NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590838 |
2mps   |
18876 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mps
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 1613
_Distance_constraint_stats_list.Viol_count 3158
_Distance_constraint_stats_list.Viol_total 2801.915
_Distance_constraint_stats_list.Viol_max 0.282
_Distance_constraint_stats_list.Viol_rms 0.0182
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0444
_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 5 SER 0.503 0.191 11 0 "[ . 1 . 2]"
1 6 VAL 1.509 0.191 11 0 "[ . 1 . 2]"
1 7 PRO 1.005 0.061 1 0 "[ . 1 . 2]"
1 8 THR 0.332 0.085 11 0 "[ . 1 . 2]"
1 9 ASP 0.553 0.140 7 0 "[ . 1 . 2]"
1 10 GLY 0.223 0.140 7 0 "[ . 1 . 2]"
1 11 ALA 0.302 0.212 16 0 "[ . 1 . 2]"
1 12 VAL 0.462 0.212 16 0 "[ . 1 . 2]"
1 13 THR 0.133 0.032 6 0 "[ . 1 . 2]"
1 16 GLN 0.108 0.047 3 0 "[ . 1 . 2]"
1 17 ILE 1.006 0.101 20 0 "[ . 1 . 2]"
1 18 PRO 1.518 0.168 7 0 "[ . 1 . 2]"
1 19 ALA 0.631 0.168 7 0 "[ . 1 . 2]"
1 20 SER 0.389 0.107 13 0 "[ . 1 . 2]"
1 21 GLU 0.706 0.158 14 0 "[ . 1 . 2]"
1 22 GLN 0.317 0.158 14 0 "[ . 1 . 2]"
1 24 THR 0.265 0.065 18 0 "[ . 1 . 2]"
1 25 LEU 2.586 0.243 4 0 "[ . 1 . 2]"
1 26 VAL 1.523 0.107 11 0 "[ . 1 . 2]"
1 27 ARG 3.087 0.167 5 0 "[ . 1 . 2]"
1 30 PRO 1.559 0.081 7 0 "[ . 1 . 2]"
1 31 LEU 1.631 0.081 7 0 "[ . 1 . 2]"
1 32 LEU 0.895 0.050 18 0 "[ . 1 . 2]"
1 33 LEU 2.666 0.133 2 0 "[ . 1 . 2]"
1 34 LYS 1.405 0.206 3 0 "[ . 1 . 2]"
1 35 LEU 2.730 0.164 15 0 "[ . 1 . 2]"
1 36 LEU 1.078 0.093 17 0 "[ . 1 . 2]"
1 37 LYS 1.817 0.083 18 0 "[ . 1 . 2]"
1 38 SER 1.394 0.083 18 0 "[ . 1 . 2]"
1 39 VAL 1.567 0.168 16 0 "[ . 1 . 2]"
1 40 GLY 0.139 0.036 15 0 "[ . 1 . 2]"
1 41 ALA 2.573 0.168 16 0 "[ . 1 . 2]"
1 42 GLN 1.142 0.098 16 0 "[ . 1 . 2]"
1 43 LYS 2.048 0.127 19 0 "[ . 1 . 2]"
1 44 ASP 0.015 0.015 2 0 "[ . 1 . 2]"
1 45 THR 4.451 0.159 8 0 "[ . 1 . 2]"
1 46 TYR 1.995 0.159 8 0 "[ . 1 . 2]"
1 47 THR 1.256 0.149 12 0 "[ . 1 . 2]"
1 48 MET 5.909 0.171 6 0 "[ . 1 . 2]"
1 49 LYS 2.366 0.245 19 0 "[ . 1 . 2]"
1 50 GLU 0.940 0.097 5 0 "[ . 1 . 2]"
1 51 VAL 6.334 0.185 17 0 "[ . 1 . 2]"
1 52 LEU 8.215 0.265 8 0 "[ . 1 . 2]"
1 53 PHE 2.406 0.124 8 0 "[ . 1 . 2]"
1 54 TYR 4.266 0.164 15 0 "[ . 1 . 2]"
1 55 LEU 7.188 0.185 17 0 "[ . 1 . 2]"
1 56 GLY 0.972 0.067 12 0 "[ . 1 . 2]"
1 57 GLN 2.620 0.097 16 0 "[ . 1 . 2]"
1 58 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 7.173 0.252 8 0 "[ . 1 . 2]"
1 60 MET 3.451 0.105 10 0 "[ . 1 . 2]"
1 61 THR 2.918 0.106 17 0 "[ . 1 . 2]"
1 62 LYS 3.473 0.157 8 0 "[ . 1 . 2]"
1 63 ARG 4.468 0.157 8 0 "[ . 1 . 2]"
1 64 LEU 0.873 0.097 12 0 "[ . 1 . 2]"
1 65 TYR 2.103 0.084 12 0 "[ . 1 . 2]"
1 66 ASP 2.461 0.101 12 0 "[ . 1 . 2]"
1 67 GLU 1.030 0.105 10 0 "[ . 1 . 2]"
1 68 LYS 4.825 0.184 12 0 "[ . 1 . 2]"
1 69 GLN 4.126 0.141 6 0 "[ . 1 . 2]"
1 70 GLN 0.341 0.100 3 0 "[ . 1 . 2]"
1 71 HIS 2.118 0.123 19 0 "[ . 1 . 2]"
1 72 ILE 3.196 0.109 16 0 "[ . 1 . 2]"
1 73 VAL 1.258 0.105 12 0 "[ . 1 . 2]"
1 74 TYR 2.310 0.126 18 0 "[ . 1 . 2]"
1 75 CYS 0.567 0.091 17 0 "[ . 1 . 2]"
1 76 SER 0.547 0.091 17 0 "[ . 1 . 2]"
1 77 ASN 0.656 0.099 16 0 "[ . 1 . 2]"
1 78 ASP 0.524 0.070 4 0 "[ . 1 . 2]"
1 79 LEU 1.880 0.282 6 0 "[ . 1 . 2]"
1 80 LEU 3.832 0.189 7 0 "[ . 1 . 2]"
1 81 GLY 0.284 0.089 6 0 "[ . 1 . 2]"
1 82 ASP 0.730 0.089 20 0 "[ . 1 . 2]"
1 83 LEU 6.394 0.223 20 0 "[ . 1 . 2]"
1 84 PHE 3.233 0.168 19 0 "[ . 1 . 2]"
1 85 GLY 3.463 0.168 19 0 "[ . 1 . 2]"
1 86 VAL 3.369 0.122 6 0 "[ . 1 . 2]"
1 87 PRO 0.309 0.041 12 0 "[ . 1 . 2]"
1 88 SER 1.158 0.122 6 0 "[ . 1 . 2]"
1 89 PHE 6.718 0.252 8 0 "[ . 1 . 2]"
1 90 SER 1.413 0.149 14 0 "[ . 1 . 2]"
1 91 VAL 1.797 0.157 10 0 "[ . 1 . 2]"
1 92 LYS 1.642 0.115 14 0 "[ . 1 . 2]"
1 93 GLU 4.825 0.205 20 0 "[ . 1 . 2]"
1 94 HIS 5.304 0.205 20 0 "[ . 1 . 2]"
1 95 ARG 0.153 0.070 18 0 "[ . 1 . 2]"
1 96 LYS 2.257 0.171 1 0 "[ . 1 . 2]"
1 97 ILE 2.105 0.117 14 0 "[ . 1 . 2]"
1 98 TYR 3.235 0.077 17 0 "[ . 1 . 2]"
1 99 THR 2.921 0.151 20 0 "[ . 1 . 2]"
1 100 MET 3.687 0.149 14 0 "[ . 1 . 2]"
1 101 ILE 3.139 0.089 16 0 "[ . 1 . 2]"
1 102 TYR 3.639 0.084 18 0 "[ . 1 . 2]"
1 103 ARG 1.103 0.065 7 0 "[ . 1 . 2]"
1 104 ASN 4.508 0.160 6 0 "[ . 1 . 2]"
1 105 LEU 4.367 0.176 19 0 "[ . 1 . 2]"
1 106 VAL 3.949 0.167 5 0 "[ . 1 . 2]"
1 107 VAL 3.554 0.183 3 0 "[ . 1 . 2]"
2 1 ASP 1.820 0.253 6 0 "[ . 1 . 2]"
2 2 GLY 2.762 0.253 6 0 "[ . 1 . 2]"
2 3 GLY 0.797 0.206 9 0 "[ . 1 . 2]"
2 4 THR 0.509 0.092 1 0 "[ . 1 . 2]"
2 5 THR 0.558 0.246 18 0 "[ . 1 . 2]"
2 6 PHE 1.919 0.157 10 0 "[ . 1 . 2]"
2 7 GLU 0.516 0.087 9 0 "[ . 1 . 2]"
2 8 HIS 2.803 0.126 8 0 "[ . 1 . 2]"
2 9 LEU 3.795 0.126 8 0 "[ . 1 . 2]"
2 10 TRP 4.578 0.112 9 0 "[ . 1 . 2]"
2 11 SER 1.089 0.080 16 0 "[ . 1 . 2]"
2 12 SER 1.502 0.075 13 0 "[ . 1 . 2]"
2 13 LEU 4.651 0.166 17 0 "[ . 1 . 2]"
2 14 GLU 3.668 0.173 15 0 "[ . 1 . 2]"
2 15 PRO 3.564 0.173 15 0 "[ . 1 . 2]"
2 16 ASP 1.882 0.150 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 45 THR HB 1 46 TYR HA 4.070 . 4.070 4.085 4.025 4.138 0.068 11 0 "[ . 1 . 2]" 1
2 1 25 LEU MD1 1 45 THR HB 4.030 . 4.030 2.423 2.050 3.413 . 0 0 "[ . 1 . 2]" 1
3 1 25 LEU MD2 1 45 THR HB 4.030 . 4.030 2.557 2.162 3.362 . 0 0 "[ . 1 . 2]" 1
4 1 25 LEU HA 1 45 THR HB 5.000 . 5.000 4.195 3.572 4.913 . 0 0 "[ . 1 . 2]" 1
5 1 25 LEU HG 1 45 THR HB 4.940 . 4.940 4.367 1.885 4.952 0.012 8 0 "[ . 1 . 2]" 1
6 1 51 VAL HA 1 51 VAL MG1 3.540 . 3.540 2.473 2.208 3.223 . 0 0 "[ . 1 . 2]" 1
7 1 51 VAL HA 1 51 VAL MG2 3.540 . 3.540 2.501 2.345 2.638 . 0 0 "[ . 1 . 2]" 1
8 1 51 VAL HA 1 54 TYR QD 5.000 . 5.000 3.805 3.213 4.382 . 0 0 "[ . 1 . 2]" 1
9 1 99 THR HA 1 102 TYR QE 5.000 . 5.000 4.087 3.947 4.230 . 0 0 "[ . 1 . 2]" 1
10 1 99 THR HA 1 103 ARG H 4.900 . 4.900 3.642 3.536 3.749 . 0 0 "[ . 1 . 2]" 1
11 1 30 PRO HA 1 33 LEU MD2 5.000 . 5.000 3.846 2.673 4.831 . 0 0 "[ . 1 . 2]" 1
12 1 30 PRO HA 1 33 LEU MD1 5.000 . 5.000 3.358 1.965 4.877 . 0 0 "[ . 1 . 2]" 1
13 1 99 THR HA 1 99 THR MG 3.710 . 3.710 2.220 2.182 2.260 . 0 0 "[ . 1 . 2]" 1
14 1 101 ILE HA 1 104 ASN HB3 5.000 . 5.000 4.698 4.256 5.033 0.033 3 0 "[ . 1 . 2]" 1
15 1 101 ILE HA 1 101 ILE HG13 4.170 . 4.170 2.929 2.880 3.008 . 0 0 "[ . 1 . 2]" 1
16 1 101 ILE HA 1 101 ILE MG 3.100 . 3.100 2.418 2.380 2.439 . 0 0 "[ . 1 . 2]" 1
17 1 60 MET QB 1 61 THR HA 4.340 . 4.340 3.826 3.494 4.058 . 0 0 "[ . 1 . 2]" 1
18 1 59 ILE HA 1 59 ILE MD 4.130 . 4.130 3.886 3.846 3.927 . 0 0 "[ . 1 . 2]" 1
19 1 97 ILE HA 1 97 ILE HG13 4.210 . 4.210 3.801 3.745 3.853 . 0 0 "[ . 1 . 2]" 1
20 1 59 ILE HA 1 64 LEU HB2 3.960 . 3.960 2.755 2.396 3.316 . 0 0 "[ . 1 . 2]" 1
21 1 59 ILE HA 1 65 TYR QD 5.000 . 5.000 4.681 4.464 5.004 0.004 11 0 "[ . 1 . 2]" 1
22 1 74 TYR HA 1 88 SER HB2 4.790 . 4.790 2.952 1.999 4.038 . 0 0 "[ . 1 . 2]" 1
23 1 74 TYR HA 1 88 SER HB3 4.790 . 4.790 2.546 2.062 4.021 . 0 0 "[ . 1 . 2]" 1
24 1 72 ILE MG 1 88 SER HB2 5.000 . 5.000 3.758 2.625 4.646 . 0 0 "[ . 1 . 2]" 1
25 1 89 PHE QE 1 91 VAL HA 4.880 . 4.880 3.352 2.358 4.842 . 0 0 "[ . 1 . 2]" 1
26 1 107 VAL HA 1 107 VAL MG1 2.950 . 2.950 2.254 2.199 2.372 . 0 0 "[ . 1 . 2]" 1
27 1 107 VAL HA 1 107 VAL MG2 2.950 . 2.950 3.052 2.474 3.133 0.183 3 0 "[ . 1 . 2]" 1
28 1 5 SER HA 1 5 SER QB 2.450 . 2.450 2.339 2.201 2.404 . 0 0 "[ . 1 . 2]" 1
29 1 54 TYR HA 1 54 TYR QD 3.780 . 3.780 2.593 2.236 2.968 . 0 0 "[ . 1 . 2]" 1
30 1 54 TYR HA 1 54 TYR QE 5.000 . 5.000 4.468 4.360 4.621 . 0 0 "[ . 1 . 2]" 1
31 1 48 MET ME 1 98 TYR HA 4.890 . 4.890 2.035 1.888 2.192 . 0 0 "[ . 1 . 2]" 1
32 1 98 TYR HA 1 101 ILE HB 4.610 . 4.610 3.144 2.996 3.221 . 0 0 "[ . 1 . 2]" 1
33 1 8 THR HA 1 8 THR MG 2.800 . 2.800 2.308 2.195 2.393 . 0 0 "[ . 1 . 2]" 1
34 1 13 THR HA 1 13 THR MG 3.390 . 3.390 2.357 2.151 3.256 . 0 0 "[ . 1 . 2]" 1
35 1 47 THR HA 1 47 THR MG 3.590 . 3.590 2.339 2.265 2.452 . 0 0 "[ . 1 . 2]" 1
36 1 39 VAL HA 1 57 GLN QB 4.400 . 4.400 4.163 3.996 4.387 . 0 0 "[ . 1 . 2]" 1
37 1 101 ILE MG 1 102 TYR HA 3.670 . 3.670 3.514 3.381 3.601 . 0 0 "[ . 1 . 2]" 1
38 1 49 LYS HA 1 52 LEU H 5.000 . 5.000 3.500 3.086 4.061 . 0 0 "[ . 1 . 2]" 1
39 1 99 THR HB 1 100 MET HA 4.830 . 4.830 4.413 4.302 4.589 . 0 0 "[ . 1 . 2]" 1
40 1 100 MET HA 1 103 ARG QD 3.940 . 3.940 3.484 2.811 3.941 0.001 17 0 "[ . 1 . 2]" 1
41 1 49 LYS HA 1 52 LEU MD2 4.480 . 4.480 3.545 2.255 4.385 . 0 0 "[ . 1 . 2]" 1
42 1 100 MET HA 1 103 ARG QB 3.650 . 3.650 2.862 2.457 3.160 . 0 0 "[ . 1 . 2]" 1
43 1 100 MET HA 1 100 MET ME 4.390 . 4.390 4.189 3.853 4.432 0.042 3 0 "[ . 1 . 2]" 1
44 1 35 LEU HA 1 35 LEU MD1 4.540 . 4.540 3.641 3.552 3.713 . 0 0 "[ . 1 . 2]" 1
45 1 72 ILE HA 1 73 VAL HB 4.930 . 4.930 4.707 4.402 4.871 . 0 0 "[ . 1 . 2]" 1
46 1 34 LYS HA 1 34 LYS HG3 3.930 . 3.930 3.544 2.713 3.802 . 0 0 "[ . 1 . 2]" 1
47 1 34 LYS HA 1 34 LYS HG2 3.930 . 3.930 3.750 3.188 4.136 0.206 3 0 "[ . 1 . 2]" 1
48 1 100 MET HA 1 101 ILE HG13 5.000 . 5.000 5.023 4.912 5.089 0.089 16 0 "[ . 1 . 2]" 1
49 1 100 MET HA 1 103 ARG QG 5.000 . 5.000 4.751 4.231 5.027 0.027 17 0 "[ . 1 . 2]" 1
50 1 60 MET HA 2 6 PHE QD 4.070 . 4.070 3.885 3.416 4.142 0.072 5 0 "[ . 1 . 2]" 1
51 2 5 THR MG 2 8 HIS HA 4.580 . 4.580 3.975 3.740 4.575 . 0 0 "[ . 1 . 2]" 1
52 1 96 LYS HA 1 99 THR MG 4.180 . 4.180 3.751 3.396 4.002 . 0 0 "[ . 1 . 2]" 1
53 1 96 LYS HA 1 96 LYS HG3 3.800 . 3.800 2.947 2.425 3.784 . 0 0 "[ . 1 . 2]" 1
54 1 96 LYS HA 1 96 LYS HG2 3.800 . 3.800 3.471 2.994 3.728 . 0 0 "[ . 1 . 2]" 1
55 1 34 LYS HA 1 37 LYS QB 4.790 . 4.790 3.495 2.842 4.189 . 0 0 "[ . 1 . 2]" 1
56 1 96 LYS HA 1 96 LYS QE 4.390 . 4.390 3.997 3.459 4.340 . 0 0 "[ . 1 . 2]" 1
57 1 26 VAL HA 1 26 VAL MG1 3.320 . 3.320 2.399 2.289 2.455 . 0 0 "[ . 1 . 2]" 1
58 1 26 VAL HA 1 26 VAL MG2 3.320 . 3.320 3.228 3.201 3.241 . 0 0 "[ . 1 . 2]" 1
59 1 17 ILE HA 1 17 ILE MG 3.300 . 3.300 2.420 2.363 2.485 . 0 0 "[ . 1 . 2]" 1
60 1 79 LEU HA 1 79 LEU MD1 3.360 . 3.360 2.938 2.005 3.212 . 0 0 "[ . 1 . 2]" 1
61 1 33 LEU HA 1 36 LEU MD2 5.000 . 5.000 4.428 3.477 4.897 . 0 0 "[ . 1 . 2]" 1
62 1 33 LEU HA 1 41 ALA MB 5.000 . 5.000 4.893 4.384 5.050 0.050 3 0 "[ . 1 . 2]" 1
63 1 33 LEU HA 1 33 LEU MD1 3.680 . 3.680 3.037 2.002 3.774 0.094 12 0 "[ . 1 . 2]" 1
64 1 33 LEU HA 1 36 LEU HB3 4.570 . 4.570 4.002 3.527 4.337 . 0 0 "[ . 1 . 2]" 1
65 1 33 LEU HA 1 36 LEU HB2 4.570 . 4.570 2.475 2.228 2.772 . 0 0 "[ . 1 . 2]" 1
66 1 36 LEU HA 1 36 LEU MD1 4.200 . 4.200 3.564 2.244 3.921 . 0 0 "[ . 1 . 2]" 1
67 1 35 LEU MD1 1 36 LEU HA 3.850 . 3.850 2.501 2.361 2.675 . 0 0 "[ . 1 . 2]" 1
68 1 36 LEU HA 1 36 LEU MD2 4.200 . 4.200 2.156 2.035 2.317 . 0 0 "[ . 1 . 2]" 1
69 1 79 LEU QB 1 80 LEU HA 4.150 . 4.150 4.092 3.989 4.172 0.022 2 0 "[ . 1 . 2]" 1
70 1 36 LEU HA 1 36 LEU HG 4.080 . 4.080 3.231 3.014 3.763 . 0 0 "[ . 1 . 2]" 1
71 1 79 LEU HA 1 82 ASP HB3 4.020 . 4.020 2.657 2.155 3.163 . 0 0 "[ . 1 . 2]" 1
72 1 79 LEU HA 1 82 ASP HB2 4.020 . 4.020 3.245 2.635 3.878 . 0 0 "[ . 1 . 2]" 1
73 1 17 ILE HA 1 18 PRO HD3 2.450 . 2.450 2.332 2.105 2.475 0.025 1 0 "[ . 1 . 2]" 1
74 1 51 VAL HA 1 55 LEU HA 5.000 . 5.000 5.092 5.050 5.174 0.174 17 0 "[ . 1 . 2]" 1
75 1 74 TYR HA 1 74 TYR QE 4.940 . 4.940 4.455 4.341 4.539 . 0 0 "[ . 1 . 2]" 1
76 1 80 LEU HA 1 80 LEU MD1 4.540 . 4.540 3.176 2.109 3.933 . 0 0 "[ . 1 . 2]" 1
77 1 32 LEU HA 1 35 LEU HG 3.950 . 3.950 2.200 2.030 2.545 . 0 0 "[ . 1 . 2]" 1
78 1 74 TYR HA 1 88 SER HA 4.520 . 4.520 2.407 1.930 2.766 . 0 0 "[ . 1 . 2]" 1
79 1 68 LYS HA 1 68 LYS HB2 2.930 . 2.930 2.857 2.550 2.982 0.052 2 0 "[ . 1 . 2]" 1
80 1 83 LEU HA 1 83 LEU HG 4.090 . 4.090 3.005 2.649 3.160 . 0 0 "[ . 1 . 2]" 1
81 1 92 LYS HA 1 92 LYS HD3 4.470 . 4.470 2.510 1.876 4.227 . 0 0 "[ . 1 . 2]" 1
82 1 62 LYS HA 1 62 LYS HG3 3.900 . 3.900 3.781 3.691 3.887 . 0 0 "[ . 1 . 2]" 1
83 1 62 LYS HA 1 62 LYS QE 4.380 . 4.380 4.068 3.526 4.349 . 0 0 "[ . 1 . 2]" 1
84 1 62 LYS HA 1 62 LYS HG2 3.460 . 3.460 3.080 2.800 3.271 . 0 0 "[ . 1 . 2]" 1
85 1 63 ARG HA 1 64 LEU HB2 5.000 . 5.000 4.893 4.784 5.035 0.035 9 0 "[ . 1 . 2]" 1
86 1 42 GLN HA 1 42 GLN HG2 3.910 . 3.910 2.587 2.406 2.979 . 0 0 "[ . 1 . 2]" 1
87 1 42 GLN HA 1 42 GLN HG3 3.910 . 3.910 3.226 2.991 3.796 . 0 0 "[ . 1 . 2]" 1
88 1 16 GLN HA 1 16 GLN QG 3.500 . 3.500 2.561 2.353 3.369 . 0 0 "[ . 1 . 2]" 1
89 1 93 GLU HA 1 94 HIS H 3.480 . 3.480 1.995 1.828 2.157 . 0 0 "[ . 1 . 2]" 1
90 1 66 ASP HA 1 74 TYR QE 4.350 . 4.350 2.568 1.999 3.520 . 0 0 "[ . 1 . 2]" 1
91 1 72 ILE HA 1 90 SER HA 3.860 . 3.860 2.831 2.456 3.169 . 0 0 "[ . 1 . 2]" 1
92 1 66 ASP HA 1 68 LYS H 5.000 . 5.000 3.943 3.697 4.285 . 0 0 "[ . 1 . 2]" 1
93 1 90 SER HA 1 91 VAL MG2 5.000 . 5.000 3.797 3.518 4.232 . 0 0 "[ . 1 . 2]" 1
94 1 90 SER HA 1 91 VAL MG1 5.000 . 5.000 3.573 3.310 3.894 . 0 0 "[ . 1 . 2]" 1
95 1 65 TYR HA 1 73 VAL HA 5.000 . 5.000 1.873 1.764 2.258 . 0 0 "[ . 1 . 2]" 1
96 1 65 TYR HA 1 73 VAL MG1 5.000 . 5.000 2.464 1.996 2.880 . 0 0 "[ . 1 . 2]" 1
97 1 65 TYR HA 1 73 VAL MG2 5.000 . 5.000 3.351 2.742 3.979 . 0 0 "[ . 1 . 2]" 1
98 1 68 LYS HB2 1 69 GLN HA 4.440 . 4.440 4.242 4.067 4.450 0.010 11 0 "[ . 1 . 2]" 1
99 1 41 ALA HA 1 42 GLN HG2 4.920 . 4.920 4.596 3.349 4.957 0.037 9 0 "[ . 1 . 2]" 1
100 1 41 ALA HA 1 42 GLN HG3 4.920 . 4.920 3.804 3.201 4.989 0.069 20 0 "[ . 1 . 2]" 1
101 1 41 ALA HA 1 42 GLN HB2 4.920 . 4.920 4.496 4.325 4.635 . 0 0 "[ . 1 . 2]" 1
102 1 6 VAL HA 1 7 PRO HD2 2.840 . 2.840 2.575 2.397 2.827 . 0 0 "[ . 1 . 2]" 1
103 1 17 ILE HA 1 18 PRO HD2 2.800 . 2.800 2.124 2.051 2.185 . 0 0 "[ . 1 . 2]" 1
104 1 6 VAL HA 1 7 PRO HD3 2.550 . 2.550 2.194 1.929 2.596 0.046 17 0 "[ . 1 . 2]" 1
105 1 17 ILE MG 1 18 PRO HD2 3.240 . 3.240 2.199 1.974 2.452 . 0 0 "[ . 1 . 2]" 1
106 1 6 VAL HB 1 7 PRO HD2 3.020 . 3.020 2.179 1.907 2.504 . 0 0 "[ . 1 . 2]" 1
107 1 6 VAL HB 1 7 PRO HD3 3.460 . 3.460 3.400 3.156 3.507 0.047 2 0 "[ . 1 . 2]" 1
108 1 17 ILE MG 1 18 PRO HD3 3.720 . 3.720 3.524 3.378 3.618 . 0 0 "[ . 1 . 2]" 1
109 1 6 VAL H 1 7 PRO HD3 5.000 . 5.000 4.855 4.518 5.041 0.041 8 0 "[ . 1 . 2]" 1
110 1 6 VAL H 1 7 PRO HD2 5.000 . 5.000 4.939 4.724 5.031 0.031 15 0 "[ . 1 . 2]" 1
111 1 86 VAL MG1 1 87 PRO HD2 4.190 . 4.190 3.399 2.945 3.701 . 0 0 "[ . 1 . 2]" 1
112 1 86 VAL MG1 1 87 PRO HD3 3.240 . 3.240 3.167 2.437 3.281 0.041 12 0 "[ . 1 . 2]" 1
113 1 86 VAL HB 1 87 PRO HD3 3.710 . 3.710 2.842 2.415 3.160 . 0 0 "[ . 1 . 2]" 1
114 1 86 VAL MG2 1 87 PRO HD3 4.840 . 4.840 4.153 3.944 4.405 . 0 0 "[ . 1 . 2]" 1
115 1 40 GLY HA3 1 41 ALA MB 5.000 . 5.000 4.888 4.796 5.002 0.002 8 0 "[ . 1 . 2]" 1
116 1 40 GLY HA2 1 41 ALA MB 5.000 . 5.000 4.693 4.421 4.832 . 0 0 "[ . 1 . 2]" 1
117 1 39 VAL HA 1 40 GLY HA2 5.000 . 5.000 4.694 4.599 4.873 . 0 0 "[ . 1 . 2]" 1
118 1 39 VAL HA 1 40 GLY HA3 5.000 . 5.000 4.276 4.215 4.367 . 0 0 "[ . 1 . 2]" 1
119 1 9 ASP QB 1 10 GLY HA2 5.000 . 5.000 4.343 3.870 5.010 0.010 8 0 "[ . 1 . 2]" 1
120 1 9 ASP QB 1 10 GLY HA3 5.000 . 5.000 4.653 4.042 5.140 0.140 7 0 "[ . 1 . 2]" 1
121 1 103 ARG HA 1 103 ARG QD 4.280 . 4.280 4.046 3.942 4.208 . 0 0 "[ . 1 . 2]" 1
122 1 103 ARG QB 1 103 ARG QD 2.750 . 2.750 2.115 2.027 2.260 . 0 0 "[ . 1 . 2]" 1
123 1 103 ARG H 1 103 ARG QD 4.470 . 4.470 4.320 4.118 4.535 0.065 7 0 "[ . 1 . 2]" 1
124 1 103 ARG QD 1 104 ASN HD21 5.000 . 5.000 3.880 3.500 4.374 . 0 0 "[ . 1 . 2]" 1
125 1 103 ARG QD 1 104 ASN HD22 5.000 . 5.000 3.496 2.853 4.358 . 0 0 "[ . 1 . 2]" 1
126 1 27 ARG HD2 1 45 THR MG 5.000 . 5.000 3.539 2.000 4.791 . 0 0 "[ . 1 . 2]" 1
127 1 27 ARG HD3 1 45 THR MG 5.000 . 5.000 3.665 2.258 5.019 0.019 10 0 "[ . 1 . 2]" 1
128 1 55 LEU H 1 55 LEU HB3 4.070 . 4.070 2.762 2.698 2.916 . 0 0 "[ . 1 . 2]" 1
129 1 105 LEU HB2 1 105 LEU MD1 3.670 . 3.670 2.241 2.184 2.294 . 0 0 "[ . 1 . 2]" 1
130 1 25 LEU HB3 1 45 THR MG 4.600 . 4.600 2.859 1.909 3.377 . 0 0 "[ . 1 . 2]" 1
131 1 25 LEU HB2 1 45 THR MG 4.600 . 4.600 3.553 2.742 4.143 . 0 0 "[ . 1 . 2]" 1
132 1 66 ASP HB3 1 74 TYR QE 4.570 . 4.570 3.905 3.530 4.631 0.061 12 0 "[ . 1 . 2]" 1
133 1 35 LEU MD1 1 55 LEU HB3 4.640 . 4.640 4.177 3.965 4.449 . 0 0 "[ . 1 . 2]" 1
134 1 55 LEU HB3 1 59 ILE MD 4.970 . 4.970 3.942 3.658 4.193 . 0 0 "[ . 1 . 2]" 1
135 1 55 LEU HB2 2 10 TRP HZ2 4.570 . 4.570 3.793 3.597 3.957 . 0 0 "[ . 1 . 2]" 1
136 1 55 LEU HB3 2 10 TRP HZ2 4.930 . 4.930 2.329 2.118 2.475 . 0 0 "[ . 1 . 2]" 1
137 1 55 LEU HB3 1 56 GLY H 5.000 . 5.000 2.739 2.620 2.821 . 0 0 "[ . 1 . 2]" 1
138 1 54 TYR H 1 55 LEU HB2 5.000 . 5.000 4.730 4.578 4.852 . 0 0 "[ . 1 . 2]" 1
139 1 52 LEU H 1 55 LEU HB3 5.000 . 5.000 5.009 4.861 5.073 0.073 5 0 "[ . 1 . 2]" 1
140 1 68 LYS QD 1 68 LYS QE 2.400 . 2.400 2.075 1.984 2.112 . 0 0 "[ . 1 . 2]" 1
141 1 32 LEU MD1 1 104 ASN HB3 4.280 . 4.280 2.123 1.839 2.667 . 0 0 "[ . 1 . 2]" 1
142 1 62 LYS QE 1 62 LYS HG2 3.350 . 3.350 2.453 2.342 3.298 . 0 0 "[ . 1 . 2]" 1
143 1 68 LYS HB2 1 68 LYS QE 4.180 . 4.180 4.189 3.894 4.331 0.151 17 0 "[ . 1 . 2]" 1
144 1 96 LYS QB 1 96 LYS QE 4.500 . 4.500 3.442 1.996 3.834 . 0 0 "[ . 1 . 2]" 1
145 1 32 LEU MD1 1 104 ASN HB2 4.430 . 4.430 2.765 2.314 3.363 . 0 0 "[ . 1 . 2]" 1
146 1 92 LYS HE2 2 9 LEU MD1 5.000 . 5.000 3.262 1.863 4.381 . 0 0 "[ . 1 . 2]" 1
147 1 92 LYS HE3 2 9 LEU MD1 5.000 . 5.000 3.870 2.199 5.061 0.061 13 0 "[ . 1 . 2]" 1
148 1 92 LYS HE3 2 9 LEU MD2 5.000 . 5.000 3.438 2.090 5.071 0.071 1 0 "[ . 1 . 2]" 1
149 1 92 LYS HE2 2 9 LEU MD2 5.000 . 5.000 3.069 1.964 4.972 . 0 0 "[ . 1 . 2]" 1
150 1 43 LYS HB3 1 43 LYS QE 4.080 . 4.080 2.502 1.939 3.755 . 0 0 "[ . 1 . 2]" 1
151 1 31 LEU HB2 1 31 LEU MD1 3.560 . 3.560 2.339 2.310 2.376 . 0 0 "[ . 1 . 2]" 1
152 1 31 LEU HB2 1 31 LEU MD2 3.560 . 3.560 3.204 3.193 3.217 . 0 0 "[ . 1 . 2]" 1
153 1 31 LEU HB3 1 31 LEU MD1 3.560 . 3.560 2.383 2.346 2.445 . 0 0 "[ . 1 . 2]" 1
154 1 92 LYS H 1 92 LYS HE2 5.000 . 5.000 4.396 2.984 5.111 0.111 6 0 "[ . 1 . 2]" 1
155 1 92 LYS H 1 92 LYS HE3 5.000 . 5.000 4.654 3.346 5.115 0.115 14 0 "[ . 1 . 2]" 1
156 1 33 LEU HB2 1 34 LYS H 4.480 . 4.480 3.261 2.495 3.956 . 0 0 "[ . 1 . 2]" 1
157 1 71 HIS HA 1 92 LYS HE2 5.000 . 5.000 4.497 3.657 5.052 0.052 8 0 "[ . 1 . 2]" 1
158 1 71 HIS HA 1 92 LYS HE3 5.000 . 5.000 4.417 3.392 5.023 0.023 9 0 "[ . 1 . 2]" 1
159 1 92 LYS HA 1 92 LYS HE2 5.000 . 5.000 3.712 1.949 4.343 . 0 0 "[ . 1 . 2]" 1
160 1 92 LYS HA 1 92 LYS HE3 5.000 . 5.000 4.451 3.623 5.012 0.012 11 0 "[ . 1 . 2]" 1
161 1 71 HIS HB3 1 92 LYS HE2 5.000 . 5.000 3.427 2.578 4.255 . 0 0 "[ . 1 . 2]" 1
162 1 71 HIS HB3 1 92 LYS HE3 5.000 . 5.000 2.785 2.206 3.702 . 0 0 "[ . 1 . 2]" 1
163 1 71 HIS HB2 1 92 LYS HE3 5.000 . 5.000 3.059 2.369 4.665 . 0 0 "[ . 1 . 2]" 1
164 1 71 HIS HB2 1 92 LYS HE2 5.000 . 5.000 3.560 2.572 4.684 . 0 0 "[ . 1 . 2]" 1
165 1 80 LEU HA 1 83 LEU HB3 5.000 . 5.000 3.490 2.730 4.740 . 0 0 "[ . 1 . 2]" 1
166 1 79 LEU MD2 1 82 ASP HB2 5.000 . 5.000 3.633 2.694 4.948 . 0 0 "[ . 1 . 2]" 1
167 1 79 LEU MD1 1 82 ASP HB2 5.000 . 5.000 4.398 2.400 5.045 0.045 1 0 "[ . 1 . 2]" 1
168 1 79 LEU MD2 1 82 ASP HB3 5.000 . 5.000 2.567 1.982 3.648 . 0 0 "[ . 1 . 2]" 1
169 1 79 LEU MD1 1 82 ASP HB3 5.000 . 5.000 3.037 2.038 3.741 . 0 0 "[ . 1 . 2]" 1
170 1 36 LEU HB2 1 41 ALA MB 4.720 . 4.720 3.168 2.876 3.655 . 0 0 "[ . 1 . 2]" 1
171 1 36 LEU HB3 1 41 ALA MB 4.720 . 4.720 2.074 1.892 2.396 . 0 0 "[ . 1 . 2]" 1
172 1 17 ILE HB 1 18 PRO HD2 4.230 . 4.230 4.202 3.974 4.331 0.101 20 0 "[ . 1 . 2]" 1
173 1 17 ILE HB 1 18 PRO HD3 5.000 . 5.000 5.004 4.824 5.057 0.057 9 0 "[ . 1 . 2]" 1
174 1 84 PHE HB3 1 86 VAL MG2 4.220 . 4.220 2.132 1.761 2.717 . 0 0 "[ . 1 . 2]" 1
175 1 84 PHE HB2 1 86 VAL H 4.540 . 4.540 4.040 3.113 4.609 0.069 9 0 "[ . 1 . 2]" 1
176 1 84 PHE HB2 1 86 VAL MG2 3.840 . 3.840 2.834 2.040 3.601 . 0 0 "[ . 1 . 2]" 1
177 1 97 ILE HB 1 97 ILE MD 3.750 . 3.750 3.246 3.226 3.265 . 0 0 "[ . 1 . 2]" 1
178 1 97 ILE H 1 97 ILE HB 4.120 . 4.120 2.691 2.637 2.752 . 0 0 "[ . 1 . 2]" 1
179 1 101 ILE MG 1 102 TYR HB3 5.000 . 5.000 4.785 4.591 4.940 . 0 0 "[ . 1 . 2]" 1
180 1 101 ILE MG 1 102 TYR HB2 5.000 . 5.000 4.680 4.452 4.865 . 0 0 "[ . 1 . 2]" 1
181 1 93 GLU H 1 93 GLU HG3 3.990 . 3.990 3.804 3.050 4.009 0.019 12 0 "[ . 1 . 2]" 1
182 1 86 VAL HB 1 87 PRO HD2 4.500 . 4.500 2.280 2.038 2.483 . 0 0 "[ . 1 . 2]" 1
183 1 43 LYS HB2 1 43 LYS QE 4.080 . 4.080 2.818 1.928 3.941 . 0 0 "[ . 1 . 2]" 1
184 1 69 GLN H 1 69 GLN QG 3.900 . 3.900 2.809 2.308 3.258 . 0 0 "[ . 1 . 2]" 1
185 1 107 VAL H 1 107 VAL HB 3.870 . 3.870 3.664 2.574 3.879 0.009 15 0 "[ . 1 . 2]" 1
186 1 54 TYR QD 1 57 GLN HG3 4.580 . 4.580 3.354 2.627 4.591 0.011 5 0 "[ . 1 . 2]" 1
187 1 54 TYR QD 1 57 GLN HG2 4.580 . 4.580 3.979 3.648 4.497 . 0 0 "[ . 1 . 2]" 1
188 1 69 GLN HA 1 69 GLN QG 3.560 . 3.560 2.656 2.401 3.001 . 0 0 "[ . 1 . 2]" 1
189 1 68 LYS H 1 68 LYS HB2 3.930 . 3.930 2.983 2.557 3.674 . 0 0 "[ . 1 . 2]" 1
190 1 60 MET HG2 2 6 PHE QD 4.450 . 4.450 3.084 1.973 4.468 0.018 9 0 "[ . 1 . 2]" 1
191 1 60 MET HG3 2 6 PHE QD 4.450 . 4.450 2.972 2.383 3.445 . 0 0 "[ . 1 . 2]" 1
192 1 60 MET H 1 60 MET HG3 4.500 . 4.500 3.917 2.435 4.514 0.014 6 0 "[ . 1 . 2]" 1
193 1 60 MET HA 1 60 MET HG2 3.920 . 3.920 2.796 2.419 3.180 . 0 0 "[ . 1 . 2]" 1
194 1 60 MET HA 1 60 MET HG3 3.920 . 3.920 3.172 2.508 3.774 . 0 0 "[ . 1 . 2]" 1
195 1 12 VAL H 1 12 VAL HB 3.730 . 3.730 3.698 3.625 3.821 0.091 16 0 "[ . 1 . 2]" 1
196 1 6 VAL HA 1 6 VAL HB 2.730 . 2.730 2.498 2.443 2.588 . 0 0 "[ . 1 . 2]" 1
197 1 72 ILE MG 1 73 VAL HB 5.000 . 5.000 4.886 4.728 5.000 0.000 13 0 "[ . 1 . 2]" 1
198 1 73 VAL HB 1 89 PHE QD 3.720 . 3.720 3.067 2.200 3.294 . 0 0 "[ . 1 . 2]" 1
199 1 62 LYS HB2 1 62 LYS QE 5.000 . 5.000 4.199 3.325 4.479 . 0 0 "[ . 1 . 2]" 1
200 1 42 GLN HA 1 42 GLN HB3 3.020 . 3.020 2.439 2.395 2.485 . 0 0 "[ . 1 . 2]" 1
201 1 62 LYS HB3 1 62 LYS QE 5.000 . 5.000 3.884 2.016 4.162 . 0 0 "[ . 1 . 2]" 1
202 1 39 VAL HB 1 57 GLN QB 3.770 . 3.770 2.217 2.022 2.467 . 0 0 "[ . 1 . 2]" 1
203 1 48 MET ME 1 101 ILE HG12 4.150 . 4.150 4.128 4.018 4.231 0.081 14 0 "[ . 1 . 2]" 1
204 1 103 ARG H 1 103 ARG QB 2.870 . 2.870 2.197 2.115 2.268 . 0 0 "[ . 1 . 2]" 1
205 1 75 CYS HB2 1 80 LEU MD1 5.000 . 5.000 3.892 1.979 5.063 0.063 13 0 "[ . 1 . 2]" 1
206 1 75 CYS HB3 1 80 LEU MD1 5.000 . 5.000 3.806 2.530 5.043 0.043 19 0 "[ . 1 . 2]" 1
207 1 97 ILE HG13 1 100 MET ME 5.000 . 5.000 4.650 4.360 4.977 . 0 0 "[ . 1 . 2]" 1
208 1 96 LYS HA 1 96 LYS QD 4.450 . 4.450 2.281 1.814 2.736 . 0 0 "[ . 1 . 2]" 1
209 1 92 LYS HA 1 92 LYS HD2 4.470 . 4.470 3.094 2.490 3.445 . 0 0 "[ . 1 . 2]" 1
210 1 62 LYS HA 1 62 LYS HD3 4.030 . 4.030 2.283 1.997 3.824 . 0 0 "[ . 1 . 2]" 1
211 1 92 LYS H 1 92 LYS HD2 5.000 . 5.000 4.170 2.542 5.012 0.012 20 0 "[ . 1 . 2]" 1
212 1 59 ILE MG 1 75 CYS HB2 5.000 . 5.000 4.799 3.389 5.064 0.064 20 0 "[ . 1 . 2]" 1
213 1 75 CYS HB2 1 80 LEU MD2 5.000 . 5.000 3.398 2.410 5.029 0.029 17 0 "[ . 1 . 2]" 1
214 1 59 ILE MG 1 75 CYS HB3 5.000 . 5.000 4.254 3.104 5.037 0.037 20 0 "[ . 1 . 2]" 1
215 1 75 CYS HB3 1 80 LEU MD2 5.000 . 5.000 3.178 2.132 4.575 . 0 0 "[ . 1 . 2]" 1
216 1 68 LYS QD 1 69 GLN H 4.780 . 4.780 4.304 1.877 4.726 . 0 0 "[ . 1 . 2]" 1
217 1 62 LYS H 1 62 LYS HD2 5.000 . 5.000 4.733 4.350 4.864 . 0 0 "[ . 1 . 2]" 1
218 1 62 LYS HA 1 62 LYS HD2 4.030 . 4.030 3.050 2.363 3.217 . 0 0 "[ . 1 . 2]" 1
219 1 103 ARG HA 1 103 ARG QG 3.250 . 3.250 2.537 2.433 2.679 . 0 0 "[ . 1 . 2]" 1
220 1 30 PRO HG2 1 31 LEU HA 4.340 . 4.340 4.385 4.362 4.421 0.081 7 0 "[ . 1 . 2]" 1
221 1 32 LEU HG 1 35 LEU MD2 3.390 . 3.390 2.622 2.169 3.196 . 0 0 "[ . 1 . 2]" 1
222 1 35 LEU HA 1 35 LEU MD2 4.180 . 4.180 4.135 4.097 4.174 . 0 0 "[ . 1 . 2]" 1
223 1 32 LEU HA 1 35 LEU MD2 3.410 . 3.410 2.294 2.068 2.531 . 0 0 "[ . 1 . 2]" 1
224 1 17 ILE HA 1 17 ILE HG13 4.250 . 4.250 3.090 3.020 3.175 . 0 0 "[ . 1 . 2]" 1
225 1 17 ILE HA 1 17 ILE HG12 4.250 . 4.250 2.597 2.517 2.667 . 0 0 "[ . 1 . 2]" 1
226 1 55 LEU H 1 55 LEU HG 4.870 . 4.870 4.297 4.103 4.350 . 0 0 "[ . 1 . 2]" 1
227 1 55 LEU HG 1 56 GLY H 5.000 . 5.000 5.043 5.020 5.067 0.067 12 0 "[ . 1 . 2]" 1
228 1 49 LYS HA 1 52 LEU HG 4.350 . 4.350 3.283 2.213 4.595 0.245 19 0 "[ . 1 . 2]" 1
229 1 52 LEU HG 2 11 SER HA 5.000 . 5.000 4.471 3.432 4.971 . 0 0 "[ . 1 . 2]" 1
230 1 83 LEU HB2 1 83 LEU MD2 3.280 . 3.280 2.475 2.247 3.190 . 0 0 "[ . 1 . 2]" 1
231 1 72 ILE HG13 1 72 ILE MG 3.560 . 3.560 2.324 2.287 2.361 . 0 0 "[ . 1 . 2]" 1
232 1 35 LEU HG 1 36 LEU HG 4.560 . 4.560 3.252 2.469 4.653 0.093 17 0 "[ . 1 . 2]" 1
233 1 26 VAL HB 1 105 LEU MD1 3.840 . 3.840 2.743 1.922 3.857 0.017 14 0 "[ . 1 . 2]" 1
234 1 96 LYS QE 1 96 LYS HG2 3.490 . 3.490 2.454 2.205 2.995 . 0 0 "[ . 1 . 2]" 1
235 1 92 LYS H 1 92 LYS HG3 4.960 . 4.960 3.844 3.580 4.526 . 0 0 "[ . 1 . 2]" 1
236 1 80 LEU MD1 1 89 PHE QD 4.670 . 4.670 4.458 2.828 4.791 0.121 15 0 "[ . 1 . 2]" 1
237 1 96 LYS QE 1 96 LYS HG3 3.490 . 3.490 2.666 2.283 3.502 0.012 10 0 "[ . 1 . 2]" 1
238 1 49 LYS H 1 49 LYS HG2 4.650 . 4.650 3.664 3.112 4.466 . 0 0 "[ . 1 . 2]" 1
239 1 33 LEU H 1 33 LEU MD1 4.380 . 4.380 3.822 3.549 4.239 . 0 0 "[ . 1 . 2]" 1
240 1 79 LEU QB 1 79 LEU MD1 2.890 . 2.890 2.279 2.230 2.333 . 0 0 "[ . 1 . 2]" 1
241 1 83 LEU HB2 1 83 LEU MD1 3.280 . 3.280 2.387 2.259 2.505 . 0 0 "[ . 1 . 2]" 1
242 1 32 LEU HG 1 35 LEU MD1 4.660 . 4.660 3.850 3.246 4.693 0.033 3 0 "[ . 1 . 2]" 1
243 1 35 LEU MD1 1 36 LEU HG 4.760 . 4.760 2.911 2.278 4.475 . 0 0 "[ . 1 . 2]" 1
244 1 35 LEU MD1 1 51 VAL HA 5.000 . 5.000 4.888 4.571 5.066 0.066 14 0 "[ . 1 . 2]" 1
245 1 83 LEU H 1 83 LEU MD1 4.020 . 4.020 3.720 2.355 3.898 . 0 0 "[ . 1 . 2]" 1
246 1 79 LEU QB 1 79 LEU MD2 2.890 . 2.890 2.346 1.990 2.431 . 0 0 "[ . 1 . 2]" 1
247 1 33 LEU HA 1 33 LEU MD2 3.680 . 3.680 2.770 1.965 3.813 0.133 2 0 "[ . 1 . 2]" 1
248 1 91 VAL MG1 2 6 PHE QE 4.820 . 4.820 1.931 1.794 2.171 . 0 0 "[ . 1 . 2]" 1
249 1 91 VAL MG1 2 10 TRP HE3 4.250 . 4.250 2.108 1.866 2.428 . 0 0 "[ . 1 . 2]" 1
250 1 31 LEU HB3 1 31 LEU MD2 3.560 . 3.560 2.377 2.346 2.417 . 0 0 "[ . 1 . 2]" 1
251 1 91 VAL HA 1 91 VAL MG1 3.740 . 3.740 2.343 2.230 2.473 . 0 0 "[ . 1 . 2]" 1
252 1 79 LEU HA 1 79 LEU MD2 3.360 . 3.360 2.219 1.920 3.642 0.282 6 0 "[ . 1 . 2]" 1
253 1 91 VAL HA 1 91 VAL MG2 3.740 . 3.740 3.192 3.163 3.209 . 0 0 "[ . 1 . 2]" 1
254 1 91 VAL MG2 2 10 TRP HE3 4.250 . 4.250 3.869 3.614 4.246 . 0 0 "[ . 1 . 2]" 1
255 1 91 VAL MG2 2 6 PHE QE 4.820 . 4.820 3.780 2.775 4.351 . 0 0 "[ . 1 . 2]" 1
256 1 25 LEU H 1 25 LEU MD2 3.890 . 3.890 3.474 1.630 3.845 . 0 0 "[ . 1 . 2]" 1
257 1 49 LYS HA 1 52 LEU MD1 4.480 . 4.480 2.488 1.982 3.952 . 0 0 "[ . 1 . 2]" 1
258 1 80 LEU HA 1 80 LEU MD2 4.540 . 4.540 3.438 2.471 4.202 . 0 0 "[ . 1 . 2]" 1
259 1 80 LEU MD2 1 89 PHE QD 4.670 . 4.670 3.773 2.424 4.859 0.189 7 0 "[ . 1 . 2]" 1
260 1 73 VAL MG2 1 89 PHE QD 3.950 . 3.950 3.680 2.717 3.958 0.008 18 0 "[ . 1 . 2]" 1
261 1 45 THR HA 1 45 THR MG 3.600 . 3.600 2.224 2.106 2.269 . 0 0 "[ . 1 . 2]" 1
262 1 39 VAL HA 1 39 VAL MG2 3.690 . 3.690 3.167 2.373 3.229 . 0 0 "[ . 1 . 2]" 1
263 1 33 LEU HA 1 36 LEU MD1 5.000 . 5.000 2.765 2.024 4.794 . 0 0 "[ . 1 . 2]" 1
264 1 105 LEU HB3 1 105 LEU MD2 3.410 . 3.410 2.176 2.094 2.205 . 0 0 "[ . 1 . 2]" 1
265 1 26 VAL HA 1 105 LEU MD2 4.150 . 4.150 3.617 2.410 4.188 0.038 17 0 "[ . 1 . 2]" 1
266 1 105 LEU HA 1 105 LEU MD2 4.180 . 4.180 4.097 4.057 4.133 . 0 0 "[ . 1 . 2]" 1
267 1 73 VAL MG2 1 89 PHE QE 4.490 . 4.490 3.010 2.589 3.372 . 0 0 "[ . 1 . 2]" 1
268 1 73 VAL MG1 1 89 PHE QE 4.490 . 4.490 2.458 2.093 3.910 . 0 0 "[ . 1 . 2]" 1
269 1 73 VAL MG1 1 89 PHE QD 3.950 . 3.950 3.340 3.059 3.731 . 0 0 "[ . 1 . 2]" 1
270 1 73 VAL MG2 1 74 TYR H 4.150 . 4.150 4.136 4.078 4.204 0.054 10 0 "[ . 1 . 2]" 1
271 1 27 ARG HA 1 45 THR MG 3.870 . 3.870 3.073 2.421 3.571 . 0 0 "[ . 1 . 2]" 1
272 1 24 THR HA 1 24 THR MG 2.760 . 2.760 2.348 2.275 2.473 . 0 0 "[ . 1 . 2]" 1
273 1 61 THR HA 1 61 THR MG 3.250 . 3.250 3.231 3.215 3.244 . 0 0 "[ . 1 . 2]" 1
274 1 102 TYR HA 1 105 LEU MD2 4.080 . 4.080 1.891 1.792 1.995 . 0 0 "[ . 1 . 2]" 1
275 1 26 VAL HB 1 105 LEU MD2 3.930 . 3.930 2.056 1.853 2.377 . 0 0 "[ . 1 . 2]" 1
276 1 59 ILE MG 1 73 VAL MG1 3.370 . 3.370 1.971 1.872 2.220 . 0 0 "[ . 1 . 2]" 1
277 1 59 ILE MG 1 73 VAL MG2 3.370 . 3.370 2.662 2.209 3.320 . 0 0 "[ . 1 . 2]" 1
278 1 39 VAL HA 1 39 VAL MG1 3.690 . 3.690 2.371 2.283 3.234 . 0 0 "[ . 1 . 2]" 1
279 1 59 ILE MD 1 59 ILE MG 3.000 . 3.000 1.842 1.756 1.905 . 0 0 "[ . 1 . 2]" 1
280 1 59 ILE MG 1 64 LEU HB3 4.300 . 4.300 3.294 2.981 3.629 . 0 0 "[ . 1 . 2]" 1
281 1 37 LYS QB 1 41 ALA MB 3.950 . 3.950 3.827 2.887 4.024 0.074 13 0 "[ . 1 . 2]" 1
282 1 59 ILE MG 1 64 LEU HB2 3.930 . 3.930 2.041 1.892 2.251 . 0 0 "[ . 1 . 2]" 1
283 1 59 ILE MG 1 63 ARG HA 5.000 . 5.000 4.245 4.027 4.431 . 0 0 "[ . 1 . 2]" 1
284 1 59 ILE HA 1 59 ILE MG 3.290 . 3.290 2.376 2.329 2.439 . 0 0 "[ . 1 . 2]" 1
285 1 37 LYS HA 1 41 ALA MB 3.510 . 3.510 2.427 1.980 2.867 . 0 0 "[ . 1 . 2]" 1
286 1 86 VAL MG2 1 87 PRO HD2 4.020 . 4.020 3.797 3.545 3.988 . 0 0 "[ . 1 . 2]" 1
287 1 84 PHE HA 1 86 VAL MG2 5.000 . 5.000 4.379 4.145 4.628 . 0 0 "[ . 1 . 2]" 1
288 1 86 VAL HA 1 86 VAL MG2 3.720 . 3.720 3.200 3.140 3.227 . 0 0 "[ . 1 . 2]" 1
289 1 59 ILE MG 1 64 LEU H 4.000 . 4.000 2.902 2.708 3.069 . 0 0 "[ . 1 . 2]" 1
290 1 59 ILE MG 1 89 PHE QD 5.000 . 5.000 5.160 5.021 5.252 0.252 8 0 "[ . 1 . 2]" 1
291 1 59 ILE MG 2 6 PHE QE 4.000 . 4.000 3.103 2.888 3.714 . 0 0 "[ . 1 . 2]" 1
292 1 59 ILE MG 2 6 PHE QD 5.000 . 5.000 4.245 3.893 4.890 . 0 0 "[ . 1 . 2]" 1
293 1 41 ALA MB 1 42 GLN H 3.660 . 3.660 2.983 2.493 3.314 . 0 0 "[ . 1 . 2]" 1
294 1 41 ALA MB 1 54 TYR QE 4.120 . 4.120 3.457 2.296 4.130 0.010 6 0 "[ . 1 . 2]" 1
295 1 97 ILE MG 1 101 ILE MD 2.860 . 2.860 2.178 1.995 2.367 . 0 0 "[ . 1 . 2]" 1
296 1 48 MET ME 1 97 ILE MG 5.000 . 5.000 3.647 3.452 3.960 . 0 0 "[ . 1 . 2]" 1
297 1 97 ILE HA 1 97 ILE MG 3.360 . 3.360 2.355 2.293 2.427 . 0 0 "[ . 1 . 2]" 1
298 1 89 PHE QE 1 97 ILE MG 4.130 . 4.130 3.929 3.106 4.163 0.033 17 0 "[ . 1 . 2]" 1
299 1 48 MET ME 1 102 TYR H 5.000 . 5.000 3.913 3.602 4.521 . 0 0 "[ . 1 . 2]" 1
300 1 48 MET ME 1 52 LEU H 5.000 . 5.000 4.679 4.215 5.004 0.004 6 0 "[ . 1 . 2]" 1
301 1 48 MET ME 1 49 LYS H 5.000 . 5.000 4.928 4.558 5.066 0.066 14 0 "[ . 1 . 2]" 1
302 1 48 MET ME 1 51 VAL H 5.000 . 5.000 4.987 4.560 5.171 0.171 6 0 "[ . 1 . 2]" 1
303 1 48 MET ME 1 101 ILE H 5.000 . 5.000 4.154 3.923 4.549 . 0 0 "[ . 1 . 2]" 1
304 1 48 MET ME 1 98 TYR QD 3.350 . 3.350 2.442 2.071 3.082 . 0 0 "[ . 1 . 2]" 1
305 1 48 MET HA 1 48 MET ME 3.950 . 3.950 2.613 1.984 3.174 . 0 0 "[ . 1 . 2]" 1
306 1 48 MET ME 1 101 ILE MG 2.920 . 2.920 2.404 2.129 2.812 . 0 0 "[ . 1 . 2]" 1
307 1 72 ILE HG12 1 72 ILE MG 3.560 . 3.560 3.205 3.189 3.213 . 0 0 "[ . 1 . 2]" 1
308 1 72 ILE HA 1 72 ILE MG 3.170 . 3.170 2.525 2.491 2.552 . 0 0 "[ . 1 . 2]" 1
309 1 72 ILE MG 1 74 TYR QE 4.290 . 4.290 2.820 2.338 3.037 . 0 0 "[ . 1 . 2]" 1
310 1 72 ILE MG 1 88 SER HB3 5.000 . 5.000 4.084 3.004 4.839 . 0 0 "[ . 1 . 2]" 1
311 1 66 ASP HB3 1 72 ILE MG 4.040 . 4.040 3.395 3.276 3.528 . 0 0 "[ . 1 . 2]" 1
312 1 97 ILE H 1 100 MET ME 4.000 . 4.000 3.654 3.372 4.012 0.012 14 0 "[ . 1 . 2]" 1
313 1 100 MET H 1 100 MET ME 3.790 . 3.790 3.575 3.468 3.718 . 0 0 "[ . 1 . 2]" 1
314 1 100 MET ME 1 101 ILE H 5.000 . 5.000 4.621 4.240 4.869 . 0 0 "[ . 1 . 2]" 1
315 1 89 PHE QE 1 97 ILE MD 3.290 . 3.290 2.549 2.159 3.143 . 0 0 "[ . 1 . 2]" 1
316 1 89 PHE QD 1 97 ILE MD 3.790 . 3.790 2.672 2.205 3.773 . 0 0 "[ . 1 . 2]" 1
317 1 97 ILE H 1 97 ILE MD 3.410 . 3.410 2.807 2.628 2.895 . 0 0 "[ . 1 . 2]" 1
318 1 89 PHE QE 1 100 MET ME 3.540 . 3.540 3.449 2.311 3.610 0.070 7 0 "[ . 1 . 2]" 1
319 1 89 PHE QD 1 100 MET ME 3.720 . 3.720 2.619 2.337 2.900 . 0 0 "[ . 1 . 2]" 1
320 1 97 ILE HA 1 100 MET ME 2.980 . 2.980 2.133 1.896 2.237 . 0 0 "[ . 1 . 2]" 1
321 1 96 LYS QB 1 100 MET ME 3.110 . 3.110 2.806 2.444 3.056 . 0 0 "[ . 1 . 2]" 1
322 1 48 MET ME 1 101 ILE MD 3.120 . 3.120 2.093 1.966 2.270 . 0 0 "[ . 1 . 2]" 1
323 1 101 ILE HB 1 101 ILE MD 3.240 . 3.240 2.413 2.394 2.441 . 0 0 "[ . 1 . 2]" 1
324 1 97 ILE MG 1 100 MET ME 3.680 . 3.680 3.438 2.970 3.681 0.001 19 0 "[ . 1 . 2]" 1
325 1 97 ILE MD 1 97 ILE MG 2.680 . 2.680 2.128 2.061 2.208 . 0 0 "[ . 1 . 2]" 1
326 1 101 ILE MD 1 102 TYR H 5.000 . 5.000 4.415 4.284 4.487 . 0 0 "[ . 1 . 2]" 1
327 1 98 TYR QE 1 101 ILE MD 4.830 . 4.830 4.826 4.560 4.897 0.067 20 0 "[ . 1 . 2]" 1
328 1 97 ILE MD 2 10 TRP HE3 4.540 . 4.540 3.836 3.598 4.022 . 0 0 "[ . 1 . 2]" 1
329 1 91 VAL HA 1 97 ILE MD 3.230 . 3.230 2.013 1.921 2.293 . 0 0 "[ . 1 . 2]" 1
330 1 97 ILE HA 1 97 ILE MD 3.440 . 3.440 2.183 2.096 2.293 . 0 0 "[ . 1 . 2]" 1
331 1 101 ILE HA 1 101 ILE MD 3.920 . 3.920 3.883 3.850 3.922 0.002 10 0 "[ . 1 . 2]" 1
332 1 98 TYR HA 1 101 ILE MD 3.450 . 3.450 2.870 2.507 3.072 . 0 0 "[ . 1 . 2]" 1
333 1 96 LYS HA 1 100 MET ME 4.240 . 4.240 4.209 4.071 4.326 0.086 13 0 "[ . 1 . 2]" 1
334 1 59 ILE H 1 59 ILE MD 4.560 . 4.560 3.589 3.533 3.649 . 0 0 "[ . 1 . 2]" 1
335 1 59 ILE MD 1 89 PHE QE 3.920 . 3.920 2.907 2.380 3.557 . 0 0 "[ . 1 . 2]" 1
336 1 59 ILE MD 2 6 PHE QE 4.270 . 4.270 3.037 2.556 3.590 . 0 0 "[ . 1 . 2]" 1
337 1 59 ILE MD 1 65 TYR QD 5.000 . 5.000 4.849 3.473 5.062 0.062 18 0 "[ . 1 . 2]" 1
338 1 59 ILE MD 2 10 TRP HE3 5.000 . 5.000 4.282 3.789 4.758 . 0 0 "[ . 1 . 2]" 1
339 1 59 ILE HB 1 59 ILE MD 3.460 . 3.460 2.459 2.415 2.506 . 0 0 "[ . 1 . 2]" 1
340 1 17 ILE HB 1 17 ILE MD 3.250 . 3.250 2.454 2.401 2.494 . 0 0 "[ . 1 . 2]" 1
341 1 17 ILE HA 1 17 ILE MD 4.160 . 4.160 3.879 3.830 3.916 . 0 0 "[ . 1 . 2]" 1
342 1 72 ILE MD 1 72 ILE MG 2.840 . 2.840 1.995 1.930 2.046 . 0 0 "[ . 1 . 2]" 1
343 1 72 ILE HB 1 72 ILE MD 3.380 . 3.380 3.222 3.202 3.244 . 0 0 "[ . 1 . 2]" 1
344 1 69 GLN QG 1 72 ILE MD 4.990 . 4.990 4.778 4.214 5.010 0.020 3 0 "[ . 1 . 2]" 1
345 1 72 ILE HA 1 72 ILE MD 3.360 . 3.360 1.976 1.948 2.006 . 0 0 "[ . 1 . 2]" 1
346 1 72 ILE MD 1 90 SER HA 3.700 . 3.700 2.926 2.540 3.392 . 0 0 "[ . 1 . 2]" 1
347 1 72 ILE MD 1 74 TYR QE 5.000 . 5.000 4.999 4.777 5.089 0.089 9 0 "[ . 1 . 2]" 1
348 1 72 ILE MD 1 89 PHE H 5.000 . 5.000 5.016 4.754 5.063 0.063 10 0 "[ . 1 . 2]" 1
349 1 72 ILE MD 1 91 VAL H 4.870 . 4.870 4.116 3.654 4.705 . 0 0 "[ . 1 . 2]" 1
350 1 8 THR HB 1 9 ASP H 5.000 . 5.000 3.719 2.321 4.447 . 0 0 "[ . 1 . 2]" 1
351 1 13 THR HA 1 13 THR HB 2.570 . 2.570 2.558 2.439 2.602 0.032 6 0 "[ . 1 . 2]" 1
352 1 51 VAL H 1 51 VAL MG1 3.900 . 3.900 3.414 1.901 3.793 . 0 0 "[ . 1 . 2]" 1
353 1 67 GLU HB2 1 68 LYS H 4.340 . 4.340 3.891 2.584 4.247 . 0 0 "[ . 1 . 2]" 1
354 1 67 GLU HB3 1 68 LYS H 4.340 . 4.340 4.268 3.892 4.367 0.027 20 0 "[ . 1 . 2]" 1
355 1 66 ASP HB2 1 72 ILE HB 5.000 . 5.000 2.716 2.361 3.202 . 0 0 "[ . 1 . 2]" 1
356 1 68 LYS H 1 69 GLN QG 4.800 . 4.800 4.129 3.563 4.663 . 0 0 "[ . 1 . 2]" 1
357 1 68 LYS HA 1 69 GLN QG 4.950 . 4.950 4.590 4.195 4.948 . 0 0 "[ . 1 . 2]" 1
358 1 67 GLU HA 1 67 GLU QG 3.390 . 3.390 3.257 2.530 3.351 . 0 0 "[ . 1 . 2]" 1
359 1 66 ASP HA 1 67 GLU QG 4.090 . 4.090 3.646 3.008 4.090 . 9 0 "[ . 1 . 2]" 1
360 1 67 GLU QG 1 69 GLN H 5.000 . 5.000 4.469 4.222 5.086 0.086 6 0 "[ . 1 . 2]" 1
361 1 67 GLU QG 1 68 LYS QD 4.600 . 4.600 2.446 1.794 4.640 0.040 6 0 "[ . 1 . 2]" 1
362 1 62 LYS HA 1 63 ARG QB 5.000 . 5.000 4.292 4.135 4.400 . 0 0 "[ . 1 . 2]" 1
363 1 68 LYS HA 1 68 LYS QD 3.360 . 3.360 2.812 2.335 3.544 0.184 12 0 "[ . 1 . 2]" 1
364 1 68 LYS HB2 1 68 LYS QD 3.450 . 3.450 3.214 2.262 3.343 . 0 0 "[ . 1 . 2]" 1
365 1 98 TYR H 1 98 TYR QD 3.640 . 3.640 2.948 2.145 3.083 . 0 0 "[ . 1 . 2]" 1
366 1 74 TYR QD 1 88 SER HA 4.430 . 4.430 4.032 2.940 4.424 . 0 0 "[ . 1 . 2]" 1
367 1 74 TYR QD 1 88 SER HB3 3.960 . 3.960 2.560 1.857 3.662 . 0 0 "[ . 1 . 2]" 1
368 1 74 TYR QD 1 88 SER HB2 3.960 . 3.960 3.134 2.081 3.967 0.007 13 0 "[ . 1 . 2]" 1
369 1 36 LEU MD1 1 54 TYR QD 5.000 . 5.000 4.238 2.578 5.023 0.023 16 0 "[ . 1 . 2]" 1
370 1 35 LEU MD1 1 54 TYR QD 5.000 . 5.000 5.074 5.019 5.164 0.164 15 0 "[ . 1 . 2]" 1
371 1 36 LEU MD2 1 54 TYR QD 5.000 . 5.000 3.405 2.419 4.799 . 0 0 "[ . 1 . 2]" 1
372 1 65 TYR QD 1 69 GLN H 5.000 . 5.000 5.009 4.836 5.084 0.084 12 0 "[ . 1 . 2]" 1
373 1 98 TYR HA 1 98 TYR QE 5.000 . 5.000 4.452 4.281 4.563 . 0 0 "[ . 1 . 2]" 1
374 1 65 TYR QD 1 66 ASP HB2 4.890 . 4.890 4.862 4.125 4.970 0.080 20 0 "[ . 1 . 2]" 1
375 1 65 TYR QD 1 66 ASP HB3 4.090 . 4.090 3.906 3.222 4.101 0.011 3 0 "[ . 1 . 2]" 1
376 1 52 LEU MD2 1 98 TYR QE 4.510 . 4.510 3.726 2.650 4.140 . 0 0 "[ . 1 . 2]" 1
377 1 52 LEU MD1 1 98 TYR QE 4.510 . 4.510 3.732 3.028 4.565 0.055 17 0 "[ . 1 . 2]" 1
378 1 98 TYR QE 2 13 LEU HB2 4.980 . 4.980 4.630 3.955 4.991 0.011 2 0 "[ . 1 . 2]" 1
379 1 48 MET ME 1 98 TYR QE 3.920 . 3.920 3.834 3.576 3.955 0.035 19 0 "[ . 1 . 2]" 1
380 1 97 ILE HB 1 98 TYR QE 4.140 . 4.140 4.055 3.716 4.211 0.071 18 0 "[ . 1 . 2]" 1
381 1 58 TYR QD 1 59 ILE QG 4.360 . 4.360 3.227 2.894 3.733 . 0 0 "[ . 1 . 2]" 1
382 1 98 TYR HA 1 98 TYR QD 3.590 . 3.590 2.174 2.050 2.303 . 0 0 "[ . 1 . 2]" 1
383 1 95 ARG HA 1 98 TYR QD 3.970 . 3.970 2.310 1.994 4.009 0.039 2 0 "[ . 1 . 2]" 1
384 1 98 TYR QD 1 101 ILE MD 3.530 . 3.530 3.443 3.262 3.557 0.027 2 0 "[ . 1 . 2]" 1
385 1 72 ILE MG 1 74 TYR QD 4.080 . 4.080 3.337 2.584 3.637 . 0 0 "[ . 1 . 2]" 1
386 1 102 TYR QD 1 105 LEU MD1 3.850 . 3.850 3.212 2.559 3.701 . 0 0 "[ . 1 . 2]" 1
387 1 102 TYR QD 1 105 LEU MD2 3.870 . 3.870 3.564 2.791 3.895 0.025 19 0 "[ . 1 . 2]" 1
388 1 99 THR MG 1 102 TYR QD 4.000 . 4.000 2.820 2.625 2.977 . 0 0 "[ . 1 . 2]" 1
389 1 97 ILE HB 1 98 TYR QD 3.960 . 3.960 3.466 2.569 3.747 . 0 0 "[ . 1 . 2]" 1
390 1 102 TYR QD 1 105 LEU HG 4.530 . 4.530 3.984 3.748 4.291 . 0 0 "[ . 1 . 2]" 1
391 1 98 TYR QB 1 102 TYR QD 5.000 . 5.000 5.030 4.964 5.076 0.076 9 0 "[ . 1 . 2]" 1
392 1 99 THR HA 1 102 TYR QD 3.770 . 3.770 2.048 1.901 2.250 . 0 0 "[ . 1 . 2]" 1
393 1 102 TYR HA 1 102 TYR QD 3.590 . 3.590 3.276 3.153 3.384 . 0 0 "[ . 1 . 2]" 1
394 1 74 TYR HA 1 74 TYR QD 3.500 . 3.500 2.482 2.244 2.889 . 0 0 "[ . 1 . 2]" 1
395 1 66 ASP HA 1 74 TYR QD 4.650 . 4.650 3.127 2.862 3.535 . 0 0 "[ . 1 . 2]" 1
396 1 66 ASP H 1 74 TYR QD 4.230 . 4.230 3.989 3.432 4.294 0.064 13 0 "[ . 1 . 2]" 1
397 1 66 ASP HB2 1 74 TYR QD 4.620 . 4.620 3.541 2.524 4.277 . 0 0 "[ . 1 . 2]" 1
398 1 61 THR H 1 62 LYS H 3.790 . 3.790 2.619 2.563 2.727 . 0 0 "[ . 1 . 2]" 1
399 1 53 PHE H 1 54 TYR H 3.400 . 3.400 2.814 2.719 2.899 . 0 0 "[ . 1 . 2]" 1
400 1 48 MET H 1 49 LYS H 3.910 . 3.910 2.685 2.321 2.968 . 0 0 "[ . 1 . 2]" 1
401 1 34 LYS H 1 35 LEU H 3.560 . 3.560 2.692 2.602 2.944 . 0 0 "[ . 1 . 2]" 1
402 1 33 LEU H 1 34 LYS H 3.950 . 3.950 2.781 2.659 2.916 . 0 0 "[ . 1 . 2]" 1
403 1 32 LEU H 1 33 LEU H 3.690 . 3.690 2.409 2.319 2.560 . 0 0 "[ . 1 . 2]" 1
404 1 31 LEU H 1 32 LEU H 3.900 . 3.900 2.648 2.516 2.717 . 0 0 "[ . 1 . 2]" 1
405 1 105 LEU H 1 106 VAL H 4.640 . 4.640 4.447 4.372 4.526 . 0 0 "[ . 1 . 2]" 1
406 1 91 VAL H 2 6 PHE QE 5.000 . 5.000 5.020 4.795 5.157 0.157 10 0 "[ . 1 . 2]" 1
407 1 106 VAL H 1 107 VAL H 4.580 . 4.580 4.360 4.207 4.498 . 0 0 "[ . 1 . 2]" 1
408 1 104 ASN H 1 105 LEU H 3.370 . 3.370 2.223 2.094 2.346 . 0 0 "[ . 1 . 2]" 1
409 1 101 ILE H 1 102 TYR H 3.590 . 3.590 2.352 2.283 2.441 . 0 0 "[ . 1 . 2]" 1
410 1 102 TYR H 1 103 ARG H 3.330 . 3.330 2.705 2.643 2.771 . 0 0 "[ . 1 . 2]" 1
411 1 102 TYR H 1 102 TYR QD 3.530 . 3.530 3.565 3.536 3.596 0.066 15 0 "[ . 1 . 2]" 1
412 1 100 MET H 1 101 ILE H 3.510 . 3.510 2.521 2.455 2.599 . 0 0 "[ . 1 . 2]" 1
413 1 98 TYR H 1 99 THR H 3.670 . 3.670 2.753 2.617 2.866 . 0 0 "[ . 1 . 2]" 1
414 1 84 PHE H 1 85 GLY H 3.410 . 3.410 2.390 2.281 2.548 . 0 0 "[ . 1 . 2]" 1
415 1 83 LEU H 1 84 PHE H 3.640 . 3.640 2.780 2.641 3.019 . 0 0 "[ . 1 . 2]" 1
416 1 74 TYR QD 1 75 CYS H 4.600 . 4.600 4.012 3.843 4.309 . 0 0 "[ . 1 . 2]" 1
417 1 37 LYS H 1 38 SER H 3.540 . 3.540 2.499 2.460 2.542 . 0 0 "[ . 1 . 2]" 1
418 1 36 LEU H 1 37 LYS H 3.620 . 3.620 2.787 2.625 2.922 . 0 0 "[ . 1 . 2]" 1
419 1 51 VAL H 1 52 LEU H 3.400 . 3.400 2.644 2.496 2.838 . 0 0 "[ . 1 . 2]" 1
420 1 67 GLU H 1 68 LYS H 3.500 . 3.500 2.540 2.290 2.745 . 0 0 "[ . 1 . 2]" 1
421 1 50 GLU H 1 51 VAL H 3.810 . 3.810 2.517 2.366 2.681 . 0 0 "[ . 1 . 2]" 1
422 1 49 LYS H 1 50 GLU H 3.790 . 3.790 2.591 2.404 2.761 . 0 0 "[ . 1 . 2]" 1
423 1 50 GLU H 1 52 LEU H 5.000 . 5.000 4.170 4.010 4.365 . 0 0 "[ . 1 . 2]" 1
424 1 55 LEU H 1 56 GLY H 3.670 . 3.670 2.438 2.354 2.687 . 0 0 "[ . 1 . 2]" 1
425 1 54 TYR H 1 56 GLY H 4.600 . 4.600 4.001 3.873 4.150 . 0 0 "[ . 1 . 2]" 1
426 1 56 GLY H 1 57 GLN H 3.790 . 3.790 2.643 2.582 2.679 . 0 0 "[ . 1 . 2]" 1
427 1 57 GLN H 1 58 TYR H 3.710 . 3.710 2.641 2.465 2.704 . 0 0 "[ . 1 . 2]" 1
428 1 58 TYR H 1 59 ILE H 3.870 . 3.870 2.723 2.622 2.857 . 0 0 "[ . 1 . 2]" 1
429 1 65 TYR QD 1 66 ASP H 3.550 . 3.550 2.885 2.060 3.246 . 0 0 "[ . 1 . 2]" 1
430 1 104 ASN H 1 104 ASN HD21 3.920 . 3.920 3.038 2.814 3.177 . 0 0 "[ . 1 . 2]" 1
431 1 103 ARG H 1 104 ASN H 3.400 . 3.400 2.573 2.416 2.721 . 0 0 "[ . 1 . 2]" 1
432 1 74 TYR H 1 74 TYR QD 3.530 . 3.530 3.091 2.623 3.424 . 0 0 "[ . 1 . 2]" 1
433 1 82 ASP H 1 83 LEU H 3.290 . 3.290 2.742 2.530 2.939 . 0 0 "[ . 1 . 2]" 1
434 1 81 GLY H 1 82 ASP H 3.570 . 3.570 2.538 2.371 2.723 . 0 0 "[ . 1 . 2]" 1
435 1 61 THR H 1 63 ARG H 4.570 . 4.570 3.725 3.658 3.845 . 0 0 "[ . 1 . 2]" 1
436 1 42 GLN H 1 43 LYS H 3.760 . 3.760 2.095 1.826 2.334 . 0 0 "[ . 1 . 2]" 1
437 1 43 LYS H 1 45 THR H 5.000 . 5.000 5.045 4.918 5.107 0.107 1 0 "[ . 1 . 2]" 1
438 1 64 LEU H 1 65 TYR H 3.590 . 3.590 2.418 2.192 2.585 . 0 0 "[ . 1 . 2]" 1
439 1 65 TYR H 1 66 ASP H 4.720 . 4.720 4.484 4.422 4.563 . 0 0 "[ . 1 . 2]" 1
440 1 39 VAL H 1 40 GLY H 3.320 . 3.320 2.364 2.178 2.569 . 0 0 "[ . 1 . 2]" 1
441 1 38 SER H 1 39 VAL H 3.550 . 3.550 2.492 2.324 2.624 . 0 0 "[ . 1 . 2]" 1
442 1 71 HIS H 1 72 ILE H 3.490 . 3.490 2.714 2.406 2.932 . 0 0 "[ . 1 . 2]" 1
443 1 70 GLN H 1 71 HIS H 3.290 . 3.290 2.624 2.325 2.898 . 0 0 "[ . 1 . 2]" 1
444 1 9 ASP HA 1 10 GLY H 3.520 . 3.520 2.683 2.049 3.533 0.013 10 0 "[ . 1 . 2]" 1
445 1 11 ALA HA 1 12 VAL H 3.060 . 3.060 2.351 2.113 3.272 0.212 16 0 "[ . 1 . 2]" 1
446 1 11 ALA MB 1 12 VAL H 3.770 . 3.770 3.194 2.507 3.615 . 0 0 "[ . 1 . 2]" 1
447 1 18 PRO HB2 1 19 ALA H 4.010 . 4.010 3.468 2.651 3.756 . 0 0 "[ . 1 . 2]" 1
448 1 18 PRO HB3 1 19 ALA H 4.010 . 4.010 3.885 3.395 4.083 0.073 7 0 "[ . 1 . 2]" 1
449 1 19 ALA H 1 19 ALA MB 3.270 . 3.270 2.377 2.241 2.861 . 0 0 "[ . 1 . 2]" 1
450 1 18 PRO HA 1 19 ALA H 3.000 . 3.000 2.190 2.031 3.168 0.168 7 0 "[ . 1 . 2]" 1
451 1 19 ALA MB 1 20 SER H 4.040 . 4.040 3.061 2.217 3.650 . 0 0 "[ . 1 . 2]" 1
452 1 19 ALA HA 1 20 SER H 3.570 . 3.570 2.434 2.079 3.509 . 0 0 "[ . 1 . 2]" 1
453 1 25 LEU H 1 26 VAL H 4.720 . 4.720 4.468 4.280 4.624 . 0 0 "[ . 1 . 2]" 1
454 1 25 LEU HA 1 26 VAL H 3.310 . 3.310 2.148 2.007 2.317 . 0 0 "[ . 1 . 2]" 1
455 1 26 VAL HA 1 27 ARG H 3.130 . 3.130 2.247 2.065 2.371 . 0 0 "[ . 1 . 2]" 1
456 1 26 VAL HB 1 27 ARG H 3.640 . 3.640 2.628 2.272 2.937 . 0 0 "[ . 1 . 2]" 1
457 1 31 LEU HB2 1 32 LEU H 3.940 . 3.940 2.574 2.280 3.023 . 0 0 "[ . 1 . 2]" 1
458 1 31 LEU HB3 1 32 LEU H 3.940 . 3.940 3.686 3.489 3.944 0.004 7 0 "[ . 1 . 2]" 1
459 1 30 PRO HA 1 33 LEU H 3.960 . 3.960 3.454 3.228 3.831 . 0 0 "[ . 1 . 2]" 1
460 1 33 LEU HB3 1 34 LYS H 4.480 . 4.480 3.077 2.242 3.755 . 0 0 "[ . 1 . 2]" 1
461 1 34 LYS H 1 34 LYS HB3 3.670 . 3.670 2.479 2.250 2.658 . 0 0 "[ . 1 . 2]" 1
462 1 34 LYS HB2 1 35 LEU H 4.310 . 4.310 4.013 3.880 4.101 . 0 0 "[ . 1 . 2]" 1
463 1 34 LYS HB3 1 35 LEU H 4.310 . 4.310 3.677 2.482 4.155 . 0 0 "[ . 1 . 2]" 1
464 1 37 LYS QB 1 38 SER H 3.850 . 3.850 3.120 2.609 3.364 . 0 0 "[ . 1 . 2]" 1
465 1 39 VAL HA 1 40 GLY H 3.420 . 3.420 3.111 3.013 3.316 . 0 0 "[ . 1 . 2]" 1
466 1 39 VAL HB 1 40 GLY H 4.370 . 4.370 4.355 4.244 4.385 0.015 11 0 "[ . 1 . 2]" 1
467 1 42 GLN HB3 1 43 LYS H 4.810 . 4.810 4.051 3.653 4.349 . 0 0 "[ . 1 . 2]" 1
468 1 42 GLN HG3 1 43 LYS H 5.000 . 5.000 4.444 4.156 5.050 0.050 1 0 "[ . 1 . 2]" 1
469 1 42 GLN HB2 1 43 LYS H 3.840 . 3.840 3.114 2.533 3.650 . 0 0 "[ . 1 . 2]" 1
470 1 45 THR HA 1 46 TYR H 3.400 . 3.400 2.272 2.145 2.402 . 0 0 "[ . 1 . 2]" 1
471 1 45 THR HB 1 46 TYR H 3.340 . 3.340 2.718 2.441 3.248 . 0 0 "[ . 1 . 2]" 1
472 1 54 TYR HB3 1 55 LEU H 4.280 . 4.280 3.701 3.445 3.865 . 0 0 "[ . 1 . 2]" 1
473 1 54 TYR H 1 55 LEU H 3.690 . 3.690 2.662 2.589 2.775 . 0 0 "[ . 1 . 2]" 1
474 1 55 LEU HB2 1 56 GLY H 4.030 . 4.030 3.635 3.448 3.725 . 0 0 "[ . 1 . 2]" 1
475 1 61 THR MG 1 62 LYS H 3.100 . 3.100 2.396 2.314 2.498 . 0 0 "[ . 1 . 2]" 1
476 1 63 ARG QB 1 64 LEU H 4.280 . 4.280 3.869 3.830 3.921 . 0 0 "[ . 1 . 2]" 1
477 1 69 GLN HA 1 71 HIS H 4.530 . 4.530 3.736 3.472 4.274 . 0 0 "[ . 1 . 2]" 1
478 1 73 VAL HA 1 74 TYR H 3.410 . 3.410 2.222 2.140 2.351 . 0 0 "[ . 1 . 2]" 1
479 1 79 LEU HA 1 82 ASP H 3.850 . 3.850 3.624 2.931 3.861 0.011 12 0 "[ . 1 . 2]" 1
480 1 82 ASP HB2 1 83 LEU H 3.870 . 3.870 3.677 3.496 3.829 . 0 0 "[ . 1 . 2]" 1
481 1 82 ASP HB3 1 83 LEU H 3.870 . 3.870 2.328 2.091 2.562 . 0 0 "[ . 1 . 2]" 1
482 1 83 LEU HB3 1 84 PHE H 3.510 . 3.510 2.609 2.225 3.517 0.007 9 0 "[ . 1 . 2]" 1
483 1 88 SER HA 1 89 PHE H 3.290 . 3.290 2.454 2.193 2.672 . 0 0 "[ . 1 . 2]" 1
484 1 88 SER HB2 1 89 PHE H 3.890 . 3.890 3.087 2.310 3.918 0.028 11 0 "[ . 1 . 2]" 1
485 1 88 SER HB3 1 89 PHE H 3.890 . 3.890 3.491 2.521 3.946 0.056 9 0 "[ . 1 . 2]" 1
486 1 89 PHE HA 1 90 SER H 3.230 . 3.230 2.279 2.108 2.449 . 0 0 "[ . 1 . 2]" 1
487 1 89 PHE HB2 1 90 SER H 4.390 . 4.390 2.772 2.450 4.103 . 0 0 "[ . 1 . 2]" 1
488 1 92 LYS HB2 1 93 GLU H 4.480 . 4.480 3.364 2.961 4.071 . 0 0 "[ . 1 . 2]" 1
489 1 92 LYS HB3 1 93 GLU H 4.480 . 4.480 4.019 3.422 4.273 . 0 0 "[ . 1 . 2]" 1
490 1 93 GLU HB3 1 94 HIS H 4.070 . 4.070 3.710 3.070 4.110 0.040 3 0 "[ . 1 . 2]" 1
491 1 93 GLU HB2 1 94 HIS H 4.070 . 4.070 4.092 3.649 4.176 0.106 7 0 "[ . 1 . 2]" 1
492 1 96 LYS QB 1 97 ILE H 3.790 . 3.790 2.794 2.527 3.182 . 0 0 "[ . 1 . 2]" 1
493 1 95 ARG HA 1 97 ILE H 4.440 . 4.440 4.143 3.821 4.420 . 0 0 "[ . 1 . 2]" 1
494 1 97 ILE HB 1 98 TYR H 3.540 . 3.540 2.373 2.213 2.496 . 0 0 "[ . 1 . 2]" 1
495 1 99 THR HB 1 100 MET H 3.800 . 3.800 3.758 3.635 3.824 0.024 20 0 "[ . 1 . 2]" 1
496 1 104 ASN HB3 1 105 LEU H 4.450 . 4.450 4.181 3.887 4.317 . 0 0 "[ . 1 . 2]" 1
497 1 104 ASN HB2 1 105 LEU H 4.130 . 4.130 3.754 3.376 3.864 . 0 0 "[ . 1 . 2]" 1
498 1 105 LEU HB3 1 106 VAL H 4.110 . 4.110 3.811 3.564 3.988 . 0 0 "[ . 1 . 2]" 1
499 1 106 VAL HA 1 107 VAL H 2.740 . 2.740 2.096 1.990 2.403 . 0 0 "[ . 1 . 2]" 1
500 1 16 GLN HA 1 17 ILE H 2.770 . 2.770 2.203 2.074 2.550 . 0 0 "[ . 1 . 2]" 1
501 1 60 MET HA 1 63 ARG H 3.530 . 3.530 3.520 3.377 3.602 0.072 10 0 "[ . 1 . 2]" 1
502 1 97 ILE H 1 98 TYR QD 5.000 . 5.000 4.900 4.505 5.023 0.023 11 0 "[ . 1 . 2]" 1
503 1 92 LYS H 1 93 GLU H 3.470 . 3.470 2.572 2.366 2.838 . 0 0 "[ . 1 . 2]" 1
504 1 80 LEU H 1 81 GLY H 4.880 . 4.880 3.090 2.789 3.256 . 0 0 "[ . 1 . 2]" 1
505 1 75 CYS H 1 76 SER H 3.370 . 3.370 2.773 2.610 3.461 0.091 17 0 "[ . 1 . 2]" 1
506 1 74 TYR QD 1 76 SER H 5.000 . 5.000 4.633 3.790 5.039 0.039 17 0 "[ . 1 . 2]" 1
507 1 76 SER H 1 76 SER QB 3.190 . 3.190 2.489 2.209 3.230 0.040 17 0 "[ . 1 . 2]" 1
508 1 97 ILE H 1 98 TYR H 3.490 . 3.490 2.631 2.314 2.776 . 0 0 "[ . 1 . 2]" 1
509 1 38 SER H 1 40 GLY H 4.170 . 4.170 3.995 3.703 4.165 . 0 0 "[ . 1 . 2]" 1
510 1 40 GLY H 1 41 ALA H 3.040 . 3.040 2.280 2.045 2.437 . 0 0 "[ . 1 . 2]" 1
511 1 56 GLY H 2 10 TRP HD1 3.950 . 3.950 3.772 3.606 3.918 . 0 0 "[ . 1 . 2]" 1
512 1 56 GLY H 2 10 TRP HZ2 4.490 . 4.490 4.203 3.987 4.360 . 0 0 "[ . 1 . 2]" 1
513 1 81 GLY H 1 83 LEU H 4.800 . 4.800 4.232 3.874 4.449 . 0 0 "[ . 1 . 2]" 1
514 1 82 ASP H 1 85 GLY H 5.000 . 5.000 4.913 4.804 4.966 . 0 0 "[ . 1 . 2]" 1
515 1 83 LEU H 1 85 GLY H 4.190 . 4.190 3.859 3.768 4.047 . 0 0 "[ . 1 . 2]" 1
516 1 85 GLY H 1 86 VAL H 3.400 . 3.400 2.016 1.909 2.113 . 0 0 "[ . 1 . 2]" 1
517 1 84 PHE H 1 86 VAL H 4.120 . 4.120 3.715 3.496 3.968 . 0 0 "[ . 1 . 2]" 1
518 1 45 THR H 1 46 TYR H 4.600 . 4.600 4.324 4.252 4.488 . 0 0 "[ . 1 . 2]" 1
519 1 88 SER H 1 89 PHE H 4.490 . 4.490 4.285 4.187 4.483 . 0 0 "[ . 1 . 2]" 1
520 1 90 SER H 1 93 GLU H 5.000 . 5.000 4.728 4.229 5.127 0.127 14 0 "[ . 1 . 2]" 1
521 1 91 VAL H 1 92 LYS H 4.270 . 4.270 2.683 2.461 3.009 . 0 0 "[ . 1 . 2]" 1
522 1 37 LYS H 1 39 VAL H 4.520 . 4.520 4.042 3.886 4.188 . 0 0 "[ . 1 . 2]" 1
523 1 41 ALA H 1 42 GLN H 4.920 . 4.920 4.440 4.270 4.603 . 0 0 "[ . 1 . 2]" 1
524 1 104 ASN H 1 104 ASN HD22 4.520 . 4.520 4.414 4.222 4.537 0.017 18 0 "[ . 1 . 2]" 1
525 1 102 TYR QD 1 104 ASN H 4.910 . 4.910 4.966 4.941 4.990 0.080 15 0 "[ . 1 . 2]" 1
526 1 78 ASP H 1 79 LEU H 4.860 . 4.860 4.353 4.252 4.440 . 0 0 "[ . 1 . 2]" 1
527 1 35 LEU H 1 36 LEU H 3.850 . 3.850 2.397 2.301 2.543 . 0 0 "[ . 1 . 2]" 1
528 1 60 MET H 1 61 THR H 3.740 . 3.740 2.579 2.532 2.648 . 0 0 "[ . 1 . 2]" 1
529 1 59 ILE H 1 60 MET H 3.880 . 3.880 2.437 2.388 2.502 . 0 0 "[ . 1 . 2]" 1
530 1 6 VAL H 1 6 VAL HB 3.980 . 3.980 3.714 3.582 3.912 . 0 0 "[ . 1 . 2]" 1
531 1 5 SER HA 1 6 VAL H 3.160 . 3.160 2.393 2.093 3.351 0.191 11 0 "[ . 1 . 2]" 1
532 1 5 SER QB 1 6 VAL H 3.830 . 3.830 3.469 2.261 3.863 0.033 16 0 "[ . 1 . 2]" 1
533 1 96 LYS H 1 99 THR H 5.000 . 5.000 4.661 4.562 4.825 . 0 0 "[ . 1 . 2]" 1
534 1 98 TYR QD 1 99 THR H 4.270 . 4.270 4.234 4.013 4.330 0.060 19 0 "[ . 1 . 2]" 1
535 1 68 LYS H 1 69 GLN H 3.040 . 3.040 2.016 1.857 2.208 . 0 0 "[ . 1 . 2]" 1
536 1 33 LEU HA 1 36 LEU H 4.530 . 4.530 3.500 3.222 3.723 . 0 0 "[ . 1 . 2]" 1
537 1 21 GLU HA 1 22 GLN H 3.220 . 3.220 2.511 2.054 3.378 0.158 14 0 "[ . 1 . 2]" 1
538 1 37 LYS HA 1 40 GLY H 4.120 . 4.120 3.281 2.459 3.611 . 0 0 "[ . 1 . 2]" 1
539 1 38 SER QB 1 40 GLY H 5.000 . 5.000 4.677 4.527 4.949 . 0 0 "[ . 1 . 2]" 1
540 1 40 GLY H 1 41 ALA HA 5.000 . 5.000 4.904 4.614 5.002 0.002 8 0 "[ . 1 . 2]" 1
541 1 37 LYS QB 1 40 GLY H 5.000 . 5.000 4.730 4.204 5.036 0.036 15 0 "[ . 1 . 2]" 1
542 1 40 GLY H 1 41 ALA MB 4.180 . 4.180 4.061 3.712 4.163 . 0 0 "[ . 1 . 2]" 1
543 1 53 PHE HA 1 56 GLY H 4.660 . 4.660 4.158 3.923 4.349 . 0 0 "[ . 1 . 2]" 1
544 1 56 GLY H 1 57 GLN QB 5.000 . 5.000 4.811 4.727 4.880 . 0 0 "[ . 1 . 2]" 1
545 1 56 GLY H 1 59 ILE MD 4.760 . 4.760 4.459 4.163 4.751 . 0 0 "[ . 1 . 2]" 1
546 1 81 GLY H 1 82 ASP HB2 5.000 . 5.000 4.825 4.522 5.035 0.035 15 0 "[ . 1 . 2]" 1
547 1 78 ASP QB 1 81 GLY H 4.040 . 4.040 3.519 3.042 3.897 . 0 0 "[ . 1 . 2]" 1
548 1 81 GLY H 1 82 ASP HB3 5.000 . 5.000 4.766 4.549 4.912 . 0 0 "[ . 1 . 2]" 1
549 1 80 LEU HG 1 81 GLY H 4.880 . 4.880 3.696 2.083 4.909 0.029 20 0 "[ . 1 . 2]" 1
550 1 80 LEU MD1 1 81 GLY H 4.620 . 4.620 3.792 1.699 4.556 . 0 0 "[ . 1 . 2]" 1
551 1 80 LEU MD2 1 81 GLY H 4.620 . 4.620 3.447 2.528 4.072 . 0 0 "[ . 1 . 2]" 1
552 1 71 HIS H 1 71 HIS HB2 3.830 . 3.830 3.603 2.753 3.718 . 0 0 "[ . 1 . 2]" 1
553 1 71 HIS H 1 71 HIS HB3 3.830 . 3.830 2.682 2.473 3.594 . 0 0 "[ . 1 . 2]" 1
554 1 71 HIS H 1 72 ILE HB 4.850 . 4.850 4.760 4.544 4.876 0.026 2 0 "[ . 1 . 2]" 1
555 1 71 HIS H 1 72 ILE MD 5.000 . 5.000 5.058 5.020 5.109 0.109 16 0 "[ . 1 . 2]" 1
556 1 82 ASP HA 1 85 GLY H 3.770 . 3.770 3.661 3.324 3.832 0.062 18 0 "[ . 1 . 2]" 1
557 1 84 PHE HB2 1 85 GLY H 3.460 . 3.460 3.389 2.917 3.628 0.168 19 0 "[ . 1 . 2]" 1
558 1 84 PHE HB3 1 85 GLY H 4.360 . 4.360 3.103 2.596 3.821 . 0 0 "[ . 1 . 2]" 1
559 1 85 GLY H 1 86 VAL MG2 3.970 . 3.970 3.282 2.973 3.483 . 0 0 "[ . 1 . 2]" 1
560 1 83 LEU HB2 1 85 GLY H 5.000 . 5.000 5.014 4.557 5.123 0.123 3 0 "[ . 1 . 2]" 1
561 1 83 LEU HB3 1 85 GLY H 4.980 . 4.980 4.502 4.259 4.986 0.006 9 0 "[ . 1 . 2]" 1
562 1 82 ASP H 1 86 VAL H 4.850 . 4.850 4.712 4.583 4.883 0.033 20 0 "[ . 1 . 2]" 1
563 1 84 PHE HB3 1 86 VAL H 3.830 . 3.830 3.441 3.014 3.949 0.119 7 0 "[ . 1 . 2]" 1
564 1 86 VAL H 1 86 VAL HB 3.860 . 3.860 3.930 3.913 3.957 0.097 17 0 "[ . 1 . 2]" 1
565 1 86 VAL H 1 86 VAL MG1 3.750 . 3.750 3.247 3.047 3.755 0.005 20 0 "[ . 1 . 2]" 1
566 1 86 VAL H 1 86 VAL MG2 2.920 . 2.920 2.380 2.258 2.691 . 0 0 "[ . 1 . 2]" 1
567 1 43 LYS HA 1 45 THR H 4.190 . 4.190 3.746 3.421 4.074 . 0 0 "[ . 1 . 2]" 1
568 1 45 THR H 1 45 THR HB 3.860 . 3.860 3.601 2.932 3.730 . 0 0 "[ . 1 . 2]" 1
569 1 43 LYS QE 1 45 THR H 4.830 . 4.830 3.827 2.931 4.957 0.127 19 0 "[ . 1 . 2]" 1
570 1 43 LYS HB2 1 45 THR H 4.120 . 4.120 3.352 3.051 3.681 . 0 0 "[ . 1 . 2]" 1
571 1 43 LYS HB3 1 45 THR H 4.120 . 4.120 2.283 1.839 2.535 . 0 0 "[ . 1 . 2]" 1
572 1 45 THR H 1 45 THR MG 3.610 . 3.610 3.392 3.196 3.734 0.124 8 0 "[ . 1 . 2]" 1
573 1 25 LEU MD1 1 45 THR H 5.000 . 5.000 4.869 4.135 5.081 0.081 14 0 "[ . 1 . 2]" 1
574 1 25 LEU MD2 1 45 THR H 5.000 . 5.000 4.853 4.393 5.100 0.100 4 0 "[ . 1 . 2]" 1
575 1 86 VAL HA 1 88 SER H 3.980 . 3.980 3.968 3.778 4.102 0.122 6 0 "[ . 1 . 2]" 1
576 1 88 SER H 1 89 PHE HA 4.940 . 4.940 4.483 4.297 4.897 . 0 0 "[ . 1 . 2]" 1
577 1 74 TYR HA 1 88 SER H 5.000 . 5.000 4.940 4.532 5.078 0.078 1 0 "[ . 1 . 2]" 1
578 1 87 PRO HD2 1 88 SER H 3.380 . 3.380 2.068 1.888 2.657 . 0 0 "[ . 1 . 2]" 1
579 1 87 PRO HD3 1 88 SER H 4.190 . 4.190 3.427 3.331 3.663 . 0 0 "[ . 1 . 2]" 1
580 1 86 VAL HB 1 88 SER H 3.380 . 3.380 2.254 1.965 2.438 . 0 0 "[ . 1 . 2]" 1
581 1 86 VAL MG2 1 88 SER H 3.120 . 3.120 2.848 2.367 3.147 0.027 16 0 "[ . 1 . 2]" 1
582 1 47 THR H 1 47 THR MG 3.470 . 3.470 2.564 2.183 2.961 . 0 0 "[ . 1 . 2]" 1
583 1 46 TYR HB3 1 47 THR H 4.030 . 4.030 3.353 2.598 4.035 0.005 18 0 "[ . 1 . 2]" 1
584 1 46 TYR HB2 1 47 THR H 4.030 . 4.030 3.159 2.267 3.979 . 0 0 "[ . 1 . 2]" 1
585 1 47 THR H 1 47 THR HB 4.180 . 4.180 3.587 3.520 3.643 . 0 0 "[ . 1 . 2]" 1
586 1 47 THR H 1 50 GLU H 4.380 . 4.380 3.410 3.096 3.651 . 0 0 "[ . 1 . 2]" 1
587 1 47 THR H 1 51 VAL H 4.680 . 4.680 4.457 3.841 4.733 0.053 10 0 "[ . 1 . 2]" 1
588 1 46 TYR H 1 47 THR H 4.390 . 4.390 4.313 4.234 4.397 0.007 8 0 "[ . 1 . 2]" 1
589 1 90 SER H 1 91 VAL H 4.620 . 4.620 4.366 4.235 4.466 . 0 0 "[ . 1 . 2]" 1
590 1 90 SER H 1 91 VAL HA 5.000 . 5.000 4.992 4.887 5.052 0.052 12 0 "[ . 1 . 2]" 1
591 1 89 PHE HB3 1 90 SER H 4.390 . 4.390 3.972 3.777 4.296 . 0 0 "[ . 1 . 2]" 1
592 1 90 SER H 1 93 GLU HG2 5.000 . 5.000 4.466 3.647 5.049 0.049 20 0 "[ . 1 . 2]" 1
593 1 90 SER H 1 93 GLU HG3 5.000 . 5.000 4.535 4.020 5.012 0.012 15 0 "[ . 1 . 2]" 1
594 1 72 ILE MD 1 90 SER H 5.000 . 5.000 4.708 4.514 5.051 0.051 20 0 "[ . 1 . 2]" 1
595 1 90 SER H 1 100 MET ME 4.600 . 4.600 4.481 4.033 4.749 0.149 14 0 "[ . 1 . 2]" 1
596 1 60 MET HA 1 65 TYR H 5.000 . 5.000 4.700 4.135 5.034 0.034 1 0 "[ . 1 . 2]" 1
597 1 65 TYR H 1 73 VAL HA 5.000 . 5.000 4.626 4.415 5.038 0.038 19 0 "[ . 1 . 2]" 1
598 1 63 ARG HA 1 65 TYR H 4.020 . 4.020 2.923 2.535 3.093 . 0 0 "[ . 1 . 2]" 1
599 1 65 TYR H 1 65 TYR HB2 3.720 . 3.720 3.581 2.313 3.751 0.031 5 0 "[ . 1 . 2]" 1
600 1 65 TYR H 1 65 TYR HB3 3.720 . 3.720 2.930 2.769 3.100 . 0 0 "[ . 1 . 2]" 1
601 1 63 ARG QB 1 65 TYR H 4.070 . 4.070 3.835 3.544 4.098 0.028 3 0 "[ . 1 . 2]" 1
602 1 64 LEU HB2 1 65 TYR H 3.830 . 3.830 3.594 3.264 3.855 0.025 19 0 "[ . 1 . 2]" 1
603 1 59 ILE MG 1 65 TYR H 3.740 . 3.740 3.180 2.741 3.750 0.010 19 0 "[ . 1 . 2]" 1
604 1 39 VAL H 1 39 VAL MG1 3.880 . 3.880 2.674 2.178 2.887 . 0 0 "[ . 1 . 2]" 1
605 1 39 VAL H 1 39 VAL MG2 3.880 . 3.880 2.188 2.017 3.890 0.010 16 0 "[ . 1 . 2]" 1
606 1 39 VAL H 1 39 VAL HB 3.810 . 3.810 3.719 2.956 3.817 0.007 9 0 "[ . 1 . 2]" 1
607 1 36 LEU HA 1 39 VAL H 4.730 . 4.730 3.675 3.416 3.889 . 0 0 "[ . 1 . 2]" 1
608 1 37 LYS HA 1 39 VAL H 4.970 . 4.970 3.724 3.371 4.061 . 0 0 "[ . 1 . 2]" 1
609 1 38 SER QB 1 39 VAL H 4.110 . 4.110 3.155 2.869 3.775 . 0 0 "[ . 1 . 2]" 1
610 1 39 VAL H 1 41 ALA MB 4.400 . 4.400 4.284 4.076 4.416 0.016 7 0 "[ . 1 . 2]" 1
611 1 92 LYS H 1 92 LYS HG2 4.960 . 4.960 2.919 2.193 4.533 . 0 0 "[ . 1 . 2]" 1
612 1 92 LYS H 1 92 LYS HD3 5.000 . 5.000 3.708 3.025 4.442 . 0 0 "[ . 1 . 2]" 1
613 1 91 VAL HB 1 92 LYS H 4.520 . 4.520 4.104 3.875 4.271 . 0 0 "[ . 1 . 2]" 1
614 1 92 LYS H 1 92 LYS HB2 4.130 . 4.130 2.430 2.155 2.622 . 0 0 "[ . 1 . 2]" 1
615 1 60 MET HA 1 64 LEU H 4.750 . 4.750 4.053 3.791 4.418 . 0 0 "[ . 1 . 2]" 1
616 1 59 ILE HA 1 64 LEU H 4.190 . 4.190 3.367 3.185 3.635 . 0 0 "[ . 1 . 2]" 1
617 1 71 HIS HA 1 92 LYS H 5.000 . 5.000 4.867 4.515 5.071 0.071 20 0 "[ . 1 . 2]" 1
618 1 92 LYS H 1 92 LYS HB3 4.130 . 4.130 3.582 3.332 3.696 . 0 0 "[ . 1 . 2]" 1
619 1 64 LEU H 1 64 LEU HB2 3.600 . 3.600 2.513 2.379 2.632 . 0 0 "[ . 1 . 2]" 1
620 1 8 THR H 1 8 THR MG 3.960 . 3.960 3.398 2.415 3.962 0.002 17 0 "[ . 1 . 2]" 1
621 1 99 THR H 1 99 THR MG 3.220 . 3.220 2.577 2.421 2.722 . 0 0 "[ . 1 . 2]" 1
622 1 96 LYS QB 1 99 THR H 5.000 . 5.000 4.815 4.629 5.027 0.027 14 0 "[ . 1 . 2]" 1
623 1 48 MET ME 1 99 THR H 5.000 . 5.000 5.075 5.018 5.137 0.137 20 0 "[ . 1 . 2]" 1
624 1 96 LYS QD 1 99 THR H 5.000 . 5.000 4.934 4.554 5.151 0.151 20 0 "[ . 1 . 2]" 1
625 1 97 ILE HB 1 99 THR H 5.000 . 5.000 4.939 4.741 5.022 0.022 13 0 "[ . 1 . 2]" 1
626 1 98 TYR QB 1 99 THR H 3.520 . 3.520 2.443 2.338 2.660 . 0 0 "[ . 1 . 2]" 1
627 1 97 ILE HA 1 99 THR H 5.000 . 5.000 4.518 4.249 4.669 . 0 0 "[ . 1 . 2]" 1
628 1 73 VAL HB 1 89 PHE H 4.120 . 4.120 3.173 2.678 3.724 . 0 0 "[ . 1 . 2]" 1
629 1 73 VAL MG2 1 89 PHE H 5.000 . 5.000 4.449 3.814 4.952 . 0 0 "[ . 1 . 2]" 1
630 1 72 ILE MG 1 89 PHE H 4.500 . 4.500 4.192 3.903 4.412 . 0 0 "[ . 1 . 2]" 1
631 1 96 LYS HA 1 99 THR H 3.880 . 3.880 3.226 2.894 3.485 . 0 0 "[ . 1 . 2]" 1
632 1 99 THR H 1 99 THR HB 3.650 . 3.650 3.604 3.563 3.664 0.014 13 0 "[ . 1 . 2]" 1
633 1 74 TYR QD 1 89 PHE H 5.000 . 5.000 4.933 4.213 5.126 0.126 18 0 "[ . 1 . 2]" 1
634 1 73 VAL H 1 89 PHE H 3.860 . 3.860 3.249 3.129 3.352 . 0 0 "[ . 1 . 2]" 1
635 1 89 PHE H 1 90 SER H 4.370 . 4.370 4.341 4.167 4.443 0.073 19 0 "[ . 1 . 2]" 1
636 1 99 THR H 1 102 TYR QD 5.000 . 5.000 4.760 4.569 4.961 . 0 0 "[ . 1 . 2]" 1
637 1 74 TYR HA 1 89 PHE H 4.240 . 4.240 3.307 2.732 3.597 . 0 0 "[ . 1 . 2]" 1
638 1 73 VAL MG1 1 89 PHE H 5.000 . 5.000 4.015 3.876 4.224 . 0 0 "[ . 1 . 2]" 1
639 1 83 LEU HA 1 104 ASN HD22 5.000 . 5.000 4.692 3.960 5.076 0.076 18 0 "[ . 1 . 2]" 1
640 1 103 ARG QB 1 104 ASN HD22 4.940 . 4.940 3.532 3.037 3.835 . 0 0 "[ . 1 . 2]" 1
641 1 103 ARG QG 1 104 ASN HD22 4.610 . 4.610 3.643 3.056 4.201 . 0 0 "[ . 1 . 2]" 1
642 1 83 LEU HB3 1 104 ASN HD22 4.920 . 4.920 3.828 3.464 4.098 . 0 0 "[ . 1 . 2]" 1
643 1 83 LEU HG 1 104 ASN HD22 5.000 . 5.000 2.452 1.936 3.958 . 0 0 "[ . 1 . 2]" 1
644 1 83 LEU HB2 1 104 ASN HD22 5.000 . 5.000 4.847 4.474 5.087 0.087 11 0 "[ . 1 . 2]" 1
645 1 32 LEU MD1 1 104 ASN HD22 4.470 . 4.470 3.996 3.091 4.482 0.012 19 0 "[ . 1 . 2]" 1
646 1 32 LEU MD1 1 104 ASN HD21 4.390 . 4.390 3.728 2.896 4.407 0.017 1 0 "[ . 1 . 2]" 1
647 1 103 ARG QB 1 104 ASN HD21 4.640 . 4.640 2.885 2.601 3.093 . 0 0 "[ . 1 . 2]" 1
648 1 103 ARG QG 1 104 ASN HD21 4.090 . 4.090 3.852 3.416 4.112 0.022 18 0 "[ . 1 . 2]" 1
649 1 83 LEU HB3 1 104 ASN HD21 5.000 . 5.000 4.864 3.901 5.098 0.098 12 0 "[ . 1 . 2]" 1
650 1 83 LEU HG 1 104 ASN HD21 5.000 . 5.000 3.892 3.506 5.160 0.160 6 0 "[ . 1 . 2]" 1
651 1 61 THR H 1 61 THR HB 3.630 . 3.630 2.549 2.477 2.710 . 0 0 "[ . 1 . 2]" 1
652 1 60 MET QB 1 61 THR H 3.300 . 3.300 2.468 2.231 2.642 . 0 0 "[ . 1 . 2]" 1
653 1 60 MET HG2 1 61 THR H 5.000 . 5.000 4.398 3.552 5.014 0.014 14 0 "[ . 1 . 2]" 1
654 1 60 MET HG3 1 61 THR H 5.000 . 5.000 4.714 4.297 5.005 0.005 19 0 "[ . 1 . 2]" 1
655 1 59 ILE HB 1 61 THR H 4.950 . 4.950 5.015 4.979 5.056 0.106 17 0 "[ . 1 . 2]" 1
656 1 61 THR H 1 61 THR MG 3.380 . 3.380 2.207 2.114 2.292 . 0 0 "[ . 1 . 2]" 1
657 1 61 THR H 1 62 LYS HG2 4.930 . 4.930 4.303 4.078 4.564 . 0 0 "[ . 1 . 2]" 1
658 1 67 GLU QG 1 68 LYS H 3.630 . 3.630 2.734 2.451 3.635 0.005 6 0 "[ . 1 . 2]" 1
659 1 57 GLN HA 1 57 GLN HE21 4.770 . 4.770 4.221 4.121 4.334 . 0 0 "[ . 1 . 2]" 1
660 1 57 GLN HA 1 57 GLN HE22 4.770 . 4.770 4.238 4.106 4.345 . 0 0 "[ . 1 . 2]" 1
661 1 54 TYR HA 1 57 GLN HE21 5.000 . 5.000 3.437 3.343 3.483 . 0 0 "[ . 1 . 2]" 1
662 1 60 MET H 1 62 LYS H 4.900 . 4.900 4.092 3.968 4.189 . 0 0 "[ . 1 . 2]" 1
663 1 60 MET H 2 6 PHE QE 4.190 . 4.190 3.223 2.901 3.688 . 0 0 "[ . 1 . 2]" 1
664 1 60 MET H 2 6 PHE QD 4.960 . 4.960 4.611 4.227 4.977 0.017 5 0 "[ . 1 . 2]" 1
665 1 68 LYS H 1 69 GLN HA 4.970 . 4.970 4.751 4.631 4.872 . 0 0 "[ . 1 . 2]" 1
666 1 66 ASP HB2 1 68 LYS H 5.000 . 5.000 4.432 4.184 4.730 . 0 0 "[ . 1 . 2]" 1
667 1 68 LYS H 1 68 LYS QE 4.740 . 4.740 3.906 2.921 4.765 0.025 2 0 "[ . 1 . 2]" 1
668 1 68 LYS H 1 68 LYS HG2 3.550 . 3.550 2.151 1.868 3.643 0.093 12 0 "[ . 1 . 2]" 1
669 1 68 LYS H 1 68 LYS HG3 3.550 . 3.550 3.500 2.041 3.658 0.108 17 0 "[ . 1 . 2]" 1
670 1 68 LYS H 1 68 LYS QD 3.920 . 3.920 2.989 1.786 3.611 . 0 0 "[ . 1 . 2]" 1
671 1 60 MET H 1 60 MET QB 3.220 . 3.220 2.254 2.139 2.487 . 0 0 "[ . 1 . 2]" 1
672 1 56 GLY HA3 1 60 MET H 5.000 . 5.000 4.921 4.736 5.048 0.048 10 0 "[ . 1 . 2]" 1
673 1 59 ILE MD 1 60 MET H 4.700 . 4.700 4.459 4.376 4.568 . 0 0 "[ . 1 . 2]" 1
674 1 59 ILE MG 1 60 MET H 4.140 . 4.140 3.680 3.520 3.839 . 0 0 "[ . 1 . 2]" 1
675 1 59 ILE QG 1 60 MET H 4.550 . 4.550 3.749 3.653 3.867 . 0 0 "[ . 1 . 2]" 1
676 1 74 TYR HA 1 76 SER H 4.780 . 4.780 4.090 3.874 4.228 . 0 0 "[ . 1 . 2]" 1
677 1 56 GLY HA2 1 60 MET H 5.000 . 5.000 4.041 3.905 4.153 . 0 0 "[ . 1 . 2]" 1
678 1 59 ILE HB 1 60 MET H 3.880 . 3.880 2.539 2.477 2.622 . 0 0 "[ . 1 . 2]" 1
679 1 60 MET H 1 61 THR MG 4.620 . 4.620 3.955 3.844 4.031 . 0 0 "[ . 1 . 2]" 1
680 1 102 TYR QD 1 103 ARG H 3.960 . 3.960 2.786 2.703 2.911 . 0 0 "[ . 1 . 2]" 1
681 1 76 SER H 1 78 ASP QB 5.000 . 5.000 4.849 4.153 5.070 0.070 4 0 "[ . 1 . 2]" 1
682 1 101 ILE MG 1 103 ARG H 4.920 . 4.920 4.936 4.904 4.973 0.053 13 0 "[ . 1 . 2]" 1
683 1 103 ARG H 1 103 ARG QG 4.100 . 4.100 3.956 3.907 4.002 . 0 0 "[ . 1 . 2]" 1
684 1 99 THR MG 1 103 ARG H 5.000 . 5.000 5.000 4.929 5.043 0.043 4 0 "[ . 1 . 2]" 1
685 1 103 ARG H 1 105 LEU MD2 4.980 . 4.980 4.611 4.392 4.814 . 0 0 "[ . 1 . 2]" 1
686 1 103 ARG H 1 104 ASN HB2 5.000 . 5.000 4.671 4.435 4.853 . 0 0 "[ . 1 . 2]" 1
687 1 100 MET HA 1 103 ARG H 4.780 . 4.780 3.673 3.411 3.966 . 0 0 "[ . 1 . 2]" 1
688 1 102 TYR QE 1 103 ARG H 4.670 . 4.670 4.626 4.417 4.694 0.024 3 0 "[ . 1 . 2]" 1
689 1 103 ARG H 1 105 LEU H 4.350 . 4.350 4.094 3.882 4.270 . 0 0 "[ . 1 . 2]" 1
690 1 100 MET H 1 103 ARG H 5.000 . 5.000 4.604 4.435 4.733 . 0 0 "[ . 1 . 2]" 1
691 1 103 ARG H 1 104 ASN HD21 5.000 . 5.000 4.159 3.963 4.283 . 0 0 "[ . 1 . 2]" 1
692 1 75 CYS H 1 75 CYS HB3 4.130 . 4.130 3.597 3.057 4.065 . 0 0 "[ . 1 . 2]" 1
693 1 74 TYR HB3 1 75 CYS H 4.010 . 4.010 3.125 2.763 3.385 . 0 0 "[ . 1 . 2]" 1
694 1 74 TYR HB2 1 75 CYS H 4.010 . 4.010 2.192 1.952 2.498 . 0 0 "[ . 1 . 2]" 1
695 1 75 CYS H 1 75 CYS HB2 4.130 . 4.130 3.733 3.003 4.059 . 0 0 "[ . 1 . 2]" 1
696 1 104 ASN H 1 104 ASN HB3 3.660 . 3.660 3.677 3.621 3.716 0.056 4 0 "[ . 1 . 2]" 1
697 1 104 ASN H 1 104 ASN HB2 3.840 . 3.840 2.502 2.412 2.595 . 0 0 "[ . 1 . 2]" 1
698 1 38 SER H 1 38 SER QB 3.320 . 3.320 2.437 2.370 2.707 . 0 0 "[ . 1 . 2]" 1
699 1 63 ARG H 1 63 ARG QB 3.460 . 3.460 3.343 3.150 3.419 . 0 0 "[ . 1 . 2]" 1
700 1 61 THR MG 1 63 ARG H 4.110 . 4.110 4.095 4.042 4.139 0.029 1 0 "[ . 1 . 2]" 1
701 1 103 ARG QB 1 104 ASN H 3.380 . 3.380 2.990 2.802 3.181 . 0 0 "[ . 1 . 2]" 1
702 1 101 ILE MG 1 104 ASN H 4.540 . 4.540 4.334 4.197 4.542 0.002 19 0 "[ . 1 . 2]" 1
703 1 26 VAL H 1 105 LEU MD2 5.000 . 5.000 4.821 4.470 5.012 0.012 5 0 "[ . 1 . 2]" 1
704 1 26 VAL H 1 45 THR MG 4.970 . 4.970 4.213 3.042 4.561 . 0 0 "[ . 1 . 2]" 1
705 1 25 LEU HG 1 26 VAL H 5.000 . 5.000 4.979 4.647 5.060 0.060 16 0 "[ . 1 . 2]" 1
706 1 26 VAL H 1 26 VAL HB 4.170 . 4.170 3.673 3.573 3.762 . 0 0 "[ . 1 . 2]" 1
707 1 26 VAL H 1 45 THR HB 4.920 . 4.920 4.240 3.738 4.930 0.010 8 0 "[ . 1 . 2]" 1
708 1 26 VAL H 1 47 THR HA 5.000 . 5.000 3.281 2.894 3.826 . 0 0 "[ . 1 . 2]" 1
709 1 42 GLN H 1 42 GLN HG2 4.130 . 4.130 3.468 2.354 4.011 . 0 0 "[ . 1 . 2]" 1
710 1 42 GLN H 1 42 GLN HG3 4.130 . 4.130 2.731 2.264 3.731 . 0 0 "[ . 1 . 2]" 1
711 1 42 GLN H 1 42 GLN HB2 4.020 . 4.020 2.531 2.381 2.693 . 0 0 "[ . 1 . 2]" 1
712 1 52 LEU H 1 55 LEU HB2 5.000 . 5.000 4.972 4.479 5.063 0.063 13 0 "[ . 1 . 2]" 1
713 1 52 LEU H 1 52 LEU HG 3.250 . 3.250 2.719 2.191 3.515 0.265 8 0 "[ . 1 . 2]" 1
714 1 103 ARG QG 1 104 ASN H 4.330 . 4.330 3.968 3.665 4.228 . 0 0 "[ . 1 . 2]" 1
715 1 104 ASN H 1 105 LEU HB3 4.740 . 4.740 4.445 4.097 4.634 . 0 0 "[ . 1 . 2]" 1
716 1 51 VAL HB 1 52 LEU H 3.960 . 3.960 2.708 2.219 4.069 0.109 17 0 "[ . 1 . 2]" 1
717 1 101 ILE HA 1 104 ASN H 4.930 . 4.930 3.580 3.329 3.856 . 0 0 "[ . 1 . 2]" 1
718 1 34 LYS HA 1 38 SER H 4.640 . 4.640 4.258 3.927 4.547 . 0 0 "[ . 1 . 2]" 1
719 1 35 LEU HA 1 38 SER H 4.850 . 4.850 3.525 3.346 3.643 . 0 0 "[ . 1 . 2]" 1
720 1 36 LEU HA 1 38 SER H 4.710 . 4.710 4.229 4.035 4.376 . 0 0 "[ . 1 . 2]" 1
721 1 98 TYR H 1 98 TYR QB 3.150 . 3.150 2.603 2.332 2.699 . 0 0 "[ . 1 . 2]" 1
722 1 95 ARG HA 1 98 TYR H 3.830 . 3.830 3.341 2.980 3.810 . 0 0 "[ . 1 . 2]" 1
723 1 63 ARG H 1 65 TYR H 4.860 . 4.860 4.595 4.257 4.733 . 0 0 "[ . 1 . 2]" 1
724 1 59 ILE HA 1 63 ARG H 4.680 . 4.680 4.406 4.220 4.572 . 0 0 "[ . 1 . 2]" 1
725 1 60 MET QB 1 63 ARG H 4.680 . 4.680 4.721 4.597 4.785 0.105 10 0 "[ . 1 . 2]" 1
726 1 62 LYS HG3 1 63 ARG H 5.000 . 5.000 5.106 5.040 5.157 0.157 8 0 "[ . 1 . 2]" 1
727 1 59 ILE MG 1 63 ARG H 4.780 . 4.780 4.618 4.405 4.786 0.006 5 0 "[ . 1 . 2]" 1
728 1 98 TYR H 1 98 TYR QE 4.270 . 4.270 4.302 4.261 4.347 0.077 17 0 "[ . 1 . 2]" 1
729 1 37 LYS H 1 41 ALA H 5.000 . 5.000 4.486 4.245 4.680 . 0 0 "[ . 1 . 2]" 1
730 1 102 TYR H 1 104 ASN H 4.680 . 4.680 4.001 3.865 4.139 . 0 0 "[ . 1 . 2]" 1
731 1 48 MET ME 1 98 TYR H 4.450 . 4.450 4.369 4.188 4.475 0.025 5 0 "[ . 1 . 2]" 1
732 1 48 MET HA 1 52 LEU H 4.760 . 4.760 4.353 3.884 4.807 0.047 8 0 "[ . 1 . 2]" 1
733 1 37 LYS H 1 37 LYS QB 3.270 . 3.270 2.387 2.153 2.479 . 0 0 "[ . 1 . 2]" 1
734 1 33 LEU HA 1 37 LYS H 4.210 . 4.210 3.738 3.488 3.956 . 0 0 "[ . 1 . 2]" 1
735 1 34 LYS HA 1 37 LYS H 4.670 . 4.670 3.784 3.457 4.250 . 0 0 "[ . 1 . 2]" 1
736 1 37 LYS H 1 38 SER QB 4.570 . 4.570 4.583 4.425 4.653 0.083 18 0 "[ . 1 . 2]" 1
737 1 46 TYR H 1 46 TYR HB3 4.050 . 4.050 3.576 3.278 3.884 . 0 0 "[ . 1 . 2]" 1
738 1 98 TYR H 1 99 THR MG 5.000 . 5.000 4.636 4.489 4.814 . 0 0 "[ . 1 . 2]" 1
739 1 98 TYR H 1 100 MET ME 5.000 . 5.000 4.916 4.673 5.067 0.067 18 0 "[ . 1 . 2]" 1
740 1 97 ILE MD 1 98 TYR H 4.510 . 4.510 4.447 4.356 4.497 . 0 0 "[ . 1 . 2]" 1
741 1 98 TYR H 1 101 ILE MD 4.520 . 4.520 4.418 4.301 4.530 0.010 7 0 "[ . 1 . 2]" 1
742 1 97 ILE MG 1 98 TYR H 3.840 . 3.840 3.472 3.226 3.610 . 0 0 "[ . 1 . 2]" 1
743 1 38 SER H 1 41 ALA MB 4.930 . 4.930 4.691 4.532 4.935 0.005 17 0 "[ . 1 . 2]" 1
744 1 35 LEU MD1 1 38 SER H 5.000 . 5.000 4.984 4.831 5.030 0.030 7 0 "[ . 1 . 2]" 1
745 1 51 VAL MG1 1 52 LEU H 4.000 . 4.000 3.260 2.195 3.598 . 0 0 "[ . 1 . 2]" 1
746 1 51 VAL MG2 1 52 LEU H 4.000 . 4.000 3.537 3.333 3.820 . 0 0 "[ . 1 . 2]" 1
747 1 52 LEU H 1 52 LEU MD1 3.850 . 3.850 3.122 1.866 3.914 0.064 17 0 "[ . 1 . 2]" 1
748 1 52 LEU H 1 52 LEU MD2 3.850 . 3.850 3.150 2.524 3.867 0.017 7 0 "[ . 1 . 2]" 1
749 1 37 LYS H 1 41 ALA MB 4.110 . 4.110 3.501 3.348 3.683 . 0 0 "[ . 1 . 2]" 1
750 1 45 THR MG 1 46 TYR H 3.360 . 3.360 3.302 2.374 3.402 0.042 12 0 "[ . 1 . 2]" 1
751 1 26 VAL H 1 46 TYR H 3.950 . 3.950 2.830 2.414 3.105 . 0 0 "[ . 1 . 2]" 1
752 1 35 LEU H 1 37 LYS H 4.470 . 4.470 4.153 3.961 4.418 . 0 0 "[ . 1 . 2]" 1
753 1 82 ASP H 1 84 PHE H 4.580 . 4.580 4.168 3.994 4.339 . 0 0 "[ . 1 . 2]" 1
754 1 82 ASP HA 1 84 PHE H 5.000 . 5.000 4.420 4.165 4.595 . 0 0 "[ . 1 . 2]" 1
755 1 37 LYS H 1 38 SER HA 5.000 . 5.000 5.041 5.005 5.073 0.073 17 0 "[ . 1 . 2]" 1
756 1 84 PHE H 1 84 PHE HB2 3.630 . 3.630 2.253 2.149 2.401 . 0 0 "[ . 1 . 2]" 1
757 1 46 TYR H 1 46 TYR HB2 4.050 . 4.050 3.372 2.587 3.997 . 0 0 "[ . 1 . 2]" 1
758 1 83 LEU HB2 1 84 PHE H 3.970 . 3.970 3.453 2.468 3.757 . 0 0 "[ . 1 . 2]" 1
759 1 84 PHE H 1 84 PHE HB3 3.690 . 3.690 2.995 2.567 3.560 . 0 0 "[ . 1 . 2]" 1
760 1 77 ASN HA 1 78 ASP H 3.420 . 3.420 3.244 3.029 3.419 . 0 0 "[ . 1 . 2]" 1
761 1 41 ALA HA 1 43 LYS H 4.000 . 4.000 3.607 3.237 4.046 0.046 11 0 "[ . 1 . 2]" 1
762 1 43 LYS H 1 43 LYS QE 5.000 . 5.000 4.599 3.507 4.965 . 0 0 "[ . 1 . 2]" 1
763 1 78 ASP H 1 78 ASP QB 3.390 . 3.390 2.527 2.374 2.727 . 0 0 "[ . 1 . 2]" 1
764 1 77 ASN HB2 1 78 ASP H 4.640 . 4.640 3.985 3.545 4.363 . 0 0 "[ . 1 . 2]" 1
765 1 43 LYS H 1 43 LYS HB3 3.960 . 3.960 3.618 3.473 3.829 . 0 0 "[ . 1 . 2]" 1
766 1 43 LYS H 1 43 LYS HB2 3.960 . 3.960 2.438 2.215 2.745 . 0 0 "[ . 1 . 2]" 1
767 1 41 ALA MB 1 43 LYS H 3.770 . 3.770 3.061 2.704 3.529 . 0 0 "[ . 1 . 2]" 1
768 1 49 LYS H 1 49 LYS HG3 4.650 . 4.650 2.770 1.936 4.391 . 0 0 "[ . 1 . 2]" 1
769 1 47 THR MG 1 49 LYS H 4.540 . 4.540 4.340 4.058 4.552 0.012 19 0 "[ . 1 . 2]" 1
770 1 47 THR HB 1 49 LYS H 3.350 . 3.350 2.840 2.545 3.123 . 0 0 "[ . 1 . 2]" 1
771 1 25 LEU HA 1 46 TYR H 4.940 . 4.940 3.765 3.509 4.210 . 0 0 "[ . 1 . 2]" 1
772 1 47 THR HA 1 49 LYS H 4.580 . 4.580 4.414 4.172 4.632 0.052 19 0 "[ . 1 . 2]" 1
773 1 34 LYS H 1 34 LYS HB2 3.670 . 3.670 3.443 2.511 3.673 0.003 10 0 "[ . 1 . 2]" 1
774 1 34 LYS H 1 34 LYS HG2 4.720 . 4.720 2.997 2.327 4.330 . 0 0 "[ . 1 . 2]" 1
775 1 34 LYS H 1 34 LYS HG3 4.720 . 4.720 3.692 2.334 4.555 . 0 0 "[ . 1 . 2]" 1
776 1 105 LEU H 1 105 LEU MD1 4.420 . 4.420 3.588 3.271 3.881 . 0 0 "[ . 1 . 2]" 1
777 1 105 LEU H 1 105 LEU MD2 3.520 . 3.520 3.447 3.312 3.558 0.038 9 0 "[ . 1 . 2]" 1
778 1 62 LYS H 1 62 LYS HG3 3.910 . 3.910 3.727 3.563 3.802 . 0 0 "[ . 1 . 2]" 1
779 1 62 LYS H 1 62 LYS HG2 3.400 . 3.400 2.428 2.231 2.581 . 0 0 "[ . 1 . 2]" 1
780 1 105 LEU H 1 105 LEU HB3 3.380 . 3.380 3.025 2.802 3.190 . 0 0 "[ . 1 . 2]" 1
781 1 105 LEU H 1 105 LEU HG 3.330 . 3.330 2.255 2.077 2.563 . 0 0 "[ . 1 . 2]" 1
782 1 42 GLN HG2 1 43 LYS H 5.000 . 5.000 4.886 4.072 5.098 0.098 16 0 "[ . 1 . 2]" 1
783 1 77 ASN HB3 1 78 ASP H 4.640 . 4.640 3.835 3.030 4.402 . 0 0 "[ . 1 . 2]" 1
784 1 102 TYR HA 1 105 LEU H 3.860 . 3.860 3.338 3.127 3.510 . 0 0 "[ . 1 . 2]" 1
785 1 103 ARG HA 1 105 LEU H 4.560 . 4.560 4.036 3.895 4.261 . 0 0 "[ . 1 . 2]" 1
786 1 76 SER QB 1 78 ASP H 4.910 . 4.910 4.436 4.064 4.529 . 0 0 "[ . 1 . 2]" 1
787 1 61 THR HB 1 62 LYS H 4.010 . 4.010 4.042 4.023 4.061 0.051 2 0 "[ . 1 . 2]" 1
788 1 76 SER HA 1 78 ASP H 4.150 . 4.150 3.617 3.040 3.892 . 0 0 "[ . 1 . 2]" 1
789 1 78 ASP H 1 79 LEU HA 5.000 . 5.000 4.897 4.565 5.049 0.049 17 0 "[ . 1 . 2]" 1
790 1 104 ASN HD21 1 105 LEU H 5.000 . 5.000 5.050 4.906 5.093 0.093 12 0 "[ . 1 . 2]" 1
791 1 31 LEU HA 1 34 LYS H 4.020 . 4.020 3.595 3.214 3.846 . 0 0 "[ . 1 . 2]" 1
792 1 30 PRO HA 1 34 LYS H 4.720 . 4.720 3.838 3.586 4.107 . 0 0 "[ . 1 . 2]" 1
793 1 62 LYS H 1 63 ARG HA 4.400 . 4.400 4.297 4.161 4.412 0.012 8 0 "[ . 1 . 2]" 1
794 1 62 LYS H 1 62 LYS QE 5.000 . 5.000 4.425 4.070 4.883 . 0 0 "[ . 1 . 2]" 1
795 1 34 LYS H 1 34 LYS QD 4.610 . 4.610 4.048 3.766 4.398 . 0 0 "[ . 1 . 2]" 1
796 1 78 ASP QB 1 80 LEU H 4.180 . 4.180 2.849 2.526 3.136 . 0 0 "[ . 1 . 2]" 1
797 1 80 LEU H 1 80 LEU HG 4.330 . 4.330 4.154 2.893 4.387 0.057 5 0 "[ . 1 . 2]" 1
798 1 80 LEU H 1 80 LEU MD2 4.420 . 4.420 4.168 3.407 4.373 . 0 0 "[ . 1 . 2]" 1
799 1 80 LEU H 1 80 LEU MD1 4.420 . 4.420 4.018 2.186 4.211 . 0 0 "[ . 1 . 2]" 1
800 1 69 GLN HA 1 70 GLN H 2.760 . 2.760 2.153 2.020 2.291 . 0 0 "[ . 1 . 2]" 1
801 1 70 GLN H 1 70 GLN HG3 3.990 . 3.990 2.866 2.058 3.853 . 0 0 "[ . 1 . 2]" 1
802 1 79 LEU HA 1 83 LEU H 4.310 . 4.310 4.009 3.794 4.299 . 0 0 "[ . 1 . 2]" 1
803 1 57 GLN H 1 57 GLN QB 3.230 . 3.230 2.619 2.573 2.668 . 0 0 "[ . 1 . 2]" 1
804 1 57 GLN H 1 57 GLN HG3 3.740 . 3.740 3.603 3.525 3.675 . 0 0 "[ . 1 . 2]" 1
805 1 57 GLN H 1 57 GLN HG2 3.740 . 3.740 2.073 1.991 2.169 . 0 0 "[ . 1 . 2]" 1
806 1 54 TYR HA 1 57 GLN H 3.750 . 3.750 3.203 3.019 3.385 . 0 0 "[ . 1 . 2]" 1
807 1 83 LEU H 1 83 LEU HB3 3.830 . 3.830 2.661 2.351 3.631 . 0 0 "[ . 1 . 2]" 1
808 1 83 LEU H 1 83 LEU HG 4.180 . 4.180 4.001 2.337 4.313 0.133 19 0 "[ . 1 . 2]" 1
809 1 79 LEU MD2 1 83 LEU H 3.910 . 3.910 3.762 3.272 4.016 0.106 14 0 "[ . 1 . 2]" 1
810 1 79 LEU MD1 1 83 LEU H 3.910 . 3.910 3.001 2.464 3.934 0.024 20 0 "[ . 1 . 2]" 1
811 1 83 LEU H 1 83 LEU MD2 4.020 . 4.020 3.859 3.384 4.019 . 0 0 "[ . 1 . 2]" 1
812 1 59 ILE H 1 61 THR MG 4.160 . 4.160 4.203 4.158 4.243 0.083 10 0 "[ . 1 . 2]" 1
813 1 83 LEU H 1 83 LEU HB2 3.370 . 3.370 2.141 2.008 2.515 . 0 0 "[ . 1 . 2]" 1
814 1 35 LEU MD1 1 59 ILE H 5.000 . 5.000 4.875 4.423 5.027 0.027 5 0 "[ . 1 . 2]" 1
815 1 59 ILE H 1 59 ILE QG 3.600 . 3.600 2.015 1.918 2.149 . 0 0 "[ . 1 . 2]" 1
816 1 70 GLN H 1 70 GLN HG2 3.990 . 3.990 3.301 2.149 3.921 . 0 0 "[ . 1 . 2]" 1
817 1 24 THR H 1 24 THR MG 4.120 . 4.120 3.749 3.665 3.960 . 0 0 "[ . 1 . 2]" 1
818 1 31 LEU H 1 31 LEU MD1 4.030 . 4.030 3.563 3.440 3.682 . 0 0 "[ . 1 . 2]" 1
819 1 31 LEU H 1 31 LEU MD2 4.030 . 4.030 3.144 2.955 3.348 . 0 0 "[ . 1 . 2]" 1
820 1 31 LEU H 1 31 LEU HG 3.950 . 3.950 2.130 2.025 2.339 . 0 0 "[ . 1 . 2]" 1
821 1 31 LEU H 1 31 LEU HB3 3.920 . 3.920 3.577 3.542 3.625 . 0 0 "[ . 1 . 2]" 1
822 1 30 PRO HB2 1 31 LEU H 4.290 . 4.290 3.152 2.675 3.302 . 0 0 "[ . 1 . 2]" 1
823 1 30 PRO HG2 1 31 LEU H 4.430 . 4.430 2.348 1.987 2.461 . 0 0 "[ . 1 . 2]" 1
824 1 30 PRO HB3 1 31 LEU H 4.290 . 4.290 4.114 3.849 4.206 . 0 0 "[ . 1 . 2]" 1
825 1 31 LEU H 1 31 LEU HB2 3.920 . 3.920 2.534 2.478 2.629 . 0 0 "[ . 1 . 2]" 1
826 1 59 ILE H 2 6 PHE QE 5.000 . 5.000 4.258 4.051 4.526 . 0 0 "[ . 1 . 2]" 1
827 1 55 LEU HA 1 59 ILE H 5.000 . 5.000 4.554 4.315 4.794 . 0 0 "[ . 1 . 2]" 1
828 1 59 ILE H 1 60 MET HA 5.000 . 5.000 5.053 5.034 5.078 0.078 19 0 "[ . 1 . 2]" 1
829 1 83 LEU H 1 84 PHE HB2 5.000 . 5.000 4.837 4.547 5.111 0.111 20 0 "[ . 1 . 2]" 1
830 1 101 ILE HG13 1 102 TYR H 4.440 . 4.440 4.084 4.013 4.175 . 0 0 "[ . 1 . 2]" 1
831 1 102 TYR H 1 102 TYR HB2 3.430 . 3.430 3.022 2.897 3.163 . 0 0 "[ . 1 . 2]" 1
832 1 99 THR HA 1 102 TYR H 4.060 . 4.060 3.115 2.969 3.252 . 0 0 "[ . 1 . 2]" 1
833 1 101 ILE MG 1 102 TYR H 3.510 . 3.510 3.400 3.234 3.514 0.004 11 0 "[ . 1 . 2]" 1
834 1 39 VAL MG2 1 57 GLN H 5.000 . 5.000 4.011 3.825 4.448 . 0 0 "[ . 1 . 2]" 1
835 1 39 VAL MG1 1 57 GLN H 5.000 . 5.000 4.369 3.930 4.685 . 0 0 "[ . 1 . 2]" 1
836 1 96 LYS H 1 96 LYS HG3 4.440 . 4.440 3.984 3.651 4.323 . 0 0 "[ . 1 . 2]" 1
837 1 96 LYS H 1 96 LYS HG2 4.440 . 4.440 3.527 2.240 4.427 . 0 0 "[ . 1 . 2]" 1
838 1 96 LYS H 1 96 LYS QB 3.250 . 3.250 2.323 2.065 2.487 . 0 0 "[ . 1 . 2]" 1
839 1 39 VAL HB 1 57 GLN H 5.000 . 5.000 4.985 4.846 5.081 0.081 16 0 "[ . 1 . 2]" 1
840 1 54 TYR HB3 1 57 GLN H 5.000 . 5.000 5.010 4.909 5.057 0.057 5 0 "[ . 1 . 2]" 1
841 1 96 LYS H 1 96 LYS QE 4.950 . 4.950 4.182 2.247 4.949 . 0 0 "[ . 1 . 2]" 1
842 1 32 LEU H 1 32 LEU MD1 3.140 . 3.140 2.319 2.030 2.614 . 0 0 "[ . 1 . 2]" 1
843 1 54 TYR H 1 54 TYR QD 3.570 . 3.570 2.677 2.090 3.149 . 0 0 "[ . 1 . 2]" 1
844 1 54 TYR H 1 54 TYR QE 4.560 . 4.560 4.500 4.283 4.603 0.043 4 0 "[ . 1 . 2]" 1
845 1 33 LEU H 1 33 LEU HB2 4.000 . 4.000 2.390 2.212 2.489 . 0 0 "[ . 1 . 2]" 1
846 1 53 PHE HB2 1 54 TYR H 4.440 . 4.440 2.921 2.192 3.825 . 0 0 "[ . 1 . 2]" 1
847 1 53 PHE HB3 1 54 TYR H 4.440 . 4.440 2.957 2.222 3.525 . 0 0 "[ . 1 . 2]" 1
848 1 54 TYR H 1 54 TYR HB2 3.960 . 3.960 2.417 2.339 2.489 . 0 0 "[ . 1 . 2]" 1
849 1 54 TYR H 1 54 TYR HB3 3.860 . 3.860 3.613 3.586 3.643 . 0 0 "[ . 1 . 2]" 1
850 1 51 VAL HA 1 54 TYR H 4.340 . 4.340 3.423 3.174 3.617 . 0 0 "[ . 1 . 2]" 1
851 1 51 VAL H 1 51 VAL HB 3.690 . 3.690 2.681 2.548 2.816 . 0 0 "[ . 1 . 2]" 1
852 1 97 ILE HA 1 101 ILE H 4.710 . 4.710 4.389 4.285 4.545 . 0 0 "[ . 1 . 2]" 1
853 1 98 TYR HA 1 101 ILE H 3.900 . 3.900 3.759 3.642 3.923 0.023 19 0 "[ . 1 . 2]" 1
854 1 101 ILE H 1 103 ARG QB 5.000 . 5.000 4.607 4.266 4.812 . 0 0 "[ . 1 . 2]" 1
855 1 101 ILE H 1 101 ILE HG13 3.780 . 3.780 2.241 2.151 2.308 . 0 0 "[ . 1 . 2]" 1
856 1 101 ILE H 1 101 ILE HB 3.610 . 3.610 2.461 2.411 2.530 . 0 0 "[ . 1 . 2]" 1
857 1 101 ILE H 1 101 ILE MD 3.740 . 3.740 3.534 3.466 3.604 . 0 0 "[ . 1 . 2]" 1
858 1 51 VAL H 1 51 VAL MG2 3.900 . 3.900 2.275 1.786 3.826 . 0 0 "[ . 1 . 2]" 1
859 1 95 ARG QB 1 96 LYS H 3.280 . 3.280 2.877 2.521 3.350 0.070 18 0 "[ . 1 . 2]" 1
860 1 96 LYS H 1 96 LYS QD 3.560 . 3.560 2.869 2.163 3.731 0.171 1 0 "[ . 1 . 2]" 1
861 1 96 LYS H 1 97 ILE MD 4.470 . 4.470 4.463 4.340 4.529 0.059 3 0 "[ . 1 . 2]" 1
862 1 101 ILE H 1 103 ARG H 3.940 . 3.940 3.789 3.693 3.882 . 0 0 "[ . 1 . 2]" 1
863 1 101 ILE H 1 102 TYR QD 4.930 . 4.930 4.978 4.936 5.014 0.084 18 0 "[ . 1 . 2]" 1
864 1 30 PRO HG2 1 32 LEU H 5.000 . 5.000 4.918 4.497 5.047 0.047 10 0 "[ . 1 . 2]" 1
865 1 31 LEU HG 1 32 LEU H 4.420 . 4.420 4.192 3.944 4.446 0.026 7 0 "[ . 1 . 2]" 1
866 1 32 LEU H 1 32 LEU HG 4.230 . 4.230 3.975 3.698 4.234 0.004 17 0 "[ . 1 . 2]" 1
867 1 32 LEU H 1 35 LEU MD2 4.980 . 4.980 4.453 4.167 4.653 . 0 0 "[ . 1 . 2]" 1
868 1 97 ILE H 1 97 ILE HG13 3.690 . 3.690 3.623 3.541 3.695 0.005 14 0 "[ . 1 . 2]" 1
869 1 97 ILE H 1 97 ILE MG 3.940 . 3.940 3.791 3.765 3.812 . 0 0 "[ . 1 . 2]" 1
870 1 97 ILE H 1 97 ILE HG12 3.550 . 3.550 2.078 1.977 2.174 . 0 0 "[ . 1 . 2]" 1
871 1 12 VAL H 1 12 VAL MG1 4.470 . 4.470 2.610 2.255 3.244 . 0 0 "[ . 1 . 2]" 1
872 1 12 VAL H 1 12 VAL MG2 4.470 . 4.470 2.033 1.846 2.287 . 0 0 "[ . 1 . 2]" 1
873 1 48 MET HA 1 51 VAL H 4.190 . 4.190 3.409 2.829 4.008 . 0 0 "[ . 1 . 2]" 1
874 1 32 LEU MD1 1 33 LEU H 4.260 . 4.260 4.063 3.719 4.280 0.020 17 0 "[ . 1 . 2]" 1
875 1 33 LEU H 1 33 LEU MD2 4.380 . 4.380 3.787 3.243 4.279 . 0 0 "[ . 1 . 2]" 1
876 1 33 LEU H 1 33 LEU HB3 4.000 . 4.000 3.090 2.524 3.616 . 0 0 "[ . 1 . 2]" 1
877 1 33 LEU H 1 36 LEU HG 5.000 . 5.000 4.654 4.209 5.037 0.037 17 0 "[ . 1 . 2]" 1
878 1 47 THR MG 1 50 GLU H 4.890 . 4.890 4.392 3.890 4.857 . 0 0 "[ . 1 . 2]" 1
879 1 31 LEU HA 1 33 LEU H 5.000 . 5.000 4.536 4.381 4.735 . 0 0 "[ . 1 . 2]" 1
880 1 47 THR HB 1 50 GLU H 4.310 . 4.310 3.774 3.521 4.095 . 0 0 "[ . 1 . 2]" 1
881 1 49 LYS HG2 1 50 GLU H 4.950 . 4.950 4.662 3.811 4.994 0.044 9 0 "[ . 1 . 2]" 1
882 1 49 LYS HG3 1 50 GLU H 4.950 . 4.950 4.374 3.828 4.957 0.007 12 0 "[ . 1 . 2]" 1
883 1 36 LEU H 1 36 LEU HG 4.530 . 4.530 2.599 2.153 3.858 . 0 0 "[ . 1 . 2]" 1
884 1 36 LEU H 1 37 LYS QB 5.000 . 5.000 4.829 4.342 5.007 0.007 19 0 "[ . 1 . 2]" 1
885 1 99 THR H 1 100 MET H 3.890 . 3.890 2.603 2.433 2.747 . 0 0 "[ . 1 . 2]" 1
886 1 91 VAL HA 1 93 GLU H 4.380 . 4.380 3.696 3.294 4.007 . 0 0 "[ . 1 . 2]" 1
887 1 93 GLU H 1 93 GLU HB2 4.060 . 4.060 2.532 2.229 3.693 . 0 0 "[ . 1 . 2]" 1
888 1 93 GLU H 1 93 GLU HG2 3.990 . 3.990 2.582 2.023 3.001 . 0 0 "[ . 1 . 2]" 1
889 1 93 GLU H 1 93 GLU HB3 4.060 . 4.060 3.519 3.038 3.648 . 0 0 "[ . 1 . 2]" 1
890 1 100 MET H 1 101 ILE HG13 4.920 . 4.920 4.098 3.969 4.200 . 0 0 "[ . 1 . 2]" 1
891 1 100 MET H 1 101 ILE HB 5.000 . 5.000 4.726 4.601 4.842 . 0 0 "[ . 1 . 2]" 1
892 1 97 ILE HA 1 100 MET H 3.850 . 3.850 3.580 3.400 3.715 . 0 0 "[ . 1 . 2]" 1
893 1 96 LYS HA 1 100 MET H 4.510 . 4.510 3.798 3.623 4.143 . 0 0 "[ . 1 . 2]" 1
894 1 35 LEU MD1 1 36 LEU H 3.820 . 3.820 2.604 2.437 2.936 . 0 0 "[ . 1 . 2]" 1
895 1 36 LEU H 1 36 LEU MD2 4.270 . 4.270 3.181 2.318 3.520 . 0 0 "[ . 1 . 2]" 1
896 1 36 LEU H 1 36 LEU MD1 4.270 . 4.270 3.658 3.439 4.068 . 0 0 "[ . 1 . 2]" 1
897 1 35 LEU HG 1 36 LEU H 3.140 . 3.140 2.420 2.151 2.637 . 0 0 "[ . 1 . 2]" 1
898 1 93 GLU H 1 97 ILE MD 4.260 . 4.260 3.596 3.267 3.827 . 0 0 "[ . 1 . 2]" 1
899 1 94 HIS H 1 97 ILE MD 4.970 . 4.970 5.015 4.979 5.087 0.117 14 0 "[ . 1 . 2]" 1
900 1 54 TYR QD 1 55 LEU H 4.510 . 4.510 4.377 4.221 4.504 . 0 0 "[ . 1 . 2]" 1
901 1 55 LEU H 2 10 TRP HZ2 5.000 . 5.000 4.925 4.699 5.038 0.038 13 0 "[ . 1 . 2]" 1
902 1 51 VAL HA 1 55 LEU H 4.450 . 4.450 3.048 2.871 3.253 . 0 0 "[ . 1 . 2]" 1
903 1 55 LEU H 1 55 LEU HB2 3.490 . 3.490 2.272 2.167 2.317 . 0 0 "[ . 1 . 2]" 1
904 1 35 LEU MD1 1 55 LEU H 4.510 . 4.510 3.931 3.760 4.163 . 0 0 "[ . 1 . 2]" 1
905 1 35 LEU MD2 1 36 LEU H 4.940 . 4.940 4.062 3.859 4.219 . 0 0 "[ . 1 . 2]" 1
906 1 51 VAL HB 1 55 LEU H 5.000 . 5.000 5.048 5.001 5.185 0.185 17 0 "[ . 1 . 2]" 1
907 1 54 TYR HB2 1 55 LEU H 4.610 . 4.610 2.837 2.574 3.085 . 0 0 "[ . 1 . 2]" 1
908 1 55 LEU H 1 57 GLN H 5.000 . 5.000 4.000 3.925 4.123 . 0 0 "[ . 1 . 2]" 1
909 1 100 MET H 1 101 ILE MD 5.000 . 5.000 4.961 4.844 5.030 0.030 6 0 "[ . 1 . 2]" 1
910 1 97 ILE MG 1 100 MET H 5.000 . 5.000 4.783 4.593 4.902 . 0 0 "[ . 1 . 2]" 1
911 1 93 GLU H 1 97 ILE HG12 5.000 . 5.000 4.227 3.872 4.572 . 0 0 "[ . 1 . 2]" 1
912 1 100 MET H 1 102 TYR QD 5.000 . 5.000 4.841 4.598 4.978 . 0 0 "[ . 1 . 2]" 1
913 1 91 VAL H 1 93 GLU H 4.780 . 4.780 4.373 4.093 4.663 . 0 0 "[ . 1 . 2]" 1
914 1 35 LEU H 1 35 LEU MD1 4.310 . 4.310 3.753 3.538 4.005 . 0 0 "[ . 1 . 2]" 1
915 1 35 LEU H 1 35 LEU MD2 3.970 . 3.970 3.452 3.233 3.571 . 0 0 "[ . 1 . 2]" 1
916 1 35 LEU H 1 35 LEU HG 3.080 . 3.080 2.453 2.079 2.782 . 0 0 "[ . 1 . 2]" 1
917 1 35 LEU H 1 35 LEU QB 3.290 . 3.290 2.630 2.519 2.798 . 0 0 "[ . 1 . 2]" 1
918 1 34 LYS QD 1 35 LEU H 4.910 . 4.910 4.170 2.555 4.552 . 0 0 "[ . 1 . 2]" 1
919 1 32 LEU HA 1 35 LEU H 4.150 . 4.150 3.245 3.069 3.433 . 0 0 "[ . 1 . 2]" 1
920 1 31 LEU HA 1 35 LEU H 5.000 . 5.000 4.620 4.429 4.740 . 0 0 "[ . 1 . 2]" 1
921 1 33 LEU H 1 35 LEU H 4.730 . 4.730 4.193 4.079 4.404 . 0 0 "[ . 1 . 2]" 1
922 1 47 THR MG 1 48 MET H 3.860 . 3.860 3.567 3.316 3.887 0.027 11 0 "[ . 1 . 2]" 1
923 1 48 MET H 1 48 MET ME 4.460 . 4.460 4.447 4.211 4.598 0.138 10 0 "[ . 1 . 2]" 1
924 1 47 THR HB 1 48 MET H 3.880 . 3.880 2.231 1.880 2.537 . 0 0 "[ . 1 . 2]" 1
925 1 67 GLU H 1 69 GLN H 4.240 . 4.240 3.914 3.706 4.099 . 0 0 "[ . 1 . 2]" 1
926 1 68 LYS HB2 1 69 GLN H 3.750 . 3.750 2.947 2.513 3.786 0.036 12 0 "[ . 1 . 2]" 1
927 1 68 LYS HG2 1 69 GLN H 4.370 . 4.370 3.330 2.363 4.493 0.123 12 0 "[ . 1 . 2]" 1
928 1 68 LYS HG3 1 69 GLN H 4.370 . 4.370 4.292 3.373 4.511 0.141 6 0 "[ . 1 . 2]" 1
929 1 66 ASP HB2 1 69 GLN H 3.790 . 3.790 3.845 3.821 3.891 0.101 12 0 "[ . 1 . 2]" 1
930 1 69 GLN H 1 72 ILE MG 5.000 . 5.000 4.998 4.749 5.047 0.047 17 0 "[ . 1 . 2]" 1
931 1 105 LEU HG 1 106 VAL H 4.160 . 4.160 4.229 4.186 4.289 0.129 19 0 "[ . 1 . 2]" 1
932 1 105 LEU HB2 1 106 VAL H 3.790 . 3.790 2.452 2.089 2.733 . 0 0 "[ . 1 . 2]" 1
933 1 105 LEU MD1 1 106 VAL H 3.890 . 3.890 2.861 2.689 3.112 . 0 0 "[ . 1 . 2]" 1
934 1 105 LEU MD2 1 106 VAL H 4.640 . 4.640 4.569 4.223 4.717 0.077 10 0 "[ . 1 . 2]" 1
935 1 26 VAL MG2 1 27 ARG H 3.850 . 3.850 3.511 3.315 3.705 . 0 0 "[ . 1 . 2]" 1
936 1 27 ARG H 1 105 LEU MD2 4.460 . 4.460 3.847 3.030 4.266 . 0 0 "[ . 1 . 2]" 1
937 1 26 VAL MG1 1 27 ARG H 3.850 . 3.850 3.788 3.499 3.865 0.015 10 0 "[ . 1 . 2]" 1
938 1 27 ARG H 1 45 THR MG 5.000 . 5.000 4.753 4.148 5.107 0.107 18 0 "[ . 1 . 2]" 1
939 1 27 ARG H 1 27 ARG HG3 3.930 . 3.930 3.494 2.605 3.975 0.045 3 0 "[ . 1 . 2]" 1
940 1 27 ARG H 1 27 ARG HG2 3.930 . 3.930 3.006 2.202 4.039 0.109 19 0 "[ . 1 . 2]" 1
941 1 27 ARG H 1 27 ARG HB3 3.870 . 3.870 3.662 3.615 3.718 . 0 0 "[ . 1 . 2]" 1
942 1 27 ARG H 1 27 ARG HB2 3.870 . 3.870 2.515 2.380 2.875 . 0 0 "[ . 1 . 2]" 1
943 1 27 ARG H 1 105 LEU HG 5.000 . 5.000 4.997 4.673 5.138 0.138 17 0 "[ . 1 . 2]" 1
944 1 26 VAL HA 1 106 VAL H 5.000 . 5.000 5.007 4.736 5.107 0.107 11 0 "[ . 1 . 2]" 1
945 1 26 VAL HB 1 106 VAL H 5.000 . 5.000 4.611 4.180 5.032 0.032 16 0 "[ . 1 . 2]" 1
946 1 52 LEU H 1 53 PHE H 3.560 . 3.560 2.810 2.522 3.028 . 0 0 "[ . 1 . 2]" 1
947 1 8 THR HA 1 9 ASP H 3.480 . 3.480 2.677 2.095 3.492 0.012 6 0 "[ . 1 . 2]" 1
948 1 49 LYS HA 1 53 PHE H 4.910 . 4.910 4.440 4.122 4.861 . 0 0 "[ . 1 . 2]" 1
949 1 53 PHE H 1 53 PHE HB3 3.860 . 3.860 3.226 2.502 3.694 . 0 0 "[ . 1 . 2]" 1
950 1 53 PHE H 1 53 PHE HB2 3.860 . 3.860 2.577 2.477 2.669 . 0 0 "[ . 1 . 2]" 1
951 1 51 VAL MG1 1 53 PHE H 5.000 . 5.000 4.889 4.371 5.021 0.021 19 0 "[ . 1 . 2]" 1
952 1 51 VAL MG2 1 53 PHE H 5.000 . 5.000 5.069 5.012 5.124 0.124 8 0 "[ . 1 . 2]" 1
953 1 52 LEU MD2 1 53 PHE H 4.550 . 4.550 4.481 3.908 4.597 0.047 9 0 "[ . 1 . 2]" 1
954 1 52 LEU MD1 1 53 PHE H 4.550 . 4.550 4.274 3.100 4.555 0.005 18 0 "[ . 1 . 2]" 1
955 1 53 PHE H 1 54 TYR HB2 5.000 . 5.000 5.003 4.837 5.037 0.037 4 0 "[ . 1 . 2]" 1
956 1 20 SER QB 1 21 GLU H 3.580 . 3.580 3.279 2.140 3.687 0.107 13 0 "[ . 1 . 2]" 1
957 1 82 ASP H 1 82 ASP HB3 3.380 . 3.380 2.604 2.503 2.673 . 0 0 "[ . 1 . 2]" 1
958 1 82 ASP H 1 82 ASP HB2 3.380 . 3.380 2.490 2.331 2.634 . 0 0 "[ . 1 . 2]" 1
959 1 82 ASP H 1 83 LEU HB2 4.950 . 4.950 4.597 4.337 4.812 . 0 0 "[ . 1 . 2]" 1
960 1 79 LEU MD2 1 82 ASP H 4.950 . 4.950 4.525 4.002 5.039 0.089 20 0 "[ . 1 . 2]" 1
961 1 79 LEU MD1 1 82 ASP H 4.950 . 4.950 4.430 3.710 4.834 . 0 0 "[ . 1 . 2]" 1
962 1 69 GLN HA 1 72 ILE H 5.000 . 5.000 4.528 4.201 4.919 . 0 0 "[ . 1 . 2]" 1
963 1 70 GLN HA 1 72 ILE H 5.000 . 5.000 3.529 3.070 3.887 . 0 0 "[ . 1 . 2]" 1
964 1 66 ASP HB3 1 72 ILE H 4.970 . 4.970 3.730 3.451 4.118 . 0 0 "[ . 1 . 2]" 1
965 1 72 ILE H 1 72 ILE HB 3.560 . 3.560 2.553 2.432 2.670 . 0 0 "[ . 1 . 2]" 1
966 1 72 ILE H 1 72 ILE MD 3.870 . 3.870 3.712 3.584 3.825 . 0 0 "[ . 1 . 2]" 1
967 1 72 ILE H 1 72 ILE MG 4.000 . 4.000 3.808 3.732 3.869 . 0 0 "[ . 1 . 2]" 1
968 1 11 ALA H 1 11 ALA MB 3.650 . 3.650 2.354 2.231 2.661 . 0 0 "[ . 1 . 2]" 1
969 1 35 LEU MD1 1 58 TYR H 4.570 . 4.570 3.947 3.572 4.288 . 0 0 "[ . 1 . 2]" 1
970 1 66 ASP H 1 73 VAL MG2 5.000 . 5.000 4.076 3.457 4.669 . 0 0 "[ . 1 . 2]" 1
971 1 66 ASP H 1 72 ILE MG 4.030 . 4.030 3.495 3.228 3.741 . 0 0 "[ . 1 . 2]" 1
972 1 66 ASP H 1 73 VAL MG1 5.000 . 5.000 4.390 3.939 4.748 . 0 0 "[ . 1 . 2]" 1
973 1 39 VAL MG1 1 58 TYR H 4.640 . 4.640 2.685 2.351 3.825 . 0 0 "[ . 1 . 2]" 1
974 1 66 ASP H 1 66 ASP HB2 3.460 . 3.460 2.532 2.371 2.653 . 0 0 "[ . 1 . 2]" 1
975 1 66 ASP HB2 1 72 ILE H 5.000 . 5.000 4.526 4.144 4.883 . 0 0 "[ . 1 . 2]" 1
976 1 72 ILE H 1 73 VAL H 4.400 . 4.400 4.249 4.091 4.418 0.018 19 0 "[ . 1 . 2]" 1
977 1 70 GLN H 1 72 ILE H 4.530 . 4.530 4.076 3.768 4.210 . 0 0 "[ . 1 . 2]" 1
978 1 66 ASP H 1 72 ILE H 5.000 . 5.000 4.045 3.741 4.902 . 0 0 "[ . 1 . 2]" 1
979 1 39 VAL MG2 1 58 TYR H 4.640 . 4.640 3.322 3.057 4.315 . 0 0 "[ . 1 . 2]" 1
980 1 66 ASP H 1 72 ILE HB 5.000 . 5.000 3.735 3.359 4.172 . 0 0 "[ . 1 . 2]" 1
981 1 66 ASP H 1 66 ASP HB3 3.370 . 3.370 2.550 2.495 2.634 . 0 0 "[ . 1 . 2]" 1
982 1 57 GLN QB 1 58 TYR H 3.590 . 3.590 2.317 2.125 2.452 . 0 0 "[ . 1 . 2]" 1
983 1 39 VAL HB 1 58 TYR H 5.000 . 5.000 4.251 3.810 4.543 . 0 0 "[ . 1 . 2]" 1
984 1 55 LEU HA 1 58 TYR H 4.200 . 4.200 3.493 3.273 3.665 . 0 0 "[ . 1 . 2]" 1
985 1 66 ASP H 1 73 VAL HA 4.530 . 4.530 2.854 2.360 3.144 . 0 0 "[ . 1 . 2]" 1
986 1 17 ILE H 1 18 PRO HD3 5.000 . 5.000 4.724 4.311 4.972 . 0 0 "[ . 1 . 2]" 1
987 1 17 ILE H 1 18 PRO HD2 4.850 . 4.850 4.814 4.722 4.873 0.023 19 0 "[ . 1 . 2]" 1
988 1 66 ASP HA 1 67 GLU H 3.260 . 3.260 2.161 2.051 2.333 . 0 0 "[ . 1 . 2]" 1
989 1 66 ASP HB2 1 67 GLU H 4.240 . 4.240 4.009 3.705 4.266 0.026 15 0 "[ . 1 . 2]" 1
990 1 16 GLN QG 1 17 ILE H 4.290 . 4.290 3.951 2.833 4.337 0.047 3 0 "[ . 1 . 2]" 1
991 1 17 ILE H 1 17 ILE HB 2.840 . 2.840 2.539 2.418 2.715 . 0 0 "[ . 1 . 2]" 1
992 1 67 GLU H 1 68 LYS QD 5.000 . 5.000 4.362 2.937 5.055 0.055 9 0 "[ . 1 . 2]" 1
993 1 67 GLU H 1 67 GLU HB2 3.660 . 3.660 3.509 2.545 3.673 0.013 9 0 "[ . 1 . 2]" 1
994 1 67 GLU H 1 67 GLU HB3 3.660 . 3.660 2.844 2.663 3.500 . 0 0 "[ . 1 . 2]" 1
995 1 67 GLU H 1 67 GLU QG 3.220 . 3.220 1.885 1.579 2.192 . 0 0 "[ . 1 . 2]" 1
996 1 17 ILE H 1 17 ILE MG 4.090 . 4.090 3.793 3.745 3.872 . 0 0 "[ . 1 . 2]" 1
997 1 17 ILE H 1 17 ILE MD 4.510 . 4.510 3.740 3.513 4.171 . 0 0 "[ . 1 . 2]" 1
998 1 17 ILE H 1 17 ILE HG13 3.900 . 3.900 2.361 1.903 2.886 . 0 0 "[ . 1 . 2]" 1
999 1 17 ILE H 1 17 ILE HG12 3.900 . 3.900 3.562 3.148 3.911 0.011 3 0 "[ . 1 . 2]" 1
1000 1 38 SER H 1 41 ALA H 5.000 . 5.000 4.588 4.307 4.873 . 0 0 "[ . 1 . 2]" 1
1001 1 41 ALA H 1 54 TYR QE 4.700 . 4.700 4.216 3.843 4.723 0.023 5 0 "[ . 1 . 2]" 1
1002 1 39 VAL HA 1 41 ALA H 5.000 . 5.000 5.049 4.946 5.168 0.168 16 0 "[ . 1 . 2]" 1
1003 1 37 LYS HA 1 41 ALA H 3.570 . 3.570 2.296 2.015 2.766 . 0 0 "[ . 1 . 2]" 1
1004 1 36 LEU HA 1 41 ALA H 5.000 . 5.000 4.374 4.077 4.704 . 0 0 "[ . 1 . 2]" 1
1005 1 37 LYS QB 1 41 ALA H 4.600 . 4.600 4.346 4.132 4.681 0.081 17 0 "[ . 1 . 2]" 1
1006 1 41 ALA H 1 41 ALA MB 3.100 . 3.100 2.285 2.198 2.411 . 0 0 "[ . 1 . 2]" 1
1007 1 72 ILE MG 1 73 VAL H 3.420 . 3.420 2.951 2.699 3.118 . 0 0 "[ . 1 . 2]" 1
1008 1 72 ILE HB 1 73 VAL H 4.500 . 4.500 4.341 4.207 4.446 . 0 0 "[ . 1 . 2]" 1
1009 1 74 TYR H 1 74 TYR HB3 3.680 . 3.680 3.650 3.521 3.710 0.030 20 0 "[ . 1 . 2]" 1
1010 1 74 TYR H 1 74 TYR HB2 3.680 . 3.680 2.470 2.279 2.536 . 0 0 "[ . 1 . 2]" 1
1011 1 72 ILE HA 1 73 VAL H 3.140 . 3.140 2.114 2.058 2.190 . 0 0 "[ . 1 . 2]" 1
1012 1 65 TYR HA 1 74 TYR H 3.810 . 3.810 2.249 1.811 2.806 . 0 0 "[ . 1 . 2]" 1
1013 1 73 VAL H 1 90 SER HA 4.240 . 4.240 3.134 2.776 3.633 . 0 0 "[ . 1 . 2]" 1
1014 1 74 TYR H 1 74 TYR QE 5.000 . 5.000 4.830 4.594 5.038 0.038 14 0 "[ . 1 . 2]" 1
1015 1 66 ASP H 1 74 TYR H 4.330 . 4.330 3.867 3.532 4.326 . 0 0 "[ . 1 . 2]" 1
1016 1 72 ILE MD 1 73 VAL H 3.580 . 3.580 3.549 3.418 3.602 0.022 12 0 "[ . 1 . 2]" 1
1017 1 25 LEU H 1 25 LEU MD1 3.890 . 3.890 3.691 2.728 3.923 0.033 10 0 "[ . 1 . 2]" 1
1018 1 24 THR MG 1 25 LEU H 2.970 . 2.970 2.855 2.367 3.035 0.065 18 0 "[ . 1 . 2]" 1
1019 1 25 LEU H 1 25 LEU HB3 3.730 . 3.730 3.586 3.369 3.656 . 0 0 "[ . 1 . 2]" 1
1020 1 25 LEU H 1 25 LEU HB2 3.730 . 3.730 2.420 2.353 2.483 . 0 0 "[ . 1 . 2]" 1
1021 1 25 LEU H 1 25 LEU HG 3.300 . 3.300 2.645 2.302 3.543 0.243 4 0 "[ . 1 . 2]" 1
1022 1 79 LEU H 1 79 LEU MD2 4.720 . 4.720 4.120 3.874 4.358 . 0 0 "[ . 1 . 2]" 1
1023 1 79 LEU H 1 79 LEU MD1 4.720 . 4.720 4.191 4.021 4.390 . 0 0 "[ . 1 . 2]" 1
1024 1 79 LEU H 1 79 LEU QB 3.900 . 3.900 2.264 2.161 2.405 . 0 0 "[ . 1 . 2]" 1
1025 1 8 THR H 1 9 ASP HA 5.000 . 5.000 4.776 4.045 5.085 0.085 11 0 "[ . 1 . 2]" 1
1026 1 60 MET H 1 60 MET HG2 4.500 . 4.500 3.823 2.491 4.455 . 0 0 "[ . 1 . 2]" 1
1027 1 62 LYS H 1 62 LYS HD3 5.000 . 5.000 3.851 3.482 4.869 . 0 0 "[ . 1 . 2]" 1
1028 1 71 HIS HA 1 91 VAL H 4.770 . 4.770 3.649 3.368 3.971 . 0 0 "[ . 1 . 2]" 1
1029 1 91 VAL H 1 91 VAL HB 4.100 . 4.100 3.617 3.540 3.679 . 0 0 "[ . 1 . 2]" 1
1030 1 91 VAL H 1 91 VAL MG1 3.920 . 3.920 2.127 1.946 2.382 . 0 0 "[ . 1 . 2]" 1
1031 1 91 VAL H 1 91 VAL MG2 3.920 . 3.920 2.022 1.795 2.335 . 0 0 "[ . 1 . 2]" 1
1032 1 91 VAL H 1 97 ILE MD 4.980 . 4.980 4.238 3.986 4.590 . 0 0 "[ . 1 . 2]" 1
1033 1 97 ILE H 1 99 THR H 5.000 . 5.000 4.074 3.823 4.192 . 0 0 "[ . 1 . 2]" 1
1034 1 102 TYR H 1 102 TYR HB3 3.430 . 3.430 2.026 1.972 2.100 . 0 0 "[ . 1 . 2]" 1
1035 1 101 ILE HB 1 102 TYR H 3.310 . 3.310 2.487 2.327 2.581 . 0 0 "[ . 1 . 2]" 1
1036 1 26 VAL H 1 27 ARG H 4.540 . 4.540 4.459 4.360 4.531 . 0 0 "[ . 1 . 2]" 1
1037 1 74 TYR H 1 75 CYS H 5.000 . 5.000 2.512 2.361 2.668 . 0 0 "[ . 1 . 2]" 1
1038 1 73 VAL H 1 89 PHE QD 4.670 . 4.670 4.527 3.401 4.755 0.085 10 0 "[ . 1 . 2]" 1
1039 1 73 VAL MG1 1 74 TYR H 4.150 . 4.150 2.561 2.318 2.810 . 0 0 "[ . 1 . 2]" 1
1040 1 73 VAL H 1 73 VAL HB 3.490 . 3.490 2.677 2.596 2.753 . 0 0 "[ . 1 . 2]" 1
1041 1 36 LEU H 1 38 SER H 4.560 . 4.560 3.959 3.877 4.039 . 0 0 "[ . 1 . 2]" 1
1042 1 66 ASP H 1 73 VAL H 5.000 . 5.000 4.773 4.535 5.049 0.049 19 0 "[ . 1 . 2]" 1
1043 1 67 GLU H 1 74 TYR QD 5.000 . 5.000 4.966 4.633 5.078 0.078 9 0 "[ . 1 . 2]" 1
1044 1 62 LYS H 1 63 ARG H 3.570 . 3.570 2.105 1.995 2.193 . 0 0 "[ . 1 . 2]" 1
1045 1 59 ILE HA 1 62 LYS H 5.000 . 5.000 4.034 3.805 4.309 . 0 0 "[ . 1 . 2]" 1
1046 1 60 MET QB 1 62 LYS H 4.740 . 4.740 4.582 4.392 4.704 . 0 0 "[ . 1 . 2]" 1
1047 1 62 LYS H 1 63 ARG QB 5.000 . 5.000 5.027 4.857 5.070 0.070 2 0 "[ . 1 . 2]" 1
1048 1 77 ASN HA 1 77 ASN HD21 4.350 . 4.350 3.450 1.921 4.296 . 0 0 "[ . 1 . 2]" 1
1049 1 77 ASN HA 1 77 ASN HD22 4.350 . 4.350 4.140 3.552 4.449 0.099 16 0 "[ . 1 . 2]" 1
1050 1 105 LEU MD1 1 106 VAL HA 5.000 . 5.000 3.185 2.949 3.570 . 0 0 "[ . 1 . 2]" 1
1051 2 5 THR HA 2 5 THR MG 3.270 . 3.270 3.183 2.254 3.244 . 0 0 "[ . 1 . 2]" 1
1052 2 6 PHE HA 2 9 LEU HG 4.890 . 4.890 2.621 1.997 4.412 . 0 0 "[ . 1 . 2]" 1
1053 2 6 PHE HA 2 9 LEU HB3 5.000 . 5.000 4.700 4.449 5.008 0.008 16 0 "[ . 1 . 2]" 1
1054 1 54 TYR HA 1 57 GLN HE22 5.000 . 5.000 5.050 4.890 5.097 0.097 16 0 "[ . 1 . 2]" 1
1055 2 11 SER HA 2 12 SER H 3.420 . 3.420 3.310 3.234 3.385 . 0 0 "[ . 1 . 2]" 1
1056 2 10 TRP HA 2 11 SER HA 5.000 . 5.000 4.694 4.623 4.765 . 0 0 "[ . 1 . 2]" 1
1057 2 10 TRP HA 2 10 TRP HE3 5.000 . 5.000 2.963 2.743 3.263 . 0 0 "[ . 1 . 2]" 1
1058 2 9 LEU HA 2 9 LEU MD1 4.290 . 4.290 3.721 3.616 4.085 . 0 0 "[ . 1 . 2]" 1
1059 2 15 PRO HB2 2 16 ASP HA 4.770 . 4.770 4.479 4.001 4.783 0.013 11 0 "[ . 1 . 2]" 1
1060 2 1 ASP HA 2 1 ASP QB 2.610 . 2.610 2.365 2.185 2.467 . 0 0 "[ . 1 . 2]" 1
1061 2 14 GLU HA 2 14 GLU QG 3.340 . 3.340 3.184 2.282 3.414 0.074 20 0 "[ . 1 . 2]" 1
1062 2 14 GLU HA 2 15 PRO HD2 3.620 . 3.620 2.629 2.194 2.864 . 0 0 "[ . 1 . 2]" 1
1063 2 14 GLU QG 2 15 PRO HD2 4.020 . 4.020 3.538 2.966 3.997 . 0 0 "[ . 1 . 2]" 1
1064 2 14 GLU QG 2 15 PRO HD3 4.370 . 4.370 4.326 3.674 4.475 0.105 17 0 "[ . 1 . 2]" 1
1065 2 14 GLU H 2 15 PRO HD3 5.000 . 5.000 4.901 4.629 5.092 0.092 1 0 "[ . 1 . 2]" 1
1066 2 2 GLY HA2 2 4 THR MG 5.000 . 5.000 4.195 3.051 5.092 0.092 1 0 "[ . 1 . 2]" 1
1067 2 2 GLY HA3 2 4 THR MG 5.000 . 5.000 4.181 2.844 5.052 0.052 18 0 "[ . 1 . 2]" 1
1068 2 16 ASP H 2 16 ASP HB2 3.780 . 3.780 3.490 3.047 3.651 . 0 0 "[ . 1 . 2]" 1
1069 2 15 PRO HB2 2 16 ASP HB2 5.000 . 5.000 3.963 3.514 5.059 0.059 15 0 "[ . 1 . 2]" 1
1070 2 15 PRO HB2 2 16 ASP HB3 5.000 . 5.000 3.544 3.159 4.922 . 0 0 "[ . 1 . 2]" 1
1071 2 15 PRO HA 2 16 ASP HB2 5.000 . 5.000 4.686 4.424 5.009 0.009 15 0 "[ . 1 . 2]" 1
1072 2 15 PRO HA 2 16 ASP HB3 5.000 . 5.000 5.039 4.792 5.150 0.150 16 0 "[ . 1 . 2]" 1
1073 1 97 ILE HG13 2 13 LEU HB3 5.000 . 5.000 4.751 4.143 5.019 0.019 6 0 "[ . 1 . 2]" 1
1074 1 97 ILE HG13 2 13 LEU HB2 4.690 . 4.690 4.087 3.329 4.504 . 0 0 "[ . 1 . 2]" 1
1075 2 7 GLU HA 2 7 GLU HG2 4.000 . 4.000 2.955 2.503 3.840 . 0 0 "[ . 1 . 2]" 1
1076 2 7 GLU HA 2 7 GLU HG3 4.000 . 4.000 2.840 2.552 3.715 . 0 0 "[ . 1 . 2]" 1
1077 2 14 GLU H 2 14 GLU HB3 3.790 . 3.790 2.724 2.429 3.668 . 0 0 "[ . 1 . 2]" 1
1078 2 14 GLU HB2 2 15 PRO HD2 3.800 . 3.800 2.397 1.930 3.822 0.022 4 0 "[ . 1 . 2]" 1
1079 2 14 GLU HB3 2 15 PRO HD2 3.800 . 3.800 3.443 2.194 3.852 0.052 15 0 "[ . 1 . 2]" 1
1080 2 5 THR MG 2 8 HIS QB 4.190 . 4.190 2.214 1.942 2.978 . 0 0 "[ . 1 . 2]" 1
1081 2 8 HIS QB 2 9 LEU HB2 5.000 . 5.000 5.061 4.991 5.117 0.117 20 0 "[ . 1 . 2]" 1
1082 2 10 TRP HA 2 13 LEU HG 4.190 . 4.190 3.151 2.599 3.826 . 0 0 "[ . 1 . 2]" 1
1083 2 13 LEU HA 2 13 LEU HG 3.930 . 3.930 3.789 3.758 3.815 . 0 0 "[ . 1 . 2]" 1
1084 2 13 LEU HG 2 14 GLU H 4.430 . 4.430 3.856 3.144 4.154 . 0 0 "[ . 1 . 2]" 1
1085 2 13 LEU H 2 13 LEU HG 3.540 . 3.540 2.259 2.116 2.348 . 0 0 "[ . 1 . 2]" 1
1086 2 14 GLU HA 2 15 PRO HG2 4.670 . 4.670 4.611 4.364 4.699 0.029 8 0 "[ . 1 . 2]" 1
1087 2 14 GLU HA 2 15 PRO HG3 4.670 . 4.670 4.404 4.005 4.620 . 0 0 "[ . 1 . 2]" 1
1088 2 9 LEU HA 2 9 LEU MD2 4.290 . 4.290 3.985 3.531 4.126 . 0 0 "[ . 1 . 2]" 1
1089 1 71 HIS HA 2 9 LEU MD2 5.000 . 5.000 3.158 2.635 3.890 . 0 0 "[ . 1 . 2]" 1
1090 2 13 LEU HB2 2 13 LEU MD1 2.980 . 2.980 2.309 2.217 2.390 . 0 0 "[ . 1 . 2]" 1
1091 2 13 LEU HB2 2 13 LEU MD2 2.980 . 2.980 2.457 2.366 2.514 . 0 0 "[ . 1 . 2]" 1
1092 1 35 LEU MD1 1 55 LEU HG 3.990 . 3.990 2.334 1.993 2.637 . 0 0 "[ . 1 . 2]" 1
1093 1 97 ILE HB 2 13 LEU MD1 4.300 . 4.300 2.695 2.456 3.012 . 0 0 "[ . 1 . 2]" 1
1094 1 97 ILE HB 2 13 LEU MD2 4.300 . 4.300 3.547 3.240 3.997 . 0 0 "[ . 1 . 2]" 1
1095 2 13 LEU HA 2 13 LEU MD1 4.220 . 4.220 3.628 3.588 3.660 . 0 0 "[ . 1 . 2]" 1
1096 2 13 LEU HA 2 13 LEU MD2 4.220 . 4.220 4.074 4.040 4.124 . 0 0 "[ . 1 . 2]" 1
1097 1 35 LEU MD1 1 55 LEU HA 3.610 . 3.610 2.078 1.893 2.338 . 0 0 "[ . 1 . 2]" 1
1098 1 35 LEU MD1 1 39 VAL H 5.000 . 5.000 4.810 4.444 4.999 . 0 0 "[ . 1 . 2]" 1
1099 2 13 LEU H 2 13 LEU MD2 3.680 . 3.680 3.656 3.458 3.730 0.050 20 0 "[ . 1 . 2]" 1
1100 2 4 THR MG 2 5 THR H 4.180 . 4.180 3.732 2.145 4.223 0.043 5 0 "[ . 1 . 2]" 1
1101 1 98 TYR QD 1 99 THR MG 5.000 . 5.000 4.356 4.032 4.731 . 0 0 "[ . 1 . 2]" 1
1102 2 4 THR MG 2 8 HIS QB 5.000 . 5.000 4.701 4.044 5.041 0.041 1 0 "[ . 1 . 2]" 1
1103 2 14 GLU HA 2 15 PRO HD3 3.190 . 3.190 2.184 1.926 2.404 . 0 0 "[ . 1 . 2]" 1
1104 2 10 TRP HA 2 13 LEU HB3 3.580 . 3.580 3.369 3.142 3.630 0.050 7 0 "[ . 1 . 2]" 1
1105 1 71 HIS HA 2 9 LEU MD1 5.000 . 5.000 3.019 2.563 3.576 . 0 0 "[ . 1 . 2]" 1
1106 2 1 ASP HA 2 2 GLY HA2 5.000 . 5.000 4.601 4.344 4.972 . 0 0 "[ . 1 . 2]" 1
1107 2 1 ASP HA 2 2 GLY HA3 5.000 . 5.000 4.808 4.323 5.078 0.078 8 0 "[ . 1 . 2]" 1
1108 1 89 PHE QE 2 10 TRP HE3 4.560 . 4.560 3.771 3.374 4.198 . 0 0 "[ . 1 . 2]" 1
1109 2 6 PHE QE 2 10 TRP HE3 4.820 . 4.820 3.272 2.156 3.918 . 0 0 "[ . 1 . 2]" 1
1110 1 59 ILE MD 2 10 TRP HZ2 4.400 . 4.400 3.325 2.927 3.833 . 0 0 "[ . 1 . 2]" 1
1111 1 55 LEU HG 2 10 TRP HZ2 4.480 . 4.480 4.454 4.265 4.534 0.054 4 0 "[ . 1 . 2]" 1
1112 2 10 TRP HA 2 10 TRP HD1 4.850 . 4.850 4.406 4.228 4.540 . 0 0 "[ . 1 . 2]" 1
1113 2 2 GLY H 2 3 GLY H 3.880 . 3.880 3.601 2.382 4.086 0.206 9 0 "[ . 1 . 2]" 1
1114 2 1 ASP HA 2 2 GLY H 3.090 . 3.090 3.161 3.058 3.343 0.253 6 0 "[ . 1 . 2]" 1
1115 2 1 ASP QB 2 2 GLY H 4.140 . 4.140 3.528 2.873 3.942 . 0 0 "[ . 1 . 2]" 1
1116 2 3 GLY H 2 4 THR MG 4.080 . 4.080 3.634 2.806 4.121 0.041 19 0 "[ . 1 . 2]" 1
1117 2 3 GLY H 2 4 THR H 3.640 . 3.640 2.857 2.004 3.644 0.004 15 0 "[ . 1 . 2]" 1
1118 2 4 THR H 2 4 THR HB 4.110 . 4.110 3.567 3.232 4.044 . 0 0 "[ . 1 . 2]" 1
1119 2 4 THR H 2 4 THR MG 3.710 . 3.710 2.590 2.252 3.067 . 0 0 "[ . 1 . 2]" 1
1120 1 56 GLY H 2 10 TRP HE1 3.610 . 3.610 2.273 2.169 2.335 . 0 0 "[ . 1 . 2]" 1
1121 1 52 LEU H 2 10 TRP HE1 5.000 . 5.000 4.794 4.475 5.092 0.092 17 0 "[ . 1 . 2]" 1
1122 1 55 LEU H 2 10 TRP HE1 4.410 . 4.410 3.913 3.763 4.034 . 0 0 "[ . 1 . 2]" 1
1123 2 10 TRP H 2 11 SER H 3.770 . 3.770 2.389 2.341 2.442 . 0 0 "[ . 1 . 2]" 1
1124 2 9 LEU H 2 10 TRP H 3.900 . 3.900 2.659 2.466 2.842 . 0 0 "[ . 1 . 2]" 1
1125 2 8 HIS H 2 8 HIS QB 2.990 . 2.990 2.338 2.215 2.418 . 0 0 "[ . 1 . 2]" 1
1126 2 8 HIS H 2 9 LEU H 3.370 . 3.370 2.312 2.220 2.405 . 0 0 "[ . 1 . 2]" 1
1127 2 8 HIS QB 2 9 LEU H 3.410 . 3.410 2.354 2.197 2.565 . 0 0 "[ . 1 . 2]" 1
1128 2 9 LEU H 2 9 LEU MD2 3.900 . 3.900 3.225 1.996 3.625 . 0 0 "[ . 1 . 2]" 1
1129 2 9 LEU H 2 9 LEU MD1 3.900 . 3.900 3.232 3.003 3.685 . 0 0 "[ . 1 . 2]" 1
1130 2 6 PHE HA 2 9 LEU H 3.980 . 3.980 3.625 3.442 3.861 . 0 0 "[ . 1 . 2]" 1
1131 2 10 TRP H 2 10 TRP HB2 3.610 . 3.610 2.738 2.666 2.790 . 0 0 "[ . 1 . 2]" 1
1132 2 9 LEU MD1 2 10 TRP H 4.790 . 4.790 2.603 1.859 4.669 . 0 0 "[ . 1 . 2]" 1
1133 2 9 LEU MD2 2 10 TRP H 4.790 . 4.790 3.963 1.816 4.610 . 0 0 "[ . 1 . 2]" 1
1134 2 10 TRP H 2 11 SER QB 4.470 . 4.470 4.473 4.392 4.550 0.080 16 0 "[ . 1 . 2]" 1
1135 2 10 TRP H 2 11 SER HA 5.000 . 5.000 5.030 4.986 5.052 0.052 19 0 "[ . 1 . 2]" 1
1136 2 8 HIS HA 2 10 TRP H 5.000 . 5.000 4.394 4.151 4.573 . 0 0 "[ . 1 . 2]" 1
1137 2 11 SER H 2 12 SER H 3.560 . 3.560 2.541 2.429 2.672 . 0 0 "[ . 1 . 2]" 1
1138 2 5 THR H 2 6 PHE H 5.000 . 5.000 4.518 4.397 4.608 . 0 0 "[ . 1 . 2]" 1
1139 1 70 GLN HA 2 6 PHE H 4.950 . 4.950 4.661 3.763 5.013 0.063 7 0 "[ . 1 . 2]" 1
1140 2 5 THR MG 2 6 PHE H 4.120 . 4.120 3.675 2.641 4.004 . 0 0 "[ . 1 . 2]" 1
1141 1 70 GLN HB3 2 6 PHE H 4.240 . 4.240 2.561 2.023 4.078 . 0 0 "[ . 1 . 2]" 1
1142 1 70 GLN HB2 2 6 PHE H 4.240 . 4.240 3.569 3.184 4.258 0.018 10 0 "[ . 1 . 2]" 1
1143 2 6 PHE H 2 8 HIS H 5.000 . 5.000 4.228 3.999 4.383 . 0 0 "[ . 1 . 2]" 1
1144 2 5 THR MG 2 8 HIS H 3.370 . 3.370 2.155 1.864 2.611 . 0 0 "[ . 1 . 2]" 1
1145 2 8 HIS H 2 9 LEU HB3 5.000 . 5.000 4.846 4.551 5.014 0.014 9 0 "[ . 1 . 2]" 1
1146 2 8 HIS H 2 9 LEU MD1 5.000 . 5.000 4.567 4.275 5.126 0.126 8 0 "[ . 1 . 2]" 1
1147 2 8 HIS H 2 9 LEU MD2 5.000 . 5.000 4.514 3.174 5.008 0.008 7 0 "[ . 1 . 2]" 1
1148 2 5 THR MG 2 9 LEU H 4.100 . 4.100 3.667 3.423 4.154 0.054 18 0 "[ . 1 . 2]" 1
1149 2 9 LEU H 2 9 LEU HB3 3.470 . 3.470 2.675 2.331 2.789 . 0 0 "[ . 1 . 2]" 1
1150 2 9 LEU H 2 9 LEU HB2 3.840 . 3.840 3.616 3.565 3.707 . 0 0 "[ . 1 . 2]" 1
1151 2 9 LEU H 2 9 LEU HG 4.100 . 4.100 2.442 1.914 4.066 . 0 0 "[ . 1 . 2]" 1
1152 2 5 THR H 2 9 LEU H 4.860 . 4.860 4.472 3.778 4.894 0.034 8 0 "[ . 1 . 2]" 1
1153 2 8 HIS H 2 10 TRP H 5.000 . 5.000 3.801 3.663 3.995 . 0 0 "[ . 1 . 2]" 1
1154 2 10 TRP H 2 10 TRP HE3 5.000 . 5.000 4.991 4.908 5.047 0.047 4 0 "[ . 1 . 2]" 1
1155 2 10 TRP H 2 12 SER H 4.780 . 4.780 3.676 3.614 3.780 . 0 0 "[ . 1 . 2]" 1
1156 2 10 TRP H 2 10 TRP HD1 4.810 . 4.810 4.693 4.442 4.811 0.001 9 0 "[ . 1 . 2]" 1
1157 2 10 TRP H 2 12 SER QB 4.720 . 4.720 4.758 4.720 4.795 0.075 13 0 "[ . 1 . 2]" 1
1158 2 7 GLU HA 2 10 TRP H 4.930 . 4.930 4.404 3.740 4.826 . 0 0 "[ . 1 . 2]" 1
1159 2 8 HIS QB 2 10 TRP H 4.660 . 4.660 4.566 4.462 4.662 0.002 13 0 "[ . 1 . 2]" 1
1160 2 10 TRP H 2 10 TRP HB3 3.610 . 3.610 2.357 2.182 2.468 . 0 0 "[ . 1 . 2]" 1
1161 2 9 LEU HB2 2 10 TRP H 4.690 . 4.690 4.032 3.849 4.374 . 0 0 "[ . 1 . 2]" 1
1162 1 57 GLN H 2 10 TRP HE1 4.860 . 4.860 4.656 4.543 4.792 . 0 0 "[ . 1 . 2]" 1
1163 1 55 LEU HA 2 10 TRP HE1 5.000 . 5.000 5.052 4.966 5.112 0.112 9 0 "[ . 1 . 2]" 1
1164 1 53 PHE HA 2 10 TRP HE1 4.720 . 4.720 4.681 4.019 4.796 0.076 18 0 "[ . 1 . 2]" 1
1165 1 56 GLY HA2 2 10 TRP HE1 3.920 . 3.920 3.015 2.742 3.419 . 0 0 "[ . 1 . 2]" 1
1166 1 56 GLY HA3 2 10 TRP HE1 3.920 . 3.920 2.709 2.456 2.991 . 0 0 "[ . 1 . 2]" 1
1167 1 55 LEU MD1 2 10 TRP HE1 4.800 . 4.800 4.382 4.136 4.677 . 0 0 "[ . 1 . 2]" 1
1168 1 55 LEU MD2 2 10 TRP HE1 4.800 . 4.800 3.854 3.564 4.450 . 0 0 "[ . 1 . 2]" 1
1169 1 59 ILE MD 2 10 TRP HE1 5.000 . 5.000 3.982 3.643 4.528 . 0 0 "[ . 1 . 2]" 1
1170 2 9 LEU H 2 11 SER H 4.470 . 4.470 4.230 4.015 4.406 . 0 0 "[ . 1 . 2]" 1
1171 2 11 SER H 2 11 SER QB 3.060 . 3.060 2.473 2.392 2.580 . 0 0 "[ . 1 . 2]" 1
1172 2 11 SER H 2 12 SER QB 4.680 . 4.680 4.383 4.215 4.542 . 0 0 "[ . 1 . 2]" 1
1173 2 10 TRP HB3 2 11 SER H 4.240 . 4.240 2.687 2.511 2.867 . 0 0 "[ . 1 . 2]" 1
1174 2 10 TRP HB2 2 11 SER H 4.240 . 4.240 3.962 3.860 4.088 . 0 0 "[ . 1 . 2]" 1
1175 2 12 SER H 2 14 GLU H 4.520 . 4.520 4.477 4.256 4.594 0.074 2 0 "[ . 1 . 2]" 1
1176 2 11 SER QB 2 12 SER H 4.010 . 4.010 3.339 3.110 3.774 . 0 0 "[ . 1 . 2]" 1
1177 2 12 SER H 2 12 SER QB 2.910 . 2.910 2.463 2.393 2.522 . 0 0 "[ . 1 . 2]" 1
1178 2 10 TRP HA 2 12 SER H 3.930 . 3.930 3.640 3.519 3.860 . 0 0 "[ . 1 . 2]" 1
1179 2 12 SER H 2 13 LEU HA 4.720 . 4.720 4.497 4.333 4.642 . 0 0 "[ . 1 . 2]" 1
1180 2 12 SER H 2 13 LEU HB3 4.180 . 4.180 4.120 3.827 4.214 0.034 12 0 "[ . 1 . 2]" 1
1181 2 12 SER H 2 13 LEU HG 4.270 . 4.270 3.971 3.635 4.281 0.011 11 0 "[ . 1 . 2]" 1
1182 2 13 LEU H 2 13 LEU MD1 3.680 . 3.680 3.305 3.026 3.567 . 0 0 "[ . 1 . 2]" 1
1183 1 52 LEU MD1 2 13 LEU H 5.000 . 5.000 3.184 2.123 5.062 0.062 19 0 "[ . 1 . 2]" 1
1184 1 52 LEU MD2 2 13 LEU H 5.000 . 5.000 3.437 2.525 3.962 . 0 0 "[ . 1 . 2]" 1
1185 2 13 LEU H 2 13 LEU HB3 2.980 . 2.980 2.944 2.765 3.019 0.039 16 0 "[ . 1 . 2]" 1
1186 1 52 LEU HG 2 13 LEU H 5.000 . 5.000 4.873 4.093 5.166 0.166 17 0 "[ . 1 . 2]" 1
1187 2 13 LEU H 2 14 GLU QG 4.730 . 4.730 4.184 3.534 4.870 0.140 2 0 "[ . 1 . 2]" 1
1188 2 10 TRP HA 2 13 LEU H 4.370 . 4.370 3.988 3.683 4.375 0.005 2 0 "[ . 1 . 2]" 1
1189 2 11 SER QB 2 13 LEU H 4.940 . 4.940 4.883 4.746 4.984 0.044 16 0 "[ . 1 . 2]" 1
1190 2 12 SER QB 2 13 LEU H 3.740 . 3.740 3.718 3.609 3.784 0.044 2 0 "[ . 1 . 2]" 1
1191 2 12 SER HA 2 13 LEU H 3.330 . 3.330 3.150 3.035 3.242 . 0 0 "[ . 1 . 2]" 1
1192 2 11 SER HA 2 13 LEU H 4.000 . 4.000 3.863 3.636 4.031 0.031 5 0 "[ . 1 . 2]" 1
1193 2 13 LEU H 2 14 GLU HA 5.000 . 5.000 4.717 4.536 5.031 0.031 11 0 "[ . 1 . 2]" 1
1194 2 12 SER H 2 13 LEU H 3.120 . 3.120 2.486 2.355 2.603 . 0 0 "[ . 1 . 2]" 1
1195 2 13 LEU H 2 14 GLU H 3.500 . 3.500 2.399 2.209 2.630 . 0 0 "[ . 1 . 2]" 1
1196 2 11 SER H 2 13 LEU H 4.660 . 4.660 4.477 4.295 4.654 . 0 0 "[ . 1 . 2]" 1
1197 2 12 SER HA 2 14 GLU H 3.590 . 3.590 3.320 3.134 3.518 . 0 0 "[ . 1 . 2]" 1
1198 2 13 LEU HA 2 14 GLU H 3.380 . 3.380 3.042 2.825 3.360 . 0 0 "[ . 1 . 2]" 1
1199 2 14 GLU H 2 14 GLU QG 3.020 . 3.020 2.374 1.829 3.081 0.061 20 0 "[ . 1 . 2]" 1
1200 2 14 GLU H 2 14 GLU HB2 3.790 . 3.790 3.413 2.249 3.704 . 0 0 "[ . 1 . 2]" 1
1201 2 13 LEU HB3 2 14 GLU H 4.540 . 4.540 4.426 4.290 4.522 . 0 0 "[ . 1 . 2]" 1
1202 1 52 LEU MD2 2 14 GLU H 5.000 . 5.000 3.868 2.175 4.862 . 0 0 "[ . 1 . 2]" 1
1203 1 52 LEU MD1 2 14 GLU H 5.000 . 5.000 3.404 2.473 4.962 . 0 0 "[ . 1 . 2]" 1
1204 2 15 PRO HD2 2 16 ASP H 3.890 . 3.890 2.673 1.913 3.410 . 0 0 "[ . 1 . 2]" 1
1205 2 16 ASP H 2 16 ASP HB3 3.780 . 3.780 3.029 2.696 3.707 . 0 0 "[ . 1 . 2]" 1
1206 2 14 GLU QG 2 16 ASP H 4.520 . 4.520 3.779 2.423 4.597 0.077 4 0 "[ . 1 . 2]" 1
1207 2 15 PRO HB2 2 16 ASP H 3.130 . 3.130 2.606 2.033 3.159 0.029 4 0 "[ . 1 . 2]" 1
1208 2 15 PRO HB3 2 16 ASP H 4.010 . 4.010 3.813 3.510 4.066 0.056 16 0 "[ . 1 . 2]" 1
1209 2 5 THR H 2 5 THR MG 3.210 . 3.210 2.113 1.913 3.456 0.246 18 0 "[ . 1 . 2]" 1
1210 2 4 THR H 2 5 THR H 4.510 . 4.510 3.779 1.902 4.554 0.044 2 0 "[ . 1 . 2]" 1
1211 2 4 THR HB 2 5 THR H 4.340 . 4.340 3.301 2.319 4.318 . 0 0 "[ . 1 . 2]" 1
1212 2 6 PHE H 2 6 PHE QD 4.840 . 4.840 4.175 4.123 4.224 . 0 0 "[ . 1 . 2]" 1
1213 1 6 VAL H 1 6 VAL QG 3.410 . 3.410 2.004 1.807 2.368 . 0 0 "[ . 1 . 2]" 1
1214 1 6 VAL HA 1 6 VAL QG 3.130 . 3.130 2.288 2.233 2.354 . 0 0 "[ . 1 . 2]" 1
1215 1 6 VAL QG 1 7 PRO HD2 3.040 . 3.040 3.035 2.813 3.101 0.061 1 0 "[ . 1 . 2]" 1
1216 1 6 VAL QG 1 7 PRO HD3 4.960 . 4.960 3.530 3.369 3.783 . 0 0 "[ . 1 . 2]" 1
1217 1 12 VAL H 1 12 VAL QG 3.880 . 3.880 1.958 1.796 2.243 . 0 0 "[ . 1 . 2]" 1
1218 1 12 VAL QG 1 13 THR H 4.810 . 4.810 3.246 2.097 3.759 . 0 0 "[ . 1 . 2]" 1
1219 1 16 GLN QB 1 17 ILE H 3.730 . 3.730 3.144 2.163 3.750 0.020 20 0 "[ . 1 . 2]" 1
1220 1 17 ILE HA 1 17 ILE QG 3.500 . 3.500 2.470 2.406 2.528 . 0 0 "[ . 1 . 2]" 1
1221 1 17 ILE QG 1 17 ILE MG 3.170 . 3.170 2.336 2.311 2.368 . 0 0 "[ . 1 . 2]" 1
1222 1 17 ILE QG 1 18 PRO HD2 4.740 . 4.740 3.778 3.561 4.030 . 0 0 "[ . 1 . 2]" 1
1223 1 17 ILE QG 1 18 PRO HD3 4.880 . 4.880 4.447 4.275 4.615 . 0 0 "[ . 1 . 2]" 1
1224 1 18 PRO QB 1 19 ALA H 3.400 . 3.400 3.234 2.562 3.458 0.058 2 0 "[ . 1 . 2]" 1
1225 1 21 GLU H 1 21 GLU QB 3.570 . 3.570 2.445 2.332 2.560 . 0 0 "[ . 1 . 2]" 1
1226 1 21 GLU QB 1 22 GLN H 4.150 . 4.150 3.153 1.989 3.982 . 0 0 "[ . 1 . 2]" 1
1227 1 25 LEU H 1 25 LEU QB 3.050 . 3.050 2.383 2.311 2.444 . 0 0 "[ . 1 . 2]" 1
1228 1 25 LEU HA 1 25 LEU QD 2.840 . 2.840 2.029 1.928 2.147 . 0 0 "[ . 1 . 2]" 1
1229 1 25 LEU QB 1 25 LEU QD 2.490 . 2.490 1.940 1.909 2.063 . 0 0 "[ . 1 . 2]" 1
1230 1 25 LEU QB 1 26 VAL H 3.490 . 3.490 2.967 2.441 3.412 . 0 0 "[ . 1 . 2]" 1
1231 1 25 LEU QB 1 26 VAL QG 4.830 . 4.830 3.954 3.609 4.164 . 0 0 "[ . 1 . 2]" 1
1232 1 25 LEU QB 1 45 THR HB 3.960 . 3.960 2.171 1.841 2.913 . 0 0 "[ . 1 . 2]" 1
1233 1 25 LEU QD 1 26 VAL H 3.970 . 3.970 3.387 3.045 3.601 . 0 0 "[ . 1 . 2]" 1
1234 1 25 LEU QD 1 45 THR HB 3.520 . 3.520 2.164 1.889 2.610 . 0 0 "[ . 1 . 2]" 1
1235 1 25 LEU QD 1 46 TYR H 3.490 . 3.490 3.037 2.440 3.282 . 0 0 "[ . 1 . 2]" 1
1236 1 25 LEU QD 1 46 TYR HA 3.320 . 3.320 2.670 2.144 3.245 . 0 0 "[ . 1 . 2]" 1
1237 1 25 LEU QD 1 46 TYR QB 4.380 . 4.380 3.971 3.715 4.301 . 0 0 "[ . 1 . 2]" 1
1238 1 25 LEU QD 1 47 THR H 3.710 . 3.710 3.112 2.488 3.497 . 0 0 "[ . 1 . 2]" 1
1239 1 25 LEU QD 1 47 THR HA 3.510 . 3.510 2.980 2.715 3.280 . 0 0 "[ . 1 . 2]" 1
1240 1 25 LEU QD 1 47 THR MG 2.800 . 2.800 1.915 1.783 2.066 . 0 0 "[ . 1 . 2]" 1
1241 1 25 LEU QD 1 48 MET H 4.960 . 4.960 5.010 4.898 5.087 0.127 19 0 "[ . 1 . 2]" 1
1242 1 26 VAL H 1 26 VAL QG 3.290 . 3.290 1.963 1.792 2.058 . 0 0 "[ . 1 . 2]" 1
1243 1 26 VAL QG 1 27 ARG H 3.300 . 3.300 3.231 3.071 3.353 0.053 14 0 "[ . 1 . 2]" 1
1244 1 26 VAL QG 1 46 TYR H 4.420 . 4.420 3.044 2.295 3.359 . 0 0 "[ . 1 . 2]" 1
1245 1 26 VAL QG 1 46 TYR QB 4.830 . 4.830 3.463 2.149 4.211 . 0 0 "[ . 1 . 2]" 1
1246 1 26 VAL QG 1 105 LEU HB3 4.390 . 4.390 3.211 2.791 3.554 . 0 0 "[ . 1 . 2]" 1
1247 1 26 VAL QG 1 105 LEU MD2 3.860 . 3.860 1.924 1.788 1.998 . 0 0 "[ . 1 . 2]" 1
1248 1 27 ARG H 1 27 ARG QB 3.330 . 3.330 2.472 2.349 2.782 . 0 0 "[ . 1 . 2]" 1
1249 1 27 ARG H 1 27 ARG QG 3.310 . 3.310 2.570 2.187 2.860 . 0 0 "[ . 1 . 2]" 1
1250 1 27 ARG H 1 27 ARG QD 4.660 . 4.660 3.760 2.927 4.609 . 0 0 "[ . 1 . 2]" 1
1251 1 27 ARG QB 1 27 ARG QD 3.080 . 3.080 2.489 2.096 2.867 . 0 0 "[ . 1 . 2]" 1
1252 1 27 ARG QG 1 106 VAL H 4.880 . 4.880 3.807 2.911 4.653 . 0 0 "[ . 1 . 2]" 1
1253 1 27 ARG QD 1 45 THR MG 4.370 . 4.370 3.044 1.963 4.122 . 0 0 "[ . 1 . 2]" 1
1254 1 27 ARG QD 1 106 VAL H 4.880 . 4.880 4.898 4.482 5.047 0.167 5 0 "[ . 1 . 2]" 1
1255 1 27 ARG QD 1 106 VAL QG 4.150 . 4.150 3.471 2.202 4.198 0.048 4 0 "[ . 1 . 2]" 1
1256 1 30 PRO HA 1 31 LEU QD 4.960 . 4.960 4.982 4.933 5.029 0.069 19 0 "[ . 1 . 2]" 1
1257 1 30 PRO HA 1 33 LEU QB 4.520 . 4.520 2.218 2.004 2.841 . 0 0 "[ . 1 . 2]" 1
1258 1 31 LEU H 1 31 LEU QD 3.400 . 3.400 2.945 2.819 3.107 . 0 0 "[ . 1 . 2]" 1
1259 1 31 LEU HA 1 34 LYS QB 3.940 . 3.940 3.437 2.316 3.989 0.049 6 0 "[ . 1 . 2]" 1
1260 1 31 LEU QB 1 31 LEU QD 2.590 . 2.590 1.953 1.937 1.967 . 0 0 "[ . 1 . 2]" 1
1261 1 31 LEU QB 1 83 LEU QD 3.330 . 3.330 2.639 2.147 3.376 0.046 6 0 "[ . 1 . 2]" 1
1262 1 31 LEU QD 1 83 LEU QD 2.990 . 2.990 2.077 1.820 2.505 . 0 0 "[ . 1 . 2]" 1
1263 1 32 LEU H 1 36 LEU QD 4.960 . 4.960 4.951 4.774 5.010 0.050 18 0 "[ . 1 . 2]" 1
1264 1 32 LEU QB 1 33 LEU H 3.690 . 3.690 2.670 2.388 2.844 . 0 0 "[ . 1 . 2]" 1
1265 1 32 LEU HG 1 36 LEU QD 4.180 . 4.180 4.018 2.944 4.221 0.041 16 0 "[ . 1 . 2]" 1
1266 1 32 LEU MD2 1 36 LEU QD 3.790 . 3.790 3.370 3.204 3.618 . 0 0 "[ . 1 . 2]" 1
1267 1 33 LEU H 1 33 LEU QB 3.280 . 3.280 2.289 2.088 2.447 . 0 0 "[ . 1 . 2]" 1
1268 1 33 LEU H 1 33 LEU QD 3.850 . 3.850 3.378 3.038 3.733 . 0 0 "[ . 1 . 2]" 1
1269 1 33 LEU H 1 36 LEU QD 4.570 . 4.570 3.840 3.635 4.200 . 0 0 "[ . 1 . 2]" 1
1270 1 33 LEU HA 1 33 LEU QD 3.000 . 3.000 2.054 1.959 2.936 . 0 0 "[ . 1 . 2]" 1
1271 1 33 LEU HA 1 36 LEU QB 3.710 . 3.710 2.452 2.210 2.738 . 0 0 "[ . 1 . 2]" 1
1272 1 33 LEU HA 1 36 LEU QD 3.620 . 3.620 2.532 2.020 3.640 0.020 17 0 "[ . 1 . 2]" 1
1273 1 33 LEU QB 1 33 LEU QD 2.540 . 2.540 1.915 1.889 2.070 . 0 0 "[ . 1 . 2]" 1
1274 1 33 LEU QD 1 34 LYS H 4.170 . 4.170 3.984 3.355 4.199 0.029 10 0 "[ . 1 . 2]" 1
1275 1 33 LEU QD 1 34 LYS HA 4.960 . 4.960 4.574 3.098 5.071 0.111 7 0 "[ . 1 . 2]" 1
1276 1 33 LEU QD 1 36 LEU QD 4.450 . 4.450 2.821 1.974 4.187 . 0 0 "[ . 1 . 2]" 1
1277 1 33 LEU QD 1 37 LYS H 4.950 . 4.950 4.128 3.383 4.729 . 0 0 "[ . 1 . 2]" 1
1278 1 33 LEU QD 1 41 ALA MB 4.550 . 4.550 4.206 3.435 4.566 0.016 7 0 "[ . 1 . 2]" 1
1279 1 34 LYS H 1 34 LYS QB 3.060 . 3.060 2.415 2.104 2.598 . 0 0 "[ . 1 . 2]" 1
1280 1 34 LYS QB 1 35 LEU H 3.580 . 3.580 3.346 2.455 3.636 0.056 1 0 "[ . 1 . 2]" 1
1281 1 34 LYS QG 1 35 LEU H 4.060 . 4.060 2.525 2.199 3.158 . 0 0 "[ . 1 . 2]" 1
1282 1 34 LYS QG 1 35 LEU HG 4.750 . 4.750 4.327 3.876 4.838 0.088 17 0 "[ . 1 . 2]" 1
1283 1 35 LEU H 1 36 LEU QD 4.640 . 4.640 4.356 3.631 4.643 0.003 8 0 "[ . 1 . 2]" 1
1284 1 35 LEU HG 1 36 LEU QD 3.980 . 3.980 3.280 2.172 3.722 . 0 0 "[ . 1 . 2]" 1
1285 1 35 LEU MD1 1 36 LEU QD 3.270 . 3.270 2.074 1.883 2.203 . 0 0 "[ . 1 . 2]" 1
1286 1 35 LEU MD1 1 39 VAL QG 4.170 . 4.170 2.985 2.510 3.885 . 0 0 "[ . 1 . 2]" 1
1287 1 35 LEU MD1 1 55 LEU QD 3.080 . 3.080 2.929 2.544 3.124 0.044 19 0 "[ . 1 . 2]" 1
1288 1 36 LEU H 1 36 LEU QD 3.680 . 3.680 2.942 2.303 3.123 . 0 0 "[ . 1 . 2]" 1
1289 1 36 LEU HA 1 36 LEU QD 3.280 . 3.280 2.098 2.008 2.174 . 0 0 "[ . 1 . 2]" 1
1290 1 36 LEU HA 1 39 VAL QG 4.100 . 4.100 2.315 2.051 2.660 . 0 0 "[ . 1 . 2]" 1
1291 1 36 LEU QB 1 37 LYS H 3.820 . 3.820 2.410 2.235 2.590 . 0 0 "[ . 1 . 2]" 1
1292 1 36 LEU QB 1 41 ALA H 4.860 . 4.860 4.085 3.796 4.418 . 0 0 "[ . 1 . 2]" 1
1293 1 36 LEU QB 1 41 ALA MB 3.990 . 3.990 2.046 1.868 2.336 . 0 0 "[ . 1 . 2]" 1
1294 1 36 LEU QD 1 37 LYS H 4.600 . 4.600 3.984 3.847 4.097 . 0 0 "[ . 1 . 2]" 1
1295 1 36 LEU QD 1 39 VAL QG 3.860 . 3.860 3.194 2.858 3.481 . 0 0 "[ . 1 . 2]" 1
1296 1 36 LEU QD 1 51 VAL HA 3.770 . 3.770 2.979 2.423 3.468 . 0 0 "[ . 1 . 2]" 1
1297 1 36 LEU QD 1 54 TYR HB2 3.890 . 3.890 2.193 1.905 2.534 . 0 0 "[ . 1 . 2]" 1
1298 1 36 LEU QD 1 54 TYR HB3 3.370 . 3.370 2.351 2.134 2.597 . 0 0 "[ . 1 . 2]" 1
1299 1 36 LEU QD 1 54 TYR QD 3.530 . 3.530 3.012 2.398 3.394 . 0 0 "[ . 1 . 2]" 1
1300 1 36 LEU QD 1 54 TYR QE 4.960 . 4.960 4.393 3.789 4.745 . 0 0 "[ . 1 . 2]" 1
1301 1 36 LEU QD 1 55 LEU H 3.930 . 3.930 3.462 2.889 3.833 . 0 0 "[ . 1 . 2]" 1
1302 1 36 LEU QD 1 55 LEU HA 4.340 . 4.340 3.392 2.617 3.797 . 0 0 "[ . 1 . 2]" 1
1303 1 36 LEU QD 1 55 LEU HB2 4.410 . 4.410 3.403 2.600 3.988 . 0 0 "[ . 1 . 2]" 1
1304 1 38 SER H 1 39 VAL QG 4.370 . 4.370 3.510 3.341 3.987 . 0 0 "[ . 1 . 2]" 1
1305 1 39 VAL H 1 39 VAL QG 3.060 . 3.060 2.035 1.958 2.167 . 0 0 "[ . 1 . 2]" 1
1306 1 39 VAL H 1 40 GLY QA 4.640 . 4.640 4.314 4.173 4.452 . 0 0 "[ . 1 . 2]" 1
1307 1 39 VAL HA 1 40 GLY QA 4.280 . 4.280 3.965 3.913 4.073 . 0 0 "[ . 1 . 2]" 1
1308 1 39 VAL QG 1 40 GLY H 3.420 . 3.420 3.158 2.689 3.261 . 0 0 "[ . 1 . 2]" 1
1309 1 39 VAL QG 1 40 GLY QA 4.230 . 4.230 3.806 3.377 3.964 . 0 0 "[ . 1 . 2]" 1
1310 1 39 VAL QG 1 41 ALA H 3.430 . 3.430 3.321 2.971 3.463 0.033 10 0 "[ . 1 . 2]" 1
1311 1 39 VAL QG 1 41 ALA MB 3.950 . 3.950 3.286 2.998 3.519 . 0 0 "[ . 1 . 2]" 1
1312 1 39 VAL QG 1 54 TYR H 4.960 . 4.960 4.681 4.561 4.838 . 0 0 "[ . 1 . 2]" 1
1313 1 39 VAL QG 1 54 TYR HA 4.960 . 4.960 2.727 2.544 2.986 . 0 0 "[ . 1 . 2]" 1
1314 1 39 VAL QG 1 54 TYR QD 3.480 . 3.480 2.102 1.899 3.258 . 0 0 "[ . 1 . 2]" 1
1315 1 39 VAL QG 1 55 LEU H 4.920 . 4.920 4.406 4.244 4.938 0.018 16 0 "[ . 1 . 2]" 1
1316 1 39 VAL QG 1 57 GLN H 4.330 . 4.330 3.698 3.558 3.850 . 0 0 "[ . 1 . 2]" 1
1317 1 39 VAL QG 1 58 TYR H 3.970 . 3.970 2.568 2.320 3.581 . 0 0 "[ . 1 . 2]" 1
1318 1 40 GLY QA 1 41 ALA MB 4.340 . 4.340 4.257 4.128 4.310 . 0 0 "[ . 1 . 2]" 1
1319 1 41 ALA H 1 42 GLN QG 4.880 . 4.880 4.773 4.487 4.965 0.085 12 0 "[ . 1 . 2]" 1
1320 1 41 ALA HA 1 42 GLN QG 4.100 . 4.100 3.473 3.134 3.722 . 0 0 "[ . 1 . 2]" 1
1321 1 42 GLN H 1 42 GLN QG 3.530 . 3.530 2.496 2.233 2.905 . 0 0 "[ . 1 . 2]" 1
1322 1 42 GLN H 1 43 LYS QG 4.730 . 4.730 3.701 3.385 4.171 . 0 0 "[ . 1 . 2]" 1
1323 1 42 GLN HA 1 42 GLN QG 3.300 . 3.300 2.486 2.312 2.875 . 0 0 "[ . 1 . 2]" 1
1324 1 42 GLN HB2 1 42 GLN QG 2.490 . 2.490 2.298 2.154 2.387 . 0 0 "[ . 1 . 2]" 1
1325 1 43 LYS H 1 43 LYS QG 3.540 . 3.540 2.622 2.406 3.156 . 0 0 "[ . 1 . 2]" 1
1326 1 43 LYS QB 1 43 LYS QE 3.390 . 3.390 2.240 1.902 3.415 0.025 1 0 "[ . 1 . 2]" 1
1327 1 43 LYS QB 1 45 THR H 3.300 . 3.300 2.242 1.829 2.493 . 0 0 "[ . 1 . 2]" 1
1328 1 43 LYS QE 1 43 LYS QG 3.430 . 3.430 2.316 2.045 2.402 . 0 0 "[ . 1 . 2]" 1
1329 1 44 ASP QB 1 45 THR H 3.430 . 3.430 3.234 2.925 3.445 0.015 2 0 "[ . 1 . 2]" 1
1330 1 45 THR HB 1 46 TYR QB 4.880 . 4.880 4.944 4.877 5.039 0.159 8 0 "[ . 1 . 2]" 1
1331 1 46 TYR H 1 46 TYR QB 3.550 . 3.550 2.952 2.541 3.279 . 0 0 "[ . 1 . 2]" 1
1332 1 46 TYR QB 1 47 THR H 3.530 . 3.530 2.628 2.246 2.875 . 0 0 "[ . 1 . 2]" 1
1333 1 46 TYR QB 1 51 VAL H 4.880 . 4.880 3.738 3.237 4.361 . 0 0 "[ . 1 . 2]" 1
1334 1 46 TYR QB 1 51 VAL QG 4.110 . 4.110 3.318 2.536 4.110 . 0 0 "[ . 1 . 2]" 1
1335 1 47 THR H 1 49 LYS QB 4.880 . 4.880 4.897 4.674 5.029 0.149 12 0 "[ . 1 . 2]" 1
1336 1 47 THR H 1 51 VAL QG 4.610 . 4.610 4.411 4.067 4.658 0.048 20 0 "[ . 1 . 2]" 1
1337 1 47 THR HA 1 51 VAL QG 4.670 . 4.670 4.363 4.078 4.688 0.018 2 0 "[ . 1 . 2]" 1
1338 1 48 MET H 1 51 VAL QG 4.290 . 4.290 4.001 3.769 4.276 . 0 0 "[ . 1 . 2]" 1
1339 1 48 MET ME 2 13 LEU QD 4.210 . 4.210 4.086 3.812 4.291 0.081 17 0 "[ . 1 . 2]" 1
1340 1 49 LYS H 1 49 LYS QB 2.990 . 2.990 2.349 2.097 2.587 . 0 0 "[ . 1 . 2]" 1
1341 1 49 LYS H 1 49 LYS QG 4.070 . 4.070 2.638 1.918 3.923 . 0 0 "[ . 1 . 2]" 1
1342 1 49 LYS H 1 51 VAL QG 4.670 . 4.670 4.224 3.900 4.529 . 0 0 "[ . 1 . 2]" 1
1343 1 49 LYS H 1 52 LEU QD 4.630 . 4.630 4.211 3.578 4.645 0.015 15 0 "[ . 1 . 2]" 1
1344 1 49 LYS HA 1 52 LEU QD 3.550 . 3.550 2.346 1.948 2.751 . 0 0 "[ . 1 . 2]" 1
1345 1 49 LYS QG 1 50 GLU H 4.220 . 4.220 3.930 3.668 4.153 . 0 0 "[ . 1 . 2]" 1
1346 1 49 LYS QG 1 52 LEU QD 4.830 . 4.830 3.298 2.734 3.932 . 0 0 "[ . 1 . 2]" 1
1347 1 50 GLU H 1 51 VAL QG 4.120 . 4.120 3.651 3.454 3.807 . 0 0 "[ . 1 . 2]" 1
1348 1 50 GLU H 1 52 LEU QD 4.960 . 4.960 4.742 4.141 5.057 0.097 5 0 "[ . 1 . 2]" 1
1349 1 51 VAL H 1 51 VAL QG 2.950 . 2.950 1.909 1.782 2.053 . 0 0 "[ . 1 . 2]" 1
1350 1 51 VAL H 1 52 LEU QD 4.630 . 4.630 4.204 3.527 4.654 0.024 20 0 "[ . 1 . 2]" 1
1351 1 51 VAL HA 1 51 VAL QG 2.910 . 2.910 2.162 2.086 2.330 . 0 0 "[ . 1 . 2]" 1
1352 1 51 VAL QG 1 52 LEU H 3.500 . 3.500 2.948 2.175 3.212 . 0 0 "[ . 1 . 2]" 1
1353 1 51 VAL QG 1 52 LEU QD 3.580 . 3.580 3.209 2.577 3.439 . 0 0 "[ . 1 . 2]" 1
1354 1 51 VAL QG 1 55 LEU H 3.420 . 3.420 3.369 3.171 3.472 0.052 1 0 "[ . 1 . 2]" 1
1355 1 51 VAL QG 1 55 LEU HB2 3.200 . 3.200 2.111 1.965 2.530 . 0 0 "[ . 1 . 2]" 1
1356 1 51 VAL QG 1 55 LEU HB3 4.120 . 4.120 2.847 2.608 3.793 . 0 0 "[ . 1 . 2]" 1
1357 1 51 VAL QG 1 101 ILE MG 3.240 . 3.240 1.924 1.736 2.225 . 0 0 "[ . 1 . 2]" 1
1358 1 51 VAL QG 1 101 ILE MD 3.080 . 3.080 2.031 1.782 2.225 . 0 0 "[ . 1 . 2]" 1
1359 1 52 LEU H 1 52 LEU QD 3.210 . 3.210 2.450 1.861 2.922 . 0 0 "[ . 1 . 2]" 1
1360 1 52 LEU HG 2 13 LEU QD 3.960 . 3.960 3.324 2.289 3.950 . 0 0 "[ . 1 . 2]" 1
1361 1 52 LEU QD 1 55 LEU HB3 4.690 . 4.690 4.499 4.222 4.772 0.082 19 0 "[ . 1 . 2]" 1
1362 1 52 LEU QD 1 98 TYR QE 3.760 . 3.760 3.269 2.634 3.767 0.007 14 0 "[ . 1 . 2]" 1
1363 1 52 LEU QD 2 10 TRP HE1 4.670 . 4.670 3.728 3.033 4.239 . 0 0 "[ . 1 . 2]" 1
1364 1 52 LEU QD 2 10 TRP HZ2 4.130 . 4.130 3.799 3.173 4.229 0.099 17 0 "[ . 1 . 2]" 1
1365 1 52 LEU QD 2 13 LEU H 4.200 . 4.200 2.383 2.112 2.881 . 0 0 "[ . 1 . 2]" 1
1366 1 52 LEU QD 2 13 LEU HB3 4.960 . 4.960 4.084 3.730 4.603 . 0 0 "[ . 1 . 2]" 1
1367 1 52 LEU QD 2 13 LEU QD 2.980 . 2.980 1.859 1.742 2.123 . 0 0 "[ . 1 . 2]" 1
1368 1 52 LEU QD 2 14 GLU H 4.010 . 4.010 2.669 2.169 3.041 . 0 0 "[ . 1 . 2]" 1
1369 1 52 LEU QD 2 14 GLU QG 4.700 . 4.700 3.137 1.903 3.823 . 0 0 "[ . 1 . 2]" 1
1370 1 52 LEU QD 2 15 PRO HD2 4.920 . 4.920 4.512 3.536 4.992 0.072 10 0 "[ . 1 . 2]" 1
1371 1 53 PHE H 1 53 PHE QB 3.330 . 3.330 2.433 2.240 2.610 . 0 0 "[ . 1 . 2]" 1
1372 1 53 PHE QB 1 54 TYR H 3.640 . 3.640 2.318 2.154 2.469 . 0 0 "[ . 1 . 2]" 1
1373 1 54 TYR H 1 57 GLN QG 4.040 . 4.040 4.079 4.013 4.119 0.079 20 0 "[ . 1 . 2]" 1
1374 1 54 TYR QD 1 57 GLN QG 3.840 . 3.840 3.169 2.583 3.867 0.027 5 0 "[ . 1 . 2]" 1
1375 1 55 LEU HA 1 55 LEU QD 3.460 . 3.460 2.726 2.273 2.882 . 0 0 "[ . 1 . 2]" 1
1376 1 55 LEU QD 1 56 GLY H 4.620 . 4.620 3.698 3.622 3.826 . 0 0 "[ . 1 . 2]" 1
1377 1 55 LEU QD 1 57 GLN H 4.960 . 4.960 4.925 4.879 4.983 0.023 4 0 "[ . 1 . 2]" 1
1378 1 55 LEU QD 1 59 ILE MD 3.810 . 3.810 1.952 1.865 2.032 . 0 0 "[ . 1 . 2]" 1
1379 1 55 LEU QD 1 97 ILE MG 3.970 . 3.970 3.724 3.157 4.015 0.045 4 0 "[ . 1 . 2]" 1
1380 1 55 LEU QD 1 97 ILE MD 4.960 . 4.960 4.761 4.317 5.021 0.061 4 0 "[ . 1 . 2]" 1
1381 1 55 LEU QD 1 101 ILE HG12 4.210 . 4.210 2.609 2.138 2.913 . 0 0 "[ . 1 . 2]" 1
1382 1 55 LEU QD 1 101 ILE MD 3.310 . 3.310 2.724 2.310 3.143 . 0 0 "[ . 1 . 2]" 1
1383 1 55 LEU QD 2 10 TRP HE1 4.220 . 4.220 3.605 3.422 3.887 . 0 0 "[ . 1 . 2]" 1
1384 1 55 LEU QD 2 10 TRP HZ2 3.860 . 3.860 2.032 1.923 2.133 . 0 0 "[ . 1 . 2]" 1
1385 1 56 GLY H 1 57 GLN QG 4.370 . 4.370 4.029 3.925 4.114 . 0 0 "[ . 1 . 2]" 1
1386 1 56 GLY QA 1 58 TYR H 4.880 . 4.880 4.023 3.895 4.178 . 0 0 "[ . 1 . 2]" 1
1387 1 56 GLY QA 1 59 ILE H 4.400 . 4.400 3.352 3.096 3.521 . 0 0 "[ . 1 . 2]" 1
1388 1 56 GLY QA 2 10 TRP HE1 3.310 . 3.310 2.522 2.291 2.812 . 0 0 "[ . 1 . 2]" 1
1389 1 57 GLN H 1 57 GLN QG 3.230 . 3.230 2.061 1.981 2.154 . 0 0 "[ . 1 . 2]" 1
1390 1 57 GLN H 1 57 GLN QE 4.050 . 4.050 3.462 3.325 3.662 . 0 0 "[ . 1 . 2]" 1
1391 1 57 GLN HA 1 57 GLN QE 4.190 . 4.190 3.768 3.664 3.861 . 0 0 "[ . 1 . 2]" 1
1392 1 57 GLN QG 1 58 TYR H 4.880 . 4.880 3.695 3.560 3.783 . 0 0 "[ . 1 . 2]" 1
1393 1 59 ILE HA 1 64 LEU QD 4.130 . 4.130 2.221 1.853 2.593 . 0 0 "[ . 1 . 2]" 1
1394 1 59 ILE HA 1 73 VAL QG 4.960 . 4.960 4.291 4.068 4.604 . 0 0 "[ . 1 . 2]" 1
1395 1 59 ILE HA 1 80 LEU QD 4.470 . 4.470 3.574 3.134 4.020 . 0 0 "[ . 1 . 2]" 1
1396 1 59 ILE MG 1 64 LEU QD 4.830 . 4.830 2.979 2.449 3.269 . 0 0 "[ . 1 . 2]" 1
1397 1 59 ILE MG 1 73 VAL QG 2.940 . 2.940 1.914 1.828 2.141 . 0 0 "[ . 1 . 2]" 1
1398 1 59 ILE MG 1 80 LEU QD 3.430 . 3.430 3.000 2.562 3.217 . 0 0 "[ . 1 . 2]" 1
1399 1 59 ILE QG 1 80 LEU QD 3.310 . 3.310 2.055 1.843 2.341 . 0 0 "[ . 1 . 2]" 1
1400 1 59 ILE MD 1 73 VAL QG 4.020 . 4.020 2.348 2.098 2.613 . 0 0 "[ . 1 . 2]" 1
1401 1 60 MET HA 1 60 MET QG 3.360 . 3.360 2.517 2.324 2.837 . 0 0 "[ . 1 . 2]" 1
1402 1 60 MET QG 2 6 PHE QD 3.910 . 3.910 2.475 1.941 2.983 . 0 0 "[ . 1 . 2]" 1
1403 1 60 MET QG 2 6 PHE QE 3.890 . 3.890 3.225 1.994 3.957 0.067 3 0 "[ . 1 . 2]" 1
1404 1 62 LYS H 1 62 LYS QB 3.520 . 3.520 2.423 2.227 2.565 . 0 0 "[ . 1 . 2]" 1
1405 1 62 LYS H 1 62 LYS QD 4.350 . 4.350 3.673 3.383 4.062 . 0 0 "[ . 1 . 2]" 1
1406 1 62 LYS H 1 63 ARG QD 4.640 . 4.640 3.846 3.563 4.655 0.015 9 0 "[ . 1 . 2]" 1
1407 1 62 LYS HA 1 62 LYS QD 3.310 . 3.310 2.163 1.971 2.458 . 0 0 "[ . 1 . 2]" 1
1408 1 62 LYS QB 1 62 LYS QE 4.370 . 4.370 3.569 2.000 3.831 . 0 0 "[ . 1 . 2]" 1
1409 1 62 LYS QB 1 64 LEU H 4.880 . 4.880 3.407 2.839 3.848 . 0 0 "[ . 1 . 2]" 1
1410 1 62 LYS QB 1 64 LEU QD 3.700 . 3.700 2.209 1.717 2.453 . 0 0 "[ . 1 . 2]" 1
1411 1 62 LYS QD 1 64 LEU QD 4.200 . 4.200 3.825 3.407 4.140 . 0 0 "[ . 1 . 2]" 1
1412 1 62 LYS QE 1 64 LEU QD 4.960 . 4.960 4.300 2.750 4.709 . 0 0 "[ . 1 . 2]" 1
1413 1 63 ARG H 1 63 ARG QD 4.070 . 4.070 2.576 2.379 3.108 . 0 0 "[ . 1 . 2]" 1
1414 1 64 LEU H 1 64 LEU QD 3.570 . 3.570 3.039 2.192 3.317 . 0 0 "[ . 1 . 2]" 1
1415 1 64 LEU H 1 73 VAL QG 4.730 . 4.730 4.290 4.051 4.750 0.020 10 0 "[ . 1 . 2]" 1
1416 1 64 LEU HA 1 64 LEU QD 3.840 . 3.840 2.076 2.007 2.131 . 0 0 "[ . 1 . 2]" 1
1417 1 64 LEU HB2 1 80 LEU QD 3.700 . 3.700 3.682 3.226 3.797 0.097 12 0 "[ . 1 . 2]" 1
1418 1 64 LEU HB3 1 73 VAL QG 4.960 . 4.960 3.256 2.834 3.676 . 0 0 "[ . 1 . 2]" 1
1419 1 64 LEU HB3 1 80 LEU QD 4.200 . 4.200 3.933 3.456 4.202 0.002 18 0 "[ . 1 . 2]" 1
1420 1 64 LEU QD 1 73 VAL QG 4.910 . 4.910 3.763 3.455 4.390 . 0 0 "[ . 1 . 2]" 1
1421 1 65 TYR H 1 73 VAL QG 4.510 . 4.510 3.619 3.384 4.348 . 0 0 "[ . 1 . 2]" 1
1422 1 65 TYR HA 1 73 VAL QG 4.290 . 4.290 2.399 1.960 2.812 . 0 0 "[ . 1 . 2]" 1
1423 1 65 TYR QB 1 66 ASP H 3.670 . 3.670 2.294 2.038 3.033 . 0 0 "[ . 1 . 2]" 1
1424 1 65 TYR QB 1 73 VAL QG 4.390 . 4.390 2.133 1.868 3.715 . 0 0 "[ . 1 . 2]" 1
1425 1 65 TYR QD 1 73 VAL QG 4.960 . 4.960 3.381 2.253 3.691 . 0 0 "[ . 1 . 2]" 1
1426 1 66 ASP H 1 73 VAL QG 4.090 . 4.090 3.745 3.281 4.101 0.011 19 0 "[ . 1 . 2]" 1
1427 1 67 GLU H 1 67 GLU QB 3.020 . 3.020 2.676 2.486 2.806 . 0 0 "[ . 1 . 2]" 1
1428 1 67 GLU H 1 68 LYS QG 3.970 . 3.970 3.683 3.141 4.052 0.082 11 0 "[ . 1 . 2]" 1
1429 1 67 GLU QB 1 68 LYS H 3.810 . 3.810 3.588 2.551 3.809 . 0 0 "[ . 1 . 2]" 1
1430 1 67 GLU QG 1 68 LYS QG 3.950 . 3.950 2.715 2.130 4.055 0.105 10 0 "[ . 1 . 2]" 1
1431 1 68 LYS H 1 68 LYS QG 3.090 . 3.090 2.058 1.861 2.231 . 0 0 "[ . 1 . 2]" 1
1432 1 68 LYS HA 1 68 LYS QG 3.460 . 3.460 3.223 3.021 3.436 . 0 0 "[ . 1 . 2]" 1
1433 1 68 LYS HB2 1 68 LYS QG 2.510 . 2.510 2.128 2.072 2.376 . 0 0 "[ . 1 . 2]" 1
1434 1 68 LYS QD 1 68 LYS QG 2.370 . 2.370 2.078 2.026 2.102 . 0 0 "[ . 1 . 2]" 1
1435 1 68 LYS QE 1 68 LYS QG 3.090 . 3.090 2.136 2.062 2.255 . 0 0 "[ . 1 . 2]" 1
1436 1 68 LYS QG 1 69 GLN H 3.750 . 3.750 3.170 2.348 3.549 . 0 0 "[ . 1 . 2]" 1
1437 1 69 GLN H 1 69 GLN QB 3.340 . 3.340 2.534 2.417 2.694 . 0 0 "[ . 1 . 2]" 1
1438 1 69 GLN HA 1 70 GLN QG 4.880 . 4.880 4.090 3.488 4.980 0.100 3 0 "[ . 1 . 2]" 1
1439 1 69 GLN QB 1 72 ILE H 4.320 . 4.320 3.020 2.621 3.261 . 0 0 "[ . 1 . 2]" 1
1440 1 69 GLN QB 1 72 ILE MG 3.820 . 3.820 3.373 2.947 3.641 . 0 0 "[ . 1 . 2]" 1
1441 1 69 GLN QB 1 72 ILE QG 3.800 . 3.800 2.274 2.113 2.579 . 0 0 "[ . 1 . 2]" 1
1442 1 69 GLN QG 1 72 ILE QG 3.850 . 3.850 3.411 2.708 3.695 . 0 0 "[ . 1 . 2]" 1
1443 1 70 GLN H 1 70 GLN QB 3.470 . 3.470 2.440 2.306 2.756 . 0 0 "[ . 1 . 2]" 1
1444 1 70 GLN H 1 70 GLN QG 3.400 . 3.400 2.498 2.040 3.375 . 0 0 "[ . 1 . 2]" 1
1445 1 70 GLN QB 1 71 HIS H 3.820 . 3.820 2.884 2.516 3.793 . 0 0 "[ . 1 . 2]" 1
1446 1 70 GLN QB 2 6 PHE H 3.660 . 3.660 2.469 2.005 3.157 . 0 0 "[ . 1 . 2]" 1
1447 1 70 GLN QG 1 71 HIS H 4.880 . 4.880 4.207 3.173 4.670 . 0 0 "[ . 1 . 2]" 1
1448 1 70 GLN QG 2 6 PHE H 4.330 . 4.330 3.279 1.929 4.341 0.011 19 0 "[ . 1 . 2]" 1
1449 1 71 HIS H 1 71 HIS QB 3.350 . 3.350 2.580 2.433 2.791 . 0 0 "[ . 1 . 2]" 1
1450 1 71 HIS H 1 91 VAL QG 4.360 . 4.360 4.069 3.943 4.246 . 0 0 "[ . 1 . 2]" 1
1451 1 71 HIS H 2 9 LEU QD 4.010 . 4.010 3.576 3.058 4.133 0.123 19 0 "[ . 1 . 2]" 1
1452 1 71 HIS HA 1 92 LYS QE 4.380 . 4.380 3.834 3.303 4.203 . 0 0 "[ . 1 . 2]" 1
1453 1 71 HIS HA 2 9 LEU QD 3.880 . 3.880 2.716 2.411 3.178 . 0 0 "[ . 1 . 2]" 1
1454 1 71 HIS QB 1 72 ILE H 4.430 . 4.430 3.845 3.021 3.993 . 0 0 "[ . 1 . 2]" 1
1455 1 71 HIS QB 1 91 VAL HB 4.880 . 4.880 4.860 4.682 4.983 0.103 19 0 "[ . 1 . 2]" 1
1456 1 71 HIS QB 1 91 VAL QG 4.010 . 4.010 2.187 1.964 2.461 . 0 0 "[ . 1 . 2]" 1
1457 1 71 HIS QB 1 92 LYS H 4.250 . 4.250 3.466 3.200 3.745 . 0 0 "[ . 1 . 2]" 1
1458 1 71 HIS QB 1 92 LYS QE 3.710 . 3.710 2.361 2.025 2.996 . 0 0 "[ . 1 . 2]" 1
1459 1 71 HIS QB 2 9 LEU QD 3.540 . 3.540 2.667 1.899 3.569 0.029 18 0 "[ . 1 . 2]" 1
1460 1 72 ILE H 1 72 ILE QG 4.090 . 4.090 2.901 2.565 3.105 . 0 0 "[ . 1 . 2]" 1
1461 1 72 ILE QG 1 72 ILE MG 2.980 . 2.980 2.272 2.239 2.304 . 0 0 "[ . 1 . 2]" 1
1462 1 72 ILE MG 1 88 SER QB 4.190 . 4.190 3.319 2.551 4.102 . 0 0 "[ . 1 . 2]" 1
1463 1 72 ILE MD 1 90 SER QB 4.880 . 4.880 2.783 2.091 3.422 . 0 0 "[ . 1 . 2]" 1
1464 1 73 VAL H 1 73 VAL QG 3.660 . 3.660 2.449 2.043 2.664 . 0 0 "[ . 1 . 2]" 1
1465 1 73 VAL HB 1 80 LEU QD 4.600 . 4.600 4.603 4.229 4.705 0.105 12 0 "[ . 1 . 2]" 1
1466 1 73 VAL HB 1 91 VAL QG 4.920 . 4.920 3.846 3.409 4.290 . 0 0 "[ . 1 . 2]" 1
1467 1 73 VAL QG 1 74 TYR H 3.330 . 3.330 2.536 2.305 2.767 . 0 0 "[ . 1 . 2]" 1
1468 1 73 VAL QG 1 74 TYR QB 4.830 . 4.830 4.017 3.896 4.094 . 0 0 "[ . 1 . 2]" 1
1469 1 73 VAL QG 1 74 TYR QD 4.960 . 4.960 4.600 4.290 4.805 . 0 0 "[ . 1 . 2]" 1
1470 1 73 VAL QG 1 75 CYS H 4.460 . 4.460 3.112 2.810 3.363 . 0 0 "[ . 1 . 2]" 1
1471 1 73 VAL QG 1 75 CYS QB 4.360 . 4.360 2.852 1.991 3.337 . 0 0 "[ . 1 . 2]" 1
1472 1 73 VAL QG 1 80 LEU QD 3.110 . 3.110 2.998 2.718 3.142 0.032 18 0 "[ . 1 . 2]" 1
1473 1 73 VAL QG 1 89 PHE H 4.240 . 4.240 3.728 3.473 4.001 . 0 0 "[ . 1 . 2]" 1
1474 1 73 VAL QG 1 89 PHE QD 3.310 . 3.310 3.065 2.601 3.217 . 0 0 "[ . 1 . 2]" 1
1475 1 73 VAL QG 1 89 PHE QE 3.630 . 3.630 2.300 2.058 2.953 . 0 0 "[ . 1 . 2]" 1
1476 1 73 VAL QG 1 91 VAL QG 3.630 . 3.630 2.088 1.921 2.206 . 0 0 "[ . 1 . 2]" 1
1477 1 73 VAL QG 2 6 PHE QE 4.110 . 4.110 2.276 1.943 3.539 . 0 0 "[ . 1 . 2]" 1
1478 1 74 TYR HA 1 88 SER QB 3.930 . 3.930 2.275 1.826 3.513 . 0 0 "[ . 1 . 2]" 1
1479 1 74 TYR QB 1 76 SER H 3.720 . 3.720 2.569 2.185 3.494 . 0 0 "[ . 1 . 2]" 1
1480 1 74 TYR QD 1 88 SER QB 3.410 . 3.410 2.340 1.841 2.957 . 0 0 "[ . 1 . 2]" 1
1481 1 75 CYS QB 1 80 LEU QD 3.210 . 3.210 2.529 1.892 3.066 . 0 0 "[ . 1 . 2]" 1
1482 1 75 CYS QB 1 81 GLY H 4.020 . 4.020 2.457 1.934 3.457 . 0 0 "[ . 1 . 2]" 1
1483 1 77 ASN HA 1 77 ASN QB 2.640 . 2.640 2.393 2.346 2.465 . 0 0 "[ . 1 . 2]" 1
1484 1 77 ASN HA 1 77 ASN QD 3.810 . 3.810 3.255 1.913 3.891 0.081 16 0 "[ . 1 . 2]" 1
1485 1 77 ASN QB 1 77 ASN QD 2.970 . 2.970 2.217 2.059 2.735 . 0 0 "[ . 1 . 2]" 1
1486 1 77 ASN QB 1 78 ASP H 3.960 . 3.960 3.378 2.951 3.674 . 0 0 "[ . 1 . 2]" 1
1487 1 78 ASP QB 1 80 LEU QD 4.370 . 4.370 3.684 2.316 4.395 0.025 14 0 "[ . 1 . 2]" 1
1488 1 79 LEU HA 1 79 LEU QD 2.740 . 2.740 2.029 1.884 2.115 . 0 0 "[ . 1 . 2]" 1
1489 1 79 LEU HA 1 82 ASP QB 3.370 . 3.370 2.537 2.063 3.030 . 0 0 "[ . 1 . 2]" 1
1490 1 79 LEU QB 1 79 LEU QD 2.360 . 2.360 2.054 1.859 2.086 . 0 0 "[ . 1 . 2]" 1
1491 1 79 LEU QD 1 80 LEU H 4.920 . 4.920 3.754 3.363 4.215 . 0 0 "[ . 1 . 2]" 1
1492 1 79 LEU QD 1 80 LEU HA 4.960 . 4.960 3.628 2.783 4.424 . 0 0 "[ . 1 . 2]" 1
1493 1 79 LEU QD 1 81 GLY H 4.960 . 4.960 4.860 4.604 5.049 0.089 6 0 "[ . 1 . 2]" 1
1494 1 79 LEU QD 1 82 ASP H 4.190 . 4.190 3.961 3.578 4.195 0.005 18 0 "[ . 1 . 2]" 1
1495 1 79 LEU QD 1 82 ASP QB 3.250 . 3.250 2.281 1.838 2.504 . 0 0 "[ . 1 . 2]" 1
1496 1 79 LEU QD 1 83 LEU H 3.300 . 3.300 2.853 2.440 3.523 0.223 20 0 "[ . 1 . 2]" 1
1497 1 79 LEU QD 1 83 LEU HA 4.720 . 4.720 3.421 2.963 4.335 . 0 0 "[ . 1 . 2]" 1
1498 1 79 LEU QD 1 83 LEU QD 3.300 . 3.300 1.997 1.754 2.275 . 0 0 "[ . 1 . 2]" 1
1499 1 80 LEU H 1 80 LEU QB 3.510 . 3.510 2.170 1.984 2.513 . 0 0 "[ . 1 . 2]" 1
1500 1 80 LEU H 1 80 LEU QD 3.860 . 3.860 3.604 2.176 3.782 . 0 0 "[ . 1 . 2]" 1
1501 1 80 LEU H 1 83 LEU QD 4.960 . 4.960 4.667 3.990 4.988 0.028 1 0 "[ . 1 . 2]" 1
1502 1 80 LEU HA 1 80 LEU QD 3.530 . 3.530 2.630 2.100 3.372 . 0 0 "[ . 1 . 2]" 1
1503 1 80 LEU HA 1 83 LEU QD 3.880 . 3.880 2.980 2.120 3.616 . 0 0 "[ . 1 . 2]" 1
1504 1 80 LEU QB 1 81 GLY H 4.210 . 4.210 2.419 1.895 3.574 . 0 0 "[ . 1 . 2]" 1
1505 1 80 LEU QD 1 81 GLY H 3.930 . 3.930 3.119 1.674 3.698 . 0 0 "[ . 1 . 2]" 1
1506 1 80 LEU QD 1 82 ASP H 4.960 . 4.960 4.711 3.571 5.016 0.056 14 0 "[ . 1 . 2]" 1
1507 1 80 LEU QD 1 83 LEU QD 4.670 . 4.670 3.811 2.527 4.688 0.018 7 0 "[ . 1 . 2]" 1
1508 1 80 LEU QD 1 84 PHE H 4.410 . 4.410 4.306 3.880 4.498 0.088 10 0 "[ . 1 . 2]" 1
1509 1 80 LEU QD 1 89 PHE QD 3.980 . 3.980 3.431 2.416 4.050 0.070 13 0 "[ . 1 . 2]" 1
1510 1 83 LEU H 1 83 LEU QD 3.530 . 3.530 3.351 2.331 3.505 . 0 0 "[ . 1 . 2]" 1
1511 1 83 LEU HA 1 83 LEU QD 3.070 . 3.070 2.030 1.969 2.154 . 0 0 "[ . 1 . 2]" 1
1512 1 83 LEU HB2 1 83 LEU QD 2.690 . 2.690 2.130 2.078 2.258 . 0 0 "[ . 1 . 2]" 1
1513 1 83 LEU QD 1 85 GLY H 4.960 . 4.960 4.842 4.754 5.021 0.061 14 0 "[ . 1 . 2]" 1
1514 1 83 LEU QD 1 104 ASN HD21 4.630 . 4.630 3.409 2.321 4.427 . 0 0 "[ . 1 . 2]" 1
1515 1 83 LEU QD 1 104 ASN HD22 4.010 . 4.010 2.639 1.623 3.578 . 0 0 "[ . 1 . 2]" 1
1516 1 85 GLY QA 1 86 VAL H 3.000 . 3.000 2.689 2.631 2.769 . 0 0 "[ . 1 . 2]" 1
1517 1 87 PRO QB 1 88 SER H 4.040 . 4.040 3.228 2.651 3.679 . 0 0 "[ . 1 . 2]" 1
1518 1 88 SER QB 1 89 PHE H 3.350 . 3.350 2.690 2.289 3.416 0.066 17 0 "[ . 1 . 2]" 1
1519 1 89 PHE QB 1 90 SER H 3.670 . 3.670 2.712 2.421 3.734 0.064 20 0 "[ . 1 . 2]" 1
1520 1 89 PHE QB 1 100 MET ME 3.900 . 3.900 2.556 2.086 4.019 0.119 20 0 "[ . 1 . 2]" 1
1521 1 89 PHE QE 1 91 VAL QG 4.550 . 4.550 2.559 1.901 3.638 . 0 0 "[ . 1 . 2]" 1
1522 1 90 SER HA 1 91 VAL QG 4.280 . 4.280 3.263 3.054 3.360 . 0 0 "[ . 1 . 2]" 1
1523 1 90 SER QB 1 92 LYS H 4.730 . 4.730 3.158 2.611 3.584 . 0 0 "[ . 1 . 2]" 1
1524 1 90 SER QB 1 93 GLU H 4.490 . 4.490 3.376 2.980 3.782 . 0 0 "[ . 1 . 2]" 1
1525 1 91 VAL H 2 9 LEU QD 4.960 . 4.960 4.554 4.263 4.804 . 0 0 "[ . 1 . 2]" 1
1526 1 91 VAL HA 1 91 VAL QG 3.140 . 3.140 2.286 2.188 2.396 . 0 0 "[ . 1 . 2]" 1
1527 1 91 VAL QG 1 92 LYS H 3.760 . 3.760 2.584 2.276 2.949 . 0 0 "[ . 1 . 2]" 1
1528 1 91 VAL QG 1 92 LYS QB 4.480 . 4.480 3.824 3.060 4.119 . 0 0 "[ . 1 . 2]" 1
1529 1 91 VAL QG 1 92 LYS QE 3.530 . 3.530 2.453 1.870 3.054 . 0 0 "[ . 1 . 2]" 1
1530 1 91 VAL QG 1 93 GLU H 4.920 . 4.920 4.236 4.097 4.479 . 0 0 "[ . 1 . 2]" 1
1531 1 91 VAL QG 1 97 ILE MD 3.270 . 3.270 3.177 2.977 3.329 0.059 20 0 "[ . 1 . 2]" 1
1532 1 91 VAL QG 2 6 PHE QE 3.360 . 3.360 1.925 1.773 2.165 . 0 0 "[ . 1 . 2]" 1
1533 1 91 VAL QG 2 9 LEU QD 3.410 . 3.410 1.836 1.670 2.191 . 0 0 "[ . 1 . 2]" 1
1534 1 91 VAL QG 2 10 TRP HE3 3.430 . 3.430 2.097 1.860 2.410 . 0 0 "[ . 1 . 2]" 1
1535 1 92 LYS H 1 92 LYS QB 3.560 . 3.560 2.392 2.135 2.568 . 0 0 "[ . 1 . 2]" 1
1536 1 92 LYS H 1 92 LYS QG 4.140 . 4.140 2.746 2.177 4.035 . 0 0 "[ . 1 . 2]" 1
1537 1 92 LYS HA 1 92 LYS QG 3.490 . 3.490 2.747 2.258 3.085 . 0 0 "[ . 1 . 2]" 1
1538 1 92 LYS HA 1 92 LYS QD 3.600 . 3.600 2.227 1.860 3.265 . 0 0 "[ . 1 . 2]" 1
1539 1 92 LYS HA 1 92 LYS QE 4.310 . 4.310 3.482 1.941 3.920 . 0 0 "[ . 1 . 2]" 1
1540 1 92 LYS QB 1 92 LYS QD 3.280 . 3.280 2.379 2.292 2.720 . 0 0 "[ . 1 . 2]" 1
1541 1 92 LYS QB 1 93 GLU H 3.720 . 3.720 3.189 2.872 3.556 . 0 0 "[ . 1 . 2]" 1
1542 1 92 LYS QE 1 92 LYS QG 3.290 . 3.290 2.284 2.085 2.738 . 0 0 "[ . 1 . 2]" 1
1543 1 92 LYS QG 1 93 GLU H 4.880 . 4.880 4.479 4.152 4.900 0.020 11 0 "[ . 1 . 2]" 1
1544 1 92 LYS QD 1 93 GLU H 4.880 . 4.880 4.782 4.437 4.910 0.030 7 0 "[ . 1 . 2]" 1
1545 1 92 LYS QE 2 9 LEU QD 3.850 . 3.850 2.194 1.836 2.721 . 0 0 "[ . 1 . 2]" 1
1546 1 93 GLU H 1 93 GLU QB 3.440 . 3.440 2.423 2.205 2.931 . 0 0 "[ . 1 . 2]" 1
1547 1 93 GLU H 1 93 GLU QG 3.430 . 3.430 2.540 1.997 2.919 . 0 0 "[ . 1 . 2]" 1
1548 1 93 GLU HA 1 93 GLU QG 3.660 . 3.660 2.953 2.713 3.380 . 0 0 "[ . 1 . 2]" 1
1549 1 93 GLU QB 1 94 HIS H 3.290 . 3.290 3.430 2.983 3.495 0.205 20 0 "[ . 1 . 2]" 1
1550 1 93 GLU QB 1 96 LYS H 3.550 . 3.550 2.763 2.435 3.271 . 0 0 "[ . 1 . 2]" 1
1551 1 93 GLU QB 1 96 LYS QG 4.270 . 4.270 2.809 1.878 3.733 . 0 0 "[ . 1 . 2]" 1
1552 1 93 GLU QG 1 94 HIS H 4.880 . 4.880 4.551 4.360 4.706 . 0 0 "[ . 1 . 2]" 1
1553 1 93 GLU QG 1 96 LYS QG 4.750 . 4.750 3.316 2.587 4.322 . 0 0 "[ . 1 . 2]" 1
1554 1 96 LYS H 1 96 LYS QG 3.810 . 3.810 3.212 2.220 3.896 0.086 1 0 "[ . 1 . 2]" 1
1555 1 96 LYS HA 1 96 LYS QG 3.020 . 3.020 2.648 2.390 3.020 . 0 0 "[ . 1 . 2]" 1
1556 1 96 LYS QE 1 96 LYS QG 2.720 . 2.720 2.243 2.061 2.729 0.009 10 0 "[ . 1 . 2]" 1
1557 1 96 LYS QG 1 97 ILE H 4.880 . 4.880 4.426 3.892 4.862 . 0 0 "[ . 1 . 2]" 1
1558 1 96 LYS QG 1 100 MET ME 4.370 . 4.370 4.206 2.454 4.475 0.105 6 0 "[ . 1 . 2]" 1
1559 1 97 ILE HB 2 13 LEU QD 3.600 . 3.600 2.612 2.419 2.854 . 0 0 "[ . 1 . 2]" 1
1560 1 97 ILE MG 2 13 LEU QD 3.350 . 3.350 1.899 1.800 2.018 . 0 0 "[ . 1 . 2]" 1
1561 1 97 ILE HG13 2 13 LEU QD 3.950 . 3.950 1.978 1.842 2.168 . 0 0 "[ . 1 . 2]" 1
1562 1 98 TYR H 2 13 LEU QD 4.930 . 4.930 4.189 4.027 4.457 . 0 0 "[ . 1 . 2]" 1
1563 1 98 TYR QD 2 13 LEU QD 4.790 . 4.790 3.499 3.156 3.797 . 0 0 "[ . 1 . 2]" 1
1564 1 98 TYR QE 2 13 LEU QD 4.010 . 4.010 2.456 2.075 2.803 . 0 0 "[ . 1 . 2]" 1
1565 1 99 THR H 1 102 TYR QB 4.880 . 4.880 4.217 4.116 4.378 . 0 0 "[ . 1 . 2]" 1
1566 1 99 THR HA 1 102 TYR QB 3.710 . 3.710 2.050 1.928 2.255 . 0 0 "[ . 1 . 2]" 1
1567 1 99 THR MG 1 102 TYR QB 4.880 . 4.880 3.485 3.349 3.667 . 0 0 "[ . 1 . 2]" 1
1568 1 101 ILE H 1 102 TYR QB 4.880 . 4.880 3.905 3.760 4.069 . 0 0 "[ . 1 . 2]" 1
1569 1 102 TYR H 1 102 TYR QB 3.000 . 3.000 1.997 1.941 2.071 . 0 0 "[ . 1 . 2]" 1
1570 1 102 TYR QB 1 103 ARG H 3.530 . 3.530 3.086 2.975 3.166 . 0 0 "[ . 1 . 2]" 1
1571 1 102 TYR QB 1 105 LEU MD1 4.880 . 4.880 3.775 3.256 4.518 . 0 0 "[ . 1 . 2]" 1
1572 1 105 LEU HB2 1 107 VAL QG 4.960 . 4.960 4.065 3.725 4.508 . 0 0 "[ . 1 . 2]" 1
1573 1 105 LEU HB3 1 107 VAL QG 4.960 . 4.960 4.940 4.758 5.136 0.176 19 0 "[ . 1 . 2]" 1
1574 1 106 VAL H 1 106 VAL QG 3.110 . 3.110 2.232 2.102 2.471 . 0 0 "[ . 1 . 2]" 1
1575 1 107 VAL H 1 107 VAL QG 3.060 . 3.060 2.214 1.862 2.668 . 0 0 "[ . 1 . 2]" 1
1576 1 107 VAL HA 1 107 VAL QG 2.510 . 2.510 2.190 2.155 2.248 . 0 0 "[ . 1 . 2]" 1
1577 2 2 GLY QA 2 3 GLY H 2.620 . 2.620 2.263 1.911 2.685 0.065 5 0 "[ . 1 . 2]" 1
1578 2 3 GLY QA 2 4 THR H 3.030 . 3.030 2.570 2.261 2.887 . 0 0 "[ . 1 . 2]" 1
1579 2 3 GLY QA 2 4 THR MG 4.320 . 4.320 4.039 3.709 4.190 . 0 0 "[ . 1 . 2]" 1
1580 2 6 PHE H 2 9 LEU QD 4.960 . 4.960 3.638 3.430 3.885 . 0 0 "[ . 1 . 2]" 1
1581 2 6 PHE HA 2 9 LEU QD 4.430 . 4.430 1.956 1.779 2.099 . 0 0 "[ . 1 . 2]" 1
1582 2 6 PHE QB 2 9 LEU QD 4.190 . 4.190 3.288 3.102 3.495 . 0 0 "[ . 1 . 2]" 1
1583 2 7 GLU HA 2 10 TRP QB 4.540 . 4.540 3.718 2.780 4.307 . 0 0 "[ . 1 . 2]" 1
1584 2 7 GLU QB 2 8 HIS H 3.470 . 3.470 2.738 2.564 2.940 . 0 0 "[ . 1 . 2]" 1
1585 2 7 GLU QB 2 9 LEU H 4.880 . 4.880 4.836 4.682 4.957 0.077 17 0 "[ . 1 . 2]" 1
1586 2 7 GLU QG 2 8 HIS H 3.970 . 3.970 3.890 3.590 4.057 0.087 9 0 "[ . 1 . 2]" 1
1587 2 8 HIS H 2 9 LEU QD 4.040 . 4.040 3.915 3.145 4.156 0.116 19 0 "[ . 1 . 2]" 1
1588 2 9 LEU H 2 9 LEU QD 3.140 . 3.140 2.751 1.988 3.002 . 0 0 "[ . 1 . 2]" 1
1589 2 9 LEU HA 2 9 LEU QD 3.370 . 3.370 3.387 3.332 3.416 0.046 19 0 "[ . 1 . 2]" 1
1590 2 9 LEU HG 2 10 TRP QB 4.740 . 4.740 4.286 3.812 4.635 . 0 0 "[ . 1 . 2]" 1
1591 2 9 LEU QD 2 10 TRP H 3.850 . 3.850 2.086 1.815 2.390 . 0 0 "[ . 1 . 2]" 1
1592 2 9 LEU QD 2 12 SER H 4.850 . 4.850 4.719 4.593 4.863 0.013 16 0 "[ . 1 . 2]" 1
1593 2 10 TRP H 2 13 LEU QD 4.960 . 4.960 4.483 4.219 4.794 . 0 0 "[ . 1 . 2]" 1
1594 2 10 TRP HA 2 13 LEU QD 4.190 . 4.190 2.053 1.868 2.301 . 0 0 "[ . 1 . 2]" 1
1595 2 10 TRP QB 2 10 TRP HE1 4.510 . 4.510 4.387 4.340 4.440 . 0 0 "[ . 1 . 2]" 1
1596 2 10 TRP HE3 2 13 LEU QD 4.230 . 4.230 2.535 2.111 2.870 . 0 0 "[ . 1 . 2]" 1
1597 2 10 TRP HE1 2 13 LEU QD 4.960 . 4.960 4.701 4.137 5.041 0.081 1 0 "[ . 1 . 2]" 1
1598 2 12 SER H 2 13 LEU QD 4.520 . 4.520 4.212 3.955 4.388 . 0 0 "[ . 1 . 2]" 1
1599 2 13 LEU H 2 13 LEU QD 3.190 . 3.190 3.067 2.898 3.162 . 0 0 "[ . 1 . 2]" 1
1600 2 13 LEU H 2 14 GLU QB 4.880 . 4.880 4.179 3.903 4.643 . 0 0 "[ . 1 . 2]" 1
1601 2 13 LEU HA 2 13 LEU QD 3.440 . 3.440 3.391 3.367 3.410 . 0 0 "[ . 1 . 2]" 1
1602 2 13 LEU HB2 2 13 LEU QD 2.510 . 2.510 2.114 2.079 2.140 . 0 0 "[ . 1 . 2]" 1
1603 2 13 LEU QD 2 14 GLU H 3.370 . 3.370 3.332 2.966 3.491 0.121 14 0 "[ . 1 . 2]" 1
1604 2 13 LEU QD 2 14 GLU HA 4.650 . 4.650 3.077 2.775 3.435 . 0 0 "[ . 1 . 2]" 1
1605 2 13 LEU QD 2 14 GLU QG 4.940 . 4.940 4.431 2.263 4.897 . 0 0 "[ . 1 . 2]" 1
1606 2 14 GLU H 2 14 GLU QB 3.110 . 3.110 2.493 2.224 2.720 . 0 0 "[ . 1 . 2]" 1
1607 2 14 GLU HA 2 15 PRO QG 4.110 . 4.110 4.004 3.736 4.125 0.015 12 0 "[ . 1 . 2]" 1
1608 2 14 GLU QB 2 15 PRO HD2 3.280 . 3.280 2.150 1.921 2.447 . 0 0 "[ . 1 . 2]" 1
1609 2 14 GLU QB 2 15 PRO HD3 3.540 . 3.540 3.208 3.032 3.590 0.050 11 0 "[ . 1 . 2]" 1
1610 2 14 GLU QG 2 15 PRO QG 4.880 . 4.880 4.707 4.047 5.053 0.173 15 0 "[ . 1 . 2]" 1
1611 2 15 PRO QG 2 16 ASP H 3.380 . 3.380 2.352 2.057 3.153 . 0 0 "[ . 1 . 2]" 1
1612 2 15 PRO QG 2 16 ASP HA 4.880 . 4.880 4.821 4.604 4.917 0.037 8 0 "[ . 1 . 2]" 1
1613 2 16 ASP H 2 16 ASP QB 3.040 . 3.040 2.828 2.598 3.065 0.025 15 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 56
_Distance_constraint_stats_list.Viol_count 150
_Distance_constraint_stats_list.Viol_total 245.955
_Distance_constraint_stats_list.Viol_max 0.297
_Distance_constraint_stats_list.Viol_rms 0.0421
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0110
_Distance_constraint_stats_list.Viol_average_violations_only 0.0820
_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 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 2.010 0.149 12 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.506 0.085 9 0 "[ . 1 . 2]"
1 35 LEU 2.010 0.149 12 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.506 0.085 9 0 "[ . 1 . 2]"
1 47 THR 0.051 0.040 19 0 "[ . 1 . 2]"
1 48 MET 0.242 0.073 5 0 "[ . 1 . 2]"
1 49 LYS 0.070 0.052 15 0 "[ . 1 . 2]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.051 0.040 19 0 "[ . 1 . 2]"
1 52 LEU 0.431 0.073 5 0 "[ . 1 . 2]"
1 53 PHE 0.418 0.075 19 0 "[ . 1 . 2]"
1 54 TYR 0.034 0.013 5 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.189 0.037 9 0 "[ . 1 . 2]"
1 57 GLN 0.348 0.075 19 0 "[ . 1 . 2]"
1 58 TYR 0.034 0.013 5 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.998 0.137 9 0 "[ . 1 . 2]"
1 81 GLY 1.904 0.144 20 0 "[ . 1 . 2]"
1 82 ASP 5.904 0.297 7 0 "[ . 1 . 2]"
1 84 PHE 0.998 0.137 9 0 "[ . 1 . 2]"
1 85 GLY 1.904 0.144 20 0 "[ . 1 . 2]"
1 86 VAL 5.904 0.297 7 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 HIS 0.032 0.032 16 0 "[ . 1 . 2]"
1 95 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 0.005 0.005 14 0 "[ . 1 . 2]"
1 97 ILE 0.005 0.004 17 0 "[ . 1 . 2]"
1 98 TYR 0.032 0.032 16 0 "[ . 1 . 2]"
1 99 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 MET 0.005 0.005 14 0 "[ . 1 . 2]"
1 101 ILE 0.005 0.004 17 0 "[ . 1 . 2]"
1 102 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 29 LYS O 1 33 LEU H 2.400 . 2.400 1.910 1.771 2.046 . 0 0 "[ . 1 . 2]" 2
2 1 29 LYS O 1 33 LEU N 3.400 . 3.400 2.879 2.700 3.002 . 0 0 "[ . 1 . 2]" 2
3 1 30 PRO O 1 34 LYS H 2.400 . 2.400 1.903 1.759 2.047 . 0 0 "[ . 1 . 2]" 2
4 1 30 PRO O 1 34 LYS N 3.400 . 3.400 2.798 2.675 2.899 . 0 0 "[ . 1 . 2]" 2
5 1 31 LEU O 1 35 LEU H 2.400 . 2.400 2.499 2.431 2.549 0.149 12 0 "[ . 1 . 2]" 2
6 1 31 LEU O 1 35 LEU N 3.400 . 3.400 3.350 3.238 3.414 0.014 9 0 "[ . 1 . 2]" 2
7 1 32 LEU O 1 36 LEU H 2.400 . 2.400 1.828 1.717 1.902 . 0 0 "[ . 1 . 2]" 2
8 1 32 LEU O 1 36 LEU N 3.400 . 3.400 2.788 2.690 2.864 . 0 0 "[ . 1 . 2]" 2
9 1 33 LEU O 1 37 LYS H 2.400 . 2.400 1.942 1.771 2.102 . 0 0 "[ . 1 . 2]" 2
10 1 33 LEU O 1 37 LYS N 3.400 . 3.400 2.898 2.711 3.069 . 0 0 "[ . 1 . 2]" 2
11 1 34 LYS O 1 38 SER H 2.400 . 2.400 2.411 2.305 2.485 0.085 9 0 "[ . 1 . 2]" 2
12 1 34 LYS O 1 38 SER N 3.400 . 3.400 3.196 2.993 3.276 . 0 0 "[ . 1 . 2]" 2
13 1 47 THR O 1 51 VAL H 2.400 . 2.400 2.194 1.975 2.440 0.040 19 0 "[ . 1 . 2]" 2
14 1 47 THR O 1 51 VAL N 3.400 . 3.400 3.049 2.844 3.324 . 0 0 "[ . 1 . 2]" 2
15 1 48 MET O 1 52 LEU H 2.400 . 2.400 2.207 1.885 2.473 0.073 5 0 "[ . 1 . 2]" 2
16 1 48 MET O 1 52 LEU N 3.400 . 3.400 3.152 2.819 3.414 0.014 5 0 "[ . 1 . 2]" 2
17 1 49 LYS O 1 53 PHE H 2.400 . 2.400 2.190 1.940 2.452 0.052 15 0 "[ . 1 . 2]" 2
18 1 49 LYS O 1 53 PHE N 3.400 . 3.400 3.069 2.823 3.325 . 0 0 "[ . 1 . 2]" 2
19 1 50 GLU O 1 54 TYR H 2.400 . 2.400 1.892 1.738 2.180 . 0 0 "[ . 1 . 2]" 2
20 1 50 GLU O 1 54 TYR N 3.400 . 3.400 2.871 2.715 3.159 . 0 0 "[ . 1 . 2]" 2
21 1 51 VAL O 1 55 LEU H 2.400 . 2.400 1.700 1.621 1.756 . 0 0 "[ . 1 . 2]" 2
22 1 51 VAL O 1 55 LEU N 3.400 . 3.400 2.619 2.565 2.673 . 0 0 "[ . 1 . 2]" 2
23 1 52 LEU O 1 56 GLY H 2.400 . 2.400 2.330 1.838 2.437 0.037 9 0 "[ . 1 . 2]" 2
24 1 52 LEU O 1 56 GLY N 3.400 . 3.400 3.119 2.763 3.263 . 0 0 "[ . 1 . 2]" 2
25 1 53 PHE O 1 57 GLN H 2.400 . 2.400 2.381 2.193 2.475 0.075 19 0 "[ . 1 . 2]" 2
26 1 53 PHE O 1 57 GLN N 3.400 . 3.400 3.210 2.998 3.343 . 0 0 "[ . 1 . 2]" 2
27 1 54 TYR O 1 58 TYR H 2.400 . 2.400 2.327 2.210 2.413 0.013 5 0 "[ . 1 . 2]" 2
28 1 54 TYR O 1 58 TYR N 3.400 . 3.400 3.260 3.164 3.346 . 0 0 "[ . 1 . 2]" 2
29 1 55 LEU O 1 59 ILE H 2.400 . 2.400 2.249 2.093 2.327 . 0 0 "[ . 1 . 2]" 2
30 1 55 LEU O 1 59 ILE N 3.400 . 3.400 3.151 3.006 3.230 . 0 0 "[ . 1 . 2]" 2
31 1 56 GLY O 1 60 MET H 2.400 . 2.400 2.060 1.899 2.300 . 0 0 "[ . 1 . 2]" 2
32 1 56 GLY O 1 60 MET N 3.400 . 3.400 2.978 2.823 3.214 . 0 0 "[ . 1 . 2]" 2
33 1 57 GLN O 1 61 THR H 2.400 . 2.400 1.768 1.672 1.865 . 0 0 "[ . 1 . 2]" 2
34 1 57 GLN O 1 61 THR N 3.400 . 3.400 2.719 2.649 2.833 . 0 0 "[ . 1 . 2]" 2
35 1 80 LEU O 1 84 PHE H 2.400 . 2.400 2.377 2.151 2.537 0.137 9 0 "[ . 1 . 2]" 2
36 1 80 LEU O 1 84 PHE N 3.400 . 3.400 3.265 3.057 3.437 0.037 9 0 "[ . 1 . 2]" 2
37 1 81 GLY O 1 85 GLY H 2.400 . 2.400 2.495 2.438 2.544 0.144 20 0 "[ . 1 . 2]" 2
38 1 81 GLY O 1 85 GLY N 3.400 . 3.400 3.238 3.113 3.381 . 0 0 "[ . 1 . 2]" 2
39 1 82 ASP O 1 86 VAL H 2.400 . 2.400 2.679 2.648 2.697 0.297 7 0 "[ . 1 . 2]" 2
40 1 82 ASP O 1 86 VAL N 3.400 . 3.400 3.414 3.361 3.450 0.050 14 0 "[ . 1 . 2]" 2
41 1 94 HIS O 1 98 TYR H 2.400 . 2.400 2.122 1.881 2.432 0.032 16 0 "[ . 1 . 2]" 2
42 1 94 HIS O 1 98 TYR N 3.400 . 3.400 3.076 2.835 3.372 . 0 0 "[ . 1 . 2]" 2
43 1 95 ARG O 1 99 THR H 2.400 . 2.400 2.058 1.792 2.287 . 0 0 "[ . 1 . 2]" 2
44 1 95 ARG O 1 99 THR N 3.400 . 3.400 2.980 2.760 3.220 . 0 0 "[ . 1 . 2]" 2
45 1 96 LYS O 1 100 MET H 2.400 . 2.400 1.978 1.833 2.405 0.005 14 0 "[ . 1 . 2]" 2
46 1 96 LYS O 1 100 MET N 3.400 . 3.400 2.853 2.752 3.167 . 0 0 "[ . 1 . 2]" 2
47 1 97 ILE O 1 101 ILE H 2.400 . 2.400 2.306 2.220 2.404 0.004 17 0 "[ . 1 . 2]" 2
48 1 97 ILE O 1 101 ILE N 3.400 . 3.400 3.173 3.068 3.280 . 0 0 "[ . 1 . 2]" 2
49 1 98 TYR O 1 102 TYR H 2.400 . 2.400 1.806 1.744 1.887 . 0 0 "[ . 1 . 2]" 2
50 1 98 TYR O 1 102 TYR N 3.400 . 3.400 2.756 2.698 2.843 . 0 0 "[ . 1 . 2]" 2
51 1 99 THR O 1 103 ARG H 2.400 . 2.400 1.916 1.841 2.049 . 0 0 "[ . 1 . 2]" 2
52 1 99 THR O 1 103 ARG N 3.400 . 3.400 2.792 2.729 2.943 . 0 0 "[ . 1 . 2]" 2
53 1 73 VAL O 1 89 PHE H 2.400 . 2.400 1.752 1.638 1.926 . 0 0 "[ . 1 . 2]" 2
54 1 73 VAL O 1 89 PHE N 3.400 . 3.400 2.709 2.624 2.878 . 0 0 "[ . 1 . 2]" 2
55 1 73 VAL H 1 89 PHE O 2.400 . 2.400 1.890 1.812 2.004 . 0 0 "[ . 1 . 2]" 2
56 1 73 VAL N 1 89 PHE O 3.400 . 3.400 2.839 2.737 2.978 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 11:09:21 AM GMT (wattos1)