NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394734 |
1rgw   |
5696 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rgw
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 845
_Distance_constraint_stats_list.Viol_count 3346
_Distance_constraint_stats_list.Viol_total 7384.815
_Distance_constraint_stats_list.Viol_max 0.616
_Distance_constraint_stats_list.Viol_rms 0.0605
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0218
_Distance_constraint_stats_list.Viol_average_violations_only 0.1104
_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 MET 0.013 0.009 13 0 "[ . 1 . 2]"
1 2 ALA 7.014 0.314 7 0 "[ . 1 . 2]"
1 3 TYR 14.380 0.282 7 0 "[ . 1 . 2]"
1 4 SER 2.314 0.116 8 0 "[ . 1 . 2]"
1 5 VAL 13.993 0.380 20 0 "[ . 1 . 2]"
1 6 THR 4.900 0.315 14 0 "[ . 1 . 2]"
1 7 LEU 3.319 0.229 18 0 "[ . 1 . 2]"
1 8 THR 0.132 0.096 2 0 "[ . 1 . 2]"
1 9 GLY 0.226 0.096 2 0 "[ . 1 . 2]"
1 10 PRO 1.602 0.206 19 0 "[ . 1 . 2]"
1 11 GLY 1.602 0.206 19 0 "[ . 1 . 2]"
1 13 TRP 20.207 0.388 17 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 26.849 0.350 2 0 "[ . 1 . 2]"
1 16 ARG 13.984 0.309 20 0 "[ . 1 . 2]"
1 17 LEU 13.288 0.336 17 0 "[ . 1 . 2]"
1 18 GLN 7.411 0.240 7 0 "[ . 1 . 2]"
1 19 GLY 2.464 0.240 7 0 "[ . 1 . 2]"
1 20 GLY 4.135 0.229 5 0 "[ . 1 . 2]"
1 21 LYS 1.606 0.229 16 0 "[ . 1 . 2]"
1 22 ASP 1.743 0.218 15 0 "[ . 1 . 2]"
1 23 PHE 2.200 0.143 15 0 "[ . 1 . 2]"
1 24 ASN 1.144 0.143 15 0 "[ . 1 . 2]"
1 25 MET 9.478 0.307 1 0 "[ . 1 . 2]"
1 26 PRO 18.267 0.468 1 0 "[ . 1 . 2]"
1 27 LEU 5.634 0.314 10 0 "[ . 1 . 2]"
1 28 THR 21.593 0.423 6 0 "[ . 1 . 2]"
1 29 ILE 18.698 0.326 19 0 "[ . 1 . 2]"
1 30 SER 2.675 0.180 16 0 "[ . 1 . 2]"
1 31 ARG 2.052 0.179 9 0 "[ . 1 . 2]"
1 32 ILE 17.624 0.365 3 0 "[ . 1 . 2]"
1 33 THR 8.508 0.465 3 0 "[ . 1 . 2]"
1 34 PRO 8.056 0.465 3 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 1.127 0.114 3 0 "[ . 1 . 2]"
1 37 LYS 0.856 0.141 16 0 "[ . 1 . 2]"
1 38 ALA 7.423 0.365 3 0 "[ . 1 . 2]"
1 39 ALA 5.658 0.345 20 0 "[ . 1 . 2]"
1 40 GLN 2.123 0.289 2 0 "[ . 1 . 2]"
1 41 SER 3.056 0.190 15 0 "[ . 1 . 2]"
1 42 GLN 3.169 0.214 5 0 "[ . 1 . 2]"
1 43 LEU 12.951 0.380 20 0 "[ . 1 . 2]"
1 44 SER 0.304 0.086 20 0 "[ . 1 . 2]"
1 45 GLN 31.886 0.616 8 4 "[* . +*1 - . 2]"
1 46 GLY 5.596 0.205 2 0 "[ . 1 . 2]"
1 47 ASP 8.513 0.332 13 0 "[ . 1 . 2]"
1 48 LEU 25.963 0.468 1 0 "[ . 1 . 2]"
1 49 VAL 28.822 0.550 14 16 "[***-******** +. * **]"
1 50 VAL 7.778 0.213 5 0 "[ . 1 . 2]"
1 51 ALA 5.840 0.200 1 0 "[ . 1 . 2]"
1 52 ILE 8.602 0.310 9 0 "[ . 1 . 2]"
1 53 ASP 3.347 0.253 18 0 "[ . 1 . 2]"
1 54 GLY 2.359 0.123 9 0 "[ . 1 . 2]"
1 55 VAL 6.658 0.310 9 0 "[ . 1 . 2]"
1 56 ASN 7.295 0.200 1 0 "[ . 1 . 2]"
1 57 THR 8.055 0.269 8 0 "[ . 1 . 2]"
1 58 ASP 2.845 0.180 8 0 "[ . 1 . 2]"
1 59 THR 3.818 0.279 8 0 "[ . 1 . 2]"
1 60 MET 14.574 0.356 19 0 "[ . 1 . 2]"
1 61 THR 4.625 0.298 6 0 "[ . 1 . 2]"
1 62 HIS 3.514 0.218 15 0 "[ . 1 . 2]"
1 63 LEU 7.255 0.177 4 0 "[ . 1 . 2]"
1 64 GLU 18.806 0.356 19 0 "[ . 1 . 2]"
1 65 ALA 4.833 0.222 3 0 "[ . 1 . 2]"
1 66 GLN 6.492 0.336 17 0 "[ . 1 . 2]"
1 67 ASN 2.372 0.151 16 0 "[ . 1 . 2]"
1 68 LYS 5.538 0.249 6 0 "[ . 1 . 2]"
1 69 ILE 16.833 0.616 8 4 "[* . +*1 - . 2]"
1 70 LYS 4.111 0.215 20 0 "[ . 1 . 2]"
1 71 SER 4.750 0.234 15 0 "[ . 1 . 2]"
1 72 ALA 7.343 0.234 15 0 "[ . 1 . 2]"
1 73 SER 1.743 0.215 18 0 "[ . 1 . 2]"
1 74 TYR 0.024 0.024 5 0 "[ . 1 . 2]"
1 75 ASN 6.666 0.271 20 0 "[ . 1 . 2]"
1 76 LEU 12.740 0.271 20 0 "[ . 1 . 2]"
1 77 SER 0.035 0.021 5 0 "[ . 1 . 2]"
1 78 LEU 7.882 0.223 14 0 "[ . 1 . 2]"
1 79 THR 10.130 0.265 16 0 "[ . 1 . 2]"
1 80 LEU 53.482 0.550 14 16 "[***-******** +. * **]"
1 81 GLN 7.088 0.238 11 0 "[ . 1 . 2]"
1 82 LYS 6.927 0.404 9 0 "[ . 1 . 2]"
1 83 SER 2.073 0.258 1 0 "[ . 1 . 2]"
1 84 LYS 0.706 0.135 13 0 "[ . 1 . 2]"
1 85 ARG 0.690 0.135 13 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 MET O 1 82 LYS H 2.100 . 2.600 2.044 1.845 2.609 0.009 13 0 "[ . 1 . 2]" 1
2 1 1 MET O 1 82 LYS N 3.000 2.500 3.500 3.004 2.812 3.495 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 2 ALA MB 3.170 . 3.170 2.425 2.267 2.679 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA HA 1 3 TYR H 2.950 . 2.950 2.356 2.105 2.679 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA HA 1 3 TYR QD 3.930 . 3.930 3.550 3.188 3.977 0.047 4 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 81 GLN HA 4.690 . 4.690 1.999 1.919 2.134 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA HA 1 82 LYS H 4.200 . 4.200 2.548 2.168 2.935 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 3 TYR H 3.420 . 3.420 2.361 2.017 2.731 . 0 0 "[ . 1 . 2]" 1
9 1 2 ALA MB 1 3 TYR QD 4.490 . 4.490 4.067 3.782 4.295 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA MB 1 79 THR HB 5.500 . 5.500 4.518 4.204 4.981 . 0 0 "[ . 1 . 2]" 1
11 1 2 ALA MB 1 79 THR MG 3.300 . 3.300 2.237 1.987 2.681 . 0 0 "[ . 1 . 2]" 1
12 1 2 ALA MB 1 80 LEU H 4.370 . 4.370 3.338 3.134 3.589 . 0 0 "[ . 1 . 2]" 1
13 1 2 ALA MB 1 80 LEU MD2 3.940 . 3.940 4.156 4.098 4.254 0.314 7 0 "[ . 1 . 2]" 1
14 1 2 ALA MB 1 81 GLN HA 3.950 . 3.950 2.303 2.077 2.822 . 0 0 "[ . 1 . 2]" 1
15 1 2 ALA MB 1 81 GLN QB 3.520 . 3.520 3.652 3.586 3.758 0.238 11 0 "[ . 1 . 2]" 1
16 1 2 ALA MB 1 81 GLN QG 3.980 . 3.980 2.562 1.943 3.511 . 0 0 "[ . 1 . 2]" 1
17 1 3 TYR H 1 3 TYR QD 3.540 . 3.540 2.222 1.975 2.534 . 0 0 "[ . 1 . 2]" 1
18 1 3 TYR H 1 79 THR MG 4.290 . 4.290 3.550 3.233 3.850 . 0 0 "[ . 1 . 2]" 1
19 1 3 TYR H 1 80 LEU H 3.850 . 3.850 3.240 3.034 3.421 . 0 0 "[ . 1 . 2]" 1
20 1 3 TYR H 1 80 LEU MD2 4.380 . 4.380 3.424 3.123 3.790 . 0 0 "[ . 1 . 2]" 1
21 1 3 TYR H 1 80 LEU O 2.100 . 2.600 2.017 1.867 2.200 . 0 0 "[ . 1 . 2]" 1
22 1 3 TYR H 1 81 GLN HA 3.740 . 3.740 3.491 3.279 3.707 . 0 0 "[ . 1 . 2]" 1
23 1 3 TYR HA 1 3 TYR QD 3.480 . 3.480 3.680 3.623 3.704 0.224 2 0 "[ . 1 . 2]" 1
24 1 3 TYR HA 1 4 SER H 2.940 . 2.940 2.293 2.144 2.431 . 0 0 "[ . 1 . 2]" 1
25 1 3 TYR QB 1 4 SER H 3.310 . 3.310 2.654 2.364 3.091 . 0 0 "[ . 1 . 2]" 1
26 1 3 TYR QB 1 5 VAL MG1 4.220 . 4.220 4.356 4.253 4.440 0.220 12 0 "[ . 1 . 2]" 1
27 1 3 TYR QB 1 80 LEU MD2 4.680 . 4.680 4.435 4.078 4.731 0.051 8 0 "[ . 1 . 2]" 1
28 1 3 TYR QD 1 4 SER H 3.900 . 3.900 3.588 3.073 3.870 . 0 0 "[ . 1 . 2]" 1
29 1 3 TYR QD 1 5 VAL HB 4.540 . 4.540 3.821 3.406 4.434 . 0 0 "[ . 1 . 2]" 1
30 1 3 TYR QD 1 5 VAL MG1 3.340 . 3.340 3.081 2.851 3.363 0.023 11 0 "[ . 1 . 2]" 1
31 1 3 TYR QD 1 80 LEU QB 4.780 . 4.780 4.871 4.801 4.922 0.142 14 0 "[ . 1 . 2]" 1
32 1 3 TYR QD 1 80 LEU MD1 4.230 . 4.230 4.386 4.312 4.465 0.235 2 0 "[ . 1 . 2]" 1
33 1 3 TYR QD 1 80 LEU MD2 3.750 . 3.750 2.907 2.536 3.178 . 0 0 "[ . 1 . 2]" 1
34 1 3 TYR QD 1 80 LEU HG 4.760 . 4.760 3.240 3.133 3.316 . 0 0 "[ . 1 . 2]" 1
35 1 3 TYR QD 1 82 LYS H 4.250 . 4.250 4.197 3.694 4.532 0.282 7 0 "[ . 1 . 2]" 1
36 1 3 TYR QD 1 82 LYS QD 3.760 . 3.760 2.533 2.200 3.041 . 0 0 "[ . 1 . 2]" 1
37 1 3 TYR QE 1 5 VAL HB 4.400 . 4.400 3.838 3.298 4.481 0.081 5 0 "[ . 1 . 2]" 1
38 1 3 TYR QE 1 5 VAL MG1 3.300 . 3.300 2.427 2.039 2.990 . 0 0 "[ . 1 . 2]" 1
39 1 3 TYR QE 1 80 LEU QB 4.280 . 4.280 4.310 4.169 4.408 0.128 20 0 "[ . 1 . 2]" 1
40 1 3 TYR QE 1 80 LEU MD1 3.790 . 3.790 2.729 2.613 2.860 . 0 0 "[ . 1 . 2]" 1
41 1 3 TYR QE 1 80 LEU MD2 3.130 . 3.130 2.422 2.103 2.742 . 0 0 "[ . 1 . 2]" 1
42 1 3 TYR QE 1 80 LEU HG 4.380 . 4.380 2.396 2.214 2.560 . 0 0 "[ . 1 . 2]" 1
43 1 3 TYR QE 1 82 LYS QD 3.640 . 3.640 3.224 2.280 3.757 0.117 16 0 "[ . 1 . 2]" 1
44 1 3 TYR N 1 80 LEU O 3.000 2.500 3.500 2.959 2.818 3.124 . 0 0 "[ . 1 . 2]" 1
45 1 3 TYR O 1 80 LEU H 2.100 . 2.600 2.464 2.294 2.622 0.022 7 0 "[ . 1 . 2]" 1
46 1 3 TYR O 1 80 LEU N 3.000 2.500 3.500 3.286 3.112 3.508 0.008 7 0 "[ . 1 . 2]" 1
47 1 4 SER H 1 4 SER QB 3.610 . 3.610 2.846 2.557 3.233 . 0 0 "[ . 1 . 2]" 1
48 1 4 SER H 1 5 VAL MG1 4.330 . 4.330 4.355 4.077 4.425 0.095 19 0 "[ . 1 . 2]" 1
49 1 4 SER HA 1 5 VAL H 2.890 . 2.890 2.201 2.142 2.238 . 0 0 "[ . 1 . 2]" 1
50 1 4 SER HA 1 5 VAL MG1 4.420 . 4.420 3.452 3.161 3.613 . 0 0 "[ . 1 . 2]" 1
51 1 4 SER HA 1 79 THR H 4.740 . 4.740 4.804 4.740 4.856 0.116 8 0 "[ . 1 . 2]" 1
52 1 4 SER HA 1 79 THR MG 4.470 . 4.470 3.389 3.000 3.822 . 0 0 "[ . 1 . 2]" 1
53 1 4 SER HA 1 80 LEU H 4.090 . 4.090 3.992 3.689 4.149 0.059 20 0 "[ . 1 . 2]" 1
54 1 4 SER HA 1 80 LEU MD2 4.140 . 4.140 3.904 3.414 4.130 . 0 0 "[ . 1 . 2]" 1
55 1 4 SER QB 1 5 VAL H 4.370 . 4.370 3.237 2.682 3.845 . 0 0 "[ . 1 . 2]" 1
56 1 5 VAL H 1 5 VAL HB 3.570 . 3.570 3.585 3.431 3.656 0.086 12 0 "[ . 1 . 2]" 1
57 1 5 VAL H 1 5 VAL MG1 3.630 . 3.630 2.421 2.267 2.526 . 0 0 "[ . 1 . 2]" 1
58 1 5 VAL H 1 78 LEU H 3.960 . 3.960 3.128 2.908 3.301 . 0 0 "[ . 1 . 2]" 1
59 1 5 VAL H 1 78 LEU HB2 4.320 . 4.320 3.638 3.166 4.095 . 0 0 "[ . 1 . 2]" 1
60 1 5 VAL H 1 78 LEU O 2.100 . 2.600 2.222 1.973 2.452 . 0 0 "[ . 1 . 2]" 1
61 1 5 VAL HA 1 5 VAL MG1 3.440 . 3.440 3.193 3.137 3.225 . 0 0 "[ . 1 . 2]" 1
62 1 5 VAL HA 1 6 THR H 3.040 . 3.040 2.113 2.045 2.216 . 0 0 "[ . 1 . 2]" 1
63 1 5 VAL HB 1 6 THR H 4.220 . 4.220 3.854 3.674 4.031 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL HB 1 43 LEU MD1 3.940 . 3.940 4.126 4.038 4.320 0.380 20 0 "[ . 1 . 2]" 1
65 1 5 VAL MG1 1 42 GLN H 4.850 . 4.850 4.989 4.825 5.064 0.214 5 0 "[ . 1 . 2]" 1
66 1 5 VAL MG1 1 43 LEU H 4.150 . 4.150 4.100 3.032 4.281 0.131 8 0 "[ . 1 . 2]" 1
67 1 5 VAL MG2 1 6 THR HB 4.120 . 4.120 4.229 4.147 4.435 0.315 14 0 "[ . 1 . 2]" 1
68 1 5 VAL MG2 1 43 LEU MD1 2.910 . 2.910 2.484 2.086 2.917 0.007 3 0 "[ . 1 . 2]" 1
69 1 5 VAL N 1 78 LEU O 3.000 2.500 3.500 3.144 2.935 3.351 . 0 0 "[ . 1 . 2]" 1
70 1 6 THR H 1 6 THR HB 3.730 . 3.730 2.660 2.380 3.535 . 0 0 "[ . 1 . 2]" 1
71 1 6 THR H 1 6 THR MG 4.640 . 4.640 3.721 2.927 3.882 . 0 0 "[ . 1 . 2]" 1
72 1 6 THR HA 1 6 THR MG 3.470 . 3.470 2.311 2.097 2.470 . 0 0 "[ . 1 . 2]" 1
73 1 6 THR HA 1 7 LEU H 3.040 . 3.040 2.183 2.135 2.299 . 0 0 "[ . 1 . 2]" 1
74 1 6 THR HA 1 7 LEU QB 4.700 . 4.700 3.974 3.802 4.768 0.068 1 0 "[ . 1 . 2]" 1
75 1 6 THR HA 1 76 LEU H 4.600 . 4.600 3.965 3.458 4.426 . 0 0 "[ . 1 . 2]" 1
76 1 6 THR HA 1 77 SER HA 3.950 . 3.950 2.194 2.003 2.477 . 0 0 "[ . 1 . 2]" 1
77 1 6 THR HA 1 78 LEU H 4.150 . 4.150 3.519 3.181 3.856 . 0 0 "[ . 1 . 2]" 1
78 1 6 THR MG 1 7 LEU H 3.750 . 3.750 2.926 2.459 3.681 . 0 0 "[ . 1 . 2]" 1
79 1 6 THR MG 1 75 ASN HB2 3.770 . 3.770 2.390 1.900 3.412 . 0 0 "[ . 1 . 2]" 1
80 1 6 THR MG 1 75 ASN HB3 3.870 . 3.870 3.306 2.385 4.057 0.187 11 0 "[ . 1 . 2]" 1
81 1 6 THR MG 1 75 ASN HD22 4.370 . 4.370 4.127 2.657 4.613 0.243 17 0 "[ . 1 . 2]" 1
82 1 6 THR MG 1 76 LEU H 4.090 . 4.090 2.841 2.088 3.886 . 0 0 "[ . 1 . 2]" 1
83 1 6 THR MG 1 76 LEU HA 4.390 . 4.390 4.204 4.001 4.439 0.049 14 0 "[ . 1 . 2]" 1
84 1 6 THR MG 1 77 SER HA 4.370 . 4.370 3.093 2.575 3.888 . 0 0 "[ . 1 . 2]" 1
85 1 7 LEU H 1 7 LEU QB 3.550 . 3.550 2.299 2.138 3.310 . 0 0 "[ . 1 . 2]" 1
86 1 7 LEU H 1 7 LEU MD2 4.460 . 4.460 4.238 4.095 4.338 . 0 0 "[ . 1 . 2]" 1
87 1 7 LEU H 1 7 LEU HG 4.450 . 4.450 4.376 3.082 4.524 0.074 2 0 "[ . 1 . 2]" 1
88 1 7 LEU H 1 76 LEU H 3.970 . 3.970 2.814 2.589 3.063 . 0 0 "[ . 1 . 2]" 1
89 1 7 LEU H 1 76 LEU HB2 4.510 . 4.510 4.577 4.499 4.739 0.229 18 0 "[ . 1 . 2]" 1
90 1 7 LEU H 1 77 SER HA 4.170 . 4.170 3.566 3.388 3.855 . 0 0 "[ . 1 . 2]" 1
91 1 7 LEU HA 1 8 THR H 3.190 . 3.190 2.258 2.181 2.381 . 0 0 "[ . 1 . 2]" 1
92 1 7 LEU QB 1 13 TRP HZ3 4.750 . 4.750 4.121 2.559 4.896 0.146 14 0 "[ . 1 . 2]" 1
93 1 7 LEU QB 1 76 LEU H 4.650 . 4.650 3.625 3.236 4.807 0.157 1 0 "[ . 1 . 2]" 1
94 1 7 LEU MD2 1 13 TRP HB2 4.030 . 4.030 4.059 3.743 4.233 0.203 1 0 "[ . 1 . 2]" 1
95 1 7 LEU MD2 1 13 TRP HB3 4.810 . 4.810 2.780 2.448 3.084 . 0 0 "[ . 1 . 2]" 1
96 1 7 LEU MD2 1 76 LEU MD2 4.010 . 4.010 2.574 2.004 3.664 . 0 0 "[ . 1 . 2]" 1
97 1 7 LEU HG 1 13 TRP HE3 4.420 . 4.420 3.471 2.587 4.498 0.078 1 0 "[ . 1 . 2]" 1
98 1 7 LEU HG 1 13 TRP HZ3 4.970 . 4.970 2.857 2.232 5.023 0.053 1 0 "[ . 1 . 2]" 1
99 1 8 THR H 1 8 THR HB 3.860 . 3.860 3.160 2.536 3.822 . 0 0 "[ . 1 . 2]" 1
100 1 8 THR H 1 8 THR MG 3.950 . 3.950 2.670 2.095 3.895 . 0 0 "[ . 1 . 2]" 1
101 1 8 THR HA 1 8 THR MG 3.560 . 3.560 2.857 2.222 3.262 . 0 0 "[ . 1 . 2]" 1
102 1 8 THR HA 1 9 GLY H 3.060 . 3.060 2.332 2.005 3.156 0.096 2 0 "[ . 1 . 2]" 1
103 1 8 THR HB 1 9 GLY H 4.630 . 4.630 3.732 2.606 4.492 . 0 0 "[ . 1 . 2]" 1
104 1 8 THR MG 1 9 GLY H 3.840 . 3.840 3.389 2.465 3.865 0.025 8 0 "[ . 1 . 2]" 1
105 1 9 GLY H 1 13 TRP HH2 4.520 . 4.520 2.903 2.331 4.207 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLY HA3 1 13 TRP HH2 4.140 . 4.140 3.617 2.544 4.173 0.033 12 0 "[ . 1 . 2]" 1
107 1 10 PRO HA 1 11 GLY H 3.540 . 3.540 2.718 2.076 3.593 0.053 13 0 "[ . 1 . 2]" 1
108 1 10 PRO HB2 1 11 GLY H 4.170 . 4.170 3.389 2.021 4.300 0.130 6 0 "[ . 1 . 2]" 1
109 1 10 PRO HB3 1 11 GLY H 4.030 . 4.030 3.937 3.441 4.236 0.206 19 0 "[ . 1 . 2]" 1
110 1 13 TRP HB2 1 15 PHE QD 4.090 . 4.090 2.508 2.096 4.119 0.029 18 0 "[ . 1 . 2]" 1
111 1 13 TRP HB2 1 45 GLN HE22 3.780 . 3.780 4.008 3.850 4.168 0.388 17 0 "[ . 1 . 2]" 1
112 1 13 TRP HB3 1 13 TRP HD1 3.640 . 3.640 3.640 3.239 3.730 0.090 18 0 "[ . 1 . 2]" 1
113 1 13 TRP HB3 1 15 PHE H 4.600 . 4.600 4.767 4.676 4.901 0.301 7 0 "[ . 1 . 2]" 1
114 1 13 TRP HB3 1 15 PHE QD 4.140 . 4.140 3.096 2.787 4.053 . 0 0 "[ . 1 . 2]" 1
115 1 13 TRP HB3 1 45 GLN HE22 3.940 . 3.940 4.151 4.084 4.256 0.316 6 0 "[ . 1 . 2]" 1
116 1 13 TRP HD1 1 69 ILE HB 4.460 . 4.460 4.457 4.294 4.554 0.094 17 0 "[ . 1 . 2]" 1
117 1 13 TRP HD1 1 69 ILE MD 4.470 . 4.470 4.088 2.455 4.589 0.119 15 0 "[ . 1 . 2]" 1
118 1 13 TRP HD1 1 69 ILE MG 3.300 . 3.300 1.932 1.847 2.020 . 0 0 "[ . 1 . 2]" 1
119 1 13 TRP HD1 1 76 LEU MD1 4.890 . 4.890 4.987 4.653 5.132 0.242 2 0 "[ . 1 . 2]" 1
120 1 13 TRP HD1 1 76 LEU MD2 4.400 . 4.400 3.274 2.653 3.458 . 0 0 "[ . 1 . 2]" 1
121 1 13 TRP HE1 1 69 ILE MG 4.540 . 4.540 2.556 2.164 3.464 . 0 0 "[ . 1 . 2]" 1
122 1 13 TRP HE1 1 72 ALA MB 4.510 . 4.510 3.517 2.584 3.965 . 0 0 "[ . 1 . 2]" 1
123 1 13 TRP HE1 1 76 LEU MD2 4.670 . 4.670 2.506 1.751 2.828 0.049 14 0 "[ . 1 . 2]" 1
124 1 13 TRP HE3 1 37 LYS HB3 4.460 . 4.460 3.075 2.319 3.877 . 0 0 "[ . 1 . 2]" 1
125 1 13 TRP HE3 1 37 LYS QD 4.550 . 4.550 3.764 2.399 4.691 0.141 16 0 "[ . 1 . 2]" 1
126 1 13 TRP HH2 1 73 SER QB 3.990 . 3.990 4.074 3.992 4.205 0.215 18 0 "[ . 1 . 2]" 1
127 1 13 TRP HZ2 1 72 ALA MB 3.510 . 3.510 3.295 2.334 3.618 0.108 4 0 "[ . 1 . 2]" 1
128 1 13 TRP HZ2 1 73 SER QB 4.290 . 4.290 3.918 3.622 4.332 0.042 18 0 "[ . 1 . 2]" 1
129 1 13 TRP HZ2 1 76 LEU HB2 4.720 . 4.720 3.291 2.939 3.648 . 0 0 "[ . 1 . 2]" 1
130 1 13 TRP HZ2 1 76 LEU HB3 4.270 . 4.270 4.194 3.788 4.364 0.094 11 0 "[ . 1 . 2]" 1
131 1 13 TRP HZ2 1 76 LEU MD1 4.730 . 4.730 4.463 3.987 4.819 0.089 14 0 "[ . 1 . 2]" 1
132 1 13 TRP HZ2 1 76 LEU MD2 4.580 . 4.580 3.327 2.798 3.870 . 0 0 "[ . 1 . 2]" 1
133 1 14 GLY O 1 33 THR H 2.100 . 2.600 1.855 1.711 2.311 . 0 0 "[ . 1 . 2]" 1
134 1 14 GLY O 1 33 THR N 3.000 2.500 3.500 2.822 2.704 3.171 . 0 0 "[ . 1 . 2]" 1
135 1 15 PHE H 1 38 ALA MB 4.540 . 4.540 3.775 3.146 4.083 . 0 0 "[ . 1 . 2]" 1
136 1 15 PHE HA 1 15 PHE QD 4.230 . 4.230 3.696 3.625 3.719 . 0 0 "[ . 1 . 2]" 1
137 1 15 PHE HA 1 16 ARG H 3.230 . 3.230 2.342 2.226 2.543 . 0 0 "[ . 1 . 2]" 1
138 1 15 PHE HA 1 16 ARG HA 3.940 . 3.940 4.199 4.151 4.249 0.309 20 0 "[ . 1 . 2]" 1
139 1 15 PHE HA 1 32 ILE HG13 4.580 . 4.580 4.266 3.683 4.607 0.027 17 0 "[ . 1 . 2]" 1
140 1 15 PHE HA 1 32 ILE MG 4.800 . 4.800 4.238 3.977 4.484 . 0 0 "[ . 1 . 2]" 1
141 1 15 PHE HA 1 33 THR H 4.180 . 4.180 3.085 2.669 3.519 . 0 0 "[ . 1 . 2]" 1
142 1 15 PHE HA 1 38 ALA MB 4.540 . 4.540 3.724 3.417 3.995 . 0 0 "[ . 1 . 2]" 1
143 1 15 PHE HB2 1 16 ARG H 3.510 . 3.510 2.628 2.117 2.813 . 0 0 "[ . 1 . 2]" 1
144 1 15 PHE HB2 1 17 LEU MD1 4.340 . 4.340 4.314 3.994 4.527 0.187 20 0 "[ . 1 . 2]" 1
145 1 15 PHE HB2 1 29 ILE MD 4.460 . 4.460 3.263 2.502 3.658 . 0 0 "[ . 1 . 2]" 1
146 1 15 PHE HB2 1 29 ILE MG 3.530 . 3.530 2.252 2.087 2.542 . 0 0 "[ . 1 . 2]" 1
147 1 15 PHE HB2 1 32 ILE MD 4.260 . 4.260 3.427 2.716 4.042 . 0 0 "[ . 1 . 2]" 1
148 1 15 PHE HB2 1 32 ILE MG 5.500 . 5.500 5.466 5.331 5.590 0.090 18 0 "[ . 1 . 2]" 1
149 1 15 PHE HB2 1 38 ALA MB 4.300 . 4.300 4.159 3.956 4.398 0.098 7 0 "[ . 1 . 2]" 1
150 1 15 PHE HB2 1 43 LEU MD2 4.640 . 4.640 4.863 4.724 4.990 0.350 2 0 "[ . 1 . 2]" 1
151 1 15 PHE HB3 1 16 ARG H 3.940 . 3.940 3.864 3.364 3.986 0.046 2 0 "[ . 1 . 2]" 1
152 1 15 PHE HB3 1 29 ILE MD 4.140 . 4.140 4.227 3.643 4.466 0.326 19 0 "[ . 1 . 2]" 1
153 1 15 PHE HB3 1 32 ILE MD 4.010 . 4.010 3.361 2.345 4.114 0.104 2 0 "[ . 1 . 2]" 1
154 1 15 PHE HB3 1 32 ILE HG13 3.810 . 3.810 3.603 3.162 3.857 0.047 13 0 "[ . 1 . 2]" 1
155 1 15 PHE HB3 1 32 ILE MG 4.410 . 4.410 4.561 4.398 4.644 0.234 20 0 "[ . 1 . 2]" 1
156 1 15 PHE HB3 1 38 ALA MB 3.590 . 3.590 2.781 2.551 2.980 . 0 0 "[ . 1 . 2]" 1
157 1 15 PHE HB3 1 43 LEU MD2 3.760 . 3.760 3.780 3.643 3.890 0.130 2 0 "[ . 1 . 2]" 1
158 1 15 PHE QD 1 16 ARG H 4.280 . 4.280 3.562 3.171 3.783 . 0 0 "[ . 1 . 2]" 1
159 1 15 PHE QD 1 17 LEU MD1 3.470 . 3.470 2.557 2.072 3.063 . 0 0 "[ . 1 . 2]" 1
160 1 15 PHE QD 1 17 LEU MD2 3.720 . 3.720 3.302 2.134 3.913 0.193 2 0 "[ . 1 . 2]" 1
161 1 15 PHE QD 1 17 LEU HG 4.080 . 4.080 3.235 2.570 4.370 0.290 3 0 "[ . 1 . 2]" 1
162 1 15 PHE QD 1 29 ILE HA 4.440 . 4.440 4.378 3.959 4.603 0.163 19 0 "[ . 1 . 2]" 1
163 1 15 PHE QD 1 29 ILE MD 3.730 . 3.730 2.244 2.067 2.530 . 0 0 "[ . 1 . 2]" 1
164 1 15 PHE QD 1 38 ALA MB 3.200 . 3.200 3.079 2.230 3.267 0.067 5 0 "[ . 1 . 2]" 1
165 1 15 PHE QD 1 43 LEU MD2 3.920 . 3.920 3.816 2.615 4.119 0.199 20 0 "[ . 1 . 2]" 1
166 1 16 ARG H 1 16 ARG HB3 3.550 . 3.550 3.445 2.517 3.645 0.095 18 0 "[ . 1 . 2]" 1
167 1 16 ARG H 1 16 ARG HD3 4.600 . 4.600 4.211 2.988 4.805 0.205 2 0 "[ . 1 . 2]" 1
168 1 16 ARG H 1 16 ARG QG 4.050 . 4.050 3.336 2.564 4.116 0.066 17 0 "[ . 1 . 2]" 1
169 1 16 ARG H 1 17 LEU HA 4.650 . 4.650 4.791 4.712 4.845 0.195 11 0 "[ . 1 . 2]" 1
170 1 16 ARG H 1 29 ILE MG 3.750 . 3.750 2.902 2.504 3.252 . 0 0 "[ . 1 . 2]" 1
171 1 16 ARG H 1 30 SER H 4.490 . 4.490 3.744 3.366 4.050 . 0 0 "[ . 1 . 2]" 1
172 1 16 ARG H 1 31 ARG H 3.700 . 3.700 2.958 2.758 3.271 . 0 0 "[ . 1 . 2]" 1
173 1 16 ARG HB2 1 16 ARG HD3 4.070 . 4.070 3.310 2.493 3.907 . 0 0 "[ . 1 . 2]" 1
174 1 16 ARG HB2 1 17 LEU H 4.540 . 4.540 4.362 4.031 4.588 0.048 17 0 "[ . 1 . 2]" 1
175 1 16 ARG HB2 1 18 GLN QG 4.860 . 4.860 4.671 4.349 5.066 0.206 17 0 "[ . 1 . 2]" 1
176 1 16 ARG HB2 1 31 ARG H 4.520 . 4.520 2.132 1.765 3.384 0.035 7 0 "[ . 1 . 2]" 1
177 1 16 ARG HB3 1 18 GLN QG 3.430 . 3.430 3.528 2.967 3.637 0.207 5 0 "[ . 1 . 2]" 1
178 1 16 ARG HB3 1 30 SER H 4.920 . 4.920 4.033 3.128 4.596 . 0 0 "[ . 1 . 2]" 1
179 1 16 ARG HB3 1 31 ARG H 3.900 . 3.900 3.212 1.980 3.786 . 0 0 "[ . 1 . 2]" 1
180 1 16 ARG QG 1 31 ARG H 3.630 . 3.630 3.661 3.416 3.809 0.179 9 0 "[ . 1 . 2]" 1
181 1 17 LEU H 1 17 LEU HB2 4.030 . 4.030 2.469 2.293 2.677 . 0 0 "[ . 1 . 2]" 1
182 1 17 LEU H 1 17 LEU HG 4.400 . 4.400 3.742 3.393 4.138 . 0 0 "[ . 1 . 2]" 1
183 1 17 LEU HA 1 17 LEU MD1 3.110 . 3.110 2.842 2.085 3.290 0.180 4 0 "[ . 1 . 2]" 1
184 1 17 LEU HA 1 17 LEU MD2 4.740 . 4.740 3.428 3.031 3.721 . 0 0 "[ . 1 . 2]" 1
185 1 17 LEU HA 1 18 GLN H 2.970 . 2.970 2.238 2.113 2.319 . 0 0 "[ . 1 . 2]" 1
186 1 17 LEU HA 1 29 ILE HA 4.420 . 4.420 2.630 2.289 3.081 . 0 0 "[ . 1 . 2]" 1
187 1 17 LEU HA 1 30 SER H 3.580 . 3.580 3.244 2.783 3.579 . 0 0 "[ . 1 . 2]" 1
188 1 17 LEU HB2 1 17 LEU MD1 3.120 . 3.120 2.544 2.085 3.246 0.126 19 0 "[ . 1 . 2]" 1
189 1 17 LEU HB2 1 17 LEU MD2 2.970 . 2.970 2.509 2.225 2.721 . 0 0 "[ . 1 . 2]" 1
190 1 17 LEU HB2 1 18 GLN H 4.350 . 4.350 4.267 3.982 4.402 0.052 13 0 "[ . 1 . 2]" 1
191 1 17 LEU HB2 1 66 GLN HE22 4.380 . 4.380 4.308 2.979 4.568 0.188 13 0 "[ . 1 . 2]" 1
192 1 17 LEU HB3 1 17 LEU MD1 3.080 . 3.080 2.894 2.290 3.222 0.142 18 0 "[ . 1 . 2]" 1
193 1 17 LEU HB3 1 17 LEU MD2 3.410 . 3.410 2.578 2.172 3.290 . 0 0 "[ . 1 . 2]" 1
194 1 17 LEU HB3 1 18 GLN H 3.780 . 3.780 3.261 2.828 3.492 . 0 0 "[ . 1 . 2]" 1
195 1 17 LEU MD1 1 18 GLN H 4.950 . 4.950 4.459 3.308 5.056 0.106 1 0 "[ . 1 . 2]" 1
196 1 17 LEU MD1 1 66 GLN HE21 3.780 . 3.780 3.038 2.019 3.849 0.069 3 0 "[ . 1 . 2]" 1
197 1 17 LEU MD1 1 66 GLN HE22 4.660 . 4.660 3.067 1.982 4.690 0.030 10 0 "[ . 1 . 2]" 1
198 1 17 LEU MD2 1 66 GLN HA 4.010 . 4.010 3.156 2.364 4.346 0.336 17 0 "[ . 1 . 2]" 1
199 1 17 LEU MD2 1 66 GLN HE21 4.200 . 4.200 2.700 1.855 4.217 0.017 4 0 "[ . 1 . 2]" 1
200 1 18 GLN H 1 18 GLN QB 3.830 . 3.830 2.723 2.567 2.884 . 0 0 "[ . 1 . 2]" 1
201 1 18 GLN H 1 18 GLN QG 3.820 . 3.820 3.335 3.019 3.488 . 0 0 "[ . 1 . 2]" 1
202 1 18 GLN H 1 28 THR O 2.100 . 2.600 2.577 2.251 2.759 0.159 1 0 "[ . 1 . 2]" 1
203 1 18 GLN H 1 29 ILE HA 4.690 . 4.690 2.902 2.647 3.159 . 0 0 "[ . 1 . 2]" 1
204 1 18 GLN H 1 30 SER H 4.470 . 4.470 3.706 3.108 3.955 . 0 0 "[ . 1 . 2]" 1
205 1 18 GLN H 1 30 SER HB2 4.720 . 4.720 4.266 3.394 4.838 0.118 1 0 "[ . 1 . 2]" 1
206 1 18 GLN H 1 30 SER HB3 4.750 . 4.750 4.643 3.135 4.930 0.180 16 0 "[ . 1 . 2]" 1
207 1 18 GLN HA 1 18 GLN QG 3.010 . 3.010 2.480 2.259 2.998 . 0 0 "[ . 1 . 2]" 1
208 1 18 GLN HA 1 19 GLY H 2.920 . 2.920 2.220 2.074 2.579 . 0 0 "[ . 1 . 2]" 1
209 1 18 GLN QB 1 18 GLN HE22 5.020 . 5.020 3.681 3.256 4.250 . 0 0 "[ . 1 . 2]" 1
210 1 18 GLN QB 1 19 GLY H 3.740 . 3.740 2.931 2.232 3.394 . 0 0 "[ . 1 . 2]" 1
211 1 18 GLN QB 1 30 SER HB3 3.780 . 3.780 3.753 2.144 3.922 0.142 9 0 "[ . 1 . 2]" 1
212 1 18 GLN QG 1 19 GLY H 4.160 . 4.160 4.074 3.863 4.400 0.240 7 0 "[ . 1 . 2]" 1
213 1 18 GLN QG 1 30 SER H 4.670 . 4.670 4.126 3.449 4.646 . 0 0 "[ . 1 . 2]" 1
214 1 18 GLN N 1 28 THR O 3.000 2.500 3.500 3.508 3.239 3.604 0.104 18 0 "[ . 1 . 2]" 1
215 1 19 GLY HA2 1 20 GLY H 3.290 . 3.290 2.735 2.167 3.202 . 0 0 "[ . 1 . 2]" 1
216 1 19 GLY HA3 1 20 GLY H 3.540 . 3.540 2.497 2.155 3.139 . 0 0 "[ . 1 . 2]" 1
217 1 19 GLY HA3 1 20 GLY HA2 4.220 . 4.220 4.209 4.057 4.285 0.065 1 0 "[ . 1 . 2]" 1
218 1 19 GLY HA3 1 25 MET HB2 4.400 . 4.400 3.889 3.205 4.425 0.025 9 0 "[ . 1 . 2]" 1
219 1 19 GLY HA3 1 25 MET HB3 3.230 . 3.230 3.199 2.788 3.309 0.079 7 0 "[ . 1 . 2]" 1
220 1 19 GLY HA3 1 25 MET QG 3.740 . 3.740 3.430 2.416 3.912 0.172 14 0 "[ . 1 . 2]" 1
221 1 20 GLY H 1 21 LYS H 4.450 . 4.450 4.297 4.142 4.492 0.042 4 0 "[ . 1 . 2]" 1
222 1 20 GLY H 1 25 MET H 4.080 . 4.080 3.720 3.173 4.113 0.033 17 0 "[ . 1 . 2]" 1
223 1 20 GLY H 1 25 MET HB2 4.830 . 4.830 2.706 2.021 4.137 . 0 0 "[ . 1 . 2]" 1
224 1 20 GLY H 1 25 MET HB3 4.230 . 4.230 2.343 1.793 3.813 0.007 1 0 "[ . 1 . 2]" 1
225 1 20 GLY H 1 25 MET QG 4.200 . 4.200 3.547 2.894 3.878 . 0 0 "[ . 1 . 2]" 1
226 1 20 GLY HA2 1 21 LYS H 3.550 . 3.550 2.468 2.244 2.712 . 0 0 "[ . 1 . 2]" 1
227 1 20 GLY HA2 1 25 MET HB3 3.780 . 3.780 3.860 3.683 4.009 0.229 5 0 "[ . 1 . 2]" 1
228 1 20 GLY HA2 1 62 HIS H 4.260 . 4.260 4.361 4.275 4.451 0.191 11 0 "[ . 1 . 2]" 1
229 1 20 GLY HA3 1 21 LYS H 3.280 . 3.280 2.714 2.468 2.892 . 0 0 "[ . 1 . 2]" 1
230 1 21 LYS H 1 21 LYS HB2 3.450 . 3.450 2.034 1.928 2.105 . 0 0 "[ . 1 . 2]" 1
231 1 21 LYS H 1 21 LYS HB3 4.130 . 4.130 3.029 2.689 3.396 . 0 0 "[ . 1 . 2]" 1
232 1 21 LYS H 1 21 LYS HD2 3.360 . 3.360 3.276 2.554 3.589 0.229 16 0 "[ . 1 . 2]" 1
233 1 21 LYS H 1 21 LYS QG 4.010 . 4.010 3.883 3.620 3.979 . 0 0 "[ . 1 . 2]" 1
234 1 21 LYS H 1 22 ASP H 3.910 . 3.910 2.980 2.750 3.151 . 0 0 "[ . 1 . 2]" 1
235 1 21 LYS H 1 62 HIS H 4.550 . 4.550 4.061 3.280 4.607 0.057 16 0 "[ . 1 . 2]" 1
236 1 21 LYS HA 1 21 LYS HD2 4.170 . 4.170 2.357 2.052 3.463 . 0 0 "[ . 1 . 2]" 1
237 1 21 LYS HA 1 23 PHE H 4.350 . 4.350 3.911 3.636 4.316 . 0 0 "[ . 1 . 2]" 1
238 1 21 LYS HA 1 24 ASN H 4.380 . 4.380 3.323 2.538 3.682 . 0 0 "[ . 1 . 2]" 1
239 1 21 LYS HA 1 25 MET H 4.110 . 4.110 3.025 2.421 3.741 . 0 0 "[ . 1 . 2]" 1
240 1 21 LYS HB2 1 21 LYS HD2 2.710 . 2.710 2.555 2.283 2.776 0.066 10 0 "[ . 1 . 2]" 1
241 1 21 LYS HB2 1 22 ASP H 4.220 . 4.220 3.744 3.123 4.137 . 0 0 "[ . 1 . 2]" 1
242 1 21 LYS HB3 1 22 ASP H 4.600 . 4.600 3.115 2.570 3.647 . 0 0 "[ . 1 . 2]" 1
243 1 22 ASP H 1 22 ASP HB2 3.970 . 3.970 2.499 2.009 3.602 . 0 0 "[ . 1 . 2]" 1
244 1 22 ASP H 1 23 PHE H 3.420 . 3.420 2.744 2.434 3.041 . 0 0 "[ . 1 . 2]" 1
245 1 22 ASP H 1 23 PHE QD 4.680 . 4.680 4.348 3.444 4.721 0.041 6 0 "[ . 1 . 2]" 1
246 1 22 ASP H 1 61 THR HA 3.590 . 3.590 3.443 2.893 3.747 0.157 18 0 "[ . 1 . 2]" 1
247 1 22 ASP H 1 61 THR MG 3.880 . 3.880 2.907 2.370 3.343 . 0 0 "[ . 1 . 2]" 1
248 1 22 ASP H 1 62 HIS H 4.350 . 4.350 3.938 3.087 4.568 0.218 15 0 "[ . 1 . 2]" 1
249 1 22 ASP HA 1 24 ASN H 4.710 . 4.710 3.875 3.299 4.817 0.107 13 0 "[ . 1 . 2]" 1
250 1 22 ASP HA 1 61 THR MG 4.510 . 4.510 3.774 3.340 4.392 . 0 0 "[ . 1 . 2]" 1
251 1 22 ASP HB2 1 61 THR MG 3.640 . 3.640 2.878 2.174 3.769 0.129 20 0 "[ . 1 . 2]" 1
252 1 22 ASP HB3 1 61 THR MG 4.140 . 4.140 3.668 2.275 4.213 0.073 5 0 "[ . 1 . 2]" 1
253 1 23 PHE H 1 23 PHE HB2 3.930 . 3.930 2.262 2.140 2.419 . 0 0 "[ . 1 . 2]" 1
254 1 23 PHE H 1 23 PHE HB3 3.440 . 3.440 3.498 3.323 3.574 0.134 18 0 "[ . 1 . 2]" 1
255 1 23 PHE H 1 23 PHE QD 3.950 . 3.950 2.814 2.316 3.345 . 0 0 "[ . 1 . 2]" 1
256 1 23 PHE H 1 24 ASN H 3.490 . 3.490 2.420 2.175 2.776 . 0 0 "[ . 1 . 2]" 1
257 1 23 PHE H 1 24 ASN HA 4.380 . 4.380 4.401 4.280 4.523 0.143 15 0 "[ . 1 . 2]" 1
258 1 23 PHE H 1 25 MET H 4.330 . 4.330 3.355 3.094 3.662 . 0 0 "[ . 1 . 2]" 1
259 1 23 PHE HA 1 23 PHE QD 3.800 . 3.800 2.769 2.352 3.184 . 0 0 "[ . 1 . 2]" 1
260 1 23 PHE HB2 1 24 ASN H 4.590 . 4.590 3.560 2.242 4.257 . 0 0 "[ . 1 . 2]" 1
261 1 23 PHE HB2 1 25 MET H 4.490 . 4.490 3.409 2.504 4.124 . 0 0 "[ . 1 . 2]" 1
262 1 23 PHE HB3 1 24 ASN H 5.500 . 5.500 4.118 3.342 4.425 . 0 0 "[ . 1 . 2]" 1
263 1 24 ASN H 1 25 MET H 3.950 . 3.950 2.544 1.793 2.867 0.007 19 0 "[ . 1 . 2]" 1
264 1 24 ASN HA 1 25 MET H 3.320 . 3.320 2.845 2.457 3.426 0.106 19 0 "[ . 1 . 2]" 1
265 1 25 MET H 1 25 MET HB2 4.110 . 4.110 2.205 2.018 2.676 . 0 0 "[ . 1 . 2]" 1
266 1 25 MET H 1 25 MET HB3 3.820 . 3.820 3.073 2.213 3.618 . 0 0 "[ . 1 . 2]" 1
267 1 25 MET H 1 25 MET QG 3.860 . 3.860 3.674 2.699 3.974 0.114 9 0 "[ . 1 . 2]" 1
268 1 25 MET H 1 26 PRO HD3 4.860 . 4.860 4.747 4.686 4.826 . 0 0 "[ . 1 . 2]" 1
269 1 25 MET HA 1 26 PRO HD2 3.230 . 3.230 3.105 2.988 3.250 0.020 19 0 "[ . 1 . 2]" 1
270 1 25 MET HA 1 26 PRO HD3 3.290 . 3.290 2.140 2.061 2.270 . 0 0 "[ . 1 . 2]" 1
271 1 25 MET HB2 1 26 PRO HD3 3.960 . 3.960 4.204 4.101 4.267 0.307 1 0 "[ . 1 . 2]" 1
272 1 25 MET HB3 1 26 PRO HD2 4.430 . 4.430 2.562 1.999 3.866 . 0 0 "[ . 1 . 2]" 1
273 1 25 MET HB3 1 26 PRO HD3 4.120 . 4.120 3.428 2.957 4.276 0.156 9 0 "[ . 1 . 2]" 1
274 1 26 PRO HA 1 27 LEU H 2.740 . 2.740 2.464 2.406 2.517 . 0 0 "[ . 1 . 2]" 1
275 1 26 PRO HA 1 28 THR MG 4.270 . 4.270 4.154 4.098 4.219 . 0 0 "[ . 1 . 2]" 1
276 1 26 PRO HB2 1 27 LEU H 3.820 . 3.820 3.111 2.840 3.308 . 0 0 "[ . 1 . 2]" 1
277 1 26 PRO HB2 1 48 LEU MD1 4.110 . 4.110 2.283 1.844 3.557 . 0 0 "[ . 1 . 2]" 1
278 1 26 PRO HB2 1 48 LEU MD2 3.870 . 3.870 3.744 2.178 4.338 0.468 1 0 "[ . 1 . 2]" 1
279 1 26 PRO HB3 1 28 THR MG 3.850 . 3.850 3.958 3.906 4.032 0.182 5 0 "[ . 1 . 2]" 1
280 1 26 PRO HB3 1 48 LEU MD1 3.990 . 3.990 3.379 3.152 3.739 . 0 0 "[ . 1 . 2]" 1
281 1 26 PRO HD2 1 48 LEU MD1 3.870 . 3.870 3.659 3.381 4.180 0.310 19 0 "[ . 1 . 2]" 1
282 1 26 PRO HG3 1 28 THR MG 3.880 . 3.880 3.810 3.520 3.984 0.104 3 0 "[ . 1 . 2]" 1
283 1 26 PRO HG3 1 48 LEU MD1 3.810 . 3.810 2.943 2.166 3.351 . 0 0 "[ . 1 . 2]" 1
284 1 26 PRO HG3 1 48 LEU HG 3.080 . 3.080 3.255 3.179 3.382 0.302 1 0 "[ . 1 . 2]" 1
285 1 27 LEU H 1 27 LEU HB2 3.170 . 3.170 2.064 1.976 2.150 . 0 0 "[ . 1 . 2]" 1
286 1 27 LEU H 1 27 LEU HB3 2.940 . 2.940 2.885 2.572 3.056 0.116 11 0 "[ . 1 . 2]" 1
287 1 27 LEU H 1 27 LEU HG 3.730 . 3.730 3.885 3.754 4.044 0.314 10 0 "[ . 1 . 2]" 1
288 1 27 LEU H 1 28 THR H 4.340 . 4.340 4.306 4.219 4.404 0.064 3 0 "[ . 1 . 2]" 1
289 1 27 LEU H 1 28 THR MG 3.970 . 3.970 3.870 3.696 4.018 0.048 9 0 "[ . 1 . 2]" 1
290 1 27 LEU HA 1 27 LEU MD2 3.080 . 3.080 2.426 2.134 3.028 . 0 0 "[ . 1 . 2]" 1
291 1 27 LEU HA 1 27 LEU HG 3.960 . 3.960 2.312 2.014 2.480 . 0 0 "[ . 1 . 2]" 1
292 1 27 LEU HA 1 28 THR H 2.800 . 2.800 2.174 2.114 2.234 . 0 0 "[ . 1 . 2]" 1
293 1 27 LEU HB2 1 28 THR H 4.580 . 4.580 4.647 4.616 4.681 0.101 17 0 "[ . 1 . 2]" 1
294 1 27 LEU HB2 1 57 THR HG1 4.470 . 4.470 4.064 3.275 4.560 0.090 7 0 "[ . 1 . 2]" 1
295 1 27 LEU MD1 1 57 THR HA 4.660 . 4.660 3.708 2.967 4.405 . 0 0 "[ . 1 . 2]" 1
296 1 27 LEU MD1 1 57 THR HB 3.190 . 3.190 2.110 1.941 2.554 . 0 0 "[ . 1 . 2]" 1
297 1 27 LEU MD1 1 57 THR MG 3.080 . 3.080 2.306 1.889 2.794 . 0 0 "[ . 1 . 2]" 1
298 1 27 LEU MD1 1 65 ALA H 4.010 . 4.010 3.398 3.013 4.042 0.032 7 0 "[ . 1 . 2]" 1
299 1 27 LEU MD1 1 65 ALA MB 2.790 . 2.790 1.951 1.836 2.196 . 0 0 "[ . 1 . 2]" 1
300 1 27 LEU MD2 1 28 THR H 3.740 . 3.740 2.840 2.413 3.348 . 0 0 "[ . 1 . 2]" 1
301 1 27 LEU HG 1 28 THR H 4.350 . 4.350 4.157 3.615 4.387 0.037 19 0 "[ . 1 . 2]" 1
302 1 28 THR H 1 28 THR HB 3.900 . 3.900 3.835 3.760 3.919 0.019 19 0 "[ . 1 . 2]" 1
303 1 28 THR H 1 28 THR MG 3.810 . 3.810 2.355 2.156 2.646 . 0 0 "[ . 1 . 2]" 1
304 1 28 THR HA 1 28 THR MG 3.200 . 3.200 2.454 2.119 2.745 . 0 0 "[ . 1 . 2]" 1
305 1 28 THR HA 1 29 ILE H 3.030 . 3.030 2.168 2.003 2.265 . 0 0 "[ . 1 . 2]" 1
306 1 28 THR HA 1 48 LEU HA 4.410 . 4.410 2.647 2.425 3.303 . 0 0 "[ . 1 . 2]" 1
307 1 28 THR HA 1 48 LEU MD2 4.590 . 4.590 4.736 4.169 4.918 0.328 10 0 "[ . 1 . 2]" 1
308 1 28 THR HA 1 49 VAL H 3.580 . 3.580 3.036 2.732 3.577 . 0 0 "[ . 1 . 2]" 1
309 1 28 THR HA 1 49 VAL MG2 3.840 . 3.840 2.895 2.175 3.311 . 0 0 "[ . 1 . 2]" 1
310 1 28 THR HB 1 29 ILE H 3.430 . 3.430 2.610 2.394 2.994 . 0 0 "[ . 1 . 2]" 1
311 1 28 THR HB 1 47 ASP H 4.750 . 4.750 4.698 4.244 4.838 0.088 17 0 "[ . 1 . 2]" 1
312 1 28 THR HB 1 48 LEU HA 5.500 . 5.500 3.367 2.114 4.543 . 0 0 "[ . 1 . 2]" 1
313 1 28 THR HB 1 48 LEU MD2 4.330 . 4.330 4.401 4.078 4.577 0.247 9 0 "[ . 1 . 2]" 1
314 1 28 THR MG 1 29 ILE H 3.710 . 3.710 3.936 3.785 4.020 0.310 4 0 "[ . 1 . 2]" 1
315 1 28 THR MG 1 48 LEU HA 3.250 . 3.250 2.874 2.127 3.220 . 0 0 "[ . 1 . 2]" 1
316 1 28 THR MG 1 49 VAL H 3.740 . 3.740 3.911 3.297 4.163 0.423 6 0 "[ . 1 . 2]" 1
317 1 29 ILE H 1 29 ILE HB 3.340 . 3.340 2.621 2.359 2.731 . 0 0 "[ . 1 . 2]" 1
318 1 29 ILE H 1 29 ILE MD 4.310 . 4.310 4.277 4.076 4.397 0.087 5 0 "[ . 1 . 2]" 1
319 1 29 ILE H 1 29 ILE HG12 3.770 . 3.770 3.482 2.685 3.855 0.085 3 0 "[ . 1 . 2]" 1
320 1 29 ILE H 1 29 ILE HG13 3.610 . 3.610 3.160 2.848 3.699 0.089 6 0 "[ . 1 . 2]" 1
321 1 29 ILE H 1 46 GLY H 4.740 . 4.740 4.763 4.626 4.828 0.088 4 0 "[ . 1 . 2]" 1
322 1 29 ILE H 1 47 ASP H 4.480 . 4.480 2.876 2.628 3.114 . 0 0 "[ . 1 . 2]" 1
323 1 29 ILE H 1 49 VAL MG2 4.040 . 4.040 3.215 2.981 3.509 . 0 0 "[ . 1 . 2]" 1
324 1 29 ILE HA 1 29 ILE MD 3.530 . 3.530 3.346 2.547 3.691 0.161 16 0 "[ . 1 . 2]" 1
325 1 29 ILE HA 1 29 ILE HG13 4.230 . 4.230 3.327 3.023 3.869 . 0 0 "[ . 1 . 2]" 1
326 1 29 ILE HA 1 29 ILE MG 3.280 . 3.280 2.327 2.227 2.390 . 0 0 "[ . 1 . 2]" 1
327 1 29 ILE HA 1 30 SER H 2.960 . 2.960 2.278 2.174 2.390 . 0 0 "[ . 1 . 2]" 1
328 1 29 ILE HA 1 46 GLY HA2 3.970 . 3.970 4.025 3.931 4.117 0.147 18 0 "[ . 1 . 2]" 1
329 1 29 ILE HB 1 30 SER H 4.190 . 4.190 3.969 3.819 4.098 . 0 0 "[ . 1 . 2]" 1
330 1 29 ILE HB 1 46 GLY H 3.310 . 3.310 2.996 2.835 3.176 . 0 0 "[ . 1 . 2]" 1
331 1 29 ILE HB 1 47 ASP H 3.670 . 3.670 2.472 2.282 2.680 . 0 0 "[ . 1 . 2]" 1
332 1 29 ILE MD 1 29 ILE MG 3.050 . 3.050 1.961 1.903 1.999 . 0 0 "[ . 1 . 2]" 1
333 1 29 ILE MD 1 30 SER H 4.630 . 4.630 4.458 3.833 4.749 0.119 4 0 "[ . 1 . 2]" 1
334 1 29 ILE MD 1 49 VAL MG1 4.370 . 4.370 3.850 3.473 4.401 0.031 18 0 "[ . 1 . 2]" 1
335 1 29 ILE MD 1 49 VAL MG2 3.220 . 3.220 2.652 2.186 3.272 0.052 1 0 "[ . 1 . 2]" 1
336 1 29 ILE HG12 1 29 ILE MG 3.290 . 3.290 2.801 2.526 3.271 . 0 0 "[ . 1 . 2]" 1
337 1 29 ILE HG13 1 29 ILE MG 3.450 . 3.450 3.139 2.675 3.322 . 0 0 "[ . 1 . 2]" 1
338 1 29 ILE HG13 1 47 ASP H 4.850 . 4.850 3.891 3.536 4.239 . 0 0 "[ . 1 . 2]" 1
339 1 29 ILE HG13 1 49 VAL MG1 4.200 . 4.200 4.276 4.232 4.326 0.126 12 0 "[ . 1 . 2]" 1
340 1 29 ILE MG 1 30 SER H 3.690 . 3.690 2.206 2.066 2.339 . 0 0 "[ . 1 . 2]" 1
341 1 29 ILE MG 1 30 SER HA 4.340 . 4.340 3.941 3.734 4.240 . 0 0 "[ . 1 . 2]" 1
342 1 29 ILE MG 1 31 ARG H 3.420 . 3.420 3.353 3.009 3.547 0.127 9 0 "[ . 1 . 2]" 1
343 1 29 ILE MG 1 45 GLN QB 3.210 . 3.210 2.389 1.838 3.407 0.197 13 0 "[ . 1 . 2]" 1
344 1 29 ILE MG 1 46 GLY H 3.890 . 3.890 3.659 3.503 3.775 . 0 0 "[ . 1 . 2]" 1
345 1 29 ILE MG 1 46 GLY HA3 3.150 . 3.150 3.270 3.177 3.352 0.202 16 0 "[ . 1 . 2]" 1
346 1 29 ILE MG 1 47 ASP H 3.990 . 3.990 3.976 3.823 4.096 0.106 1 0 "[ . 1 . 2]" 1
347 1 30 SER H 1 30 SER HB3 3.840 . 3.840 2.569 2.158 3.735 . 0 0 "[ . 1 . 2]" 1
348 1 30 SER H 1 31 ARG H 3.230 . 3.230 2.881 2.559 3.139 . 0 0 "[ . 1 . 2]" 1
349 1 30 SER HB2 1 31 ARG H 4.270 . 4.270 3.562 2.310 3.818 . 0 0 "[ . 1 . 2]" 1
350 1 30 SER HB3 1 31 ARG H 4.030 . 4.030 2.465 2.049 3.693 . 0 0 "[ . 1 . 2]" 1
351 1 31 ARG H 1 31 ARG QD 4.770 . 4.770 4.445 3.293 4.862 0.092 7 0 "[ . 1 . 2]" 1
352 1 31 ARG H 1 32 ILE H 4.840 . 4.840 4.390 4.275 4.493 . 0 0 "[ . 1 . 2]" 1
353 1 31 ARG HA 1 32 ILE H 2.930 . 2.930 2.356 2.198 2.520 . 0 0 "[ . 1 . 2]" 1
354 1 31 ARG QG 1 32 ILE H 4.500 . 4.500 3.060 1.828 4.277 . 0 0 "[ . 1 . 2]" 1
355 1 32 ILE H 1 32 ILE HA 2.860 . 2.860 2.875 2.823 2.914 0.054 12 0 "[ . 1 . 2]" 1
356 1 32 ILE H 1 32 ILE HB 3.470 . 3.470 2.109 1.971 2.290 . 0 0 "[ . 1 . 2]" 1
357 1 32 ILE H 1 32 ILE HG12 4.100 . 4.100 3.935 3.745 4.209 0.109 6 0 "[ . 1 . 2]" 1
358 1 32 ILE H 1 32 ILE HG13 4.320 . 4.320 4.118 3.859 4.312 . 0 0 "[ . 1 . 2]" 1
359 1 32 ILE H 1 32 ILE MG 4.310 . 4.310 3.587 3.448 3.717 . 0 0 "[ . 1 . 2]" 1
360 1 32 ILE HA 1 32 ILE HG12 3.980 . 3.980 3.720 3.582 3.806 . 0 0 "[ . 1 . 2]" 1
361 1 32 ILE HA 1 32 ILE HG13 3.240 . 3.240 2.686 2.370 2.869 . 0 0 "[ . 1 . 2]" 1
362 1 32 ILE HB 1 32 ILE MD 3.460 . 3.460 2.597 2.370 2.826 . 0 0 "[ . 1 . 2]" 1
363 1 32 ILE HB 1 33 THR H 4.610 . 4.610 4.225 4.070 4.361 . 0 0 "[ . 1 . 2]" 1
364 1 32 ILE MD 1 38 ALA MB 3.620 . 3.620 3.132 2.488 3.593 . 0 0 "[ . 1 . 2]" 1
365 1 32 ILE MD 1 39 ALA HA 4.350 . 4.350 4.541 4.416 4.695 0.345 20 0 "[ . 1 . 2]" 1
366 1 32 ILE MD 1 44 SER H 4.540 . 4.540 4.373 4.047 4.548 0.008 14 0 "[ . 1 . 2]" 1
367 1 32 ILE MD 1 44 SER HA 3.430 . 3.430 2.282 2.122 2.585 . 0 0 "[ . 1 . 2]" 1
368 1 32 ILE MD 1 45 GLN H 3.610 . 3.610 2.325 1.841 2.647 . 0 0 "[ . 1 . 2]" 1
369 1 32 ILE MD 1 45 GLN HA 4.020 . 4.020 3.931 3.842 4.039 0.019 1 0 "[ . 1 . 2]" 1
370 1 32 ILE MD 1 45 GLN QB 4.020 . 4.020 2.672 2.301 3.274 . 0 0 "[ . 1 . 2]" 1
371 1 32 ILE MD 1 45 GLN HG2 4.680 . 4.680 4.622 3.923 4.925 0.245 17 0 "[ . 1 . 2]" 1
372 1 32 ILE MD 1 45 GLN HG3 4.420 . 4.420 4.198 3.672 4.738 0.318 18 0 "[ . 1 . 2]" 1
373 1 32 ILE HG12 1 32 ILE MG 3.600 . 3.600 2.133 2.012 2.251 . 0 0 "[ . 1 . 2]" 1
374 1 32 ILE HG13 1 38 ALA HA 3.350 . 3.350 3.621 3.460 3.715 0.365 3 0 "[ . 1 . 2]" 1
375 1 32 ILE MG 1 33 THR H 3.500 . 3.500 2.412 2.212 2.608 . 0 0 "[ . 1 . 2]" 1
376 1 32 ILE MG 1 36 SER H 4.570 . 4.570 3.879 3.430 4.338 . 0 0 "[ . 1 . 2]" 1
377 1 32 ILE MG 1 36 SER QB 4.240 . 4.240 3.509 2.528 4.258 0.018 8 0 "[ . 1 . 2]" 1
378 1 32 ILE MG 1 38 ALA HA 4.120 . 4.120 4.056 3.751 4.242 0.122 8 0 "[ . 1 . 2]" 1
379 1 32 ILE MG 1 38 ALA MB 3.240 . 3.240 2.125 1.897 2.383 . 0 0 "[ . 1 . 2]" 1
380 1 32 ILE MG 1 39 ALA H 3.680 . 3.680 2.878 2.664 3.050 . 0 0 "[ . 1 . 2]" 1
381 1 32 ILE MG 1 39 ALA HA 3.090 . 3.090 2.222 2.034 2.618 . 0 0 "[ . 1 . 2]" 1
382 1 32 ILE MG 1 39 ALA MB 2.850 . 2.850 2.019 1.946 2.077 . 0 0 "[ . 1 . 2]" 1
383 1 33 THR H 1 33 THR HB 3.280 . 3.280 2.461 2.201 2.614 . 0 0 "[ . 1 . 2]" 1
384 1 33 THR H 1 33 THR MG 4.190 . 4.190 3.783 3.663 3.843 . 0 0 "[ . 1 . 2]" 1
385 1 33 THR H 1 34 PRO HD2 4.880 . 4.880 4.882 4.772 4.975 0.095 11 0 "[ . 1 . 2]" 1
386 1 33 THR H 1 38 ALA MB 4.490 . 4.490 3.271 2.767 3.924 . 0 0 "[ . 1 . 2]" 1
387 1 33 THR HA 1 33 THR MG 3.320 . 3.320 2.402 2.277 2.661 . 0 0 "[ . 1 . 2]" 1
388 1 33 THR HA 1 34 PRO HD2 3.660 . 3.660 2.238 2.140 2.352 . 0 0 "[ . 1 . 2]" 1
389 1 33 THR HA 1 34 PRO HD3 3.520 . 3.520 2.430 2.174 2.693 . 0 0 "[ . 1 . 2]" 1
390 1 33 THR MG 1 34 PRO HB3 4.150 . 4.150 4.469 4.284 4.615 0.465 3 0 "[ . 1 . 2]" 1
391 1 33 THR MG 1 34 PRO HD2 3.740 . 3.740 2.024 1.906 2.173 . 0 0 "[ . 1 . 2]" 1
392 1 33 THR MG 1 34 PRO HD3 3.330 . 3.330 3.382 3.337 3.425 0.095 20 0 "[ . 1 . 2]" 1
393 1 33 THR MG 1 34 PRO HG2 4.730 . 4.730 3.395 2.770 4.057 . 0 0 "[ . 1 . 2]" 1
394 1 33 THR MG 1 36 SER H 4.380 . 4.380 4.081 3.479 4.427 0.047 16 0 "[ . 1 . 2]" 1
395 1 33 THR MG 1 36 SER QB 3.760 . 3.760 3.563 3.045 3.874 0.114 3 0 "[ . 1 . 2]" 1
396 1 34 PRO HA 1 36 SER H 4.470 . 4.470 3.709 3.101 4.534 0.064 8 0 "[ . 1 . 2]" 1
397 1 35 GLY HA3 1 36 SER HA 4.620 . 4.620 4.393 4.156 4.553 . 0 0 "[ . 1 . 2]" 1
398 1 36 SER H 1 36 SER QB 3.730 . 3.730 2.394 2.122 2.773 . 0 0 "[ . 1 . 2]" 1
399 1 36 SER H 1 39 ALA H 4.420 . 4.420 3.685 3.351 4.067 . 0 0 "[ . 1 . 2]" 1
400 1 36 SER H 1 39 ALA MB 3.130 . 3.130 2.894 2.373 3.197 0.067 5 0 "[ . 1 . 2]" 1
401 1 36 SER QB 1 38 ALA H 4.550 . 4.550 2.905 2.565 3.375 . 0 0 "[ . 1 . 2]" 1
402 1 36 SER QB 1 39 ALA H 4.780 . 4.780 3.454 2.220 4.005 . 0 0 "[ . 1 . 2]" 1
403 1 36 SER QB 1 39 ALA MB 4.160 . 4.160 3.819 2.674 4.216 0.056 17 0 "[ . 1 . 2]" 1
404 1 37 LYS H 1 37 LYS QG 4.640 . 4.640 3.232 1.986 4.016 . 0 0 "[ . 1 . 2]" 1
405 1 37 LYS HA 1 40 GLN HB2 4.560 . 4.560 2.491 2.078 3.559 . 0 0 "[ . 1 . 2]" 1
406 1 37 LYS HB2 1 38 ALA H 3.960 . 3.960 3.169 2.226 3.960 0.000 1 0 "[ . 1 . 2]" 1
407 1 37 LYS HB3 1 38 ALA H 4.440 . 4.440 3.259 2.598 3.829 . 0 0 "[ . 1 . 2]" 1
408 1 37 LYS HB3 1 38 ALA HA 4.450 . 4.450 4.408 4.141 4.588 0.138 15 0 "[ . 1 . 2]" 1
409 1 37 LYS HE2 1 37 LYS QG 3.400 . 3.400 2.651 2.282 3.498 0.098 14 0 "[ . 1 . 2]" 1
410 1 38 ALA H 1 38 ALA MB 3.240 . 3.240 2.100 2.016 2.176 . 0 0 "[ . 1 . 2]" 1
411 1 38 ALA H 1 39 ALA H 3.850 . 3.850 2.867 2.539 3.161 . 0 0 "[ . 1 . 2]" 1
412 1 38 ALA HA 1 43 LEU MD2 3.540 . 3.540 2.006 1.870 2.230 . 0 0 "[ . 1 . 2]" 1
413 1 38 ALA HA 1 43 LEU HG 4.400 . 4.400 4.239 3.725 4.563 0.163 19 0 "[ . 1 . 2]" 1
414 1 38 ALA MB 1 39 ALA H 3.460 . 3.460 2.926 2.624 3.156 . 0 0 "[ . 1 . 2]" 1
415 1 38 ALA MB 1 43 LEU MD2 3.190 . 3.190 2.432 2.060 3.012 . 0 0 "[ . 1 . 2]" 1
416 1 39 ALA H 1 39 ALA MB 2.870 . 2.870 2.239 2.181 2.306 . 0 0 "[ . 1 . 2]" 1
417 1 39 ALA HA 1 41 SER H 4.580 . 4.580 4.649 4.567 4.724 0.144 1 0 "[ . 1 . 2]" 1
418 1 40 GLN H 1 40 GLN HB2 4.070 . 4.070 2.204 1.925 2.440 . 0 0 "[ . 1 . 2]" 1
419 1 40 GLN H 1 40 GLN HB3 3.550 . 3.550 3.381 2.183 3.550 . 0 0 "[ . 1 . 2]" 1
420 1 40 GLN H 1 40 GLN HG2 3.880 . 3.880 3.111 2.207 4.169 0.289 2 0 "[ . 1 . 2]" 1
421 1 40 GLN H 1 40 GLN HG3 4.190 . 4.190 3.319 2.136 4.260 0.070 2 0 "[ . 1 . 2]" 1
422 1 40 GLN H 1 41 SER H 3.780 . 3.780 2.911 2.557 3.118 . 0 0 "[ . 1 . 2]" 1
423 1 40 GLN HA 1 40 GLN HG3 3.800 . 3.800 3.364 2.539 3.809 0.009 10 0 "[ . 1 . 2]" 1
424 1 40 GLN HB2 1 41 SER H 4.650 . 4.650 2.896 2.483 3.777 . 0 0 "[ . 1 . 2]" 1
425 1 40 GLN HB2 1 41 SER QB 4.400 . 4.400 3.657 3.004 4.530 0.130 2 0 "[ . 1 . 2]" 1
426 1 40 GLN HB3 1 41 SER H 4.080 . 4.080 3.314 2.426 3.701 . 0 0 "[ . 1 . 2]" 1
427 1 40 GLN HB3 1 41 SER QB 3.550 . 3.550 3.583 2.910 3.740 0.190 15 0 "[ . 1 . 2]" 1
428 1 41 SER H 1 41 SER QB 3.740 . 3.740 2.370 2.158 2.838 . 0 0 "[ . 1 . 2]" 1
429 1 41 SER H 1 42 GLN H 4.420 . 4.420 4.162 3.700 4.386 . 0 0 "[ . 1 . 2]" 1
430 1 41 SER QB 1 42 GLN H 3.700 . 3.700 2.441 2.084 2.742 . 0 0 "[ . 1 . 2]" 1
431 1 41 SER QB 1 43 LEU H 4.340 . 4.340 2.892 2.192 3.948 . 0 0 "[ . 1 . 2]" 1
432 1 42 GLN H 1 42 GLN HB2 3.460 . 3.460 2.469 2.135 3.573 0.113 3 0 "[ . 1 . 2]" 1
433 1 42 GLN H 1 42 GLN HB3 3.750 . 3.750 3.467 2.073 3.686 . 0 0 "[ . 1 . 2]" 1
434 1 42 GLN H 1 42 GLN HG2 4.040 . 4.040 3.249 2.270 4.247 0.207 11 0 "[ . 1 . 2]" 1
435 1 42 GLN H 1 42 GLN HG3 4.160 . 4.160 3.222 2.222 4.208 0.048 11 0 "[ . 1 . 2]" 1
436 1 42 GLN HB2 1 42 GLN HE21 4.520 . 4.520 3.667 2.339 4.520 . 9 0 "[ . 1 . 2]" 1
437 1 42 GLN HB3 1 42 GLN HE21 4.550 . 4.550 3.551 2.235 4.556 0.006 15 0 "[ . 1 . 2]" 1
438 1 43 LEU H 1 43 LEU HB2 3.340 . 3.340 2.281 1.960 3.572 0.232 20 0 "[ . 1 . 2]" 1
439 1 43 LEU H 1 43 LEU HB3 3.860 . 3.860 2.673 2.459 2.966 . 0 0 "[ . 1 . 2]" 1
440 1 43 LEU H 1 43 LEU MD1 3.780 . 3.780 3.635 1.692 3.923 0.143 10 0 "[ . 1 . 2]" 1
441 1 43 LEU HA 1 43 LEU MD1 3.260 . 3.260 2.304 2.119 3.425 0.165 20 0 "[ . 1 . 2]" 1
442 1 43 LEU HA 1 44 SER H 3.060 . 3.060 2.199 2.097 2.269 . 0 0 "[ . 1 . 2]" 1
443 1 43 LEU HB2 1 43 LEU MD1 3.080 . 3.080 2.289 2.128 3.173 0.093 20 0 "[ . 1 . 2]" 1
444 1 43 LEU HB2 1 44 SER H 4.620 . 4.620 4.348 2.516 4.565 . 0 0 "[ . 1 . 2]" 1
445 1 43 LEU HB3 1 43 LEU MD2 3.180 . 3.180 2.347 2.166 3.289 0.109 20 0 "[ . 1 . 2]" 1
446 1 43 LEU HB3 1 44 SER H 4.170 . 4.170 4.037 3.550 4.244 0.074 19 0 "[ . 1 . 2]" 1
447 1 43 LEU MD1 1 44 SER H 4.240 . 4.240 3.527 3.125 4.326 0.086 20 0 "[ . 1 . 2]" 1
448 1 44 SER H 1 44 SER QB 3.850 . 3.850 2.887 2.519 3.433 . 0 0 "[ . 1 . 2]" 1
449 1 45 GLN H 1 45 GLN QB 2.890 . 2.890 2.205 1.946 2.528 . 0 0 "[ . 1 . 2]" 1
450 1 45 GLN H 1 45 GLN HE21 4.570 . 4.570 4.802 4.527 5.021 0.451 8 0 "[ . 1 . 2]" 1
451 1 45 GLN H 1 45 GLN HG2 4.000 . 4.000 3.504 2.888 4.131 0.131 4 0 "[ . 1 . 2]" 1
452 1 45 GLN H 1 45 GLN HG3 3.920 . 3.920 2.728 1.791 4.155 0.235 18 0 "[ . 1 . 2]" 1
453 1 45 GLN HA 1 45 GLN HG2 4.230 . 4.230 2.805 2.348 3.641 . 0 0 "[ . 1 . 2]" 1
454 1 45 GLN HA 1 45 GLN HG3 3.280 . 3.280 2.856 2.403 3.272 . 0 0 "[ . 1 . 2]" 1
455 1 45 GLN HA 1 46 GLY H 2.760 . 2.760 2.175 2.107 2.242 . 0 0 "[ . 1 . 2]" 1
456 1 45 GLN QB 1 45 GLN HE22 4.630 . 4.630 3.840 3.574 4.062 . 0 0 "[ . 1 . 2]" 1
457 1 45 GLN QB 1 46 GLY H 4.100 . 4.100 3.725 3.376 4.037 . 0 0 "[ . 1 . 2]" 1
458 1 45 GLN HE22 1 69 ILE MD 2.940 . 2.940 2.097 1.791 2.981 0.041 17 0 "[ . 1 . 2]" 1
459 1 45 GLN HE22 1 69 ILE HG13 4.070 . 4.070 4.521 4.410 4.686 0.616 8 4 "[* . +*1 - . 2]" 1
460 1 45 GLN HE22 1 69 ILE MG 3.430 . 3.430 2.976 2.280 3.464 0.034 4 0 "[ . 1 . 2]" 1
461 1 45 GLN HE22 1 78 LEU MD1 3.550 . 3.550 3.425 2.580 3.644 0.094 18 0 "[ . 1 . 2]" 1
462 1 45 GLN HE22 1 78 LEU MD2 3.510 . 3.510 3.525 3.320 3.644 0.134 4 0 "[ . 1 . 2]" 1
463 1 45 GLN HG2 1 46 GLY H 4.420 . 4.420 4.483 4.330 4.625 0.205 2 0 "[ . 1 . 2]" 1
464 1 46 GLY H 1 47 ASP H 3.580 . 3.580 2.255 2.017 2.503 . 0 0 "[ . 1 . 2]" 1
465 1 47 ASP H 1 47 ASP HB2 3.480 . 3.480 3.155 2.654 3.442 . 0 0 "[ . 1 . 2]" 1
466 1 47 ASP H 1 47 ASP HB3 3.910 . 3.910 3.296 3.111 3.644 . 0 0 "[ . 1 . 2]" 1
467 1 47 ASP H 1 48 LEU H 4.300 . 4.300 4.236 4.173 4.296 . 0 0 "[ . 1 . 2]" 1
468 1 47 ASP H 1 80 LEU MD2 4.800 . 4.800 4.890 4.845 4.959 0.159 17 0 "[ . 1 . 2]" 1
469 1 47 ASP HB2 1 48 LEU H 4.140 . 4.140 3.751 3.589 4.008 . 0 0 "[ . 1 . 2]" 1
470 1 47 ASP HB2 1 80 LEU QB 4.110 . 4.110 4.159 3.768 4.271 0.161 19 0 "[ . 1 . 2]" 1
471 1 47 ASP HB2 1 80 LEU MD1 3.690 . 3.690 2.687 2.101 2.992 . 0 0 "[ . 1 . 2]" 1
472 1 47 ASP HB3 1 48 LEU H 3.670 . 3.670 2.570 2.420 2.718 . 0 0 "[ . 1 . 2]" 1
473 1 47 ASP HB3 1 80 LEU QB 3.920 . 3.920 2.764 2.630 3.345 . 0 0 "[ . 1 . 2]" 1
474 1 47 ASP HB3 1 80 LEU MD1 3.960 . 3.960 2.292 2.093 2.870 . 0 0 "[ . 1 . 2]" 1
475 1 47 ASP HB3 1 80 LEU MD2 4.070 . 4.070 4.293 4.194 4.402 0.332 13 0 "[ . 1 . 2]" 1
476 1 47 ASP HB3 1 81 GLN H 4.690 . 4.690 3.325 2.946 3.746 . 0 0 "[ . 1 . 2]" 1
477 1 48 LEU H 1 48 LEU HB2 2.940 . 2.940 2.408 2.127 2.569 . 0 0 "[ . 1 . 2]" 1
478 1 48 LEU H 1 48 LEU HB3 3.430 . 3.430 3.264 2.137 3.639 0.209 7 0 "[ . 1 . 2]" 1
479 1 48 LEU H 1 48 LEU MD1 3.680 . 3.680 3.201 2.894 3.924 0.244 9 0 "[ . 1 . 2]" 1
480 1 48 LEU H 1 48 LEU MD2 3.560 . 3.560 2.507 1.914 3.915 0.355 19 0 "[ . 1 . 2]" 1
481 1 48 LEU H 1 48 LEU HG 4.220 . 4.220 4.140 3.965 4.287 0.067 18 0 "[ . 1 . 2]" 1
482 1 48 LEU H 1 80 LEU QB 4.540 . 4.540 3.679 3.509 3.822 . 0 0 "[ . 1 . 2]" 1
483 1 48 LEU H 1 80 LEU MD1 4.000 . 4.000 3.966 3.811 4.045 0.045 8 0 "[ . 1 . 2]" 1
484 1 48 LEU H 1 81 GLN H 3.710 . 3.710 3.434 3.170 3.807 0.097 13 0 "[ . 1 . 2]" 1
485 1 48 LEU H 1 81 GLN QB 4.210 . 4.210 3.327 2.893 3.894 . 0 0 "[ . 1 . 2]" 1
486 1 48 LEU HA 1 48 LEU MD1 4.490 . 4.490 2.542 2.035 3.853 . 0 0 "[ . 1 . 2]" 1
487 1 48 LEU HA 1 48 LEU HG 3.510 . 3.510 3.373 2.597 3.664 0.154 15 0 "[ . 1 . 2]" 1
488 1 48 LEU HA 1 49 VAL H 2.620 . 2.620 2.159 2.059 2.228 . 0 0 "[ . 1 . 2]" 1
489 1 48 LEU HA 1 49 VAL MG2 4.100 . 4.100 3.340 2.986 3.586 . 0 0 "[ . 1 . 2]" 1
490 1 48 LEU MD2 1 81 GLN H 4.230 . 4.230 4.256 3.803 4.414 0.184 8 0 "[ . 1 . 2]" 1
491 1 48 LEU O 1 81 GLN H 2.100 . 2.600 1.909 1.692 2.303 . 0 0 "[ . 1 . 2]" 1
492 1 48 LEU O 1 81 GLN N 3.000 2.500 3.500 2.859 2.679 3.174 . 0 0 "[ . 1 . 2]" 1
493 1 49 VAL H 1 49 VAL HB 3.260 . 3.260 2.393 2.231 2.526 . 0 0 "[ . 1 . 2]" 1
494 1 49 VAL H 1 49 VAL MG1 3.530 . 3.530 3.693 3.646 3.730 0.200 7 0 "[ . 1 . 2]" 1
495 1 49 VAL H 1 49 VAL MG2 3.240 . 3.240 2.045 1.896 2.216 . 0 0 "[ . 1 . 2]" 1
496 1 49 VAL H 1 80 LEU HA 4.490 . 4.490 4.650 4.568 4.690 0.200 8 0 "[ . 1 . 2]" 1
497 1 49 VAL HA 1 49 VAL MG1 2.930 . 2.930 2.337 2.272 2.484 . 0 0 "[ . 1 . 2]" 1
498 1 49 VAL HA 1 49 VAL MG2 3.390 . 3.390 2.386 2.302 2.441 . 0 0 "[ . 1 . 2]" 1
499 1 49 VAL HA 1 50 VAL H 2.830 . 2.830 2.277 2.238 2.336 . 0 0 "[ . 1 . 2]" 1
500 1 49 VAL HA 1 80 LEU HA 4.140 . 4.140 2.141 2.033 2.240 . 0 0 "[ . 1 . 2]" 1
501 1 49 VAL HA 1 80 LEU MD1 3.980 . 3.980 3.612 3.480 3.694 . 0 0 "[ . 1 . 2]" 1
502 1 49 VAL HA 1 80 LEU MD2 3.620 . 3.620 3.907 3.810 3.995 0.375 18 0 "[ . 1 . 2]" 1
503 1 49 VAL HA 1 80 LEU HG 3.910 . 3.910 4.424 4.372 4.460 0.550 14 16 "[***-******** +. * **]" 1
504 1 49 VAL HA 1 81 GLN H 4.610 . 4.610 3.570 3.274 3.823 . 0 0 "[ . 1 . 2]" 1
505 1 49 VAL MG1 1 80 LEU QB 3.340 . 3.340 2.491 2.258 3.013 . 0 0 "[ . 1 . 2]" 1
506 1 50 VAL H 1 50 VAL HB 3.910 . 3.910 2.762 2.663 2.832 . 0 0 "[ . 1 . 2]" 1
507 1 50 VAL H 1 50 VAL MG1 3.770 . 3.770 3.814 3.794 3.837 0.067 15 0 "[ . 1 . 2]" 1
508 1 50 VAL H 1 50 VAL MG2 3.070 . 3.070 2.151 2.064 2.250 . 0 0 "[ . 1 . 2]" 1
509 1 50 VAL H 1 51 ALA H 3.090 . 3.090 2.367 2.210 2.527 . 0 0 "[ . 1 . 2]" 1
510 1 50 VAL H 1 79 THR H 4.310 . 4.310 4.115 3.927 4.268 . 0 0 "[ . 1 . 2]" 1
511 1 50 VAL H 1 79 THR MG 4.600 . 4.600 3.827 3.573 4.154 . 0 0 "[ . 1 . 2]" 1
512 1 50 VAL H 1 80 LEU HA 3.490 . 3.490 2.150 2.012 2.290 . 0 0 "[ . 1 . 2]" 1
513 1 50 VAL H 1 80 LEU MD2 4.410 . 4.410 4.557 4.488 4.623 0.213 5 0 "[ . 1 . 2]" 1
514 1 50 VAL HA 1 50 VAL MG1 3.030 . 3.030 2.182 2.124 2.219 . 0 0 "[ . 1 . 2]" 1
515 1 50 VAL HA 1 51 ALA H 3.540 . 3.540 3.550 3.529 3.559 0.019 6 0 "[ . 1 . 2]" 1
516 1 50 VAL HA 1 57 THR HG1 3.700 . 3.700 3.137 2.719 3.761 0.061 16 0 "[ . 1 . 2]" 1
517 1 50 VAL HB 1 51 ALA H 3.820 . 3.820 2.162 1.922 2.415 . 0 0 "[ . 1 . 2]" 1
518 1 50 VAL HB 1 79 THR HB 4.640 . 4.640 2.896 2.706 3.037 . 0 0 "[ . 1 . 2]" 1
519 1 50 VAL HB 1 79 THR MG 3.710 . 3.710 2.814 2.470 3.228 . 0 0 "[ . 1 . 2]" 1
520 1 50 VAL MG1 1 51 ALA H 4.180 . 4.180 3.506 3.257 3.737 . 0 0 "[ . 1 . 2]" 1
521 1 50 VAL MG1 1 79 THR HB 4.470 . 4.470 4.363 4.120 4.529 0.059 8 0 "[ . 1 . 2]" 1
522 1 50 VAL MG1 1 81 GLN HE21 4.550 . 4.550 4.027 2.911 4.646 0.096 11 0 "[ . 1 . 2]" 1
523 1 50 VAL MG2 1 51 ALA H 3.230 . 3.230 3.301 3.233 3.347 0.117 18 0 "[ . 1 . 2]" 1
524 1 50 VAL MG2 1 79 THR HB 3.670 . 3.670 3.760 3.733 3.787 0.117 4 0 "[ . 1 . 2]" 1
525 1 50 VAL MG2 1 79 THR MG 3.160 . 3.160 2.563 2.292 2.985 . 0 0 "[ . 1 . 2]" 1
526 1 50 VAL MG2 1 80 LEU HA 3.720 . 3.720 2.061 1.987 2.154 . 0 0 "[ . 1 . 2]" 1
527 1 50 VAL MG2 1 81 GLN H 4.050 . 4.050 3.172 2.997 3.486 . 0 0 "[ . 1 . 2]" 1
528 1 50 VAL MG2 1 81 GLN HE22 4.740 . 4.740 3.873 1.913 4.766 0.026 18 0 "[ . 1 . 2]" 1
529 1 50 VAL MG2 1 81 GLN QG 4.410 . 4.410 2.450 1.953 4.085 . 0 0 "[ . 1 . 2]" 1
530 1 51 ALA H 1 51 ALA MB 3.240 . 3.240 2.522 2.424 2.648 . 0 0 "[ . 1 . 2]" 1
531 1 51 ALA H 1 56 ASN HA 4.390 . 4.390 4.517 4.442 4.590 0.200 1 0 "[ . 1 . 2]" 1
532 1 51 ALA H 1 79 THR H 3.520 . 3.520 3.159 2.951 3.342 . 0 0 "[ . 1 . 2]" 1
533 1 51 ALA H 1 79 THR HB 3.460 . 3.460 2.415 2.222 2.670 . 0 0 "[ . 1 . 2]" 1
534 1 51 ALA HA 1 52 ILE H 2.920 . 2.920 2.170 2.137 2.255 . 0 0 "[ . 1 . 2]" 1
535 1 51 ALA HA 1 52 ILE MG 4.640 . 4.640 4.158 3.669 4.751 0.111 8 0 "[ . 1 . 2]" 1
536 1 51 ALA MB 1 52 ILE H 3.290 . 3.290 2.727 2.497 2.893 . 0 0 "[ . 1 . 2]" 1
537 1 51 ALA MB 1 53 ASP H 4.850 . 4.850 4.756 4.461 4.903 0.053 5 0 "[ . 1 . 2]" 1
538 1 51 ALA MB 1 54 GLY H 3.780 . 3.780 2.996 2.771 3.239 . 0 0 "[ . 1 . 2]" 1
539 1 51 ALA MB 1 54 GLY HA3 4.060 . 4.060 4.109 3.914 4.183 0.123 9 0 "[ . 1 . 2]" 1
540 1 51 ALA MB 1 56 ASN HA 3.280 . 3.280 2.746 2.527 2.981 . 0 0 "[ . 1 . 2]" 1
541 1 51 ALA MB 1 56 ASN HB2 4.600 . 4.600 4.115 3.463 4.610 0.010 3 0 "[ . 1 . 2]" 1
542 1 51 ALA MB 1 79 THR H 3.800 . 3.800 3.582 3.310 3.829 0.029 4 0 "[ . 1 . 2]" 1
543 1 52 ILE H 1 52 ILE HB 3.480 . 3.480 2.668 2.373 2.998 . 0 0 "[ . 1 . 2]" 1
544 1 52 ILE H 1 52 ILE QG 4.520 . 4.520 4.055 3.743 4.209 . 0 0 "[ . 1 . 2]" 1
545 1 52 ILE H 1 52 ILE MG 4.150 . 4.150 2.544 2.192 3.051 . 0 0 "[ . 1 . 2]" 1
546 1 52 ILE H 1 55 VAL H 3.640 . 3.640 2.714 2.457 3.071 . 0 0 "[ . 1 . 2]" 1
547 1 52 ILE H 1 55 VAL HB 4.290 . 4.290 3.696 3.431 3.859 . 0 0 "[ . 1 . 2]" 1
548 1 52 ILE H 1 56 ASN HA 4.400 . 4.400 3.656 3.511 3.849 . 0 0 "[ . 1 . 2]" 1
549 1 52 ILE HA 1 52 ILE QG 3.770 . 3.770 2.181 2.032 2.385 . 0 0 "[ . 1 . 2]" 1
550 1 52 ILE HA 1 52 ILE MG 3.460 . 3.460 3.190 3.021 3.245 . 0 0 "[ . 1 . 2]" 1
551 1 52 ILE HA 1 53 ASP H 2.990 . 2.990 2.149 2.045 2.266 . 0 0 "[ . 1 . 2]" 1
552 1 52 ILE HA 1 55 VAL H 4.720 . 4.720 4.316 4.103 4.645 . 0 0 "[ . 1 . 2]" 1
553 1 52 ILE HA 1 78 LEU HA 4.640 . 4.640 2.869 2.733 3.067 . 0 0 "[ . 1 . 2]" 1
554 1 52 ILE HA 1 78 LEU MD1 3.220 . 3.220 3.084 2.386 3.280 0.060 4 0 "[ . 1 . 2]" 1
555 1 52 ILE HB 1 53 ASP H 5.040 . 5.040 4.442 4.165 4.571 . 0 0 "[ . 1 . 2]" 1
556 1 52 ILE HB 1 55 VAL H 4.790 . 4.790 4.972 4.848 5.100 0.310 9 0 "[ . 1 . 2]" 1
557 1 52 ILE MD 1 68 LYS H 4.570 . 4.570 4.441 4.019 4.688 0.118 16 0 "[ . 1 . 2]" 1
558 1 52 ILE MD 1 68 LYS QB 3.490 . 3.490 2.254 1.970 3.218 . 0 0 "[ . 1 . 2]" 1
559 1 52 ILE MD 1 69 ILE H 4.300 . 4.300 3.145 2.762 3.479 . 0 0 "[ . 1 . 2]" 1
560 1 52 ILE MG 1 53 ASP H 3.610 . 3.610 3.683 3.292 3.863 0.253 18 0 "[ . 1 . 2]" 1
561 1 52 ILE MG 1 53 ASP HB2 4.670 . 4.670 3.475 2.511 4.788 0.118 20 0 "[ . 1 . 2]" 1
562 1 52 ILE MG 1 53 ASP HB3 4.020 . 4.020 3.674 3.136 4.200 0.180 14 0 "[ . 1 . 2]" 1
563 1 52 ILE MG 1 57 THR MG 3.010 . 3.010 2.881 2.198 3.242 0.232 14 0 "[ . 1 . 2]" 1
564 1 52 ILE MG 1 68 LYS QB 3.490 . 3.490 2.262 2.004 2.668 . 0 0 "[ . 1 . 2]" 1
565 1 52 ILE MG 1 68 LYS QE 4.120 . 4.120 3.523 2.687 4.267 0.147 9 0 "[ . 1 . 2]" 1
566 1 53 ASP H 1 54 GLY H 3.830 . 3.830 2.772 2.529 2.915 . 0 0 "[ . 1 . 2]" 1
567 1 53 ASP H 1 77 SER H 4.520 . 4.520 3.577 3.039 4.191 . 0 0 "[ . 1 . 2]" 1
568 1 53 ASP H 1 77 SER QB 4.370 . 4.370 3.493 2.617 4.215 . 0 0 "[ . 1 . 2]" 1
569 1 53 ASP H 1 78 LEU HA 4.300 . 4.300 3.510 2.900 3.850 . 0 0 "[ . 1 . 2]" 1
570 1 53 ASP HA 1 54 GLY H 3.400 . 3.400 2.953 2.743 3.159 . 0 0 "[ . 1 . 2]" 1
571 1 53 ASP HA 1 55 VAL H 4.530 . 4.530 4.502 4.373 4.572 0.042 13 0 "[ . 1 . 2]" 1
572 1 53 ASP HA 1 77 SER H 4.560 . 4.560 2.974 2.128 3.727 . 0 0 "[ . 1 . 2]" 1
573 1 53 ASP HA 1 77 SER QB 3.120 . 3.120 2.586 2.032 3.141 0.021 5 0 "[ . 1 . 2]" 1
574 1 53 ASP HB3 1 55 VAL MG2 4.860 . 4.860 3.564 2.756 4.962 0.102 20 0 "[ . 1 . 2]" 1
575 1 54 GLY H 1 55 VAL H 3.590 . 3.590 2.481 2.282 2.650 . 0 0 "[ . 1 . 2]" 1
576 1 54 GLY H 1 55 VAL HA 4.950 . 4.950 5.003 4.890 5.045 0.095 7 0 "[ . 1 . 2]" 1
577 1 55 VAL H 1 55 VAL HB 3.160 . 3.160 2.556 2.444 2.632 . 0 0 "[ . 1 . 2]" 1
578 1 55 VAL H 1 55 VAL MG2 3.110 . 3.110 2.555 2.350 2.746 . 0 0 "[ . 1 . 2]" 1
579 1 55 VAL HA 1 55 VAL MG1 3.010 . 3.010 2.301 2.220 2.386 . 0 0 "[ . 1 . 2]" 1
580 1 55 VAL HA 1 56 ASN H 2.780 . 2.780 2.215 2.141 2.283 . 0 0 "[ . 1 . 2]" 1
581 1 55 VAL MG1 1 56 ASN H 3.370 . 3.370 2.577 2.469 2.703 . 0 0 "[ . 1 . 2]" 1
582 1 55 VAL MG1 1 56 ASN HB3 4.480 . 4.480 4.548 4.394 4.658 0.178 4 0 "[ . 1 . 2]" 1
583 1 56 ASN H 1 56 ASN HB2 3.540 . 3.540 3.422 2.047 3.614 0.074 6 0 "[ . 1 . 2]" 1
584 1 56 ASN H 1 56 ASN HB3 3.280 . 3.280 2.534 2.311 3.222 . 0 0 "[ . 1 . 2]" 1
585 1 56 ASN HA 1 57 THR H 2.940 . 2.940 2.220 2.160 2.556 . 0 0 "[ . 1 . 2]" 1
586 1 56 ASN HB2 1 57 THR H 4.130 . 4.130 3.065 2.266 4.257 0.127 14 0 "[ . 1 . 2]" 1
587 1 56 ASN HB2 1 58 ASP H 3.960 . 3.960 3.785 3.090 4.140 0.180 8 0 "[ . 1 . 2]" 1
588 1 56 ASN HB3 1 56 ASN HD22 3.830 . 3.830 3.817 3.515 4.006 0.176 16 0 "[ . 1 . 2]" 1
589 1 56 ASN HB3 1 57 THR H 4.640 . 4.640 4.002 3.316 4.289 . 0 0 "[ . 1 . 2]" 1
590 1 56 ASN HD22 1 58 ASP H 4.230 . 4.230 4.181 3.849 4.314 0.084 14 0 "[ . 1 . 2]" 1
591 1 57 THR H 1 57 THR HG1 4.000 . 4.000 2.290 1.801 3.055 . 0 0 "[ . 1 . 2]" 1
592 1 57 THR H 1 57 THR MG 3.230 . 3.230 2.340 2.086 2.912 . 0 0 "[ . 1 . 2]" 1
593 1 57 THR H 1 58 ASP H 3.500 . 3.500 3.252 2.755 3.645 0.145 17 0 "[ . 1 . 2]" 1
594 1 57 THR H 1 60 MET QB 4.420 . 4.420 4.628 4.491 4.689 0.269 8 0 "[ . 1 . 2]" 1
595 1 57 THR HA 1 57 THR MG 3.060 . 3.060 2.265 2.192 2.323 . 0 0 "[ . 1 . 2]" 1
596 1 57 THR HA 1 59 THR H 4.640 . 4.640 3.919 3.348 4.215 . 0 0 "[ . 1 . 2]" 1
597 1 57 THR HA 1 60 MET QG 3.590 . 3.590 3.053 2.703 3.767 0.177 1 0 "[ . 1 . 2]" 1
598 1 57 THR HG1 1 57 THR MG 3.050 . 3.050 2.271 2.051 3.033 . 0 0 "[ . 1 . 2]" 1
599 1 57 THR HG1 1 58 ASP H 4.620 . 4.620 4.656 4.279 4.760 0.140 2 0 "[ . 1 . 2]" 1
600 1 57 THR MG 1 58 ASP H 4.500 . 4.500 4.331 4.191 4.415 . 0 0 "[ . 1 . 2]" 1
601 1 57 THR MG 1 60 MET H 4.590 . 4.590 4.552 4.138 4.786 0.196 1 0 "[ . 1 . 2]" 1
602 1 57 THR MG 1 60 MET QB 4.100 . 4.100 2.733 2.330 3.158 . 0 0 "[ . 1 . 2]" 1
603 1 58 ASP H 1 58 ASP QB 3.040 . 3.040 2.237 1.973 2.551 . 0 0 "[ . 1 . 2]" 1
604 1 58 ASP H 1 59 THR H 4.090 . 4.090 2.953 2.442 3.261 . 0 0 "[ . 1 . 2]" 1
605 1 58 ASP HA 1 58 ASP QB 2.740 . 2.740 2.423 2.158 2.569 . 0 0 "[ . 1 . 2]" 1
606 1 58 ASP QB 1 59 THR H 3.920 . 3.920 2.663 2.284 3.319 . 0 0 "[ . 1 . 2]" 1
607 1 58 ASP QB 1 59 THR MG 3.930 . 3.930 3.528 2.975 4.022 0.092 15 0 "[ . 1 . 2]" 1
608 1 59 THR H 1 59 THR HB 3.980 . 3.980 2.891 2.587 3.189 . 0 0 "[ . 1 . 2]" 1
609 1 59 THR H 1 59 THR MG 3.820 . 3.820 2.170 1.942 2.299 . 0 0 "[ . 1 . 2]" 1
610 1 59 THR H 1 60 MET H 3.610 . 3.610 2.386 2.099 2.731 . 0 0 "[ . 1 . 2]" 1
611 1 59 THR HA 1 60 MET QB 4.690 . 4.690 4.861 4.533 4.969 0.279 8 0 "[ . 1 . 2]" 1
612 1 59 THR MG 1 60 MET H 4.480 . 4.480 3.362 2.458 3.933 . 0 0 "[ . 1 . 2]" 1
613 1 59 THR MG 1 60 MET HA 4.190 . 4.190 3.745 3.309 4.214 0.024 14 0 "[ . 1 . 2]" 1
614 1 60 MET H 1 60 MET QB 3.160 . 3.160 2.055 1.788 2.371 0.012 10 0 "[ . 1 . 2]" 1
615 1 60 MET H 1 60 MET QG 3.570 . 3.570 3.329 2.378 3.782 0.212 10 0 "[ . 1 . 2]" 1
616 1 60 MET H 1 61 THR H 4.750 . 4.750 4.439 4.139 4.562 . 0 0 "[ . 1 . 2]" 1
617 1 60 MET H 1 61 THR MG 4.600 . 4.600 4.684 4.556 4.786 0.186 13 0 "[ . 1 . 2]" 1
618 1 60 MET H 1 64 GLU HB3 5.020 . 5.020 5.197 5.058 5.376 0.356 19 0 "[ . 1 . 2]" 1
619 1 60 MET HA 1 60 MET QG 3.740 . 3.740 2.399 2.221 2.730 . 0 0 "[ . 1 . 2]" 1
620 1 60 MET HA 1 61 THR H 3.050 . 3.050 2.183 2.092 2.286 . 0 0 "[ . 1 . 2]" 1
621 1 60 MET QB 1 61 THR H 3.990 . 3.990 3.289 2.799 3.942 . 0 0 "[ . 1 . 2]" 1
622 1 60 MET QB 1 65 ALA MB 3.610 . 3.610 2.992 2.084 3.615 0.005 1 0 "[ . 1 . 2]" 1
623 1 60 MET QG 1 61 THR H 4.560 . 4.560 3.801 3.113 4.339 . 0 0 "[ . 1 . 2]" 1
624 1 60 MET QG 1 64 GLU HB2 4.460 . 4.460 3.926 3.523 4.465 0.005 12 0 "[ . 1 . 2]" 1
625 1 60 MET QG 1 64 GLU HB3 3.120 . 3.120 2.612 2.047 3.112 . 0 0 "[ . 1 . 2]" 1
626 1 61 THR H 1 61 THR MG 3.160 . 3.160 2.344 2.092 2.606 . 0 0 "[ . 1 . 2]" 1
627 1 61 THR H 1 64 GLU H 4.480 . 4.480 3.105 2.808 3.404 . 0 0 "[ . 1 . 2]" 1
628 1 61 THR H 1 64 GLU HB2 3.240 . 3.240 2.003 1.705 2.355 0.095 15 0 "[ . 1 . 2]" 1
629 1 61 THR H 1 64 GLU HB3 3.600 . 3.600 2.539 2.175 2.997 . 0 0 "[ . 1 . 2]" 1
630 1 61 THR H 1 64 GLU QG 4.810 . 4.810 3.747 2.416 4.254 . 0 0 "[ . 1 . 2]" 1
631 1 61 THR H 1 65 ALA H 4.730 . 4.730 3.679 3.394 4.036 . 0 0 "[ . 1 . 2]" 1
632 1 61 THR H 1 65 ALA MB 5.390 . 5.390 4.421 4.165 4.886 . 0 0 "[ . 1 . 2]" 1
633 1 61 THR HA 1 61 THR MG 3.200 . 3.200 2.334 2.268 2.400 . 0 0 "[ . 1 . 2]" 1
634 1 61 THR HA 1 62 HIS H 3.190 . 3.190 2.561 2.493 2.642 . 0 0 "[ . 1 . 2]" 1
635 1 61 THR HB 1 62 HIS H 3.340 . 3.340 2.236 2.039 2.455 . 0 0 "[ . 1 . 2]" 1
636 1 61 THR HB 1 63 LEU H 4.030 . 4.030 3.159 2.768 3.828 . 0 0 "[ . 1 . 2]" 1
637 1 61 THR HB 1 64 GLU H 4.400 . 4.400 3.868 3.637 4.285 . 0 0 "[ . 1 . 2]" 1
638 1 61 THR MG 1 62 HIS H 4.090 . 4.090 3.726 3.567 3.874 . 0 0 "[ . 1 . 2]" 1
639 1 61 THR MG 1 64 GLU H 4.550 . 4.550 4.024 3.884 4.347 . 0 0 "[ . 1 . 2]" 1
640 1 61 THR MG 1 64 GLU HB2 4.040 . 4.040 3.483 3.240 3.706 . 0 0 "[ . 1 . 2]" 1
641 1 61 THR MG 1 64 GLU HB3 4.380 . 4.380 4.453 4.281 4.678 0.298 6 0 "[ . 1 . 2]" 1
642 1 62 HIS H 1 62 HIS HB2 3.520 . 3.520 2.820 2.184 3.547 0.027 14 0 "[ . 1 . 2]" 1
643 1 62 HIS H 1 62 HIS HB3 3.600 . 3.600 2.354 2.052 2.661 . 0 0 "[ . 1 . 2]" 1
644 1 62 HIS H 1 63 LEU H 3.810 . 3.810 2.952 2.793 3.186 . 0 0 "[ . 1 . 2]" 1
645 1 62 HIS HA 1 65 ALA H 4.710 . 4.710 3.831 3.353 4.265 . 0 0 "[ . 1 . 2]" 1
646 1 62 HIS HA 1 65 ALA MB 3.780 . 3.780 2.963 2.434 3.687 . 0 0 "[ . 1 . 2]" 1
647 1 62 HIS HB2 1 63 LEU H 4.120 . 4.120 3.843 3.502 4.171 0.051 17 0 "[ . 1 . 2]" 1
648 1 62 HIS HB3 1 63 LEU H 3.520 . 3.520 2.961 2.286 3.697 0.177 4 0 "[ . 1 . 2]" 1
649 1 63 LEU H 1 63 LEU QB 3.260 . 3.260 2.176 2.112 2.286 . 0 0 "[ . 1 . 2]" 1
650 1 63 LEU H 1 63 LEU MD1 4.710 . 4.710 4.119 4.048 4.330 . 0 0 "[ . 1 . 2]" 1
651 1 63 LEU H 1 63 LEU MD2 5.170 . 5.170 4.189 4.094 4.309 . 0 0 "[ . 1 . 2]" 1
652 1 63 LEU H 1 64 GLU H 3.590 . 3.590 2.849 2.294 3.030 . 0 0 "[ . 1 . 2]" 1
653 1 63 LEU HA 1 63 LEU MD1 3.150 . 3.150 2.207 2.146 2.311 . 0 0 "[ . 1 . 2]" 1
654 1 63 LEU HA 1 63 LEU MD2 3.830 . 3.830 3.934 3.916 3.970 0.140 20 0 "[ . 1 . 2]" 1
655 1 63 LEU HA 1 63 LEU HG 3.360 . 3.360 3.107 3.046 3.267 . 0 0 "[ . 1 . 2]" 1
656 1 63 LEU HA 1 66 GLN QB 3.320 . 3.320 2.550 2.198 2.771 . 0 0 "[ . 1 . 2]" 1
657 1 63 LEU HA 1 66 GLN QG 3.440 . 3.440 3.494 3.228 3.602 0.162 6 0 "[ . 1 . 2]" 1
658 1 63 LEU HA 1 67 ASN H 4.240 . 4.240 4.089 3.793 4.284 0.044 9 0 "[ . 1 . 2]" 1
659 1 63 LEU QB 1 63 LEU HG 2.400 . 2.400 2.429 2.410 2.445 0.045 6 0 "[ . 1 . 2]" 1
660 1 63 LEU QB 1 64 GLU H 4.080 . 4.080 2.421 2.321 2.517 . 0 0 "[ . 1 . 2]" 1
661 1 63 LEU MD1 1 67 ASN H 4.510 . 4.510 4.178 3.763 4.490 . 0 0 "[ . 1 . 2]" 1
662 1 63 LEU MD1 1 67 ASN HD21 4.120 . 4.120 3.450 2.465 4.130 0.010 4 0 "[ . 1 . 2]" 1
663 1 63 LEU MD2 1 64 GLU H 4.840 . 4.840 3.958 3.818 4.056 . 0 0 "[ . 1 . 2]" 1
664 1 63 LEU MD2 1 64 GLU HA 4.360 . 4.360 4.446 4.389 4.497 0.137 2 0 "[ . 1 . 2]" 1
665 1 63 LEU MD2 1 67 ASN HD22 4.600 . 4.600 3.540 2.894 4.471 . 0 0 "[ . 1 . 2]" 1
666 1 63 LEU HG 1 64 GLU H 3.550 . 3.550 3.549 3.309 3.620 0.070 10 0 "[ . 1 . 2]" 1
667 1 63 LEU HG 1 64 GLU HA 4.290 . 4.290 3.438 3.142 3.624 . 0 0 "[ . 1 . 2]" 1
668 1 63 LEU HG 1 67 ASN HD21 4.000 . 4.000 2.865 2.334 3.719 . 0 0 "[ . 1 . 2]" 1
669 1 63 LEU HG 1 67 ASN HD22 4.190 . 4.190 2.946 2.374 3.572 . 0 0 "[ . 1 . 2]" 1
670 1 64 GLU H 1 64 GLU HB2 3.140 . 3.140 2.061 1.880 2.195 . 0 0 "[ . 1 . 2]" 1
671 1 64 GLU H 1 64 GLU HB3 3.800 . 3.800 3.170 3.018 3.393 . 0 0 "[ . 1 . 2]" 1
672 1 64 GLU H 1 64 GLU QG 3.470 . 3.470 3.428 2.660 3.635 0.165 11 0 "[ . 1 . 2]" 1
673 1 64 GLU H 1 65 ALA H 3.280 . 3.280 2.893 2.785 2.978 . 0 0 "[ . 1 . 2]" 1
674 1 64 GLU H 1 65 ALA MB 4.440 . 4.440 4.385 4.245 4.531 0.091 10 0 "[ . 1 . 2]" 1
675 1 64 GLU H 1 66 GLN QB 4.620 . 4.620 4.652 4.414 4.817 0.197 20 0 "[ . 1 . 2]" 1
676 1 64 GLU HA 1 64 GLU QG 3.750 . 3.750 2.199 1.992 2.725 . 0 0 "[ . 1 . 2]" 1
677 1 64 GLU HA 1 67 ASN H 3.630 . 3.630 3.459 3.293 3.652 0.022 16 0 "[ . 1 . 2]" 1
678 1 64 GLU HA 1 67 ASN HB2 3.670 . 3.670 2.506 2.406 2.651 . 0 0 "[ . 1 . 2]" 1
679 1 64 GLU HA 1 67 ASN HB3 3.980 . 3.980 4.073 4.027 4.131 0.151 16 0 "[ . 1 . 2]" 1
680 1 64 GLU HA 1 67 ASN HD21 4.650 . 4.650 3.307 2.918 4.090 . 0 0 "[ . 1 . 2]" 1
681 1 64 GLU HB2 1 64 GLU QG 2.650 . 2.650 2.343 2.160 2.571 . 0 0 "[ . 1 . 2]" 1
682 1 64 GLU HB2 1 65 ALA H 3.550 . 3.550 3.309 2.592 3.574 0.024 11 0 "[ . 1 . 2]" 1
683 1 64 GLU HB3 1 65 ALA H 3.880 . 3.880 2.754 2.631 2.873 . 0 0 "[ . 1 . 2]" 1
684 1 64 GLU HB3 1 65 ALA MB 3.640 . 3.640 3.799 3.684 3.862 0.222 3 0 "[ . 1 . 2]" 1
685 1 64 GLU HB3 1 68 LYS QE 3.690 . 3.690 3.675 2.953 3.939 0.249 6 0 "[ . 1 . 2]" 1
686 1 64 GLU HB3 1 68 LYS QG 3.550 . 3.550 3.647 3.507 3.772 0.222 17 0 "[ . 1 . 2]" 1
687 1 64 GLU QG 1 65 ALA H 5.340 . 5.340 4.294 4.136 4.436 . 0 0 "[ . 1 . 2]" 1
688 1 65 ALA H 1 65 ALA MB 2.890 . 2.890 2.090 2.055 2.138 . 0 0 "[ . 1 . 2]" 1
689 1 65 ALA H 1 66 GLN H 3.410 . 3.410 2.765 2.670 2.906 . 0 0 "[ . 1 . 2]" 1
690 1 65 ALA H 1 67 ASN H 4.590 . 4.590 4.248 4.133 4.385 . 0 0 "[ . 1 . 2]" 1
691 1 65 ALA HA 1 68 LYS H 4.010 . 4.010 3.173 2.843 3.399 . 0 0 "[ . 1 . 2]" 1
692 1 65 ALA HA 1 68 LYS QB 3.080 . 3.080 2.544 2.247 2.839 . 0 0 "[ . 1 . 2]" 1
693 1 65 ALA HA 1 68 LYS QG 4.250 . 4.250 2.590 2.098 3.078 . 0 0 "[ . 1 . 2]" 1
694 1 65 ALA MB 1 66 GLN H 3.370 . 3.370 2.556 2.404 2.708 . 0 0 "[ . 1 . 2]" 1
695 1 65 ALA MB 1 66 GLN HA 3.970 . 3.970 4.020 3.967 4.055 0.085 6 0 "[ . 1 . 2]" 1
696 1 65 ALA MB 1 68 LYS QB 3.940 . 3.940 3.904 3.596 4.015 0.075 9 0 "[ . 1 . 2]" 1
697 1 66 GLN H 1 66 GLN QB 3.260 . 3.260 2.065 1.958 2.264 . 0 0 "[ . 1 . 2]" 1
698 1 66 GLN H 1 66 GLN QG 4.100 . 4.100 3.619 2.373 3.955 . 0 0 "[ . 1 . 2]" 1
699 1 66 GLN H 1 67 ASN H 3.470 . 3.470 2.797 2.669 2.863 . 0 0 "[ . 1 . 2]" 1
700 1 66 GLN HA 1 66 GLN QG 3.640 . 3.640 2.953 2.272 3.270 . 0 0 "[ . 1 . 2]" 1
701 1 66 GLN HA 1 68 LYS H 4.790 . 4.790 4.518 3.945 4.717 . 0 0 "[ . 1 . 2]" 1
702 1 66 GLN HA 1 69 ILE H 4.050 . 4.050 3.882 3.488 4.083 0.033 12 0 "[ . 1 . 2]" 1
703 1 66 GLN HA 1 69 ILE MD 3.480 . 3.480 3.415 2.744 3.614 0.134 13 0 "[ . 1 . 2]" 1
704 1 66 GLN HA 1 69 ILE MG 4.790 . 4.790 4.017 3.396 4.637 . 0 0 "[ . 1 . 2]" 1
705 1 66 GLN HA 1 70 LYS QD 4.360 . 4.360 3.639 3.356 3.960 . 0 0 "[ . 1 . 2]" 1
706 1 66 GLN QB 1 67 ASN H 3.500 . 3.500 2.423 2.261 2.755 . 0 0 "[ . 1 . 2]" 1
707 1 66 GLN HE21 1 70 LYS QD 4.710 . 4.710 4.295 2.185 4.833 0.123 13 0 "[ . 1 . 2]" 1
708 1 67 ASN H 1 67 ASN HB2 3.270 . 3.270 2.212 2.110 2.357 . 0 0 "[ . 1 . 2]" 1
709 1 67 ASN H 1 67 ASN HB3 3.730 . 3.730 3.497 3.429 3.562 . 0 0 "[ . 1 . 2]" 1
710 1 67 ASN H 1 68 LYS H 3.440 . 3.440 2.804 2.732 2.912 . 0 0 "[ . 1 . 2]" 1
711 1 67 ASN HA 1 68 LYS H 3.570 . 3.570 3.554 3.390 3.594 0.024 15 0 "[ . 1 . 2]" 1
712 1 67 ASN HA 1 70 LYS H 4.030 . 4.030 3.394 3.114 3.720 . 0 0 "[ . 1 . 2]" 1
713 1 67 ASN HA 1 70 LYS QB 3.300 . 3.300 2.708 2.164 3.272 . 0 0 "[ . 1 . 2]" 1
714 1 67 ASN HB2 1 67 ASN HD21 3.550 . 3.550 2.432 2.249 2.786 . 0 0 "[ . 1 . 2]" 1
715 1 67 ASN HB2 1 67 ASN HD22 3.890 . 3.890 3.596 3.522 3.751 . 0 0 "[ . 1 . 2]" 1
716 1 67 ASN HB2 1 68 LYS H 3.960 . 3.960 2.939 2.657 3.616 . 0 0 "[ . 1 . 2]" 1
717 1 67 ASN HB3 1 67 ASN HD22 3.960 . 3.960 3.775 3.548 4.079 0.119 9 0 "[ . 1 . 2]" 1
718 1 67 ASN HB3 1 68 LYS H 4.210 . 4.210 3.599 3.267 4.135 . 0 0 "[ . 1 . 2]" 1
719 1 68 LYS H 1 68 LYS QB 3.090 . 3.090 2.477 2.366 2.703 . 0 0 "[ . 1 . 2]" 1
720 1 68 LYS H 1 68 LYS QD 4.760 . 4.760 3.737 2.803 4.305 . 0 0 "[ . 1 . 2]" 1
721 1 68 LYS H 1 68 LYS QG 3.920 . 3.920 2.346 2.163 2.537 . 0 0 "[ . 1 . 2]" 1
722 1 68 LYS H 1 69 ILE H 3.490 . 3.490 2.924 2.619 3.081 . 0 0 "[ . 1 . 2]" 1
723 1 68 LYS HA 1 68 LYS QD 3.590 . 3.590 2.703 2.138 3.713 0.123 4 0 "[ . 1 . 2]" 1
724 1 68 LYS HA 1 68 LYS QG 3.630 . 3.630 2.838 2.254 3.299 . 0 0 "[ . 1 . 2]" 1
725 1 68 LYS QB 1 68 LYS QD 3.440 . 3.440 2.331 2.050 2.617 . 0 0 "[ . 1 . 2]" 1
726 1 68 LYS QB 1 68 LYS QE 3.640 . 3.640 3.652 3.281 3.739 0.099 18 0 "[ . 1 . 2]" 1
727 1 68 LYS QB 1 69 ILE H 3.530 . 3.530 2.399 2.174 2.623 . 0 0 "[ . 1 . 2]" 1
728 1 68 LYS QB 1 69 ILE HG13 4.090 . 4.090 3.471 2.945 3.921 . 0 0 "[ . 1 . 2]" 1
729 1 68 LYS QE 1 68 LYS QG 3.420 . 3.420 2.191 2.060 2.398 . 0 0 "[ . 1 . 2]" 1
730 1 69 ILE H 1 69 ILE HB 3.260 . 3.260 2.206 2.045 2.340 . 0 0 "[ . 1 . 2]" 1
731 1 69 ILE H 1 69 ILE MD 4.120 . 4.120 3.539 3.107 4.084 . 0 0 "[ . 1 . 2]" 1
732 1 69 ILE H 1 69 ILE HG12 3.170 . 3.170 3.399 3.190 3.500 0.330 11 0 "[ . 1 . 2]" 1
733 1 69 ILE H 1 69 ILE HG13 3.710 . 3.710 2.333 2.145 2.762 . 0 0 "[ . 1 . 2]" 1
734 1 69 ILE H 1 69 ILE MG 3.960 . 3.960 3.626 3.545 3.676 . 0 0 "[ . 1 . 2]" 1
735 1 69 ILE H 1 70 LYS H 3.420 . 3.420 3.070 2.947 3.207 . 0 0 "[ . 1 . 2]" 1
736 1 69 ILE HA 1 69 ILE MD 4.150 . 4.150 3.754 3.477 3.847 . 0 0 "[ . 1 . 2]" 1
737 1 69 ILE HA 1 69 ILE HG12 3.710 . 3.710 2.305 2.081 2.546 . 0 0 "[ . 1 . 2]" 1
738 1 69 ILE HA 1 69 ILE HG13 4.070 . 4.070 2.849 2.574 3.249 . 0 0 "[ . 1 . 2]" 1
739 1 69 ILE HA 1 69 ILE MG 3.360 . 3.360 2.533 2.347 2.650 . 0 0 "[ . 1 . 2]" 1
740 1 69 ILE HA 1 72 ALA MB 3.750 . 3.750 3.323 2.940 3.747 . 0 0 "[ . 1 . 2]" 1
741 1 69 ILE HA 1 76 LEU MD1 3.640 . 3.640 2.026 1.905 2.258 . 0 0 "[ . 1 . 2]" 1
742 1 69 ILE HA 1 76 LEU MD2 4.620 . 4.620 2.864 2.345 3.203 . 0 0 "[ . 1 . 2]" 1
743 1 69 ILE HB 1 69 ILE MD 3.450 . 3.450 2.511 2.315 2.840 . 0 0 "[ . 1 . 2]" 1
744 1 69 ILE HB 1 70 LYS H 3.710 . 3.710 2.711 2.570 2.828 . 0 0 "[ . 1 . 2]" 1
745 1 69 ILE HB 1 70 LYS QD 3.600 . 3.600 3.130 2.845 3.287 . 0 0 "[ . 1 . 2]" 1
746 1 69 ILE HB 1 70 LYS QE 4.530 . 4.530 4.484 3.699 4.646 0.116 13 0 "[ . 1 . 2]" 1
747 1 69 ILE HG13 1 69 ILE MG 3.520 . 3.520 3.233 3.154 3.271 . 0 0 "[ . 1 . 2]" 1
748 1 69 ILE HG13 1 76 LEU MD2 3.930 . 3.930 3.865 3.401 4.038 0.108 10 0 "[ . 1 . 2]" 1
749 1 69 ILE MG 1 70 LYS H 4.100 . 4.100 2.945 2.724 3.167 . 0 0 "[ . 1 . 2]" 1
750 1 69 ILE MG 1 70 LYS HA 4.330 . 4.330 3.074 2.852 3.332 . 0 0 "[ . 1 . 2]" 1
751 1 69 ILE MG 1 76 LEU MD1 3.630 . 3.630 3.032 2.644 3.682 0.052 19 0 "[ . 1 . 2]" 1
752 1 69 ILE MG 1 76 LEU MD2 3.630 . 3.630 1.984 1.844 2.399 . 0 0 "[ . 1 . 2]" 1
753 1 70 LYS H 1 70 LYS QB 3.240 . 3.240 2.070 1.995 2.157 . 0 0 "[ . 1 . 2]" 1
754 1 70 LYS H 1 70 LYS QD 4.170 . 4.170 2.597 2.300 2.759 . 0 0 "[ . 1 . 2]" 1
755 1 70 LYS H 1 70 LYS QE 4.700 . 4.700 4.482 3.214 4.710 0.010 12 0 "[ . 1 . 2]" 1
756 1 70 LYS H 1 70 LYS HG2 4.100 . 4.100 4.088 3.968 4.218 0.118 20 0 "[ . 1 . 2]" 1
757 1 70 LYS H 1 70 LYS HG3 4.540 . 4.540 4.144 3.824 4.292 . 0 0 "[ . 1 . 2]" 1
758 1 70 LYS H 1 71 SER H 3.510 . 3.510 2.925 2.840 3.058 . 0 0 "[ . 1 . 2]" 1
759 1 70 LYS HA 1 70 LYS HG2 3.900 . 3.900 3.628 3.464 3.699 . 0 0 "[ . 1 . 2]" 1
760 1 70 LYS HA 1 70 LYS HG3 4.060 . 4.060 2.483 2.164 2.661 . 0 0 "[ . 1 . 2]" 1
761 1 70 LYS QB 1 71 SER H 4.290 . 4.290 3.546 3.312 3.676 . 0 0 "[ . 1 . 2]" 1
762 1 70 LYS QD 1 70 LYS HG2 2.550 . 2.550 2.433 2.330 2.543 . 0 0 "[ . 1 . 2]" 1
763 1 70 LYS QD 1 76 LEU MD2 4.530 . 4.530 4.647 4.507 4.745 0.215 20 0 "[ . 1 . 2]" 1
764 1 71 SER H 1 71 SER HB3 3.810 . 3.810 3.037 2.495 3.782 . 0 0 "[ . 1 . 2]" 1
765 1 71 SER H 1 72 ALA H 4.390 . 4.390 2.165 2.033 2.285 . 0 0 "[ . 1 . 2]" 1
766 1 71 SER H 1 72 ALA MB 3.420 . 3.420 3.588 3.527 3.654 0.234 15 0 "[ . 1 . 2]" 1
767 1 71 SER HA 1 72 ALA H 3.260 . 3.260 3.325 3.220 3.424 0.164 16 0 "[ . 1 . 2]" 1
768 1 71 SER HB3 1 72 ALA H 4.780 . 4.780 3.920 2.735 4.587 . 0 0 "[ . 1 . 2]" 1
769 1 72 ALA H 1 72 ALA MB 3.240 . 3.240 2.208 2.107 2.319 . 0 0 "[ . 1 . 2]" 1
770 1 72 ALA H 1 76 LEU MD1 4.740 . 4.740 3.712 3.401 4.081 . 0 0 "[ . 1 . 2]" 1
771 1 72 ALA MB 1 75 ASN HD21 4.120 . 4.120 4.224 4.119 4.336 0.216 18 0 "[ . 1 . 2]" 1
772 1 72 ALA MB 1 76 LEU HB2 4.160 . 4.160 2.307 2.052 2.569 . 0 0 "[ . 1 . 2]" 1
773 1 72 ALA MB 1 76 LEU HB3 3.900 . 3.900 3.763 3.520 4.032 0.132 18 0 "[ . 1 . 2]" 1
774 1 72 ALA MB 1 76 LEU MD1 2.860 . 2.860 2.014 1.923 2.182 . 0 0 "[ . 1 . 2]" 1
775 1 72 ALA MB 1 76 LEU MD2 4.160 . 4.160 2.980 2.295 3.360 . 0 0 "[ . 1 . 2]" 1
776 1 74 TYR HA 1 74 TYR QD 3.660 . 3.660 2.740 2.219 3.684 0.024 5 0 "[ . 1 . 2]" 1
777 1 74 TYR QB 1 75 ASN H 4.040 . 4.040 2.642 2.308 3.558 . 0 0 "[ . 1 . 2]" 1
778 1 75 ASN HA 1 76 LEU H 3.140 . 3.140 2.097 1.949 2.214 . 0 0 "[ . 1 . 2]" 1
779 1 75 ASN HB2 1 76 LEU H 3.970 . 3.970 3.501 2.866 4.198 0.228 10 0 "[ . 1 . 2]" 1
780 1 75 ASN HB3 1 75 ASN HD22 4.140 . 4.140 3.963 3.494 4.150 0.010 16 0 "[ . 1 . 2]" 1
781 1 75 ASN HB3 1 76 LEU H 4.100 . 4.100 4.103 3.851 4.371 0.271 20 0 "[ . 1 . 2]" 1
782 1 76 LEU H 1 76 LEU HB2 3.770 . 3.770 3.050 2.785 3.509 . 0 0 "[ . 1 . 2]" 1
783 1 76 LEU H 1 76 LEU HB3 4.090 . 4.090 2.524 2.258 2.946 . 0 0 "[ . 1 . 2]" 1
784 1 76 LEU H 1 76 LEU MD1 4.630 . 4.630 4.384 4.266 4.487 . 0 0 "[ . 1 . 2]" 1
785 1 76 LEU H 1 76 LEU HG 4.920 . 4.920 4.393 4.267 4.506 . 0 0 "[ . 1 . 2]" 1
786 1 76 LEU HA 1 76 LEU MD1 3.240 . 3.240 2.177 2.053 2.271 . 0 0 "[ . 1 . 2]" 1
787 1 76 LEU HA 1 77 SER H 3.010 . 3.010 2.239 2.183 2.288 . 0 0 "[ . 1 . 2]" 1
788 1 76 LEU HB2 1 76 LEU MD2 3.670 . 3.670 2.426 2.295 2.489 . 0 0 "[ . 1 . 2]" 1
789 1 76 LEU HB3 1 77 SER H 4.650 . 4.650 4.514 4.354 4.609 . 0 0 "[ . 1 . 2]" 1
790 1 76 LEU MD1 1 77 SER H 3.610 . 3.610 2.962 2.469 3.323 . 0 0 "[ . 1 . 2]" 1
791 1 76 LEU MD2 1 78 LEU MD2 3.610 . 3.610 2.572 2.293 2.976 . 0 0 "[ . 1 . 2]" 1
792 1 76 LEU HG 1 77 SER H 4.200 . 4.200 3.860 3.418 4.214 0.014 20 0 "[ . 1 . 2]" 1
793 1 76 LEU HG 1 78 LEU H 4.380 . 4.380 4.221 3.886 4.407 0.027 5 0 "[ . 1 . 2]" 1
794 1 76 LEU HG 1 78 LEU MD2 3.640 . 3.640 2.022 1.871 2.135 . 0 0 "[ . 1 . 2]" 1
795 1 76 LEU HG 1 78 LEU HG 3.680 . 3.680 3.827 3.707 3.903 0.223 14 0 "[ . 1 . 2]" 1
796 1 77 SER H 1 77 SER QB 3.870 . 3.870 2.411 2.197 2.528 . 0 0 "[ . 1 . 2]" 1
797 1 77 SER HA 1 78 LEU H 3.010 . 3.010 2.175 2.124 2.248 . 0 0 "[ . 1 . 2]" 1
798 1 77 SER QB 1 78 LEU H 4.310 . 4.310 3.760 3.162 4.057 . 0 0 "[ . 1 . 2]" 1
799 1 78 LEU H 1 78 LEU HB2 3.830 . 3.830 2.584 2.286 2.719 . 0 0 "[ . 1 . 2]" 1
800 1 78 LEU H 1 78 LEU MD1 4.420 . 4.420 3.555 3.129 4.493 0.073 5 0 "[ . 1 . 2]" 1
801 1 78 LEU H 1 78 LEU MD2 4.410 . 4.410 2.341 2.107 2.942 . 0 0 "[ . 1 . 2]" 1
802 1 78 LEU H 1 78 LEU HG 4.060 . 4.060 4.057 3.690 4.172 0.112 13 0 "[ . 1 . 2]" 1
803 1 78 LEU HA 1 78 LEU MD1 3.250 . 3.250 2.471 2.305 2.945 . 0 0 "[ . 1 . 2]" 1
804 1 78 LEU HA 1 78 LEU HG 4.010 . 4.010 3.822 3.777 3.857 . 0 0 "[ . 1 . 2]" 1
805 1 78 LEU HA 1 79 THR H 3.050 . 3.050 2.229 2.139 2.327 . 0 0 "[ . 1 . 2]" 1
806 1 78 LEU HB2 1 78 LEU MD2 3.380 . 3.380 2.428 2.245 2.992 . 0 0 "[ . 1 . 2]" 1
807 1 78 LEU HB2 1 79 THR H 3.870 . 3.870 3.981 3.909 4.091 0.221 20 0 "[ . 1 . 2]" 1
808 1 78 LEU HB3 1 78 LEU MD1 3.410 . 3.410 2.433 2.097 2.576 . 0 0 "[ . 1 . 2]" 1
809 1 78 LEU HB3 1 78 LEU MD2 3.420 . 3.420 3.245 3.180 3.272 . 0 0 "[ . 1 . 2]" 1
810 1 78 LEU HB3 1 79 THR H 3.810 . 3.810 3.032 2.730 3.231 . 0 0 "[ . 1 . 2]" 1
811 1 78 LEU MD1 1 79 THR H 4.050 . 4.050 3.830 3.097 4.066 0.016 2 0 "[ . 1 . 2]" 1
812 1 79 THR H 1 79 THR HB 3.430 . 3.430 2.722 2.662 2.839 . 0 0 "[ . 1 . 2]" 1
813 1 79 THR H 1 79 THR MG 3.640 . 3.640 3.863 3.837 3.905 0.265 16 0 "[ . 1 . 2]" 1
814 1 79 THR H 1 80 LEU MD2 4.010 . 4.010 3.927 3.710 4.040 0.030 17 0 "[ . 1 . 2]" 1
815 1 79 THR HA 1 79 THR MG 3.330 . 3.330 2.282 2.199 2.370 . 0 0 "[ . 1 . 2]" 1
816 1 79 THR HA 1 80 LEU H 3.110 . 3.110 2.258 2.208 2.294 . 0 0 "[ . 1 . 2]" 1
817 1 79 THR MG 1 80 LEU H 3.480 . 3.480 3.061 2.968 3.215 . 0 0 "[ . 1 . 2]" 1
818 1 80 LEU H 1 80 LEU MD1 3.670 . 3.670 4.002 3.973 4.040 0.370 8 0 "[ . 1 . 2]" 1
819 1 80 LEU H 1 80 LEU MD2 3.370 . 3.370 1.710 1.679 1.739 0.121 20 0 "[ . 1 . 2]" 1
820 1 80 LEU H 1 80 LEU HG 4.140 . 4.140 3.210 3.047 3.361 . 0 0 "[ . 1 . 2]" 1
821 1 80 LEU HA 1 80 LEU MD1 3.950 . 3.950 4.052 4.016 4.091 0.141 1 0 "[ . 1 . 2]" 1
822 1 80 LEU HA 1 80 LEU MD2 3.410 . 3.410 3.477 3.456 3.497 0.087 8 0 "[ . 1 . 2]" 1
823 1 80 LEU HA 1 80 LEU HG 3.790 . 3.790 3.678 3.645 3.713 . 0 0 "[ . 1 . 2]" 1
824 1 80 LEU HA 1 81 GLN H 3.010 . 3.010 2.484 2.369 2.639 . 0 0 "[ . 1 . 2]" 1
825 1 80 LEU QB 1 80 LEU MD1 2.730 . 2.730 2.029 1.994 2.061 . 0 0 "[ . 1 . 2]" 1
826 1 80 LEU QB 1 80 LEU MD2 2.760 . 2.760 2.154 2.079 2.202 . 0 0 "[ . 1 . 2]" 1
827 1 80 LEU QB 1 81 GLN H 3.420 . 3.420 2.403 2.331 2.461 . 0 0 "[ . 1 . 2]" 1
828 1 80 LEU MD1 1 81 GLN H 3.970 . 3.970 4.019 3.934 4.106 0.136 4 0 "[ . 1 . 2]" 1
829 1 80 LEU MD2 1 81 GLN H 4.480 . 4.480 4.399 4.242 4.534 0.054 4 0 "[ . 1 . 2]" 1
830 1 81 GLN HA 1 82 LYS H 2.870 . 2.870 2.323 2.110 2.476 . 0 0 "[ . 1 . 2]" 1
831 1 81 GLN QB 1 82 LYS H 3.170 . 3.170 2.638 2.261 3.223 0.053 13 0 "[ . 1 . 2]" 1
832 1 81 GLN QB 1 83 SER H 4.240 . 4.240 3.631 2.145 4.443 0.203 2 0 "[ . 1 . 2]" 1
833 1 82 LYS H 1 82 LYS QD 3.320 . 3.320 3.415 2.262 3.603 0.283 10 0 "[ . 1 . 2]" 1
834 1 82 LYS HA 1 82 LYS QD 3.140 . 3.140 2.226 1.942 2.974 . 0 0 "[ . 1 . 2]" 1
835 1 82 LYS HA 1 82 LYS QE 2.990 . 2.990 2.836 2.254 3.394 0.404 9 0 "[ . 1 . 2]" 1
836 1 82 LYS HA 1 83 SER H 3.150 . 3.150 2.511 2.029 3.408 0.258 1 0 "[ . 1 . 2]" 1
837 1 82 LYS QD 1 83 SER H 4.570 . 4.570 4.347 3.697 4.779 0.209 20 0 "[ . 1 . 2]" 1
838 1 82 LYS QE 1 82 LYS QG 3.480 . 3.480 2.475 2.117 2.955 . 0 0 "[ . 1 . 2]" 1
839 1 83 SER H 1 83 SER QB 3.510 . 3.510 2.712 2.153 3.494 . 0 0 "[ . 1 . 2]" 1
840 1 83 SER QB 1 84 LYS H 4.760 . 4.760 3.125 1.927 4.096 . 0 0 "[ . 1 . 2]" 1
841 1 84 LYS H 1 84 LYS QD 4.940 . 4.940 3.944 2.626 4.956 0.016 18 0 "[ . 1 . 2]" 1
842 1 84 LYS H 1 84 LYS QG 4.690 . 4.690 3.245 1.935 4.166 . 0 0 "[ . 1 . 2]" 1
843 1 84 LYS HA 1 85 ARG H 3.230 . 3.230 2.208 2.051 2.326 . 0 0 "[ . 1 . 2]" 1
844 1 84 LYS HB3 1 85 ARG HA 4.310 . 4.310 4.258 3.702 4.445 0.135 13 0 "[ . 1 . 2]" 1
845 1 85 ARG H 1 85 ARG QG 4.440 . 4.440 3.647 2.214 4.284 . 0 0 "[ . 1 . 2]" 1
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