 "[ . 1 . 2]" 1
1441 1 79 ARG H 1 80 ASP HA . . 5.500 5.491 5.376 5.541 0.041 3 0 "[ . 1 . 2]" 1
1442 1 79 ARG QB 1 80 ASP H . . 3.870 2.965 2.784 3.239 . 0 0 "[ . 1 . 2]" 1
1443 1 79 ARG H 1 79 ARG QB . . 2.990 2.423 2.277 2.633 . 0 0 "[ . 1 . 2]" 1
1444 1 79 ARG H 1 80 ASP H . . 4.750 4.602 4.517 4.627 . 0 0 "[ . 1 . 2]" 1
1445 1 79 ARG H 1 79 ARG QG . . 3.670 2.762 1.930 3.367 . 0 0 "[ . 1 . 2]" 1
1446 1 79 ARG HA 1 80 ASP H . . 2.730 2.208 2.145 2.247 . 0 0 "[ . 1 . 2]" 1
1447 1 79 ARG QG 1 80 ASP H . . 4.140 3.838 3.479 4.230 0.090 13 0 "[ . 1 . 2]" 1
1448 1 80 ASP HA 1 81 ASP H . . 2.470 2.160 2.138 2.214 . 0 0 "[ . 1 . 2]" 1
1449 1 80 ASP H 1 81 ASP H . . 4.500 4.204 3.878 4.492 . 0 0 "[ . 1 . 2]" 1
1450 1 80 ASP H 1 80 ASP HB3 . . 3.460 2.757 2.197 3.021 . 0 0 "[ . 1 . 2]" 1
1451 1 80 ASP H 1 80 ASP HB2 . . 3.420 3.090 2.763 3.378 . 0 0 "[ . 1 . 2]" 1
1452 1 81 ASP H 1 82 ASN HD21 . . 5.500 5.211 3.889 6.259 0.759 13 5 "[ * .- 1 + . * *]" 1
1453 1 81 ASP HB3 1 82 ASN H . . 3.980 3.924 3.102 4.315 0.335 1 0 "[ . 1 . 2]" 1
1454 1 81 ASP H 1 81 ASP HB2 . . 3.220 3.231 2.436 3.820 0.600 16 5 "[ * - 1* *.+ 2]" 1
1455 1 81 ASP HA 1 82 ASN H . . 3.370 2.188 2.141 2.314 . 0 0 "[ . 1 . 2]" 1
1456 1 81 ASP H 1 81 ASP HB3 . . 3.820 3.137 2.686 3.775 . 0 0 "[ . 1 . 2]" 1
1457 1 82 ASN HB2 1 82 ASN HD22 . . 3.710 3.670 3.433 4.089 0.379 12 0 "[ . 1 . 2]" 1
1458 1 82 ASN HB3 1 82 ASN HD21 . . 3.600 3.011 2.153 3.523 . 0 0 "[ . 1 . 2]" 1
1459 1 82 ASN H 1 83 PRO HG2 . . 5.500 5.728 5.726 5.731 0.231 13 0 "[ . 1 . 2]" 1
1460 1 82 ASN H 1 83 PRO HG3 . . 5.280 5.377 5.373 5.381 0.101 13 0 "[ . 1 . 2]" 1
1461 1 82 ASN H 1 83 PRO HD3 . . 3.610 3.115 3.110 3.118 . 0 0 "[ . 1 . 2]" 1
1462 1 82 ASN HB2 1 82 ASN HD21 . . 3.270 2.637 2.113 3.537 0.267 12 0 "[ . 1 . 2]" 1
1463 1 82 ASN H 1 83 PRO HD2 . . 3.940 3.913 3.910 3.916 . 0 0 "[ . 1 . 2]" 1
1464 1 82 ASN H 1 82 ASN HD21 . . 3.940 3.120 2.250 3.828 . 0 0 "[ . 1 . 2]" 1
1465 1 82 ASN H 1 82 ASN HD22 . . 4.530 3.960 3.142 4.499 . 0 0 "[ . 1 . 2]" 1
1466 1 82 ASN H 1 82 ASN HB3 . . 4.100 3.706 3.207 3.860 . 0 0 "[ . 1 . 2]" 1
1467 1 82 ASN HA 1 83 PRO HD3 . . 3.350 2.937 2.935 2.940 . 0 0 "[ . 1 . 2]" 1
1468 1 82 ASN H 1 82 ASN HB2 . . 3.710 3.048 2.628 3.809 0.099 10 0 "[ . 1 . 2]" 1
1469 1 85 PRO HA 1 86 ILE H . . 2.830 2.592 2.545 2.636 . 0 0 "[ . 1 . 2]" 1
1470 1 85 PRO HB2 1 87 ARG H . . 3.710 2.421 2.267 2.655 . 0 0 "[ . 1 . 2]" 1
1471 1 85 PRO HB3 1 86 ILE H . . 3.500 3.249 3.210 3.292 . 0 0 "[ . 1 . 2]" 1
1472 1 85 PRO QG 1 86 ILE H . . 3.930 3.835 3.756 3.918 . 0 0 "[ . 1 . 2]" 1
1473 1 85 PRO HB2 1 86 ILE H . . 3.580 2.170 2.076 2.273 . 0 0 "[ . 1 . 2]" 1
1474 1 85 PRO HD2 1 86 ILE H . . 5.500 5.415 5.369 5.462 . 0 0 "[ . 1 . 2]" 1
1475 1 85 PRO HD3 1 86 ILE H . . 5.500 5.419 5.387 5.452 . 0 0 "[ . 1 . 2]" 1
1476 1 85 PRO HB3 1 87 ARG H . . 4.440 4.101 4.024 4.248 . 0 0 "[ . 1 . 2]" 1
1477 1 85 PRO HA 1 87 ARG H . . 4.560 4.337 4.251 4.477 . 0 0 "[ . 1 . 2]" 1
1478 1 85 PRO HA 1 86 ILE MG . . 4.980 3.687 3.452 4.069 . 0 0 "[ . 1 . 2]" 1
1479 1 86 ILE H 1 87 ARG H . . 3.020 2.207 1.921 2.653 . 0 0 "[ . 1 . 2]" 1
1480 1 86 ILE H 1 86 ILE MD . . 4.170 3.341 1.834 3.748 . 0 0 "[ . 1 . 2]" 1
1481 1 86 ILE HG12 1 87 ARG H . . 3.880 2.889 2.136 3.809 . 0 0 "[ . 1 . 2]" 1
1482 1 86 ILE HG13 1 87 ARG H . . 3.790 2.659 2.119 3.985 0.195 9 0 "[ . 1 . 2]" 1
1483 1 86 ILE H 1 86 ILE HG13 . . 3.730 2.955 2.065 3.834 0.104 9 0 "[ . 1 . 2]" 1
1484 1 86 ILE MD 1 87 ARG H . . 4.270 3.732 1.907 4.079 . 0 0 "[ . 1 . 2]" 1
1485 1 86 ILE H 1 86 ILE HB . . 3.700 3.665 3.602 3.711 0.011 4 0 "[ . 1 . 2]" 1
1486 1 86 ILE H 1 86 ILE MG . . 3.520 2.653 1.844 2.971 . 0 0 "[ . 1 . 2]" 1
1487 1 86 ILE H 1 87 ARG QD . . 5.470 4.746 3.239 5.254 . 0 0 "[ . 1 . 2]" 1
1488 1 86 ILE HG12 1 86 ILE MG . . 3.270 2.460 2.142 3.198 . 0 0 "[ . 1 . 2]" 1
1489 1 86 ILE HG13 1 87 ARG HA . . 4.980 3.806 3.211 4.839 . 0 0 "[ . 1 . 2]" 1
1490 1 86 ILE MD 1 86 ILE MG . . 2.880 2.103 1.841 2.760 . 0 0 "[ . 1 . 2]" 1
1491 1 86 ILE HB 1 86 ILE MD . . 3.630 2.487 2.193 3.222 . 0 0 "[ . 1 . 2]" 1
1492 1 86 ILE H 1 86 ILE HG12 . . 3.310 2.182 1.968 3.439 0.129 9 0 "[ . 1 . 2]" 1
1493 1 87 ARG H 1 87 ARG QD . . 3.920 3.434 1.930 3.922 0.002 12 0 "[ . 1 . 2]" 1
1494 1 87 ARG H 1 87 ARG QB . . 3.200 2.535 2.203 3.064 . 0 0 "[ . 1 . 2]" 1
1495 1 87 ARG H 1 87 ARG QG . . 3.010 2.231 1.980 2.824 . 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 64
_Distance_constraint_stats_list.Viol_count 394
_Distance_constraint_stats_list.Viol_total 340.589
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0257
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0133
_Distance_constraint_stats_list.Viol_average_violations_only 0.0432
_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 7 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 1.417 0.189 17 0 "[ . 1 . 2]"
1 10 THR 0.237 0.101 19 0 "[ . 1 . 2]"
1 11 MET 0.027 0.014 15 0 "[ . 1 . 2]"
1 12 LYS 0.484 0.095 11 0 "[ . 1 . 2]"
1 14 LEU 0.618 0.054 20 0 "[ . 1 . 2]"
1 19 SER 0.053 0.036 19 0 "[ . 1 . 2]"
1 20 TRP 1.030 0.079 15 0 "[ . 1 . 2]"
1 21 GLN 0.157 0.023 17 0 "[ . 1 . 2]"
1 22 ASP 0.490 0.049 19 0 "[ . 1 . 2]"
1 23 LEU 0.855 0.083 19 0 "[ . 1 . 2]"
1 24 LYS 1.887 0.079 15 0 "[ . 1 . 2]"
1 25 ASP 1.805 0.111 11 0 "[ . 1 . 2]"
1 26 LEU 1.618 0.076 18 0 "[ . 1 . 2]"
1 27 ALA 1.750 0.083 19 0 "[ . 1 . 2]"
1 28 ARG 0.857 0.060 20 0 "[ . 1 . 2]"
1 29 GLU 1.648 0.111 11 0 "[ . 1 . 2]"
1 30 ASN 1.129 0.076 18 0 "[ . 1 . 2]"
1 32 LEU 0.947 0.076 14 0 "[ . 1 . 2]"
1 36 PHE 0.092 0.082 19 0 "[ . 1 . 2]"
1 38 SER 0.096 0.032 20 0 "[ . 1 . 2]"
1 46 GLY 0.618 0.054 20 0 "[ . 1 . 2]"
1 48 GLY 0.027 0.014 15 0 "[ . 1 . 2]"
1 49 ALA 0.096 0.032 20 0 "[ . 1 . 2]"
1 50 LEU 1.417 0.189 17 0 "[ . 1 . 2]"
1 51 GLU 0.092 0.082 19 0 "[ . 1 . 2]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 2.507 0.127 5 0 "[ . 1 . 2]"
1 57 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.513 0.094 13 0 "[ . 1 . 2]"
1 59 VAL 1.514 0.094 20 0 "[ . 1 . 2]"
1 60 GLU 3.204 0.127 5 0 "[ . 1 . 2]"
1 61 ALA 0.709 0.087 9 0 "[ . 1 . 2]"
1 62 LEU 0.876 0.094 13 0 "[ . 1 . 2]"
1 63 GLU 1.514 0.094 20 0 "[ . 1 . 2]"
1 64 ARG 0.697 0.086 18 0 "[ . 1 . 2]"
1 65 LEU 0.709 0.087 9 0 "[ . 1 . 2]"
1 66 ASN 0.363 0.057 10 0 "[ . 1 . 2]"
1 68 ILE 0.586 0.114 19 0 "[ . 1 . 2]"
1 70 PHE 0.057 0.020 18 0 "[ . 1 . 2]"
1 73 SER 0.057 0.020 18 0 "[ . 1 . 2]"
1 75 ILE 0.586 0.114 19 0 "[ . 1 . 2]"
1 76 THR 0.484 0.095 11 0 "[ . 1 . 2]"
1 78 GLU 0.237 0.101 19 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 9 ILE H 1 50 LEU O . . 2.000 1.955 1.815 2.092 0.092 17 0 "[ . 1 . 2]" 2
2 1 9 ILE N 1 50 LEU O . . 3.000 2.868 2.733 3.005 0.005 17 0 "[ . 1 . 2]" 2
3 1 10 THR H 1 78 GLU O . . 2.000 1.879 1.793 2.030 0.030 12 0 "[ . 1 . 2]" 2
4 1 10 THR N 1 78 GLU O . . 3.000 2.832 2.737 3.000 . 12 0 "[ . 1 . 2]" 2
5 1 11 MET H 1 48 GLY O . . 2.000 1.888 1.791 2.014 0.014 15 0 "[ . 1 . 2]" 2
6 1 11 MET N 1 48 GLY O . . 3.000 2.750 2.721 2.858 . 0 0 "[ . 1 . 2]" 2
7 1 12 LYS H 1 76 THR O . . 2.000 1.868 1.804 1.985 . 0 0 "[ . 1 . 2]" 2
8 1 12 LYS N 1 76 THR O . . 3.000 2.777 2.650 2.936 . 0 0 "[ . 1 . 2]" 2
9 1 14 LEU H 1 46 GLY O . . 2.000 2.025 1.970 2.054 0.054 20 0 "[ . 1 . 2]" 2
10 1 14 LEU N 1 46 GLY O . . 3.000 2.984 2.925 3.020 0.020 7 0 "[ . 1 . 2]" 2
11 1 19 SER O 1 23 LEU H . . 2.000 1.967 1.856 2.036 0.036 19 0 "[ . 1 . 2]" 2
12 1 19 SER O 1 23 LEU N . . 3.000 2.879 2.763 2.943 . 0 0 "[ . 1 . 2]" 2
13 1 20 TRP O 1 24 LYS H . . 2.000 2.051 2.024 2.079 0.079 15 0 "[ . 1 . 2]" 2
14 1 20 TRP O 1 24 LYS N . . 3.000 2.894 2.869 2.922 . 0 0 "[ . 1 . 2]" 2
15 1 21 GLN O 1 25 ASP H . . 2.000 1.988 1.929 2.023 0.023 17 0 "[ . 1 . 2]" 2
16 1 21 GLN O 1 25 ASP N . . 3.000 2.820 2.765 2.870 . 0 0 "[ . 1 . 2]" 2
17 1 22 ASP O 1 26 LEU H . . 2.000 2.024 2.010 2.049 0.049 19 0 "[ . 1 . 2]" 2
18 1 22 ASP O 1 26 LEU N . . 3.000 2.990 2.979 3.013 0.013 19 0 "[ . 1 . 2]" 2
19 1 23 LEU O 1 27 ALA H . . 2.000 2.039 1.978 2.083 0.083 19 0 "[ . 1 . 2]" 2
20 1 23 LEU O 1 27 ALA N . . 3.000 2.884 2.825 2.934 . 0 0 "[ . 1 . 2]" 2
21 1 24 LYS O 1 28 ARG H . . 2.000 2.039 2.022 2.060 0.060 20 0 "[ . 1 . 2]" 2
22 1 24 LYS O 1 28 ARG N . . 3.000 2.994 2.976 3.021 0.021 15 0 "[ . 1 . 2]" 2
23 1 25 ASP O 1 29 GLU H . . 2.000 2.082 2.055 2.111 0.111 11 0 "[ . 1 . 2]" 2
24 1 25 ASP O 1 29 GLU N . . 3.000 2.926 2.869 2.974 . 0 0 "[ . 1 . 2]" 2
25 1 26 LEU O 1 30 ASN H . . 2.000 2.056 2.045 2.076 0.076 18 0 "[ . 1 . 2]" 2
26 1 26 LEU O 1 30 ASN N . . 3.000 2.769 2.728 2.867 . 0 0 "[ . 1 . 2]" 2
27 1 27 ALA O 1 32 LEU H . . 2.000 2.047 2.023 2.076 0.076 14 0 "[ . 1 . 2]" 2
28 1 27 ALA O 1 32 LEU N . . 3.000 2.747 2.711 2.826 . 0 0 "[ . 1 . 2]" 2
29 1 38 SER O 1 49 ALA H . . 2.000 1.922 1.805 2.032 0.032 20 0 "[ . 1 . 2]" 2
30 1 38 SER O 1 49 ALA N . . 3.000 2.867 2.734 2.989 . 0 0 "[ . 1 . 2]" 2
31 1 9 ILE O 1 50 LEU H . . 2.000 2.038 1.892 2.189 0.189 17 0 "[ . 1 . 2]" 2
32 1 9 ILE O 1 50 LEU N . . 3.000 2.969 2.839 3.114 0.114 17 0 "[ . 1 . 2]" 2
33 1 36 PHE O 1 51 GLU H . . 2.000 1.871 1.798 2.082 0.082 19 0 "[ . 1 . 2]" 2
34 1 36 PHE O 1 51 GLU N . . 3.000 2.751 2.719 2.866 . 0 0 "[ . 1 . 2]" 2
35 1 7 TYR O 1 52 PHE H . . 2.000 1.831 1.787 1.932 . 0 0 "[ . 1 . 2]" 2
36 1 7 TYR O 1 52 PHE N . . 3.000 2.799 2.747 2.900 . 0 0 "[ . 1 . 2]" 2
37 1 55 GLU O 1 59 VAL H . . 2.000 1.931 1.880 1.990 . 0 0 "[ . 1 . 2]" 2
38 1 55 GLU O 1 59 VAL N . . 3.000 2.899 2.851 2.952 . 0 0 "[ . 1 . 2]" 2
39 1 56 GLU O 1 60 GLU H . . 2.000 2.102 2.074 2.127 0.127 5 0 "[ . 1 . 2]" 2
40 1 56 GLU O 1 60 GLU N . . 3.000 3.024 3.000 3.056 0.056 7 0 "[ . 1 . 2]" 2
41 1 57 ILE O 1 61 ALA H . . 2.000 1.834 1.814 1.900 . 0 0 "[ . 1 . 2]" 2
42 1 57 ILE O 1 61 ALA N . . 3.000 2.746 2.724 2.807 . 0 0 "[ . 1 . 2]" 2
43 1 58 LEU O 1 62 LEU H . . 2.000 1.990 1.870 2.094 0.094 13 0 "[ . 1 . 2]" 2
44 1 58 LEU O 1 62 LEU N . . 3.000 2.809 2.713 2.922 . 0 0 "[ . 1 . 2]" 2
45 1 59 VAL O 1 63 GLU H . . 2.000 2.069 2.011 2.094 0.094 20 0 "[ . 1 . 2]" 2
46 1 59 VAL O 1 63 GLU N . . 3.000 2.986 2.865 3.032 0.032 7 0 "[ . 1 . 2]" 2
47 1 60 GLU O 1 64 ARG H . . 2.000 2.035 1.997 2.086 0.086 18 0 "[ . 1 . 2]" 2
48 1 60 GLU O 1 64 ARG N . . 3.000 2.778 2.737 2.830 . 0 0 "[ . 1 . 2]" 2
49 1 61 ALA O 1 65 LEU H . . 2.000 2.034 1.987 2.087 0.087 9 0 "[ . 1 . 2]" 2
50 1 61 ALA O 1 65 LEU N . . 3.000 2.708 2.668 2.741 . 0 0 "[ . 1 . 2]" 2
51 1 62 LEU O 1 66 ASN H . . 2.000 1.990 1.835 2.057 0.057 10 0 "[ . 1 . 2]" 2
52 1 62 LEU O 1 66 ASN N . . 3.000 2.838 2.734 2.945 . 0 0 "[ . 1 . 2]" 2
53 1 68 ILE H 1 75 ILE O . . 2.000 2.003 1.895 2.114 0.114 19 0 "[ . 1 . 2]" 2
54 1 68 ILE N 1 75 ILE O . . 3.000 2.919 2.824 3.021 0.021 18 0 "[ . 1 . 2]" 2
55 1 70 PHE H 1 73 SER O . . 2.000 1.864 1.789 1.940 . 0 0 "[ . 1 . 2]" 2
56 1 70 PHE N 1 73 SER O . . 3.000 2.736 2.716 2.760 . 0 0 "[ . 1 . 2]" 2
57 1 70 PHE O 1 73 SER H . . 2.000 1.961 1.851 2.020 0.020 18 0 "[ . 1 . 2]" 2
58 1 70 PHE O 1 73 SER N . . 3.000 2.851 2.750 2.911 . 0 0 "[ . 1 . 2]" 2
59 1 68 ILE O 1 75 ILE H . . 2.000 1.950 1.910 2.003 0.003 18 0 "[ . 1 . 2]" 2
60 1 68 ILE O 1 75 ILE N . . 3.000 2.797 2.739 2.888 . 0 0 "[ . 1 . 2]" 2
61 1 12 LYS O 1 76 THR H . . 2.000 2.000 1.906 2.095 0.095 11 0 "[ . 1 . 2]" 2
62 1 12 LYS O 1 76 THR N . . 3.000 2.945 2.853 3.055 0.055 11 0 "[ . 1 . 2]" 2
63 1 10 THR O 1 78 GLU H . . 2.000 1.916 1.785 2.101 0.101 19 0 "[ . 1 . 2]" 2
64 1 10 THR O 1 78 GLU N . . 3.000 2.834 2.725 2.951 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 9:57:32 PM GMT (wattos1)