NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617540 |
5b7a   |
36000 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5b7a
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 2122
_Distance_constraint_stats_list.Viol_count 4622
_Distance_constraint_stats_list.Viol_total 6064.073
_Distance_constraint_stats_list.Viol_max 0.527
_Distance_constraint_stats_list.Viol_rms 0.0288
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0656
_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 15 MET 0.333 0.168 13 0 "[ . 1 . 2]"
1 16 SER 0.888 0.114 3 0 "[ . 1 . 2]"
1 17 ASP 1.349 0.297 5 0 "[ . 1 . 2]"
1 18 GLN 2.836 0.437 8 0 "[ . 1 . 2]"
1 19 GLU 5.134 0.490 20 0 "[ . 1 . 2]"
1 20 ALA 2.862 0.490 20 0 "[ . 1 . 2]"
1 21 LYS 3.483 0.227 8 0 "[ . 1 . 2]"
1 22 PRO 3.579 0.242 20 0 "[ . 1 . 2]"
1 23 SER 4.497 0.256 5 0 "[ . 1 . 2]"
1 24 THR 2.513 0.330 1 0 "[ . 1 . 2]"
1 25 GLU 3.277 0.428 9 0 "[ . 1 . 2]"
1 26 ASP 4.425 0.428 9 0 "[ . 1 . 2]"
1 27 LEU 5.604 0.393 4 0 "[ . 1 . 2]"
1 28 GLY 2.497 0.393 4 0 "[ . 1 . 2]"
1 29 ASP 2.925 0.527 14 1 "[ . 1 +. 2]"
1 30 LYS 3.151 0.527 14 1 "[ . 1 +. 2]"
1 31 LYS 8.213 0.471 15 0 "[ . 1 . 2]"
1 32 GLU 4.755 0.342 14 0 "[ . 1 . 2]"
1 33 GLY 1.056 0.471 15 0 "[ . 1 . 2]"
1 34 GLU 2.725 0.336 15 0 "[ . 1 . 2]"
1 35 TYR 7.711 0.281 4 0 "[ . 1 . 2]"
1 36 ILE 14.246 0.274 19 0 "[ . 1 . 2]"
1 37 LYS 7.227 0.307 17 0 "[ . 1 . 2]"
1 38 LEU 17.367 0.338 9 0 "[ . 1 . 2]"
1 39 LYS 6.702 0.203 11 0 "[ . 1 . 2]"
1 40 VAL 7.661 0.205 17 0 "[ . 1 . 2]"
1 41 ILE 8.973 0.216 9 0 "[ . 1 . 2]"
1 42 GLY 1.671 0.106 16 0 "[ . 1 . 2]"
1 43 GLN 5.097 0.239 1 0 "[ . 1 . 2]"
1 44 ASP 4.490 0.330 12 0 "[ . 1 . 2]"
1 45 SER 1.884 0.115 4 0 "[ . 1 . 2]"
1 46 SER 4.119 0.330 12 0 "[ . 1 . 2]"
1 47 GLU 2.555 0.329 9 0 "[ . 1 . 2]"
1 48 ILE 9.548 0.287 13 0 "[ . 1 . 2]"
1 49 HIS 5.706 0.205 17 0 "[ . 1 . 2]"
1 50 PHE 8.157 0.257 6 0 "[ . 1 . 2]"
1 52 VAL 3.467 0.257 6 0 "[ . 1 . 2]"
1 53 LYS 2.465 0.225 8 0 "[ . 1 . 2]"
1 54 MET 5.353 0.219 20 0 "[ . 1 . 2]"
1 55 THR 9.164 0.234 6 0 "[ . 1 . 2]"
1 56 THR 2.619 0.143 2 0 "[ . 1 . 2]"
1 57 HIS 3.276 0.116 20 0 "[ . 1 . 2]"
1 58 LEU 5.379 0.173 16 0 "[ . 1 . 2]"
1 59 LYS 8.178 0.203 19 0 "[ . 1 . 2]"
1 60 LYS 8.154 0.307 12 0 "[ . 1 . 2]"
1 61 LEU 12.096 0.307 12 0 "[ . 1 . 2]"
1 62 LYS 8.626 0.199 7 0 "[ . 1 . 2]"
1 63 GLU 7.474 0.247 20 0 "[ . 1 . 2]"
1 64 SER 3.947 0.245 6 0 "[ . 1 . 2]"
1 65 TYR 15.975 0.329 9 0 "[ . 1 . 2]"
1 66 CYS 5.351 0.267 19 0 "[ . 1 . 2]"
1 67 GLN 9.133 0.192 4 0 "[ . 1 . 2]"
1 68 ARG 5.278 0.262 15 0 "[ . 1 . 2]"
1 69 GLN 4.902 0.193 6 0 "[ . 1 . 2]"
1 70 GLY 3.519 0.146 14 0 "[ . 1 . 2]"
1 71 VAL 3.092 0.137 7 0 "[ . 1 . 2]"
1 72 PRO 1.588 0.154 13 0 "[ . 1 . 2]"
1 73 MET 10.269 0.267 19 0 "[ . 1 . 2]"
1 74 ASN 7.339 0.244 8 0 "[ . 1 . 2]"
1 75 SER 1.693 0.154 13 0 "[ . 1 . 2]"
1 76 LEU 17.566 0.211 2 0 "[ . 1 . 2]"
1 77 ARG 7.071 0.239 4 0 "[ . 1 . 2]"
1 78 PHE 1.641 0.149 20 0 "[ . 1 . 2]"
1 79 LEU 12.659 0.264 4 0 "[ . 1 . 2]"
1 80 PHE 13.813 0.225 15 0 "[ . 1 . 2]"
1 81 GLU 10.342 0.192 5 0 "[ . 1 . 2]"
1 82 GLY 1.943 0.192 5 0 "[ . 1 . 2]"
1 83 GLN 14.137 0.327 12 0 "[ . 1 . 2]"
1 84 ARG 7.565 0.327 12 0 "[ . 1 . 2]"
1 85 ILE 8.171 0.166 17 0 "[ . 1 . 2]"
1 86 ALA 0.025 0.025 3 0 "[ . 1 . 2]"
1 87 ASP 1.902 0.142 13 0 "[ . 1 . 2]"
1 88 ASN 12.297 0.323 18 0 "[ . 1 . 2]"
1 89 HIS 6.176 0.157 2 0 "[ . 1 . 2]"
1 90 THR 10.372 0.189 8 0 "[ . 1 . 2]"
1 91 PRO 4.698 0.212 2 0 "[ . 1 . 2]"
1 92 LYS 10.292 0.234 6 0 "[ . 1 . 2]"
1 93 GLU 6.602 0.145 13 0 "[ . 1 . 2]"
1 94 LEU 13.133 0.210 5 0 "[ . 1 . 2]"
1 95 GLY 0.865 0.076 4 0 "[ . 1 . 2]"
1 96 MET 8.787 0.290 20 0 "[ . 1 . 2]"
1 97 GLU 3.223 0.245 11 0 "[ . 1 . 2]"
1 98 GLU 5.173 0.245 11 0 "[ . 1 . 2]"
1 99 GLU 1.548 0.477 5 0 "[ . 1 . 2]"
1 100 ASP 14.795 0.477 5 0 "[ . 1 . 2]"
1 101 VAL 1.209 0.143 3 0 "[ . 1 . 2]"
1 102 ILE 7.902 0.230 5 0 "[ . 1 . 2]"
1 103 GLU 5.019 0.230 5 0 "[ . 1 . 2]"
1 104 VAL 9.301 0.197 2 0 "[ . 1 . 2]"
1 105 TYR 7.329 0.203 4 0 "[ . 1 . 2]"
1 106 GLN 5.214 0.172 5 0 "[ . 1 . 2]"
1 107 GLU 6.388 0.268 9 0 "[ . 1 . 2]"
1 108 GLN 4.035 0.268 9 0 "[ . 1 . 2]"
1 109 THR 1.445 0.267 12 0 "[ . 1 . 2]"
1 110 GLY 0.394 0.168 18 0 "[ . 1 . 2]"
1 111 GLY 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 42 GLY H 1 104 VAL MG2 4.500 . 4.500 4.311 4.172 4.498 . 0 0 "[ . 1 . 2]" 1
2 1 104 VAL HA 1 104 VAL MG1 3.360 . 3.360 2.394 2.374 2.415 . 0 0 "[ . 1 . 2]" 1
3 1 104 VAL MG1 1 106 GLN HA 4.210 . 4.210 4.172 4.090 4.267 0.057 12 0 "[ . 1 . 2]" 1
4 1 61 LEU MD2 1 78 PHE QD 4.870 . 4.870 3.889 3.677 4.355 . 0 0 "[ . 1 . 2]" 1
5 1 61 LEU HA 1 61 LEU MD2 4.200 . 4.200 4.084 4.055 4.106 . 0 0 "[ . 1 . 2]" 1
6 1 50 PHE HE2 1 61 LEU HG 5.590 . 5.590 5.133 5.062 5.191 . 0 0 "[ . 1 . 2]" 1
7 1 61 LEU HG 1 78 PHE QD 5.980 . 5.980 4.891 4.675 5.133 . 0 0 "[ . 1 . 2]" 1
8 1 40 VAL MG2 1 41 ILE HA 3.970 . 3.970 3.568 3.491 3.621 . 0 0 "[ . 1 . 2]" 1
9 1 85 ILE HA 1 94 LEU MD1 5.050 . 5.050 4.585 4.326 4.769 . 0 0 "[ . 1 . 2]" 1
10 1 94 LEU HA 1 94 LEU MD1 4.130 . 4.130 3.868 3.844 3.897 . 0 0 "[ . 1 . 2]" 1
11 1 94 LEU QB 1 94 LEU MD1 3.200 . 3.200 2.050 2.035 2.069 . 0 0 "[ . 1 . 2]" 1
12 1 79 LEU MD2 1 105 TYR QE 4.790 . 4.790 4.770 4.642 4.865 0.075 3 0 "[ . 1 . 2]" 1
13 1 80 PHE QE 1 102 ILE MD 4.150 . 4.150 3.765 3.631 3.898 . 0 0 "[ . 1 . 2]" 1
14 1 102 ILE HA 1 102 ILE MD 3.820 . 3.820 2.174 2.142 2.227 . 0 0 "[ . 1 . 2]" 1
15 1 73 MET H 1 76 LEU QD 4.140 . 4.140 3.988 3.919 4.031 . 0 0 "[ . 1 . 2]" 1
16 1 76 LEU HA 1 76 LEU QD 3.120 . 3.120 3.088 3.034 3.105 . 0 0 "[ . 1 . 2]" 1
17 1 76 LEU QD 1 104 VAL HA 4.850 . 4.850 4.567 4.506 4.691 . 0 0 "[ . 1 . 2]" 1
18 1 72 PRO QB 1 76 LEU QD 3.910 . 3.910 3.637 3.410 3.833 . 0 0 "[ . 1 . 2]" 1
19 1 79 LEU H 1 79 LEU MD1 4.300 . 4.300 4.077 4.032 4.136 . 0 0 "[ . 1 . 2]" 1
20 1 79 LEU HA 1 79 LEU MD1 4.020 . 4.020 3.879 3.855 3.907 . 0 0 "[ . 1 . 2]" 1
21 1 79 LEU MD1 1 105 TYR HB2 3.760 . 3.760 3.058 2.912 3.146 . 0 0 "[ . 1 . 2]" 1
22 1 79 LEU HB2 1 79 LEU MD1 3.150 . 3.150 2.365 2.335 2.400 . 0 0 "[ . 1 . 2]" 1
23 1 85 ILE H 1 85 ILE MD 4.350 . 4.350 2.370 2.288 2.471 . 0 0 "[ . 1 . 2]" 1
24 1 85 ILE HA 1 85 ILE MD 4.260 . 4.260 3.091 3.023 3.180 . 0 0 "[ . 1 . 2]" 1
25 1 48 ILE MD 1 65 TYR QD 4.120 . 4.120 3.901 3.611 4.324 0.204 20 0 "[ . 1 . 2]" 1
26 1 48 ILE MD 1 68 ARG QD 3.810 . 3.810 3.361 1.924 3.893 0.083 20 0 "[ . 1 . 2]" 1
27 1 38 LEU QD 1 50 PHE H 4.240 . 4.240 4.287 4.159 4.485 0.245 4 0 "[ . 1 . 2]" 1
28 1 37 LYS H 1 38 LEU QD 4.410 . 4.410 3.931 3.651 4.555 0.145 4 0 "[ . 1 . 2]" 1
29 1 38 LEU QD 1 39 LYS H 4.620 . 4.620 3.620 3.530 3.687 . 0 0 "[ . 1 . 2]" 1
30 1 38 LEU HB3 1 38 LEU QD 2.910 . 2.910 2.111 2.050 2.136 . 0 0 "[ . 1 . 2]" 1
31 1 86 ALA MB 1 87 ASP H 3.840 . 3.840 3.644 3.636 3.651 . 0 0 "[ . 1 . 2]" 1
32 1 69 GLN HE22 1 71 VAL MG2 5.440 . 5.440 5.098 4.978 5.242 . 0 0 "[ . 1 . 2]" 1
33 1 85 ILE MG 1 89 HIS HA 4.330 . 4.330 4.337 4.212 4.420 0.090 16 0 "[ . 1 . 2]" 1
34 1 62 LYS QE 1 85 ILE MG 3.720 . 3.720 2.339 2.168 2.512 . 0 0 "[ . 1 . 2]" 1
35 1 78 PHE HB3 1 85 ILE MG 4.280 . 4.280 3.632 3.352 3.941 . 0 0 "[ . 1 . 2]" 1
36 1 61 LEU MD2 1 85 ILE MG 4.280 . 4.280 3.709 3.506 3.912 . 0 0 "[ . 1 . 2]" 1
37 1 36 ILE MG 1 37 LYS H 3.830 . 3.830 3.536 3.358 3.702 . 0 0 "[ . 1 . 2]" 1
38 1 41 ILE H 1 41 ILE MD 3.850 . 3.850 3.706 3.625 3.797 . 0 0 "[ . 1 . 2]" 1
39 1 40 VAL HA 1 41 ILE MD 4.350 . 4.350 4.490 4.415 4.531 0.181 13 0 "[ . 1 . 2]" 1
40 1 39 LYS QE 1 41 ILE MD 4.040 . 4.040 2.725 2.117 3.788 . 0 0 "[ . 1 . 2]" 1
41 1 80 PHE QD 1 102 ILE QG 4.630 . 4.630 4.522 4.367 4.653 0.023 1 0 "[ . 1 . 2]" 1
42 1 80 PHE HA 1 102 ILE QG 5.120 . 5.120 4.885 4.675 5.028 . 0 0 "[ . 1 . 2]" 1
43 1 38 LEU HB2 1 40 VAL MG1 4.390 . 4.390 3.858 3.691 3.978 . 0 0 "[ . 1 . 2]" 1
44 1 52 VAL MG1 1 60 LYS QG 4.630 . 4.630 3.339 2.775 3.930 . 0 0 "[ . 1 . 2]" 1
45 1 76 LEU H 1 76 LEU HG 3.780 . 3.780 3.921 3.880 3.991 0.211 2 0 "[ . 1 . 2]" 1
46 1 43 GLN HE22 1 76 LEU HG 3.580 . 3.580 2.362 1.835 2.610 . 0 0 "[ . 1 . 2]" 1
47 1 102 ILE HA 1 102 ILE MG 3.380 . 3.380 2.347 2.321 2.366 . 0 0 "[ . 1 . 2]" 1
48 1 41 ILE MG 1 45 SER HA 3.580 . 3.580 3.300 3.072 3.503 . 0 0 "[ . 1 . 2]" 1
49 1 39 LYS QD 1 101 VAL QG 3.690 . 3.690 2.298 2.067 2.496 . 0 0 "[ . 1 . 2]" 1
50 1 39 LYS QE 1 101 VAL QG 3.480 . 3.480 2.734 2.168 3.514 0.034 13 0 "[ . 1 . 2]" 1
51 1 55 THR MG 1 92 LYS HA 4.620 . 4.620 4.586 4.450 4.674 0.054 15 0 "[ . 1 . 2]" 1
52 1 55 THR MG 1 91 PRO QG 4.170 . 4.170 4.095 3.901 4.265 0.095 18 0 "[ . 1 . 2]" 1
53 1 48 ILE QG 1 65 TYR QD 4.550 . 4.550 4.489 3.985 4.738 0.188 9 0 "[ . 1 . 2]" 1
54 1 76 LEU HG 1 104 VAL HB 4.200 . 4.200 4.171 4.028 4.225 0.025 7 0 "[ . 1 . 2]" 1
55 1 79 LEU HB3 1 80 PHE HA 4.880 . 4.880 4.722 4.628 4.901 0.021 4 0 "[ . 1 . 2]" 1
56 1 20 ALA MB 1 21 LYS H 3.960 . 3.960 2.990 1.995 3.691 . 0 0 "[ . 1 . 2]" 1
57 1 92 LYS QG 1 93 GLU HA 4.300 . 4.300 3.522 3.235 4.111 . 0 0 "[ . 1 . 2]" 1
58 1 92 LYS HA 1 92 LYS QD 4.530 . 4.530 4.098 3.736 4.268 . 0 0 "[ . 1 . 2]" 1
59 1 92 LYS QD 1 93 GLU HA 4.780 . 4.780 3.891 2.645 4.570 . 0 0 "[ . 1 . 2]" 1
60 1 27 LEU HB2 1 28 GLY H 4.150 . 4.150 3.121 1.966 4.217 0.067 7 0 "[ . 1 . 2]" 1
61 1 36 ILE HB 1 98 GLU HA 4.080 . 4.080 2.391 2.127 2.558 . 0 0 "[ . 1 . 2]" 1
62 1 66 CYS HA 1 69 GLN QB 3.900 . 3.900 3.746 3.645 3.818 . 0 0 "[ . 1 . 2]" 1
63 1 37 LYS HB2 1 37 LYS QE 4.630 . 4.630 3.861 2.156 4.196 . 0 0 "[ . 1 . 2]" 1
64 1 62 LYS QB 1 63 GLU HA 4.340 . 4.340 3.759 3.671 3.921 . 0 0 "[ . 1 . 2]" 1
65 1 41 ILE MG 1 47 GLU HB3 4.100 . 4.100 2.669 2.229 2.930 . 0 0 "[ . 1 . 2]" 1
66 1 53 LYS QB 1 55 THR HA 4.800 . 4.800 4.633 4.438 4.845 0.045 12 0 "[ . 1 . 2]" 1
67 1 41 ILE MD 1 47 GLU HB3 4.280 . 4.280 3.647 3.474 3.777 . 0 0 "[ . 1 . 2]" 1
68 1 34 GLU QB 1 35 TYR H 3.660 . 3.660 2.767 2.253 3.612 . 0 0 "[ . 1 . 2]" 1
69 1 54 MET ME 1 92 LYS H 3.890 . 3.890 3.567 2.849 3.866 . 0 0 "[ . 1 . 2]" 1
70 1 96 MET H 1 96 MET ME 4.560 . 4.560 4.482 4.375 4.576 0.016 2 0 "[ . 1 . 2]" 1
71 1 38 LEU QD 1 96 MET ME 3.210 . 3.210 1.805 1.757 1.936 0.043 20 0 "[ . 1 . 2]" 1
72 1 36 ILE MD 1 54 MET ME 3.950 . 3.950 3.126 2.773 3.633 . 0 0 "[ . 1 . 2]" 1
73 1 25 GLU QB 1 26 ASP H 3.410 . 3.410 2.565 1.769 3.464 0.054 6 0 "[ . 1 . 2]" 1
74 1 108 GLN H 1 108 GLN HB3 3.610 . 3.610 2.681 2.446 3.680 0.070 15 0 "[ . 1 . 2]" 1
75 1 63 GLU QB 1 64 SER H 3.900 . 3.900 2.247 2.157 2.316 . 0 0 "[ . 1 . 2]" 1
76 1 93 GLU HB3 1 94 LEU QB 4.910 . 4.910 4.595 4.442 4.694 . 0 0 "[ . 1 . 2]" 1
77 1 102 ILE MG 1 103 GLU QB 4.120 . 4.120 4.018 3.947 4.091 . 0 0 "[ . 1 . 2]" 1
78 1 32 GLU QB 1 33 GLY H 3.810 . 3.810 3.060 1.786 3.885 0.075 2 0 "[ . 1 . 2]" 1
79 1 107 GLU H 1 107 GLU QG 4.350 . 4.350 4.266 4.090 4.417 0.067 9 0 "[ . 1 . 2]" 1
80 1 71 VAL MG1 1 73 MET ME 4.550 . 4.550 4.140 4.054 4.478 . 0 0 "[ . 1 . 2]" 1
81 1 106 GLN HB3 1 107 GLU H 4.680 . 4.680 4.208 4.020 4.440 . 0 0 "[ . 1 . 2]" 1
82 1 37 LYS QD 1 98 GLU HB2 4.770 . 4.770 4.065 2.364 4.859 0.089 7 0 "[ . 1 . 2]" 1
83 1 76 LEU HB3 1 106 GLN HB3 4.490 . 4.490 4.393 4.115 4.600 0.110 10 0 "[ . 1 . 2]" 1
84 1 25 GLU H 1 25 GLU QG 3.720 . 3.720 2.490 1.767 3.888 0.168 9 0 "[ . 1 . 2]" 1
85 1 19 GLU QG 1 20 ALA MB 4.470 . 4.470 3.897 2.757 4.846 0.376 11 0 "[ . 1 . 2]" 1
86 1 63 GLU H 1 63 GLU HG3 4.070 . 4.070 1.968 1.848 2.161 . 0 0 "[ . 1 . 2]" 1
87 1 59 LYS QE 1 63 GLU HG3 4.460 . 4.460 4.213 4.082 4.473 0.013 17 0 "[ . 1 . 2]" 1
88 1 64 SER H 1 67 GLN QB 4.740 . 4.740 4.668 4.497 4.814 0.074 16 0 "[ . 1 . 2]" 1
89 1 25 GLU HA 1 25 GLU QG 3.880 . 3.880 3.105 2.411 3.520 . 0 0 "[ . 1 . 2]" 1
90 1 103 GLU HA 1 103 GLU HG2 4.210 . 4.210 2.641 2.474 2.786 . 0 0 "[ . 1 . 2]" 1
91 1 102 ILE MG 1 103 GLU HG2 4.630 . 4.630 4.790 4.702 4.860 0.230 5 0 "[ . 1 . 2]" 1
92 1 108 GLN H 1 108 GLN QG 4.000 . 4.000 2.983 1.912 4.104 0.104 15 0 "[ . 1 . 2]" 1
93 1 43 GLN QG 1 106 GLN H 4.320 . 4.320 3.426 2.775 4.305 . 0 0 "[ . 1 . 2]" 1
94 1 106 GLN H 1 106 GLN QG 4.650 . 4.650 3.961 3.905 4.034 . 0 0 "[ . 1 . 2]" 1
95 1 43 GLN QG 1 44 ASP HA 3.810 . 3.810 3.431 3.171 3.620 . 0 0 "[ . 1 . 2]" 1
96 1 67 GLN HA 1 67 GLN HG3 4.120 . 4.120 3.748 3.705 3.790 . 0 0 "[ . 1 . 2]" 1
97 1 67 GLN H 1 67 GLN HG2 4.080 . 4.080 2.381 2.184 2.585 . 0 0 "[ . 1 . 2]" 1
98 1 26 ASP QB 1 27 LEU H 3.750 . 3.750 2.720 1.776 3.836 0.086 10 0 "[ . 1 . 2]" 1
99 1 17 ASP QB 1 18 GLN H 3.800 . 3.800 3.235 1.865 3.902 0.102 19 0 "[ . 1 . 2]" 1
100 1 27 LEU HG 1 29 ASP QB 5.920 . 5.920 4.875 2.471 6.072 0.152 15 0 "[ . 1 . 2]" 1
101 1 65 TYR HB3 1 73 MET QG 3.640 . 3.640 2.649 2.487 2.918 . 0 0 "[ . 1 . 2]" 1
102 1 80 PHE HB3 1 83 GLN HB3 4.130 . 4.130 3.234 3.043 3.447 . 0 0 "[ . 1 . 2]" 1
103 1 37 LYS QE 1 99 GLU QB 3.810 . 3.810 2.806 1.946 3.812 0.002 5 0 "[ . 1 . 2]" 1
104 1 37 LYS QE 1 98 GLU HB2 4.140 . 4.140 3.509 2.438 4.241 0.101 9 0 "[ . 1 . 2]" 1
105 1 39 LYS HB2 1 39 LYS QE 3.170 . 3.170 3.090 2.771 3.320 0.150 16 0 "[ . 1 . 2]" 1
106 1 59 LYS QE 1 59 LYS HG3 2.970 . 2.970 2.416 2.340 2.866 . 0 0 "[ . 1 . 2]" 1
107 1 78 PHE HB2 1 85 ILE MG 4.320 . 4.320 3.184 2.841 3.493 . 0 0 "[ . 1 . 2]" 1
108 1 60 LYS QE 1 64 SER QB 4.910 . 4.910 4.555 3.718 5.155 0.245 6 0 "[ . 1 . 2]" 1
109 1 96 MET ME 1 100 ASP HB2 4.840 . 4.840 4.225 4.001 4.678 . 0 0 "[ . 1 . 2]" 1
110 1 77 ARG H 1 77 ARG QD 4.260 . 4.260 1.964 1.848 2.267 . 0 0 "[ . 1 . 2]" 1
111 1 77 ARG QD 1 79 LEU MD1 4.150 . 4.150 4.037 3.738 4.202 0.052 13 0 "[ . 1 . 2]" 1
112 1 59 LYS HA 1 59 LYS QD 3.790 . 3.790 3.359 3.266 3.717 . 0 0 "[ . 1 . 2]" 1
113 1 38 LEU HA 1 99 GLU HA 4.190 . 4.190 2.856 2.504 3.162 . 0 0 "[ . 1 . 2]" 1
114 1 61 LEU HA 1 64 SER QB 3.480 . 3.480 2.421 2.195 2.920 . 0 0 "[ . 1 . 2]" 1
115 1 98 GLU HB2 1 99 GLU HA 4.740 . 4.740 4.499 4.350 4.690 . 0 0 "[ . 1 . 2]" 1
116 1 60 LYS QG 1 61 LEU HA 4.060 . 4.060 4.092 3.812 4.294 0.234 15 0 "[ . 1 . 2]" 1
117 1 46 SER H 1 46 SER HB3 4.160 . 4.160 3.293 2.475 3.705 . 0 0 "[ . 1 . 2]" 1
118 1 59 LYS HB2 1 87 ASP HA 3.880 . 3.880 2.762 2.389 3.276 . 0 0 "[ . 1 . 2]" 1
119 1 58 LEU QB 1 91 PRO QD 4.880 . 4.880 4.601 4.459 4.807 . 0 0 "[ . 1 . 2]" 1
120 1 66 CYS HA 1 70 GLY H 4.350 . 4.350 3.377 3.092 3.591 . 0 0 "[ . 1 . 2]" 1
121 1 93 GLU HA 1 93 GLU HB2 2.900 . 2.900 2.488 2.453 2.560 . 0 0 "[ . 1 . 2]" 1
122 1 58 LEU HA 1 58 LEU HG 3.290 . 3.290 3.238 3.211 3.278 . 0 0 "[ . 1 . 2]" 1
123 1 92 LYS HA 1 92 LYS QG 3.420 . 3.420 3.364 3.332 3.425 0.005 13 0 "[ . 1 . 2]" 1
124 1 65 TYR HA 1 68 ARG QB 3.960 . 3.960 3.038 2.812 3.258 . 0 0 "[ . 1 . 2]" 1
125 1 60 LYS QD 1 64 SER QB 4.210 . 4.210 3.875 3.381 4.254 0.044 3 0 "[ . 1 . 2]" 1
126 1 43 GLN HA 1 43 GLN QG 3.610 . 3.610 3.463 3.418 3.518 . 0 0 "[ . 1 . 2]" 1
127 1 75 SER HB2 1 76 LEU H 3.880 . 3.880 2.974 2.773 3.231 . 0 0 "[ . 1 . 2]" 1
128 1 98 GLU HA 1 99 GLU H 3.330 . 3.330 2.328 2.183 2.428 . 0 0 "[ . 1 . 2]" 1
129 1 109 THR H 1 109 THR HB 3.860 . 3.860 3.241 2.765 3.635 . 0 0 "[ . 1 . 2]" 1
130 1 25 GLU HA 1 26 ASP H 3.020 . 3.020 2.536 2.064 3.448 0.428 9 0 "[ . 1 . 2]" 1
131 1 38 LEU QD 1 91 PRO HA 4.250 . 4.250 4.195 4.062 4.312 0.062 17 0 "[ . 1 . 2]" 1
132 1 39 LYS HB3 1 49 HIS HA 4.900 . 4.900 4.839 4.754 4.966 0.066 8 0 "[ . 1 . 2]" 1
133 1 79 LEU MD2 1 83 GLN H 4.710 . 4.710 4.592 4.468 4.732 0.022 4 0 "[ . 1 . 2]" 1
134 1 78 PHE HA 1 79 LEU MD2 4.530 . 4.530 4.218 4.141 4.308 . 0 0 "[ . 1 . 2]" 1
135 1 61 LEU MD1 1 78 PHE HE2 5.950 . 5.950 2.275 2.069 2.570 . 0 0 "[ . 1 . 2]" 1
136 1 48 ILE MG 1 65 TYR HE2 4.430 . 4.430 2.761 2.607 2.912 . 0 0 "[ . 1 . 2]" 1
137 1 79 LEU MD1 1 105 TYR H 4.490 . 4.490 4.166 4.078 4.410 . 0 0 "[ . 1 . 2]" 1
138 1 85 ILE MD 1 89 HIS HB2 4.630 . 4.630 4.214 3.985 4.344 . 0 0 "[ . 1 . 2]" 1
139 1 76 LEU HB3 1 106 GLN HE22 5.680 . 5.680 4.987 4.083 5.433 . 0 0 "[ . 1 . 2]" 1
140 1 76 LEU HB3 1 105 TYR HA 5.070 . 5.070 4.862 4.666 5.027 . 0 0 "[ . 1 . 2]" 1
141 1 58 LEU H 1 85 ILE MG 4.860 . 4.860 4.073 3.844 4.340 . 0 0 "[ . 1 . 2]" 1
142 1 79 LEU HA 1 85 ILE MG 5.350 . 5.350 5.352 5.220 5.410 0.060 9 0 "[ . 1 . 2]" 1
143 1 41 ILE MD 1 42 GLY H 5.260 . 5.260 5.036 4.950 5.111 . 0 0 "[ . 1 . 2]" 1
144 1 35 TYR HA 1 36 ILE HG13 4.430 . 4.430 4.153 3.281 4.476 0.046 6 0 "[ . 1 . 2]" 1
145 1 27 LEU MD1 1 29 ASP QB 4.970 . 4.970 3.045 1.904 4.485 . 0 0 "[ . 1 . 2]" 1
146 1 40 VAL H 1 102 ILE QG 5.250 . 5.250 5.239 5.160 5.269 0.019 6 0 "[ . 1 . 2]" 1
147 1 76 LEU HG 1 104 VAL HA 5.660 . 5.660 5.377 5.213 5.449 . 0 0 "[ . 1 . 2]" 1
148 1 102 ILE MG 1 104 VAL H 4.680 . 4.680 4.461 4.135 4.710 0.030 12 0 "[ . 1 . 2]" 1
149 1 55 THR MG 1 93 GLU H 5.220 . 5.220 5.124 4.727 5.249 0.029 20 0 "[ . 1 . 2]" 1
150 1 42 GLY H 1 104 VAL HB 5.040 . 5.040 4.037 3.868 4.143 . 0 0 "[ . 1 . 2]" 1
151 1 76 LEU QD 1 104 VAL HB 4.440 . 4.440 4.244 4.151 4.302 . 0 0 "[ . 1 . 2]" 1
152 1 36 ILE HG12 1 37 LYS H 5.760 . 5.760 4.985 4.765 5.215 . 0 0 "[ . 1 . 2]" 1
153 1 36 ILE HG12 1 54 MET H 6.000 . 6.000 4.670 3.982 6.009 0.009 20 0 "[ . 1 . 2]" 1
154 1 31 LYS QG 1 33 GLY H 6.000 . 6.000 4.420 2.082 6.471 0.471 15 0 "[ . 1 . 2]" 1
155 1 60 LYS QG 1 63 GLU H 6.000 . 6.000 5.436 4.923 5.795 . 0 0 "[ . 1 . 2]" 1
156 1 79 LEU HG 1 104 VAL HA 4.630 . 4.630 4.329 4.257 4.415 . 0 0 "[ . 1 . 2]" 1
157 1 59 LYS HB3 1 87 ASP QB 4.590 . 4.590 3.678 3.516 3.884 . 0 0 "[ . 1 . 2]" 1
158 1 76 LEU HB2 1 105 TYR HA 4.780 . 4.780 4.467 4.299 4.597 . 0 0 "[ . 1 . 2]" 1
159 1 39 LYS H 1 39 LYS QD 5.220 . 5.220 4.282 4.193 4.465 . 0 0 "[ . 1 . 2]" 1
160 1 39 LYS HB2 1 101 VAL HA 5.280 . 5.280 5.080 4.832 5.223 . 0 0 "[ . 1 . 2]" 1
161 1 77 ARG QB 1 105 TYR H 4.680 . 4.680 4.708 4.620 4.780 0.100 19 0 "[ . 1 . 2]" 1
162 1 55 THR MG 1 92 LYS HB3 4.590 . 4.590 2.446 2.270 2.634 . 0 0 "[ . 1 . 2]" 1
163 1 107 GLU HB3 1 108 GLN H 4.500 . 4.500 4.004 2.388 4.453 . 0 0 "[ . 1 . 2]" 1
164 1 60 LYS QD 1 61 LEU MD1 4.950 . 4.950 4.932 4.739 5.159 0.209 3 0 "[ . 1 . 2]" 1
165 1 79 LEU HA 1 84 ARG QB 5.340 . 5.340 4.846 4.295 5.266 . 0 0 "[ . 1 . 2]" 1
166 1 79 LEU MD1 1 84 ARG QB 4.920 . 4.920 4.462 3.750 4.948 0.028 15 0 "[ . 1 . 2]" 1
167 1 48 ILE HB 1 69 GLN QG 4.740 . 4.740 4.502 4.155 4.769 0.029 17 0 "[ . 1 . 2]" 1
168 1 54 MET ME 1 55 THR H 4.520 . 4.520 4.479 4.394 4.534 0.014 4 0 "[ . 1 . 2]" 1
169 1 19 GLU QB 1 20 ALA MB 4.950 . 4.950 4.356 3.547 4.991 0.041 20 0 "[ . 1 . 2]" 1
170 1 36 ILE HG12 1 98 GLU HB3 5.340 . 5.340 4.411 3.877 4.767 . 0 0 "[ . 1 . 2]" 1
171 1 24 THR MG 1 25 GLU QB 5.390 . 5.390 4.345 3.073 5.369 . 0 0 "[ . 1 . 2]" 1
172 1 48 ILE QG 1 68 ARG QB 6.000 . 6.000 3.995 3.777 4.242 . 0 0 "[ . 1 . 2]" 1
173 1 95 GLY H 1 96 MET QG 4.420 . 4.420 4.006 3.705 4.130 . 0 0 "[ . 1 . 2]" 1
174 1 83 GLN HB2 1 83 GLN HE21 4.450 . 4.450 3.574 3.342 4.139 . 0 0 "[ . 1 . 2]" 1
175 1 54 MET HA 1 91 PRO QB 4.500 . 4.500 3.960 3.270 4.361 . 0 0 "[ . 1 . 2]" 1
176 1 89 HIS HA 1 93 GLU HB2 5.380 . 5.380 5.106 4.941 5.384 0.004 8 0 "[ . 1 . 2]" 1
177 1 62 LYS H 1 63 GLU HG3 5.040 . 5.040 4.221 4.084 4.346 . 0 0 "[ . 1 . 2]" 1
178 1 40 VAL HB 1 48 ILE H 5.540 . 5.540 5.204 5.126 5.265 . 0 0 "[ . 1 . 2]" 1
179 1 105 TYR HB3 1 107 GLU HB2 4.960 . 4.960 4.446 3.873 4.957 . 0 0 "[ . 1 . 2]" 1
180 1 77 ARG QG 1 105 TYR HB3 5.120 . 5.120 4.392 4.021 4.574 . 0 0 "[ . 1 . 2]" 1
181 1 37 LYS QD 1 99 GLU QB 4.820 . 4.820 4.249 2.869 4.988 0.168 5 0 "[ . 1 . 2]" 1
182 1 64 SER H 1 67 GLN HG3 5.450 . 5.450 4.858 4.743 5.016 . 0 0 "[ . 1 . 2]" 1
183 1 43 GLN QG 1 104 VAL MG1 5.160 . 5.160 4.897 4.588 5.177 0.017 9 0 "[ . 1 . 2]" 1
184 1 62 LYS QD 1 78 PHE HB3 4.690 . 4.690 4.729 4.660 4.839 0.149 20 0 "[ . 1 . 2]" 1
185 1 25 GLU QB 1 26 ASP QB 4.480 . 4.480 4.283 3.529 4.742 0.262 8 0 "[ . 1 . 2]" 1
186 1 35 TYR HB3 1 36 ILE HG13 6.000 . 6.000 5.133 4.813 5.533 . 0 0 "[ . 1 . 2]" 1
187 1 92 LYS H 1 92 LYS QE 4.570 . 4.570 4.221 4.039 4.344 . 0 0 "[ . 1 . 2]" 1
188 1 52 VAL H 1 60 LYS QE 5.220 . 5.220 5.192 4.726 5.454 0.234 14 0 "[ . 1 . 2]" 1
189 1 77 ARG QD 1 105 TYR H 4.510 . 4.510 3.634 3.257 3.864 . 0 0 "[ . 1 . 2]" 1
190 1 43 GLN HE21 1 44 ASP HB2 5.000 . 5.000 3.575 2.099 4.937 . 0 0 "[ . 1 . 2]" 1
191 1 21 LYS QE 1 23 SER H 4.990 . 4.990 4.297 2.904 5.194 0.204 5 0 "[ . 1 . 2]" 1
192 1 62 LYS HA 1 78 PHE HE1 5.190 . 5.190 4.307 3.749 4.664 . 0 0 "[ . 1 . 2]" 1
193 1 62 LYS HA 1 78 PHE HE2 5.550 . 5.550 3.995 3.777 4.253 . 0 0 "[ . 1 . 2]" 1
194 1 62 LYS HA 1 78 PHE QD 5.230 . 5.230 5.010 4.796 5.238 0.008 20 0 "[ . 1 . 2]" 1
195 1 56 THR HA 1 57 HIS HB2 4.890 . 4.890 4.790 4.642 4.899 0.009 2 0 "[ . 1 . 2]" 1
196 1 65 TYR HB2 1 78 PHE HE2 5.600 . 5.600 3.867 3.590 4.201 . 0 0 "[ . 1 . 2]" 1
197 1 39 LYS H 1 99 GLU HA 5.160 . 5.160 4.589 4.235 4.892 . 0 0 "[ . 1 . 2]" 1
198 1 61 LEU HA 1 65 TYR HB2 4.960 . 4.960 4.877 4.695 4.989 0.029 17 0 "[ . 1 . 2]" 1
199 1 37 LYS QE 1 99 GLU HA 4.440 . 4.440 3.440 2.710 4.565 0.125 17 0 "[ . 1 . 2]" 1
200 1 35 TYR H 1 53 LYS HA 4.870 . 4.870 4.764 4.502 5.075 0.205 6 0 "[ . 1 . 2]" 1
201 1 55 THR H 1 91 PRO QD 5.310 . 5.310 5.160 4.895 5.351 0.041 20 0 "[ . 1 . 2]" 1
202 1 66 CYS HA 1 71 VAL HB 5.340 . 5.340 5.321 5.214 5.401 0.061 9 0 "[ . 1 . 2]" 1
203 1 53 LYS H 1 56 THR HB 4.440 . 4.440 3.242 2.985 3.474 . 0 0 "[ . 1 . 2]" 1
204 1 79 LEU HB3 1 82 GLY HA2 4.440 . 4.440 3.563 3.117 4.003 . 0 0 "[ . 1 . 2]" 1
205 1 79 LEU MD1 1 82 GLY HA2 4.760 . 4.760 3.673 3.222 4.189 . 0 0 "[ . 1 . 2]" 1
206 1 59 LYS HG3 1 62 LYS QG 5.340 . 5.340 5.381 4.474 5.509 0.169 2 0 "[ . 1 . 2]" 1
207 1 60 LYS H 1 61 LEU H 3.670 . 3.670 2.684 2.577 2.808 . 0 0 "[ . 1 . 2]" 1
208 1 58 LEU QD 1 61 LEU H 4.340 . 4.340 4.344 4.264 4.395 0.055 2 0 "[ . 1 . 2]" 1
209 1 55 THR H 1 56 THR HB 4.190 . 4.190 4.166 3.975 4.333 0.143 2 0 "[ . 1 . 2]" 1
210 1 54 MET HB3 1 55 THR H 3.990 . 3.990 2.608 2.437 2.763 . 0 0 "[ . 1 . 2]" 1
211 1 89 HIS H 1 89 HIS HB2 3.310 . 3.310 2.087 2.038 2.155 . 0 0 "[ . 1 . 2]" 1
212 1 89 HIS H 1 89 HIS HB3 3.560 . 3.560 3.146 3.036 3.257 . 0 0 "[ . 1 . 2]" 1
213 1 56 THR H 1 56 THR HB 3.520 . 3.520 3.457 3.422 3.496 . 0 0 "[ . 1 . 2]" 1
214 1 76 LEU H 1 107 GLU H 5.260 . 5.260 4.516 4.318 4.716 . 0 0 "[ . 1 . 2]" 1
215 1 73 MET ME 1 76 LEU H 4.590 . 4.590 4.397 4.320 4.535 . 0 0 "[ . 1 . 2]" 1
216 1 90 THR H 1 93 GLU HB2 3.820 . 3.820 3.498 3.163 3.741 . 0 0 "[ . 1 . 2]" 1
217 1 93 GLU HB2 1 94 LEU H 4.110 . 4.110 3.890 3.644 4.062 . 0 0 "[ . 1 . 2]" 1
218 1 94 LEU H 1 94 LEU MD2 3.770 . 3.770 3.693 3.632 3.794 0.024 16 0 "[ . 1 . 2]" 1
219 1 61 LEU H 1 62 LYS H 3.590 . 3.590 2.406 2.222 2.743 . 0 0 "[ . 1 . 2]" 1
220 1 62 LYS H 1 62 LYS QE 4.470 . 4.470 4.277 4.103 4.464 . 0 0 "[ . 1 . 2]" 1
221 1 61 LEU HB3 1 62 LYS H 4.200 . 4.200 3.915 3.848 3.972 . 0 0 "[ . 1 . 2]" 1
222 1 62 LYS H 1 62 LYS QG 3.910 . 3.910 3.558 3.478 3.616 . 0 0 "[ . 1 . 2]" 1
223 1 96 MET H 1 97 GLU H 4.600 . 4.600 4.480 4.428 4.550 . 0 0 "[ . 1 . 2]" 1
224 1 94 LEU MD1 1 96 MET H 4.310 . 4.310 4.449 4.374 4.520 0.210 5 0 "[ . 1 . 2]" 1
225 1 71 VAL H 1 71 VAL MG2 3.000 . 3.000 2.035 1.902 2.188 . 0 0 "[ . 1 . 2]" 1
226 1 87 ASP QB 1 88 ASN H 4.020 . 4.020 3.862 3.765 4.093 0.073 8 0 "[ . 1 . 2]" 1
227 1 103 GLU HA 1 104 VAL H 2.930 . 2.930 2.152 2.113 2.193 . 0 0 "[ . 1 . 2]" 1
228 1 48 ILE MD 1 69 GLN H 4.310 . 4.310 4.115 3.951 4.286 . 0 0 "[ . 1 . 2]" 1
229 1 75 SER H 1 76 LEU H 3.310 . 3.310 2.821 2.567 2.901 . 0 0 "[ . 1 . 2]" 1
230 1 75 SER H 1 75 SER HB3 3.660 . 3.660 3.580 3.547 3.618 . 0 0 "[ . 1 . 2]" 1
231 1 67 GLN HA 1 70 GLY H 4.060 . 4.060 4.023 3.955 4.085 0.025 19 0 "[ . 1 . 2]" 1
232 1 70 GLY H 1 70 GLY QA 2.800 . 2.800 2.194 2.183 2.206 . 0 0 "[ . 1 . 2]" 1
233 1 69 GLN QG 1 70 GLY H 5.090 . 5.090 4.803 4.784 4.819 . 0 0 "[ . 1 . 2]" 1
234 1 93 GLU H 1 94 LEU H 3.470 . 3.470 2.359 2.292 2.451 . 0 0 "[ . 1 . 2]" 1
235 1 80 PHE HB3 1 83 GLN H 4.420 . 4.420 3.592 3.511 3.645 . 0 0 "[ . 1 . 2]" 1
236 1 92 LYS QG 1 93 GLU H 3.430 . 3.430 2.034 1.842 2.212 . 0 0 "[ . 1 . 2]" 1
237 1 90 THR MG 1 93 GLU H 4.340 . 4.340 4.308 4.223 4.389 0.049 2 0 "[ . 1 . 2]" 1
238 1 64 SER H 1 64 SER QB 3.490 . 3.490 2.445 2.198 2.630 . 0 0 "[ . 1 . 2]" 1
239 1 44 ASP H 1 45 SER H 3.350 . 3.350 2.453 2.356 2.549 . 0 0 "[ . 1 . 2]" 1
240 1 42 GLY QA 1 45 SER H 4.440 . 4.440 4.114 3.982 4.285 . 0 0 "[ . 1 . 2]" 1
241 1 92 LYS H 1 94 LEU H 4.740 . 4.740 3.837 3.766 3.907 . 0 0 "[ . 1 . 2]" 1
242 1 91 PRO QB 1 92 LYS H 3.670 . 3.670 3.247 3.159 3.326 . 0 0 "[ . 1 . 2]" 1
243 1 99 GLU H 1 100 ASP H 3.460 . 3.460 2.656 2.117 2.831 . 0 0 "[ . 1 . 2]" 1
244 1 100 ASP H 1 100 ASP HB2 3.580 . 3.580 2.149 2.084 2.363 . 0 0 "[ . 1 . 2]" 1
245 1 80 PHE QE 1 101 VAL H 4.250 . 4.250 3.669 3.484 3.943 . 0 0 "[ . 1 . 2]" 1
246 1 23 SER HA 1 24 THR H 3.280 . 3.280 2.420 2.144 3.341 0.061 7 0 "[ . 1 . 2]" 1
247 1 24 THR H 1 24 THR MG 4.380 . 4.380 3.255 1.959 3.943 . 0 0 "[ . 1 . 2]" 1
248 1 66 CYS H 1 67 GLN H 3.580 . 3.580 2.639 2.560 2.739 . 0 0 "[ . 1 . 2]" 1
249 1 44 ASP H 1 44 ASP HB3 3.560 . 3.560 2.499 2.448 2.704 . 0 0 "[ . 1 . 2]" 1
250 1 30 LYS QB 1 31 LYS H 3.400 . 3.400 3.047 1.846 3.571 0.171 11 0 "[ . 1 . 2]" 1
251 1 35 TYR H 1 36 ILE HA 5.010 . 5.010 4.808 4.595 5.001 . 0 0 "[ . 1 . 2]" 1
252 1 26 ASP HA 1 27 LEU H 3.470 . 3.470 2.778 2.087 3.558 0.088 19 0 "[ . 1 . 2]" 1
253 1 27 LEU H 1 27 LEU MD2 4.750 . 4.750 3.381 1.805 4.419 . 0 0 "[ . 1 . 2]" 1
254 1 107 GLU H 1 107 GLU HB3 3.550 . 3.550 3.218 3.060 3.399 . 0 0 "[ . 1 . 2]" 1
255 1 76 LEU QD 1 107 GLU H 4.200 . 4.200 4.187 4.030 4.327 0.127 12 0 "[ . 1 . 2]" 1
256 1 41 ILE HA 1 42 GLY H 3.020 . 3.020 2.214 2.152 2.295 . 0 0 "[ . 1 . 2]" 1
257 1 62 LYS H 1 63 GLU H 3.880 . 3.880 2.768 2.691 2.832 . 0 0 "[ . 1 . 2]" 1
258 1 63 GLU H 1 63 GLU HG2 3.460 . 3.460 3.022 2.858 3.268 . 0 0 "[ . 1 . 2]" 1
259 1 31 LYS HA 1 32 GLU H 3.280 . 3.280 2.538 2.080 3.455 0.175 18 0 "[ . 1 . 2]" 1
260 1 104 VAL HA 1 105 TYR H 3.010 . 3.010 2.107 2.091 2.129 . 0 0 "[ . 1 . 2]" 1
261 1 22 PRO HA 1 23 SER H 3.300 . 3.300 3.067 2.508 3.542 0.242 20 0 "[ . 1 . 2]" 1
262 1 46 SER H 1 47 GLU H 4.550 . 4.550 4.458 4.245 4.514 . 0 0 "[ . 1 . 2]" 1
263 1 39 LYS H 1 102 ILE QG 3.960 . 3.960 3.997 3.789 4.077 0.117 14 0 "[ . 1 . 2]" 1
264 1 64 SER H 1 66 CYS H 4.600 . 4.600 4.473 4.376 4.596 . 0 0 "[ . 1 . 2]" 1
265 1 65 TYR HB2 1 66 CYS H 3.620 . 3.620 3.577 3.494 3.647 0.027 18 0 "[ . 1 . 2]" 1
266 1 40 VAL H 1 48 ILE H 3.800 . 3.800 2.604 2.480 2.767 . 0 0 "[ . 1 . 2]" 1
267 1 47 GLU HA 1 48 ILE H 2.980 . 2.980 2.341 2.197 2.392 . 0 0 "[ . 1 . 2]" 1
268 1 48 ILE H 1 48 ILE HB 3.360 . 3.360 3.243 3.049 3.317 . 0 0 "[ . 1 . 2]" 1
269 1 48 ILE H 1 48 ILE QG 4.250 . 4.250 4.149 4.112 4.212 . 0 0 "[ . 1 . 2]" 1
270 1 48 ILE MG 1 49 HIS H 3.960 . 3.960 3.713 3.601 3.779 . 0 0 "[ . 1 . 2]" 1
271 1 105 TYR HA 1 106 GLN H 2.820 . 2.820 2.191 2.156 2.227 . 0 0 "[ . 1 . 2]" 1
272 1 42 GLY QA 1 43 GLN H 3.230 . 3.230 2.251 2.231 2.276 . 0 0 "[ . 1 . 2]" 1
273 1 105 TYR HB2 1 106 GLN H 4.130 . 4.130 4.039 3.962 4.130 0.000 15 0 "[ . 1 . 2]" 1
274 1 43 GLN H 1 43 GLN QG 3.480 . 3.480 3.384 3.249 3.502 0.022 17 0 "[ . 1 . 2]" 1
275 1 43 GLN H 1 43 GLN HB2 3.620 . 3.620 3.561 3.521 3.608 . 0 0 "[ . 1 . 2]" 1
276 1 106 GLN H 1 106 GLN HB2 2.990 . 2.990 2.565 2.324 2.899 . 0 0 "[ . 1 . 2]" 1
277 1 76 LEU HB2 1 106 GLN H 4.560 . 4.560 4.430 4.159 4.591 0.031 2 0 "[ . 1 . 2]" 1
278 1 43 GLN H 1 104 VAL HB 4.400 . 4.400 3.341 3.179 3.585 . 0 0 "[ . 1 . 2]" 1
279 1 43 GLN H 1 76 LEU QD 4.800 . 4.800 4.713 4.418 4.921 0.121 16 0 "[ . 1 . 2]" 1
280 1 84 ARG H 1 85 ILE H 4.260 . 4.260 4.351 4.293 4.405 0.145 9 0 "[ . 1 . 2]" 1
281 1 84 ARG H 1 84 ARG QD 4.850 . 4.850 3.240 1.618 4.599 0.182 19 0 "[ . 1 . 2]" 1
282 1 84 ARG H 1 84 ARG QB 2.960 . 2.960 2.564 2.185 3.036 0.076 14 0 "[ . 1 . 2]" 1
283 1 65 TYR H 1 65 TYR QD 4.280 . 4.280 4.229 4.191 4.287 0.007 4 0 "[ . 1 . 2]" 1
284 1 65 TYR H 1 65 TYR HB2 3.590 . 3.590 2.442 2.381 2.538 . 0 0 "[ . 1 . 2]" 1
285 1 65 TYR H 1 65 TYR HB3 3.540 . 3.540 2.715 2.654 2.796 . 0 0 "[ . 1 . 2]" 1
286 1 102 ILE HA 1 103 GLU H 3.150 . 3.150 2.286 2.216 2.321 . 0 0 "[ . 1 . 2]" 1
287 1 103 GLU H 1 103 GLU QB 3.430 . 3.430 2.651 2.488 2.724 . 0 0 "[ . 1 . 2]" 1
288 1 82 GLY H 1 83 GLN H 3.810 . 3.810 2.288 2.174 2.374 . 0 0 "[ . 1 . 2]" 1
289 1 80 PHE HA 1 82 GLY H 4.430 . 4.430 3.983 3.901 4.071 . 0 0 "[ . 1 . 2]" 1
290 1 79 LEU HB2 1 82 GLY H 4.400 . 4.400 3.824 3.479 4.342 . 0 0 "[ . 1 . 2]" 1
291 1 81 GLU HG3 1 82 GLY H 4.080 . 4.080 4.154 4.047 4.272 0.192 5 0 "[ . 1 . 2]" 1
292 1 37 LYS H 1 38 LEU H 4.560 . 4.560 4.473 4.362 4.575 0.015 2 0 "[ . 1 . 2]" 1
293 1 80 PHE H 1 80 PHE QD 4.320 . 4.320 4.238 4.198 4.267 . 0 0 "[ . 1 . 2]" 1
294 1 79 LEU HA 1 80 PHE H 3.110 . 3.110 2.105 2.052 2.136 . 0 0 "[ . 1 . 2]" 1
295 1 77 ARG H 1 105 TYR HA 4.870 . 4.870 4.707 4.660 4.773 . 0 0 "[ . 1 . 2]" 1
296 1 80 PHE H 1 80 PHE HB3 3.940 . 3.940 2.468 2.410 2.528 . 0 0 "[ . 1 . 2]" 1
297 1 77 ARG H 1 105 TYR HB3 4.880 . 4.880 4.884 4.779 4.934 0.054 16 0 "[ . 1 . 2]" 1
298 1 76 LEU HB2 1 77 ARG H 3.380 . 3.380 2.272 2.103 2.432 . 0 0 "[ . 1 . 2]" 1
299 1 76 LEU QD 1 77 ARG H 3.470 . 3.470 3.471 3.298 3.579 0.109 15 0 "[ . 1 . 2]" 1
300 1 77 ARG H 1 105 TYR H 3.910 . 3.910 3.067 2.927 3.267 . 0 0 "[ . 1 . 2]" 1
301 1 76 LEU HA 1 77 ARG H 3.210 . 3.210 2.490 2.421 2.597 . 0 0 "[ . 1 . 2]" 1
302 1 84 ARG HA 1 85 ILE H 3.300 . 3.300 2.120 2.045 2.190 . 0 0 "[ . 1 . 2]" 1
303 1 85 ILE H 1 85 ILE HB 3.640 . 3.640 2.561 2.501 2.620 . 0 0 "[ . 1 . 2]" 1
304 1 40 VAL HA 1 41 ILE H 3.140 . 3.140 2.211 2.184 2.285 . 0 0 "[ . 1 . 2]" 1
305 1 40 VAL H 1 49 HIS HA 4.380 . 4.380 4.004 3.803 4.094 . 0 0 "[ . 1 . 2]" 1
306 1 49 HIS H 1 50 PHE H 4.760 . 4.760 4.419 4.361 4.462 . 0 0 "[ . 1 . 2]" 1
307 1 39 LYS HA 1 50 PHE H 4.190 . 4.190 3.706 3.540 3.864 . 0 0 "[ . 1 . 2]" 1
308 1 49 HIS HB3 1 50 PHE H 3.760 . 3.760 3.114 2.948 3.297 . 0 0 "[ . 1 . 2]" 1
309 1 37 LYS HB3 1 52 VAL H 5.430 . 5.430 5.186 4.678 5.456 0.026 16 0 "[ . 1 . 2]" 1
310 1 36 ILE H 1 38 LEU QD 4.520 . 4.520 4.094 3.876 4.592 0.072 4 0 "[ . 1 . 2]" 1
311 1 101 VAL HA 1 102 ILE H 3.220 . 3.220 2.118 2.063 2.225 . 0 0 "[ . 1 . 2]" 1
312 1 97 GLU H 1 97 GLU HB3 3.930 . 3.930 3.401 2.622 3.812 . 0 0 "[ . 1 . 2]" 1
313 1 38 LEU QD 1 97 GLU H 4.760 . 4.760 3.876 3.607 4.120 . 0 0 "[ . 1 . 2]" 1
314 1 58 LEU H 1 91 PRO QD 4.280 . 4.280 4.078 3.877 4.274 . 0 0 "[ . 1 . 2]" 1
315 1 58 LEU H 1 58 LEU HG 3.410 . 3.410 2.297 2.225 2.458 . 0 0 "[ . 1 . 2]" 1
316 1 37 LYS HB2 1 99 GLU H 5.050 . 5.050 4.540 4.073 4.928 . 0 0 "[ . 1 . 2]" 1
317 1 38 LEU QD 1 99 GLU H 4.480 . 4.480 3.857 3.364 4.017 . 0 0 "[ . 1 . 2]" 1
318 1 36 ILE MD 1 99 GLU H 4.780 . 4.780 4.219 3.909 4.369 . 0 0 "[ . 1 . 2]" 1
319 1 80 PHE HA 1 81 GLU H 3.270 . 3.270 2.145 2.132 2.157 . 0 0 "[ . 1 . 2]" 1
320 1 79 LEU H 1 103 GLU H 3.940 . 3.940 3.469 3.325 3.589 . 0 0 "[ . 1 . 2]" 1
321 1 78 PHE HA 1 79 LEU H 3.200 . 3.200 2.091 2.057 2.151 . 0 0 "[ . 1 . 2]" 1
322 1 79 LEU H 1 79 LEU HB2 3.610 . 3.610 2.735 2.681 2.818 . 0 0 "[ . 1 . 2]" 1
323 1 88 ASN HD22 1 89 HIS H 4.720 . 4.720 4.184 3.631 4.833 0.113 9 0 "[ . 1 . 2]" 1
324 1 69 GLN H 1 69 GLN HE22 4.580 . 4.580 2.981 2.834 3.061 . 0 0 "[ . 1 . 2]" 1
325 1 43 GLN HE22 1 106 GLN HB2 4.590 . 4.590 3.932 3.178 4.665 0.075 7 0 "[ . 1 . 2]" 1
326 1 67 GLN H 1 69 GLN HE21 5.220 . 5.220 5.225 5.102 5.282 0.062 19 0 "[ . 1 . 2]" 1
327 1 83 GLN HE21 1 84 ARG QB 5.180 . 5.180 5.179 4.629 5.507 0.327 12 0 "[ . 1 . 2]" 1
328 1 77 ARG HE 1 105 TYR HB2 4.780 . 4.780 2.250 1.747 3.682 0.053 9 0 "[ . 1 . 2]" 1
329 1 19 GLU H 1 19 GLU QG 4.120 . 4.120 3.578 1.944 4.153 0.033 8 0 "[ . 1 . 2]" 1
330 1 16 SER H 1 17 ASP H 4.540 . 4.540 3.611 1.686 4.603 0.114 3 0 "[ . 1 . 2]" 1
331 1 56 THR H 1 58 LEU QD 4.880 . 4.880 4.591 4.422 4.766 . 0 0 "[ . 1 . 2]" 1
332 1 76 LEU H 1 104 VAL MG1 5.210 . 5.210 4.516 4.445 4.576 . 0 0 "[ . 1 . 2]" 1
333 1 62 LYS H 1 65 TYR H 4.920 . 4.920 4.654 4.603 4.722 . 0 0 "[ . 1 . 2]" 1
334 1 94 LEU MD1 1 95 GLY H 4.950 . 4.950 4.804 4.749 4.851 . 0 0 "[ . 1 . 2]" 1
335 1 94 LEU MD2 1 95 GLY H 5.250 . 5.250 4.893 4.866 4.921 . 0 0 "[ . 1 . 2]" 1
336 1 70 GLY H 1 71 VAL HA 5.430 . 5.430 5.326 5.274 5.379 . 0 0 "[ . 1 . 2]" 1
337 1 61 LEU MD1 1 64 SER H 5.680 . 5.680 5.126 5.049 5.255 . 0 0 "[ . 1 . 2]" 1
338 1 58 LEU QD 1 92 LYS H 5.250 . 5.250 4.816 4.648 4.945 . 0 0 "[ . 1 . 2]" 1
339 1 61 LEU H 1 63 GLU H 4.830 . 4.830 4.195 3.897 4.483 . 0 0 "[ . 1 . 2]" 1
340 1 32 GLU H 1 33 GLY QA 5.340 . 5.340 4.688 4.218 5.288 . 0 0 "[ . 1 . 2]" 1
341 1 59 LYS H 1 62 LYS H 4.950 . 4.950 4.893 4.779 4.960 0.010 14 0 "[ . 1 . 2]" 1
342 1 47 GLU H 1 65 TYR HE1 5.920 . 5.920 5.879 5.392 6.249 0.329 9 0 "[ . 1 . 2]" 1
343 1 48 ILE H 1 65 TYR QD 4.920 . 4.920 4.507 4.274 4.829 . 0 0 "[ . 1 . 2]" 1
344 1 39 LYS HB2 1 49 HIS H 5.860 . 5.860 5.710 5.580 5.834 . 0 0 "[ . 1 . 2]" 1
345 1 87 ASP H 1 89 HIS HB2 5.360 . 5.360 5.015 4.852 5.267 . 0 0 "[ . 1 . 2]" 1
346 1 66 CYS HA 1 73 MET H 5.210 . 5.210 4.588 4.390 4.870 . 0 0 "[ . 1 . 2]" 1
347 1 78 PHE HB2 1 85 ILE H 4.860 . 4.860 4.231 4.101 4.435 . 0 0 "[ . 1 . 2]" 1
348 1 36 ILE H 1 37 LYS H 5.050 . 5.050 4.411 4.334 4.473 . 0 0 "[ . 1 . 2]" 1
349 1 81 GLU H 1 102 ILE HA 5.030 . 5.030 4.168 3.807 4.416 . 0 0 "[ . 1 . 2]" 1
350 1 43 GLN HE22 1 106 GLN H 5.870 . 5.870 5.044 3.827 5.888 0.018 7 0 "[ . 1 . 2]" 1
351 1 43 GLN HE21 1 76 LEU HB3 5.200 . 5.200 4.213 3.157 5.079 . 0 0 "[ . 1 . 2]" 1
352 1 56 THR H 1 90 THR HB 4.390 . 4.390 2.790 2.530 3.037 . 0 0 "[ . 1 . 2]" 1
353 1 33 GLY H 1 34 GLU H 4.500 . 4.500 4.203 3.159 4.505 0.005 8 0 "[ . 1 . 2]" 1
354 1 108 GLN H 1 109 THR H 4.880 . 4.880 4.408 2.801 4.673 . 0 0 "[ . 1 . 2]" 1
355 1 77 ARG QG 1 106 GLN H 5.920 . 5.920 5.888 5.581 6.018 0.098 6 0 "[ . 1 . 2]" 1
356 1 52 VAL H 1 53 LYS H 5.170 . 5.170 4.373 4.275 4.444 . 0 0 "[ . 1 . 2]" 1
357 1 40 VAL H 1 49 HIS HD2 3.680 . 3.680 3.710 3.450 3.885 0.205 17 0 "[ . 1 . 2]" 1
358 1 39 LYS HA 1 49 HIS HD2 3.600 . 3.600 3.221 2.642 3.577 . 0 0 "[ . 1 . 2]" 1
359 1 58 LEU HA 1 61 LEU H 4.120 . 4.120 3.285 3.198 3.381 . 0 0 "[ . 1 . 2]" 1
360 1 59 LYS HA 1 61 LEU H 4.780 . 4.780 4.097 3.829 4.591 . 0 0 "[ . 1 . 2]" 1
361 1 61 LEU H 1 62 LYS HA 5.410 . 5.410 5.055 4.905 5.341 . 0 0 "[ . 1 . 2]" 1
362 1 49 HIS HB3 1 49 HIS HD2 3.820 . 3.820 3.704 3.391 3.880 0.060 17 0 "[ . 1 . 2]" 1
363 1 61 LEU H 1 62 LYS QE 5.960 . 5.960 5.506 5.226 5.834 . 0 0 "[ . 1 . 2]" 1
364 1 60 LYS QB 1 61 LEU H 3.660 . 3.660 3.181 2.240 3.675 0.015 4 0 "[ . 1 . 2]" 1
365 1 35 TYR QE 1 53 LYS QD 4.570 . 4.570 3.633 2.039 4.718 0.148 20 0 "[ . 1 . 2]" 1
366 1 58 LEU QB 1 61 LEU H 5.050 . 5.050 4.134 4.044 4.334 . 0 0 "[ . 1 . 2]" 1
367 1 60 LYS QD 1 61 LEU H 3.580 . 3.580 2.822 2.519 3.093 . 0 0 "[ . 1 . 2]" 1
368 1 39 LYS HB2 1 49 HIS HD2 3.500 . 3.500 3.091 2.296 3.526 0.026 2 0 "[ . 1 . 2]" 1
369 1 60 LYS QG 1 61 LEU H 3.700 . 3.700 2.941 2.123 4.007 0.307 12 0 "[ . 1 . 2]" 1
370 1 39 LYS HG2 1 49 HIS HD2 3.940 . 3.940 2.460 2.074 3.030 . 0 0 "[ . 1 . 2]" 1
371 1 48 ILE MG 1 49 HIS HD2 4.680 . 4.680 4.519 4.359 4.734 0.054 7 0 "[ . 1 . 2]" 1
372 1 61 LEU H 1 61 LEU MD1 4.190 . 4.190 3.934 3.866 4.011 . 0 0 "[ . 1 . 2]" 1
373 1 61 LEU H 1 62 LYS QG 5.880 . 5.880 5.536 5.201 5.874 . 0 0 "[ . 1 . 2]" 1
374 1 54 MET H 1 55 THR H 4.040 . 4.040 2.761 2.668 2.897 . 0 0 "[ . 1 . 2]" 1
375 1 55 THR H 1 56 THR H 4.230 . 4.230 4.175 4.071 4.265 0.035 18 0 "[ . 1 . 2]" 1
376 1 83 GLN HE22 1 94 LEU HA 4.830 . 4.830 4.914 4.837 5.036 0.206 19 0 "[ . 1 . 2]" 1
377 1 53 LYS HA 1 55 THR H 5.140 . 5.140 4.265 4.109 4.467 . 0 0 "[ . 1 . 2]" 1
378 1 83 GLN HB2 1 83 GLN HE22 5.030 . 5.030 4.863 4.773 5.091 0.061 13 0 "[ . 1 . 2]" 1
379 1 58 LEU H 1 89 HIS H 4.890 . 4.890 4.511 4.123 4.922 0.032 19 0 "[ . 1 . 2]" 1
380 1 89 HIS HD2 1 93 GLU H 4.970 . 4.970 4.133 4.043 4.197 . 0 0 "[ . 1 . 2]" 1
381 1 89 HIS HD2 1 94 LEU H 4.560 . 4.560 3.679 3.527 3.820 . 0 0 "[ . 1 . 2]" 1
382 1 89 HIS HD2 1 90 THR H 3.350 . 3.350 2.051 1.910 2.282 . 0 0 "[ . 1 . 2]" 1
383 1 89 HIS HD2 1 90 THR HA 4.970 . 4.970 4.728 4.582 4.936 . 0 0 "[ . 1 . 2]" 1
384 1 85 ILE HA 1 89 HIS H 4.300 . 4.300 3.597 3.354 3.707 . 0 0 "[ . 1 . 2]" 1
385 1 77 ARG HE 1 107 GLU HA 6.000 . 6.000 5.599 4.877 6.239 0.239 4 0 "[ . 1 . 2]" 1
386 1 86 ALA HA 1 89 HIS H 6.000 . 6.000 5.265 5.173 5.381 . 0 0 "[ . 1 . 2]" 1
387 1 88 ASN HB2 1 89 HIS H 4.370 . 4.370 4.143 3.763 4.372 0.002 11 0 "[ . 1 . 2]" 1
388 1 88 ASN HB3 1 89 HIS H 4.250 . 4.250 4.025 3.091 4.267 0.017 9 0 "[ . 1 . 2]" 1
389 1 89 HIS HD2 1 93 GLU QG 3.860 . 3.860 2.755 2.434 2.904 . 0 0 "[ . 1 . 2]" 1
390 1 89 HIS HD2 1 93 GLU HB3 3.930 . 3.930 2.023 1.896 2.184 . 0 0 "[ . 1 . 2]" 1
391 1 77 ARG HE 1 107 GLU HB3 4.670 . 4.670 2.938 2.530 3.444 . 0 0 "[ . 1 . 2]" 1
392 1 89 HIS HD2 1 94 LEU QB 4.940 . 4.940 4.563 4.255 4.745 . 0 0 "[ . 1 . 2]" 1
393 1 89 HIS HD2 1 94 LEU HG 4.120 . 4.120 2.511 2.162 2.670 . 0 0 "[ . 1 . 2]" 1
394 1 89 HIS HD2 1 94 LEU MD1 3.670 . 3.670 3.706 3.470 3.769 0.099 13 0 "[ . 1 . 2]" 1
395 1 77 ARG HE 1 105 TYR QD 4.600 . 4.600 4.057 3.363 4.726 0.126 4 0 "[ . 1 . 2]" 1
396 1 56 THR H 1 90 THR HA 4.960 . 4.960 3.763 3.518 3.938 . 0 0 "[ . 1 . 2]" 1
397 1 55 THR HB 1 56 THR H 4.520 . 4.520 3.554 3.474 3.641 . 0 0 "[ . 1 . 2]" 1
398 1 56 THR H 1 91 PRO QD 4.540 . 4.540 2.233 2.071 2.376 . 0 0 "[ . 1 . 2]" 1
399 1 77 ARG HE 1 105 TYR HB3 4.690 . 4.690 2.942 2.261 4.655 . 0 0 "[ . 1 . 2]" 1
400 1 56 THR H 1 91 PRO QG 4.290 . 4.290 3.261 3.015 3.420 . 0 0 "[ . 1 . 2]" 1
401 1 77 ARG HE 1 107 GLU HB2 5.030 . 5.030 3.700 3.060 4.346 . 0 0 "[ . 1 . 2]" 1
402 1 77 ARG QB 1 77 ARG HE 4.480 . 4.480 4.244 3.689 4.362 . 0 0 "[ . 1 . 2]" 1
403 1 56 THR H 1 56 THR MG 3.540 . 3.540 2.772 2.717 2.798 . 0 0 "[ . 1 . 2]" 1
404 1 77 ARG H 1 78 PHE QD 5.450 . 5.450 4.675 4.477 4.938 . 0 0 "[ . 1 . 2]" 1
405 1 77 ARG HA 1 78 PHE QD 3.910 . 3.910 2.650 2.534 2.774 . 0 0 "[ . 1 . 2]" 1
406 1 75 SER HB3 1 76 LEU H 4.320 . 4.320 3.986 3.876 4.139 . 0 0 "[ . 1 . 2]" 1
407 1 48 ILE QG 1 50 PHE QD 4.030 . 4.030 2.457 2.246 2.729 . 0 0 "[ . 1 . 2]" 1
408 1 80 PHE QE 1 81 GLU H 4.530 . 4.530 4.595 4.570 4.660 0.130 13 0 "[ . 1 . 2]" 1
409 1 40 VAL H 1 50 PHE HE2 3.970 . 3.970 3.766 3.653 3.972 0.002 16 0 "[ . 1 . 2]" 1
410 1 80 PHE QE 1 96 MET H 3.980 . 3.980 4.005 3.829 4.100 0.120 1 0 "[ . 1 . 2]" 1
411 1 90 THR H 1 94 LEU H 4.340 . 4.340 4.307 4.217 4.397 0.057 8 0 "[ . 1 . 2]" 1
412 1 40 VAL HA 1 50 PHE HE2 5.450 . 5.450 5.157 5.039 5.330 . 0 0 "[ . 1 . 2]" 1
413 1 89 HIS HA 1 90 THR H 3.180 . 3.180 2.256 2.211 2.295 . 0 0 "[ . 1 . 2]" 1
414 1 78 PHE QD 1 104 VAL HA 4.740 . 4.740 4.387 4.209 4.493 . 0 0 "[ . 1 . 2]" 1
415 1 90 THR H 1 90 THR HB 4.200 . 4.200 3.711 3.685 3.743 . 0 0 "[ . 1 . 2]" 1
416 1 80 PHE QE 1 96 MET HA 4.050 . 4.050 3.699 3.306 3.994 . 0 0 "[ . 1 . 2]" 1
417 1 90 THR H 1 91 PRO QD 4.560 . 4.560 4.385 4.337 4.409 . 0 0 "[ . 1 . 2]" 1
418 1 50 PHE HB3 1 50 PHE HE2 4.720 . 4.720 4.599 4.579 4.618 . 0 0 "[ . 1 . 2]" 1
419 1 62 LYS QE 1 78 PHE HE1 6.000 . 6.000 3.785 3.381 4.055 . 0 0 "[ . 1 . 2]" 1
420 1 62 LYS QE 1 78 PHE HE2 6.000 . 6.000 4.123 3.950 4.530 . 0 0 "[ . 1 . 2]" 1
421 1 40 VAL HB 1 78 PHE QD 4.120 . 4.120 3.578 3.413 3.706 . 0 0 "[ . 1 . 2]" 1
422 1 73 MET QB 1 78 PHE HE1 4.730 . 4.730 3.390 3.064 3.694 . 0 0 "[ . 1 . 2]" 1
423 1 73 MET ME 1 78 PHE HE1 5.300 . 5.300 3.198 2.535 3.623 . 0 0 "[ . 1 . 2]" 1
424 1 73 MET ME 1 78 PHE HE2 5.200 . 5.200 4.822 4.334 5.237 0.037 16 0 "[ . 1 . 2]" 1
425 1 90 THR H 1 93 GLU HB3 3.650 . 3.650 2.591 2.310 2.742 . 0 0 "[ . 1 . 2]" 1
426 1 80 PHE QE 1 96 MET QB 3.790 . 3.790 2.232 2.148 2.394 . 0 0 "[ . 1 . 2]" 1
427 1 80 PHE QE 1 94 LEU QB 3.710 . 3.710 2.804 2.566 3.035 . 0 0 "[ . 1 . 2]" 1
428 1 90 THR H 1 94 LEU HG 3.540 . 3.540 3.566 3.476 3.632 0.092 4 0 "[ . 1 . 2]" 1
429 1 80 PHE QE 1 81 GLU HB3 3.520 . 3.520 3.455 3.394 3.535 0.015 2 0 "[ . 1 . 2]" 1
430 1 48 ILE QG 1 50 PHE HE2 4.250 . 4.250 4.073 3.705 4.263 0.013 9 0 "[ . 1 . 2]" 1
431 1 80 PHE QE 1 81 GLU HG2 3.630 . 3.630 3.328 3.141 3.636 0.006 3 0 "[ . 1 . 2]" 1
432 1 90 THR H 1 90 THR MG 3.520 . 3.520 2.726 2.633 2.814 . 0 0 "[ . 1 . 2]" 1
433 1 40 VAL MG1 1 50 PHE HE2 3.070 . 3.070 1.992 1.878 2.111 . 0 0 "[ . 1 . 2]" 1
434 1 76 LEU H 1 76 LEU QD 3.130 . 3.130 1.714 1.677 1.757 0.123 15 0 "[ . 1 . 2]" 1
435 1 40 VAL MG2 1 50 PHE HE2 3.450 . 3.450 2.424 2.119 2.858 . 0 0 "[ . 1 . 2]" 1
436 1 50 PHE HE2 1 61 LEU MD2 4.280 . 4.280 3.502 3.355 3.633 . 0 0 "[ . 1 . 2]" 1
437 1 78 PHE HE2 1 104 VAL MG1 4.840 . 4.840 4.613 4.358 4.858 0.018 20 0 "[ . 1 . 2]" 1
438 1 62 LYS QG 1 78 PHE HE1 5.140 . 5.140 2.849 2.670 2.981 . 0 0 "[ . 1 . 2]" 1
439 1 62 LYS QG 1 78 PHE HE2 5.570 . 5.570 4.297 4.050 4.815 . 0 0 "[ . 1 . 2]" 1
440 1 58 LEU H 1 60 LYS H 5.210 . 5.210 4.611 4.517 4.675 . 0 0 "[ . 1 . 2]" 1
441 1 60 LYS H 1 61 LEU HA 5.680 . 5.680 5.269 5.203 5.369 . 0 0 "[ . 1 . 2]" 1
442 1 89 HIS HB3 1 94 LEU H 5.670 . 5.670 5.559 5.395 5.721 0.051 6 0 "[ . 1 . 2]" 1
443 1 93 GLU HB3 1 94 LEU H 3.910 . 3.910 2.783 2.607 2.977 . 0 0 "[ . 1 . 2]" 1
444 1 59 LYS HB2 1 60 LYS H 4.870 . 4.870 3.940 3.902 3.985 . 0 0 "[ . 1 . 2]" 1
445 1 60 LYS H 1 60 LYS QB 3.310 . 3.310 2.352 2.135 2.546 . 0 0 "[ . 1 . 2]" 1
446 1 58 LEU QB 1 60 LYS H 4.700 . 4.700 4.652 4.591 4.725 0.025 7 0 "[ . 1 . 2]" 1
447 1 59 LYS HB3 1 60 LYS H 3.360 . 3.360 2.895 2.797 2.968 . 0 0 "[ . 1 . 2]" 1
448 1 60 LYS H 1 60 LYS QG 3.800 . 3.800 2.928 2.121 3.976 0.176 12 0 "[ . 1 . 2]" 1
449 1 58 LEU QD 1 60 LYS H 4.930 . 4.930 4.826 4.767 4.895 . 0 0 "[ . 1 . 2]" 1
450 1 65 TYR QD 1 69 GLN HE21 3.980 . 3.980 2.321 2.007 2.555 . 0 0 "[ . 1 . 2]" 1
451 1 83 GLN HA 1 83 GLN HE21 4.750 . 4.750 2.453 1.729 3.698 0.071 20 0 "[ . 1 . 2]" 1
452 1 60 LYS HA 1 62 LYS H 4.370 . 4.370 4.284 4.172 4.411 0.041 6 0 "[ . 1 . 2]" 1
453 1 59 LYS HA 1 62 LYS H 4.370 . 4.370 3.199 3.011 3.272 . 0 0 "[ . 1 . 2]" 1
454 1 83 GLN HB3 1 83 GLN HE21 4.180 . 4.180 2.290 1.743 3.633 0.057 6 0 "[ . 1 . 2]" 1
455 1 68 ARG QB 1 69 GLN HE21 4.290 . 4.290 2.891 2.663 3.117 . 0 0 "[ . 1 . 2]" 1
456 1 62 LYS H 1 62 LYS QD 3.800 . 3.800 2.353 2.079 2.547 . 0 0 "[ . 1 . 2]" 1
457 1 59 LYS HG2 1 62 LYS H 5.430 . 5.430 4.845 4.375 4.995 . 0 0 "[ . 1 . 2]" 1
458 1 48 ILE QG 1 69 GLN HE21 5.990 . 5.990 5.044 4.724 5.353 . 0 0 "[ . 1 . 2]" 1
459 1 96 MET H 1 96 MET QG 3.500 . 3.500 2.171 1.942 2.253 . 0 0 "[ . 1 . 2]" 1
460 1 66 CYS H 1 71 VAL H 5.520 . 5.520 5.307 5.059 5.447 . 0 0 "[ . 1 . 2]" 1
461 1 43 GLN HE21 1 44 ASP H 4.890 . 4.890 2.965 2.180 3.766 . 0 0 "[ . 1 . 2]" 1
462 1 92 LYS H 1 95 GLY H 5.020 . 5.020 4.931 4.764 5.033 0.013 11 0 "[ . 1 . 2]" 1
463 1 94 LEU HA 1 95 GLY H 3.540 . 3.540 3.405 3.383 3.436 . 0 0 "[ . 1 . 2]" 1
464 1 66 CYS HA 1 71 VAL H 2.900 . 2.900 2.558 2.277 2.732 . 0 0 "[ . 1 . 2]" 1
465 1 71 VAL H 1 72 PRO QD 4.410 . 4.410 4.393 4.316 4.422 0.012 4 0 "[ . 1 . 2]" 1
466 1 66 CYS HB2 1 71 VAL H 4.880 . 4.880 4.639 4.195 4.911 0.031 10 0 "[ . 1 . 2]" 1
467 1 66 CYS HB3 1 71 VAL H 5.700 . 5.700 5.348 5.052 5.568 . 0 0 "[ . 1 . 2]" 1
468 1 43 GLN HB3 1 43 GLN HE21 3.930 . 3.930 2.984 1.888 4.077 0.147 6 0 "[ . 1 . 2]" 1
469 1 43 GLN HB2 1 43 GLN HE21 4.490 . 4.490 3.806 3.460 4.175 . 0 0 "[ . 1 . 2]" 1
470 1 69 GLN QB 1 71 VAL H 4.080 . 4.080 3.081 2.778 3.324 . 0 0 "[ . 1 . 2]" 1
471 1 94 LEU QB 1 95 GLY H 4.650 . 4.650 3.115 3.078 3.141 . 0 0 "[ . 1 . 2]" 1
472 1 94 LEU QB 1 96 MET H 4.830 . 4.830 2.867 2.764 2.978 . 0 0 "[ . 1 . 2]" 1
473 1 94 LEU HG 1 95 GLY H 4.660 . 4.660 4.579 4.503 4.633 . 0 0 "[ . 1 . 2]" 1
474 1 43 GLN HE21 1 44 ASP HA 5.930 . 5.930 4.386 3.003 5.717 . 0 0 "[ . 1 . 2]" 1
475 1 43 GLN HE21 1 106 GLN HA 6.000 . 6.000 4.860 3.431 6.055 0.055 15 0 "[ . 1 . 2]" 1
476 1 86 ALA H 1 88 ASN H 5.140 . 5.140 3.582 3.349 3.732 . 0 0 "[ . 1 . 2]" 1
477 1 88 ASN H 1 89 HIS HB2 4.730 . 4.730 3.507 3.388 3.655 . 0 0 "[ . 1 . 2]" 1
478 1 88 ASN H 1 89 HIS HB3 4.800 . 4.800 4.583 4.429 4.759 . 0 0 "[ . 1 . 2]" 1
479 1 41 ILE H 1 104 VAL H 4.410 . 4.410 3.903 3.515 4.046 . 0 0 "[ . 1 . 2]" 1
480 1 41 ILE HA 1 104 VAL H 5.240 . 5.240 5.130 4.974 5.248 0.008 4 0 "[ . 1 . 2]" 1
481 1 78 PHE HA 1 104 VAL H 5.080 . 5.080 4.851 4.699 4.929 . 0 0 "[ . 1 . 2]" 1
482 1 42 GLY QA 1 104 VAL H 4.590 . 4.590 2.522 2.330 2.826 . 0 0 "[ . 1 . 2]" 1
483 1 89 HIS HE1 1 93 GLU QG 4.480 . 4.480 4.352 4.094 4.546 0.066 1 0 "[ . 1 . 2]" 1
484 1 69 GLN H 1 71 VAL H 4.220 . 4.220 4.053 3.889 4.244 0.024 7 0 "[ . 1 . 2]" 1
485 1 89 HIS HA 1 89 HIS HE1 5.460 . 5.460 5.273 5.168 5.350 . 0 0 "[ . 1 . 2]" 1
486 1 67 GLN HA 1 69 GLN H 5.210 . 5.210 4.995 4.890 5.084 . 0 0 "[ . 1 . 2]" 1
487 1 66 CYS HA 1 69 GLN H 3.960 . 3.960 3.885 3.671 4.003 0.043 6 0 "[ . 1 . 2]" 1
488 1 89 HIS HB2 1 89 HIS HE1 4.880 . 4.880 4.713 4.694 4.732 . 0 0 "[ . 1 . 2]" 1
489 1 68 ARG QD 1 69 GLN H 5.250 . 5.250 4.731 4.274 5.225 . 0 0 "[ . 1 . 2]" 1
490 1 69 GLN H 1 69 GLN QG 3.620 . 3.620 3.619 3.545 3.686 0.066 13 0 "[ . 1 . 2]" 1
491 1 69 GLN H 1 69 GLN QB 3.580 . 3.580 2.260 2.233 2.306 . 0 0 "[ . 1 . 2]" 1
492 1 89 HIS HE1 1 94 LEU HG 6.000 . 6.000 5.268 5.063 5.603 . 0 0 "[ . 1 . 2]" 1
493 1 73 MET H 1 75 SER H 4.750 . 4.750 4.484 4.259 4.570 . 0 0 "[ . 1 . 2]" 1
494 1 66 CYS H 1 70 GLY H 5.570 . 5.570 5.369 5.237 5.481 . 0 0 "[ . 1 . 2]" 1
495 1 69 GLN HE22 1 70 GLY H 5.660 . 5.660 5.311 5.194 5.399 . 0 0 "[ . 1 . 2]" 1
496 1 75 SER H 1 75 SER HB2 3.540 . 3.540 2.623 2.477 2.776 . 0 0 "[ . 1 . 2]" 1
497 1 74 ASN HB2 1 75 SER H 4.330 . 4.330 2.734 2.506 3.138 . 0 0 "[ . 1 . 2]" 1
498 1 72 PRO QB 1 75 SER H 4.210 . 4.210 2.494 2.413 2.645 . 0 0 "[ . 1 . 2]" 1
499 1 72 PRO QG 1 75 SER H 3.920 . 3.920 3.809 3.596 3.935 0.015 15 0 "[ . 1 . 2]" 1
500 1 68 ARG QB 1 70 GLY H 4.260 . 4.260 4.339 4.279 4.406 0.146 4 0 "[ . 1 . 2]" 1
501 1 69 GLN QB 1 70 GLY H 3.840 . 3.840 3.169 3.138 3.187 . 0 0 "[ . 1 . 2]" 1
502 1 81 GLU H 1 83 GLN H 4.550 . 4.550 4.030 3.983 4.085 . 0 0 "[ . 1 . 2]" 1
503 1 80 PHE H 1 83 GLN H 3.680 . 3.680 2.690 2.560 2.856 . 0 0 "[ . 1 . 2]" 1
504 1 64 SER H 1 65 TYR H 3.730 . 3.730 2.726 2.666 2.803 . 0 0 "[ . 1 . 2]" 1
505 1 93 GLU H 1 95 GLY H 4.400 . 4.400 3.849 3.752 3.927 . 0 0 "[ . 1 . 2]" 1
506 1 90 THR H 1 93 GLU H 4.030 . 4.030 3.816 3.654 3.911 . 0 0 "[ . 1 . 2]" 1
507 1 79 LEU HA 1 83 GLN H 4.090 . 4.090 4.204 4.147 4.250 0.160 20 0 "[ . 1 . 2]" 1
508 1 80 PHE HA 1 83 GLN H 4.450 . 4.450 4.175 4.124 4.249 . 0 0 "[ . 1 . 2]" 1
509 1 83 GLN H 1 84 ARG HA 6.000 . 6.000 5.127 4.826 5.326 . 0 0 "[ . 1 . 2]" 1
510 1 55 THR HA 1 93 GLU H 6.000 . 6.000 5.491 5.065 5.732 . 0 0 "[ . 1 . 2]" 1
511 1 61 LEU HA 1 64 SER H 4.290 . 4.290 3.187 2.932 3.307 . 0 0 "[ . 1 . 2]" 1
512 1 63 GLU HG2 1 64 SER H 4.600 . 4.600 4.703 4.653 4.746 0.146 12 0 "[ . 1 . 2]" 1
513 1 83 GLN H 1 83 GLN QG 3.280 . 3.280 2.729 2.497 2.903 . 0 0 "[ . 1 . 2]" 1
514 1 93 GLU H 1 93 GLU HB2 3.060 . 3.060 2.497 2.291 2.605 . 0 0 "[ . 1 . 2]" 1
515 1 83 GLN H 1 83 GLN HB2 3.110 . 3.110 2.323 2.239 2.434 . 0 0 "[ . 1 . 2]" 1
516 1 93 GLU H 1 93 GLU HB3 3.490 . 3.490 2.483 2.393 2.617 . 0 0 "[ . 1 . 2]" 1
517 1 92 LYS HB2 1 93 GLU H 4.780 . 4.780 3.863 3.739 3.929 . 0 0 "[ . 1 . 2]" 1
518 1 93 GLU H 1 94 LEU HG 4.260 . 4.260 4.078 3.999 4.162 . 0 0 "[ . 1 . 2]" 1
519 1 43 GLN HA 1 45 SER H 3.620 . 3.620 3.274 3.116 3.452 . 0 0 "[ . 1 . 2]" 1
520 1 45 SER H 1 45 SER HA 2.750 . 2.750 2.244 2.180 2.281 . 0 0 "[ . 1 . 2]" 1
521 1 44 ASP HB2 1 45 SER H 4.580 . 4.580 4.299 4.201 4.423 . 0 0 "[ . 1 . 2]" 1
522 1 44 ASP HB3 1 45 SER H 3.700 . 3.700 3.516 3.404 3.638 . 0 0 "[ . 1 . 2]" 1
523 1 66 CYS H 1 68 ARG H 4.450 . 4.450 4.165 4.073 4.343 . 0 0 "[ . 1 . 2]" 1
524 1 67 GLN H 1 68 ARG H 3.730 . 3.730 2.542 2.501 2.601 . 0 0 "[ . 1 . 2]" 1
525 1 43 GLN HE21 1 45 SER H 5.880 . 5.880 5.088 4.360 5.809 . 0 0 "[ . 1 . 2]" 1
526 1 68 ARG H 1 71 VAL H 6.000 . 6.000 5.508 5.322 5.674 . 0 0 "[ . 1 . 2]" 1
527 1 68 ARG H 1 68 ARG QD 4.630 . 4.630 4.332 4.122 4.519 . 0 0 "[ . 1 . 2]" 1
528 1 57 HIS HB3 1 57 HIS HE1 5.140 . 5.140 5.139 4.887 5.235 0.095 1 0 "[ . 1 . 2]" 1
529 1 67 GLN HG3 1 68 ARG H 5.650 . 5.650 5.031 4.870 5.140 . 0 0 "[ . 1 . 2]" 1
530 1 68 ARG H 1 68 ARG QB 3.310 . 3.310 2.285 2.201 2.443 . 0 0 "[ . 1 . 2]" 1
531 1 68 ARG H 1 68 ARG QG 4.020 . 4.020 3.804 2.573 4.078 0.058 19 0 "[ . 1 . 2]" 1
532 1 68 ARG H 1 69 GLN H 3.610 . 3.610 2.479 2.399 2.548 . 0 0 "[ . 1 . 2]" 1
533 1 48 ILE MD 1 68 ARG H 4.170 . 4.170 3.910 3.803 4.066 . 0 0 "[ . 1 . 2]" 1
534 1 90 THR HB 1 92 LYS H 4.010 . 4.010 2.650 2.580 2.717 . 0 0 "[ . 1 . 2]" 1
535 1 55 THR HA 1 92 LYS H 4.330 . 4.330 3.650 3.417 3.810 . 0 0 "[ . 1 . 2]" 1
536 1 44 ASP HB3 1 46 SER H 4.610 . 4.610 2.671 2.511 2.932 . 0 0 "[ . 1 . 2]" 1
537 1 92 LYS H 1 92 LYS HB3 3.530 . 3.530 2.664 2.595 2.737 . 0 0 "[ . 1 . 2]" 1
538 1 92 LYS H 1 92 LYS QG 3.670 . 3.670 2.143 1.951 2.265 . 0 0 "[ . 1 . 2]" 1
539 1 92 LYS H 1 94 LEU MD1 4.770 . 4.770 4.793 4.656 4.847 0.077 10 0 "[ . 1 . 2]" 1
540 1 36 ILE MD 1 92 LYS H 6.000 . 6.000 5.811 5.564 6.037 0.037 5 0 "[ . 1 . 2]" 1
541 1 42 GLY H 1 46 SER H 4.440 . 4.440 3.404 3.142 3.527 . 0 0 "[ . 1 . 2]" 1
542 1 44 ASP H 1 46 SER H 4.050 . 4.050 3.431 3.242 3.547 . 0 0 "[ . 1 . 2]" 1
543 1 46 SER H 1 47 GLU HA 5.460 . 5.460 5.016 4.865 5.104 . 0 0 "[ . 1 . 2]" 1
544 1 44 ASP HA 1 46 SER H 4.440 . 4.440 4.273 4.152 4.462 0.022 2 0 "[ . 1 . 2]" 1
545 1 45 SER HA 1 46 SER H 3.460 . 3.460 3.069 2.927 3.156 . 0 0 "[ . 1 . 2]" 1
546 1 46 SER H 1 46 SER HB2 4.160 . 4.160 2.620 2.422 3.583 . 0 0 "[ . 1 . 2]" 1
547 1 91 PRO QD 1 92 LYS H 3.440 . 3.440 2.793 2.698 2.872 . 0 0 "[ . 1 . 2]" 1
548 1 42 GLY QA 1 46 SER H 4.830 . 4.830 4.271 4.094 4.432 . 0 0 "[ . 1 . 2]" 1
549 1 38 LEU HA 1 100 ASP H 4.300 . 4.300 2.640 2.376 2.864 . 0 0 "[ . 1 . 2]" 1
550 1 98 GLU HA 1 100 ASP H 3.770 . 3.770 3.226 3.049 3.494 . 0 0 "[ . 1 . 2]" 1
551 1 100 ASP H 1 100 ASP HB3 3.580 . 3.580 3.142 2.917 3.347 . 0 0 "[ . 1 . 2]" 1
552 1 99 GLU QB 1 100 ASP H 3.970 . 3.970 3.800 3.666 4.018 0.048 14 0 "[ . 1 . 2]" 1
553 1 98 GLU HB2 1 100 ASP H 5.040 . 5.040 4.820 4.642 5.101 0.061 20 0 "[ . 1 . 2]" 1
554 1 15 MET QB 1 16 SER H 3.950 . 3.950 2.931 2.094 3.959 0.009 5 0 "[ . 1 . 2]" 1
555 1 38 LEU HB2 1 100 ASP H 4.950 . 4.950 4.592 4.427 4.767 . 0 0 "[ . 1 . 2]" 1
556 1 38 LEU HB3 1 100 ASP H 4.690 . 4.690 3.152 2.990 3.385 . 0 0 "[ . 1 . 2]" 1
557 1 101 VAL H 1 102 ILE H 4.630 . 4.630 4.336 4.237 4.453 . 0 0 "[ . 1 . 2]" 1
558 1 28 GLY H 1 29 ASP H 3.410 . 3.410 2.747 1.772 3.452 0.042 9 0 "[ . 1 . 2]" 1
559 1 34 GLU H 1 35 TYR HA 5.460 . 5.460 5.118 4.704 5.236 . 0 0 "[ . 1 . 2]" 1
560 1 28 GLY QA 1 29 ASP H 3.230 . 3.230 2.696 2.456 2.882 . 0 0 "[ . 1 . 2]" 1
561 1 33 GLY QA 1 34 GLU H 3.340 . 3.340 2.205 2.093 2.363 . 0 0 "[ . 1 . 2]" 1
562 1 39 LYS QE 1 101 VAL H 5.590 . 5.590 5.428 4.677 5.703 0.113 12 0 "[ . 1 . 2]" 1
563 1 29 ASP H 1 29 ASP QB 3.300 . 3.300 2.424 2.225 3.147 . 0 0 "[ . 1 . 2]" 1
564 1 34 GLU H 1 34 GLU QG 3.660 . 3.660 2.649 1.948 3.996 0.336 15 0 "[ . 1 . 2]" 1
565 1 34 GLU H 1 34 GLU QB 3.300 . 3.300 2.520 2.287 2.948 . 0 0 "[ . 1 . 2]" 1
566 1 29 ASP H 1 30 LYS H 3.170 . 3.170 2.626 1.732 3.697 0.527 14 1 "[ . 1 +. 2]" 1
567 1 23 SER QB 1 24 THR H 3.980 . 3.980 3.337 2.236 3.937 . 0 0 "[ . 1 . 2]" 1
568 1 19 GLU QB 1 20 ALA H 3.270 . 3.270 2.972 1.996 3.760 0.490 20 0 "[ . 1 . 2]" 1
569 1 65 TYR H 1 67 GLN H 4.590 . 4.590 3.766 3.659 3.868 . 0 0 "[ . 1 . 2]" 1
570 1 67 GLN H 1 69 GLN H 4.580 . 4.580 4.273 4.186 4.334 . 0 0 "[ . 1 . 2]" 1
571 1 65 TYR HA 1 67 GLN H 4.440 . 4.440 4.316 4.227 4.400 . 0 0 "[ . 1 . 2]" 1
572 1 66 CYS HB3 1 67 GLN H 3.790 . 3.790 2.844 2.723 2.988 . 0 0 "[ . 1 . 2]" 1
573 1 43 GLN QG 1 44 ASP H 3.780 . 3.780 3.415 3.271 3.530 . 0 0 "[ . 1 . 2]" 1
574 1 67 GLN H 1 67 GLN HG3 4.080 . 4.080 3.575 3.509 3.663 . 0 0 "[ . 1 . 2]" 1
575 1 21 LYS H 1 21 LYS QG 3.630 . 3.630 2.060 1.771 2.875 0.029 18 0 "[ . 1 . 2]" 1
576 1 48 ILE MD 1 67 GLN H 5.300 . 5.300 5.184 4.948 5.421 0.121 10 0 "[ . 1 . 2]" 1
577 1 97 GLU H 1 98 GLU H 4.440 . 4.440 4.289 4.213 4.452 0.012 9 0 "[ . 1 . 2]" 1
578 1 42 GLY H 1 44 ASP H 4.180 . 4.180 4.004 3.907 4.114 . 0 0 "[ . 1 . 2]" 1
579 1 16 SER HA 1 17 ASP H 3.460 . 3.460 2.820 2.133 3.568 0.108 2 0 "[ . 1 . 2]" 1
580 1 42 GLY QA 1 44 ASP H 3.900 . 3.900 2.868 2.760 2.939 . 0 0 "[ . 1 . 2]" 1
581 1 44 ASP H 1 44 ASP HB2 3.530 . 3.530 2.576 2.380 2.703 . 0 0 "[ . 1 . 2]" 1
582 1 97 GLU HB2 1 98 GLU H 3.800 . 3.800 2.954 1.769 3.813 0.031 3 0 "[ . 1 . 2]" 1
583 1 98 GLU H 1 98 GLU HB3 3.270 . 3.270 2.592 2.418 2.792 . 0 0 "[ . 1 . 2]" 1
584 1 97 GLU HB3 1 98 GLU H 3.800 . 3.800 2.445 1.715 3.426 0.085 12 0 "[ . 1 . 2]" 1
585 1 30 LYS H 1 30 LYS QD 4.190 . 4.190 3.614 1.843 4.336 0.146 19 0 "[ . 1 . 2]" 1
586 1 36 ILE HB 1 98 GLU H 4.600 . 4.600 3.585 3.087 3.855 . 0 0 "[ . 1 . 2]" 1
587 1 30 LYS HA 1 31 LYS H 2.960 . 2.960 2.346 2.099 3.147 0.187 1 0 "[ . 1 . 2]" 1
588 1 34 GLU HA 1 35 TYR H 3.100 . 3.100 2.250 2.089 2.416 . 0 0 "[ . 1 . 2]" 1
589 1 16 SER QB 1 17 ASP H 3.820 . 3.820 2.877 2.088 3.738 . 0 0 "[ . 1 . 2]" 1
590 1 29 ASP QB 1 30 LYS H 3.290 . 3.290 2.570 1.836 3.713 0.423 14 0 "[ . 1 . 2]" 1
591 1 30 LYS H 1 30 LYS QB 3.610 . 3.610 2.550 2.197 3.311 . 0 0 "[ . 1 . 2]" 1
592 1 27 LEU H 1 27 LEU HB2 4.150 . 4.150 3.266 2.391 3.992 . 0 0 "[ . 1 . 2]" 1
593 1 27 LEU H 1 27 LEU HG 3.740 . 3.740 2.575 1.669 3.621 0.131 10 0 "[ . 1 . 2]" 1
594 1 31 LYS H 1 31 LYS QG 3.970 . 3.970 3.388 1.922 4.160 0.190 9 0 "[ . 1 . 2]" 1
595 1 35 TYR H 1 36 ILE H 4.470 . 4.470 4.411 4.293 4.481 0.011 7 0 "[ . 1 . 2]" 1
596 1 109 THR H 1 110 GLY QA 4.770 . 4.770 4.292 3.659 4.938 0.168 18 0 "[ . 1 . 2]" 1
597 1 108 GLN QG 1 109 THR H 4.180 . 4.180 3.631 2.280 4.251 0.071 11 0 "[ . 1 . 2]" 1
598 1 73 MET H 1 74 ASN H 3.640 . 3.640 2.636 2.509 2.723 . 0 0 "[ . 1 . 2]" 1
599 1 74 ASN H 1 74 ASN HD21 4.530 . 4.530 2.358 2.086 3.144 . 0 0 "[ . 1 . 2]" 1
600 1 76 LEU HA 1 107 GLU H 3.560 . 3.560 1.989 1.789 2.267 0.011 2 0 "[ . 1 . 2]" 1
601 1 106 GLN HA 1 107 GLU H 2.910 . 2.910 2.110 2.076 2.148 . 0 0 "[ . 1 . 2]" 1
602 1 74 ASN H 1 75 SER HB2 4.740 . 4.740 4.526 4.366 4.641 . 0 0 "[ . 1 . 2]" 1
603 1 74 ASN H 1 74 ASN HB2 3.550 . 3.550 2.468 2.390 2.643 . 0 0 "[ . 1 . 2]" 1
604 1 72 PRO QB 1 74 ASN H 3.730 . 3.730 3.030 2.834 3.169 . 0 0 "[ . 1 . 2]" 1
605 1 106 GLN QG 1 107 GLU H 4.240 . 4.240 3.497 3.287 3.644 . 0 0 "[ . 1 . 2]" 1
606 1 73 MET QB 1 74 ASN H 3.320 . 3.320 3.325 3.298 3.346 0.026 3 0 "[ . 1 . 2]" 1
607 1 76 LEU HB3 1 107 GLU H 4.140 . 4.140 3.351 3.107 3.585 . 0 0 "[ . 1 . 2]" 1
608 1 27 LEU HG 1 28 GLY H 4.780 . 4.780 4.104 2.407 4.949 0.169 7 0 "[ . 1 . 2]" 1
609 1 41 ILE H 1 42 GLY H 4.490 . 4.490 4.402 4.321 4.454 . 0 0 "[ . 1 . 2]" 1
610 1 63 GLU H 1 64 SER H 3.740 . 3.740 2.799 2.690 2.927 . 0 0 "[ . 1 . 2]" 1
611 1 60 LYS HA 1 63 GLU H 3.990 . 3.990 3.589 3.391 3.812 . 0 0 "[ . 1 . 2]" 1
612 1 63 GLU H 1 73 MET QG 5.140 . 5.140 4.584 4.371 4.807 . 0 0 "[ . 1 . 2]" 1
613 1 32 GLU H 1 32 GLU QB 2.960 . 2.960 2.657 2.278 3.302 0.342 14 0 "[ . 1 . 2]" 1
614 1 59 LYS QD 1 63 GLU H 4.220 . 4.220 3.602 3.483 4.066 . 0 0 "[ . 1 . 2]" 1
615 1 61 LEU HG 1 63 GLU H 5.660 . 5.660 4.970 4.809 5.086 . 0 0 "[ . 1 . 2]" 1
616 1 62 LYS QG 1 63 GLU H 4.620 . 4.620 4.365 4.237 4.485 . 0 0 "[ . 1 . 2]" 1
617 1 63 GLU H 1 65 TYR H 4.630 . 4.630 3.991 3.782 4.129 . 0 0 "[ . 1 . 2]" 1
618 1 32 GLU H 1 32 GLU QG 3.280 . 3.280 2.272 1.717 2.907 0.083 3 0 "[ . 1 . 2]" 1
619 1 63 GLU H 1 63 GLU QB 2.930 . 2.930 2.539 2.464 2.609 . 0 0 "[ . 1 . 2]" 1
620 1 31 LYS QB 1 32 GLU H 3.640 . 3.640 3.048 1.718 3.815 0.175 5 0 "[ . 1 . 2]" 1
621 1 31 LYS QD 1 32 GLU H 4.160 . 4.160 3.646 2.150 4.406 0.246 9 0 "[ . 1 . 2]" 1
622 1 109 THR MG 1 110 GLY H 4.270 . 4.270 3.515 2.821 4.331 0.061 3 0 "[ . 1 . 2]" 1
623 1 43 GLN H 1 105 TYR H 5.840 . 5.840 5.451 5.120 5.729 . 0 0 "[ . 1 . 2]" 1
624 1 79 LEU H 1 105 TYR H 4.590 . 4.590 3.872 3.629 4.020 . 0 0 "[ . 1 . 2]" 1
625 1 58 LEU H 1 59 LYS H 4.240 . 4.240 2.735 2.592 2.843 . 0 0 "[ . 1 . 2]" 1
626 1 104 VAL H 1 105 TYR H 4.430 . 4.430 4.285 4.186 4.414 . 0 0 "[ . 1 . 2]" 1
627 1 59 LYS H 1 60 LYS H 4.090 . 4.090 2.690 2.618 2.745 . 0 0 "[ . 1 . 2]" 1
628 1 105 TYR H 1 105 TYR HB2 3.840 . 3.840 2.489 2.434 2.563 . 0 0 "[ . 1 . 2]" 1
629 1 59 LYS H 1 59 LYS QE 4.720 . 4.720 4.294 4.159 4.445 . 0 0 "[ . 1 . 2]" 1
630 1 54 MET H 1 54 MET QG 4.400 . 4.400 4.055 3.996 4.085 . 0 0 "[ . 1 . 2]" 1
631 1 59 LYS H 1 87 ASP QB 4.770 . 4.770 4.200 3.925 4.453 . 0 0 "[ . 1 . 2]" 1
632 1 58 LEU HG 1 59 LYS H 4.760 . 4.760 4.684 4.640 4.763 0.003 17 0 "[ . 1 . 2]" 1
633 1 59 LYS H 1 59 LYS HB3 3.590 . 3.590 2.650 2.574 2.737 . 0 0 "[ . 1 . 2]" 1
634 1 76 LEU HB2 1 105 TYR H 4.120 . 4.120 3.666 3.457 3.849 . 0 0 "[ . 1 . 2]" 1
635 1 59 LYS H 1 59 LYS HG2 4.260 . 4.260 4.326 4.284 4.349 0.089 3 0 "[ . 1 . 2]" 1
636 1 59 LYS H 1 90 THR MG 5.980 . 5.980 5.888 5.738 6.068 0.088 2 0 "[ . 1 . 2]" 1
637 1 52 VAL MG1 1 53 LYS H 4.180 . 4.180 3.526 3.453 3.772 . 0 0 "[ . 1 . 2]" 1
638 1 76 LEU HB3 1 105 TYR H 5.160 . 5.160 4.990 4.786 5.175 0.015 2 0 "[ . 1 . 2]" 1
639 1 59 LYS H 1 61 LEU HG 5.390 . 5.390 5.058 4.991 5.181 . 0 0 "[ . 1 . 2]" 1
640 1 37 LYS H 1 99 GLU H 4.200 . 4.200 3.631 3.232 3.997 . 0 0 "[ . 1 . 2]" 1
641 1 39 LYS H 1 100 ASP H 4.480 . 4.480 3.950 3.794 4.091 . 0 0 "[ . 1 . 2]" 1
642 1 39 LYS H 1 50 PHE HE1 5.250 . 5.250 4.980 4.823 5.248 . 0 0 "[ . 1 . 2]" 1
643 1 39 LYS H 1 49 HIS HA 4.970 . 4.970 4.852 4.782 4.908 . 0 0 "[ . 1 . 2]" 1
644 1 38 LEU HA 1 39 LYS H 2.970 . 2.970 2.638 2.571 2.681 . 0 0 "[ . 1 . 2]" 1
645 1 36 ILE HA 1 37 LYS H 3.220 . 3.220 2.318 2.184 2.407 . 0 0 "[ . 1 . 2]" 1
646 1 22 PRO HD3 1 23 SER H 5.430 . 5.430 4.802 3.913 5.470 0.040 2 0 "[ . 1 . 2]" 1
647 1 47 GLU H 1 47 GLU QG 4.360 . 4.360 2.757 2.444 3.323 . 0 0 "[ . 1 . 2]" 1
648 1 22 PRO HB3 1 23 SER H 3.980 . 3.980 3.429 3.099 4.102 0.122 13 0 "[ . 1 . 2]" 1
649 1 38 LEU HB2 1 39 LYS H 3.590 . 3.590 2.920 2.820 3.008 . 0 0 "[ . 1 . 2]" 1
650 1 39 LYS H 1 39 LYS HB3 3.840 . 3.840 2.837 2.754 2.920 . 0 0 "[ . 1 . 2]" 1
651 1 38 LEU HB3 1 39 LYS H 3.630 . 3.630 2.079 1.989 2.149 . 0 0 "[ . 1 . 2]" 1
652 1 39 LYS H 1 101 VAL QG 5.100 . 5.100 4.499 4.316 4.711 . 0 0 "[ . 1 . 2]" 1
653 1 41 ILE QG 1 47 GLU H 5.540 . 5.540 5.027 4.657 5.142 . 0 0 "[ . 1 . 2]" 1
654 1 39 LYS H 1 40 VAL MG1 3.650 . 3.650 3.586 3.522 3.653 0.003 19 0 "[ . 1 . 2]" 1
655 1 37 LYS H 1 38 LEU HG 4.710 . 4.710 4.385 4.126 4.701 . 0 0 "[ . 1 . 2]" 1
656 1 38 LEU HG 1 39 LYS H 5.180 . 5.180 4.395 4.310 4.617 . 0 0 "[ . 1 . 2]" 1
657 1 23 SER H 1 24 THR HA 5.450 . 5.450 4.873 4.072 5.420 . 0 0 "[ . 1 . 2]" 1
658 1 47 GLU H 1 48 ILE HA 5.790 . 5.790 4.676 4.532 5.062 . 0 0 "[ . 1 . 2]" 1
659 1 22 PRO QG 1 23 SER H 3.800 . 3.800 2.978 1.805 3.849 0.049 10 0 "[ . 1 . 2]" 1
660 1 66 CYS H 1 69 GLN H 5.220 . 5.220 4.836 4.780 4.900 . 0 0 "[ . 1 . 2]" 1
661 1 41 ILE HA 1 48 ILE H 4.180 . 4.180 4.017 3.787 4.103 . 0 0 "[ . 1 . 2]" 1
662 1 39 LYS HA 1 48 ILE H 4.450 . 4.450 4.242 4.082 4.474 0.024 2 0 "[ . 1 . 2]" 1
663 1 66 CYS H 1 66 CYS HB2 3.640 . 3.640 2.575 2.459 2.783 . 0 0 "[ . 1 . 2]" 1
664 1 66 CYS H 1 66 CYS HB3 3.600 . 3.600 2.507 2.294 2.605 . 0 0 "[ . 1 . 2]" 1
665 1 65 TYR HB3 1 66 CYS H 3.400 . 3.400 2.339 2.217 2.460 . 0 0 "[ . 1 . 2]" 1
666 1 66 CYS H 1 67 GLN HG2 4.930 . 4.930 4.414 4.183 4.640 . 0 0 "[ . 1 . 2]" 1
667 1 66 CYS H 1 67 GLN HG3 5.680 . 5.680 5.689 5.592 5.761 0.081 6 0 "[ . 1 . 2]" 1
668 1 66 CYS H 1 73 MET QB 4.680 . 4.680 4.234 4.070 4.445 . 0 0 "[ . 1 . 2]" 1
669 1 66 CYS H 1 73 MET ME 5.130 . 5.130 4.228 3.609 4.557 . 0 0 "[ . 1 . 2]" 1
670 1 47 GLU HB2 1 48 ILE H 3.990 . 3.990 2.552 2.407 2.797 . 0 0 "[ . 1 . 2]" 1
671 1 47 GLU HB3 1 48 ILE H 4.290 . 4.290 3.862 3.759 3.974 . 0 0 "[ . 1 . 2]" 1
672 1 66 CYS H 1 69 GLN QB 5.110 . 5.110 5.117 5.017 5.179 0.069 20 0 "[ . 1 . 2]" 1
673 1 41 ILE QG 1 48 ILE H 4.580 . 4.580 4.265 4.070 4.427 . 0 0 "[ . 1 . 2]" 1
674 1 40 VAL MG2 1 48 ILE H 4.320 . 4.320 2.788 2.481 2.887 . 0 0 "[ . 1 . 2]" 1
675 1 49 HIS H 1 49 HIS HB3 3.830 . 3.830 3.728 3.695 3.761 . 0 0 "[ . 1 . 2]" 1
676 1 49 HIS H 1 49 HIS HB2 3.390 . 3.390 2.598 2.512 2.694 . 0 0 "[ . 1 . 2]" 1
677 1 39 LYS HG2 1 49 HIS H 5.590 . 5.590 5.182 4.851 5.601 0.011 8 0 "[ . 1 . 2]" 1
678 1 86 ALA H 1 87 ASP H 4.700 . 4.700 3.654 3.575 3.738 . 0 0 "[ . 1 . 2]" 1
679 1 85 ILE H 1 87 ASP H 5.970 . 5.970 5.579 5.430 5.735 . 0 0 "[ . 1 . 2]" 1
680 1 87 ASP H 1 88 ASN H 3.820 . 3.820 3.020 2.953 3.104 . 0 0 "[ . 1 . 2]" 1
681 1 87 ASP H 1 89 HIS H 4.640 . 4.640 4.208 4.064 4.362 . 0 0 "[ . 1 . 2]" 1
682 1 87 ASP H 1 88 ASN HA 6.000 . 6.000 5.519 5.473 5.588 . 0 0 "[ . 1 . 2]" 1
683 1 108 GLN H 1 109 THR HA 6.000 . 6.000 5.463 5.197 5.694 . 0 0 "[ . 1 . 2]" 1
684 1 87 ASP H 1 87 ASP QB 3.550 . 3.550 3.183 2.736 3.306 . 0 0 "[ . 1 . 2]" 1
685 1 43 GLN H 1 43 GLN HB3 3.370 . 3.370 2.331 2.234 2.436 . 0 0 "[ . 1 . 2]" 1
686 1 107 GLU QG 1 108 GLN H 3.300 . 3.300 2.858 2.214 3.423 0.123 9 0 "[ . 1 . 2]" 1
687 1 43 GLN H 1 76 LEU HB3 5.280 . 5.280 5.103 4.864 5.260 . 0 0 "[ . 1 . 2]" 1
688 1 76 LEU HA 1 108 GLN H 6.000 . 6.000 5.289 2.995 6.051 0.051 15 0 "[ . 1 . 2]" 1
689 1 108 GLN H 1 108 GLN HB2 3.610 . 3.610 3.137 2.355 3.677 0.067 14 0 "[ . 1 . 2]" 1
690 1 107 GLU HB2 1 108 GLN H 4.050 . 4.050 4.114 3.748 4.318 0.268 9 0 "[ . 1 . 2]" 1
691 1 57 HIS H 1 58 LEU H 4.610 . 4.610 4.462 4.389 4.546 . 0 0 "[ . 1 . 2]" 1
692 1 56 THR H 1 57 HIS H 4.550 . 4.550 4.311 4.270 4.353 . 0 0 "[ . 1 . 2]" 1
693 1 83 GLN HB3 1 84 ARG H 3.530 . 3.530 3.067 2.804 3.465 . 0 0 "[ . 1 . 2]" 1
694 1 84 ARG H 1 84 ARG QG 3.960 . 3.960 3.091 1.769 4.029 0.069 15 0 "[ . 1 . 2]" 1
695 1 65 TYR H 1 66 CYS H 3.710 . 3.710 2.576 2.512 2.701 . 0 0 "[ . 1 . 2]" 1
696 1 64 SER QB 1 65 TYR H 3.350 . 3.350 2.834 2.657 3.547 0.197 17 0 "[ . 1 . 2]" 1
697 1 61 LEU HA 1 65 TYR H 4.480 . 4.480 4.020 3.952 4.119 . 0 0 "[ . 1 . 2]" 1
698 1 62 LYS HA 1 65 TYR H 4.030 . 4.030 3.516 3.425 3.617 . 0 0 "[ . 1 . 2]" 1
699 1 63 GLU HG2 1 65 TYR H 6.000 . 6.000 6.146 6.046 6.247 0.247 20 0 "[ . 1 . 2]" 1
700 1 78 PHE HB3 1 103 GLU H 6.000 . 6.000 5.168 4.905 5.367 . 0 0 "[ . 1 . 2]" 1
701 1 84 ARG H 1 94 LEU MD2 4.520 . 4.520 4.375 3.955 4.633 0.113 9 0 "[ . 1 . 2]" 1
702 1 81 GLU H 1 82 GLY H 3.600 . 3.600 2.907 2.845 2.943 . 0 0 "[ . 1 . 2]" 1
703 1 102 ILE H 1 103 GLU H 4.550 . 4.550 4.460 4.405 4.503 . 0 0 "[ . 1 . 2]" 1
704 1 41 ILE H 1 103 GLU H 5.250 . 5.250 5.007 4.896 5.110 . 0 0 "[ . 1 . 2]" 1
705 1 80 PHE H 1 82 GLY H 3.930 . 3.930 3.619 3.529 3.712 . 0 0 "[ . 1 . 2]" 1
706 1 103 GLU H 1 104 VAL H 4.440 . 4.440 4.366 4.225 4.499 0.059 12 0 "[ . 1 . 2]" 1
707 1 79 LEU HA 1 82 GLY H 5.760 . 5.760 4.626 4.390 4.861 . 0 0 "[ . 1 . 2]" 1
708 1 79 LEU HA 1 103 GLU H 6.000 . 6.000 4.913 4.821 5.108 . 0 0 "[ . 1 . 2]" 1
709 1 80 PHE HA 1 103 GLU H 3.960 . 3.960 2.942 2.777 3.081 . 0 0 "[ . 1 . 2]" 1
710 1 40 VAL HA 1 103 GLU H 5.310 . 5.310 5.280 5.182 5.345 0.035 18 0 "[ . 1 . 2]" 1
711 1 78 PHE HA 1 103 GLU H 5.220 . 5.220 4.784 4.600 4.964 . 0 0 "[ . 1 . 2]" 1
712 1 81 GLU HA 1 82 GLY H 3.290 . 3.290 2.862 2.789 2.924 . 0 0 "[ . 1 . 2]" 1
713 1 65 TYR H 1 73 MET QG 4.800 . 4.800 4.135 3.950 4.340 . 0 0 "[ . 1 . 2]" 1
714 1 103 GLU H 1 103 GLU HG2 3.910 . 3.910 3.288 2.844 3.399 . 0 0 "[ . 1 . 2]" 1
715 1 79 LEU HB2 1 103 GLU H 4.890 . 4.890 4.260 4.076 4.401 . 0 0 "[ . 1 . 2]" 1
716 1 79 LEU HB3 1 82 GLY H 3.570 . 3.570 3.069 2.774 3.405 . 0 0 "[ . 1 . 2]" 1
717 1 81 GLU HG2 1 82 GLY H 4.660 . 4.660 4.566 4.435 4.667 0.007 19 0 "[ . 1 . 2]" 1
718 1 101 VAL QG 1 103 GLU H 4.900 . 4.900 4.234 4.061 4.379 . 0 0 "[ . 1 . 2]" 1
719 1 78 PHE H 1 79 LEU H 4.610 . 4.610 4.184 4.094 4.249 . 0 0 "[ . 1 . 2]" 1
720 1 78 PHE H 1 105 TYR H 5.150 . 5.150 5.047 4.926 5.153 0.003 16 0 "[ . 1 . 2]" 1
721 1 78 PHE H 1 78 PHE HB2 3.890 . 3.890 2.479 2.447 2.531 . 0 0 "[ . 1 . 2]" 1
722 1 78 PHE H 1 78 PHE HB3 3.930 . 3.930 3.672 3.647 3.705 . 0 0 "[ . 1 . 2]" 1
723 1 38 LEU H 1 50 PHE H 3.980 . 3.980 2.728 2.579 2.841 . 0 0 "[ . 1 . 2]" 1
724 1 37 LYS QE 1 38 LEU H 5.620 . 5.620 5.659 4.722 5.927 0.307 17 0 "[ . 1 . 2]" 1
725 1 38 LEU H 1 38 LEU HB3 4.110 . 4.110 3.912 3.842 3.978 . 0 0 "[ . 1 . 2]" 1
726 1 79 LEU H 1 80 PHE H 4.520 . 4.520 4.338 4.285 4.418 . 0 0 "[ . 1 . 2]" 1
727 1 37 LYS HA 1 38 LEU H 3.560 . 3.560 2.226 2.142 2.338 . 0 0 "[ . 1 . 2]" 1
728 1 79 LEU HB3 1 80 PHE H 3.790 . 3.790 3.053 2.933 3.186 . 0 0 "[ . 1 . 2]" 1
729 1 77 ARG H 1 106 GLN H 4.930 . 4.930 4.894 4.834 4.941 0.011 16 0 "[ . 1 . 2]" 1
730 1 76 LEU H 1 77 ARG H 4.520 . 4.520 4.443 4.409 4.474 . 0 0 "[ . 1 . 2]" 1
731 1 77 ARG H 1 104 VAL HA 4.610 . 4.610 4.287 4.094 4.428 . 0 0 "[ . 1 . 2]" 1
732 1 72 PRO QD 1 73 MET H 5.100 . 5.100 4.826 4.779 4.888 . 0 0 "[ . 1 . 2]" 1
733 1 66 CYS HB3 1 73 MET H 5.110 . 5.110 4.623 4.122 4.806 . 0 0 "[ . 1 . 2]" 1
734 1 77 ARG H 1 105 TYR HB2 5.470 . 5.470 3.829 3.738 3.893 . 0 0 "[ . 1 . 2]" 1
735 1 72 PRO QB 1 73 MET H 3.620 . 3.620 3.609 3.515 3.678 0.058 8 0 "[ . 1 . 2]" 1
736 1 80 PHE H 1 83 GLN QG 4.220 . 4.220 4.210 4.122 4.318 0.098 4 0 "[ . 1 . 2]" 1
737 1 80 PHE H 1 102 ILE MG 4.250 . 4.250 3.742 3.551 3.907 . 0 0 "[ . 1 . 2]" 1
738 1 76 LEU HB3 1 77 ARG H 3.710 . 3.710 3.431 3.378 3.496 . 0 0 "[ . 1 . 2]" 1
739 1 85 ILE H 1 85 ILE QG 3.860 . 3.860 3.592 3.523 3.661 . 0 0 "[ . 1 . 2]" 1
740 1 84 ARG QB 1 85 ILE H 3.970 . 3.970 3.547 3.132 3.927 . 0 0 "[ . 1 . 2]" 1
741 1 41 ILE H 1 47 GLU HB2 5.610 . 5.610 4.822 4.661 5.087 . 0 0 "[ . 1 . 2]" 1
742 1 41 ILE H 1 103 GLU QB 6.000 . 6.000 5.052 4.786 5.247 . 0 0 "[ . 1 . 2]" 1
743 1 41 ILE H 1 41 ILE QG 3.950 . 3.950 2.613 2.479 2.734 . 0 0 "[ . 1 . 2]" 1
744 1 50 PHE H 1 50 PHE HB3 3.860 . 3.860 3.555 3.496 3.611 . 0 0 "[ . 1 . 2]" 1
745 1 40 VAL H 1 40 VAL HB 4.080 . 4.080 3.976 3.962 4.016 . 0 0 "[ . 1 . 2]" 1
746 1 38 LEU H 1 52 VAL H 4.370 . 4.370 4.394 4.209 4.507 0.137 9 0 "[ . 1 . 2]" 1
747 1 39 LYS H 1 102 ILE H 4.150 . 4.150 4.194 4.056 4.335 0.185 18 0 "[ . 1 . 2]" 1
748 1 35 TYR HA 1 36 ILE H 3.340 . 3.340 2.248 2.169 2.383 . 0 0 "[ . 1 . 2]" 1
749 1 36 ILE H 1 98 GLU HA 5.980 . 5.980 5.885 5.615 6.045 0.065 9 0 "[ . 1 . 2]" 1
750 1 35 TYR HB2 1 36 ILE H 4.130 . 4.130 3.837 2.862 4.163 0.033 4 0 "[ . 1 . 2]" 1
751 1 35 TYR HB3 1 36 ILE H 3.930 . 3.930 3.165 2.882 3.927 . 0 0 "[ . 1 . 2]" 1
752 1 34 GLU QB 1 36 ILE H 6.000 . 6.000 5.344 4.900 5.793 . 0 0 "[ . 1 . 2]" 1
753 1 36 ILE H 1 54 MET ME 6.000 . 6.000 5.435 5.036 5.759 . 0 0 "[ . 1 . 2]" 1
754 1 39 LYS QD 1 102 ILE H 4.020 . 4.020 3.825 3.668 4.049 0.029 20 0 "[ . 1 . 2]" 1
755 1 96 MET HA 1 97 GLU H 3.340 . 3.340 2.549 2.377 2.673 . 0 0 "[ . 1 . 2]" 1
756 1 97 GLU H 1 100 ASP HB3 4.720 . 4.720 4.134 3.822 4.491 . 0 0 "[ . 1 . 2]" 1
757 1 97 GLU H 1 97 GLU QG 4.240 . 4.240 3.399 2.207 4.268 0.028 17 0 "[ . 1 . 2]" 1
758 1 97 GLU H 1 97 GLU HB2 3.930 . 3.930 3.063 2.607 3.939 0.009 1 0 "[ . 1 . 2]" 1
759 1 58 LEU H 1 90 THR HA 4.270 . 4.270 3.524 3.343 3.798 . 0 0 "[ . 1 . 2]" 1
760 1 38 LEU HA 1 99 GLU H 4.700 . 4.700 2.782 2.319 3.200 . 0 0 "[ . 1 . 2]" 1
761 1 99 GLU H 1 100 ASP HA 5.500 . 5.500 5.211 4.809 5.318 . 0 0 "[ . 1 . 2]" 1
762 1 58 LEU H 1 89 HIS HB2 6.000 . 6.000 5.584 5.300 5.913 . 0 0 "[ . 1 . 2]" 1
763 1 37 LYS QE 1 99 GLU H 4.900 . 4.900 3.556 2.972 4.401 . 0 0 "[ . 1 . 2]" 1
764 1 99 GLU H 1 99 GLU QB 3.610 . 3.610 2.948 2.785 3.334 . 0 0 "[ . 1 . 2]" 1
765 1 56 THR MG 1 58 LEU H 4.540 . 4.540 4.142 3.972 4.359 . 0 0 "[ . 1 . 2]" 1
766 1 37 LYS QG 1 99 GLU H 4.140 . 4.140 2.895 1.987 4.053 . 0 0 "[ . 1 . 2]" 1
767 1 38 LEU HG 1 99 GLU H 4.650 . 4.650 3.265 2.592 4.134 . 0 0 "[ . 1 . 2]" 1
768 1 80 PHE H 1 81 GLU H 4.520 . 4.520 4.088 4.028 4.156 . 0 0 "[ . 1 . 2]" 1
769 1 80 PHE QD 1 81 GLU H 3.720 . 3.720 2.916 2.808 2.987 . 0 0 "[ . 1 . 2]" 1
770 1 81 GLU H 1 82 GLY HA2 5.450 . 5.450 5.293 5.221 5.338 . 0 0 "[ . 1 . 2]" 1
771 1 80 PHE HB3 1 81 GLU H 4.680 . 4.680 4.480 4.444 4.522 . 0 0 "[ . 1 . 2]" 1
772 1 81 GLU H 1 81 GLU HB2 4.120 . 4.120 3.943 3.912 3.967 . 0 0 "[ . 1 . 2]" 1
773 1 81 GLU H 1 102 ILE MG 4.900 . 4.900 4.588 4.287 4.759 . 0 0 "[ . 1 . 2]" 1
774 1 79 LEU H 1 103 GLU HA 5.090 . 5.090 4.880 4.799 4.936 . 0 0 "[ . 1 . 2]" 1
775 1 78 PHE HB2 1 79 LEU H 4.520 . 4.520 4.380 4.330 4.427 . 0 0 "[ . 1 . 2]" 1
776 1 78 PHE HB3 1 79 LEU H 4.300 . 4.300 3.565 3.452 3.653 . 0 0 "[ . 1 . 2]" 1
777 1 79 LEU H 1 103 GLU QB 4.430 . 4.430 3.747 3.522 3.891 . 0 0 "[ . 1 . 2]" 1
778 1 79 LEU H 1 79 LEU HB3 3.940 . 3.940 3.800 3.770 3.845 . 0 0 "[ . 1 . 2]" 1
779 1 79 LEU H 1 105 TYR QE 4.320 . 4.320 3.955 3.701 4.191 . 0 0 "[ . 1 . 2]" 1
780 1 79 LEU HA 1 105 TYR QE 5.290 . 5.290 5.058 4.866 5.249 . 0 0 "[ . 1 . 2]" 1
781 1 65 TYR HE2 1 73 MET ME 4.710 . 4.710 4.571 3.943 4.785 0.075 17 0 "[ . 1 . 2]" 1
782 1 103 GLU QB 1 105 TYR QE 2.990 . 2.990 2.024 1.808 2.284 . 0 0 "[ . 1 . 2]" 1
783 1 79 LEU HB2 1 105 TYR QE 3.120 . 3.120 2.149 1.967 2.307 . 0 0 "[ . 1 . 2]" 1
784 1 79 LEU HB3 1 105 TYR QE 3.700 . 3.700 3.614 3.465 3.712 0.012 16 0 "[ . 1 . 2]" 1
785 1 41 ILE QG 1 65 TYR HE2 5.330 . 5.330 5.432 5.327 5.546 0.216 9 0 "[ . 1 . 2]" 1
786 1 73 MET H 1 74 ASN HD22 4.500 . 4.500 4.633 4.533 4.744 0.244 8 0 "[ . 1 . 2]" 1
787 1 74 ASN HA 1 74 ASN HD22 3.960 . 3.960 3.776 3.550 4.152 0.192 20 0 "[ . 1 . 2]" 1
788 1 75 SER HA 1 106 GLN HE22 4.630 . 4.630 3.732 3.272 4.057 . 0 0 "[ . 1 . 2]" 1
789 1 106 GLN HA 1 106 GLN HE22 5.240 . 5.240 4.403 4.097 4.645 . 0 0 "[ . 1 . 2]" 1
790 1 65 TYR HA 1 69 GLN HE22 3.860 . 3.860 2.216 2.065 2.459 . 0 0 "[ . 1 . 2]" 1
791 1 65 TYR HB2 1 69 GLN HE22 4.730 . 4.730 4.481 4.234 4.703 . 0 0 "[ . 1 . 2]" 1
792 1 74 ASN HB2 1 74 ASN HD22 3.800 . 3.800 3.759 3.488 4.013 0.213 14 0 "[ . 1 . 2]" 1
793 1 106 GLN HE22 1 106 GLN QG 3.670 . 3.670 3.205 3.189 3.279 . 0 0 "[ . 1 . 2]" 1
794 1 67 GLN QB 1 67 GLN HE22 4.270 . 4.270 3.927 3.338 4.341 0.071 3 0 "[ . 1 . 2]" 1
795 1 35 TYR H 1 35 TYR QD 3.510 . 3.510 2.814 2.176 3.401 . 0 0 "[ . 1 . 2]" 1
796 1 106 GLN HE22 1 107 GLU H 3.910 . 3.910 3.896 3.413 3.997 0.087 14 0 "[ . 1 . 2]" 1
797 1 35 TYR HA 1 35 TYR QD 3.680 . 3.680 3.013 2.099 3.720 0.040 20 0 "[ . 1 . 2]" 1
798 1 75 SER HB3 1 106 GLN HE22 5.550 . 5.550 2.370 1.765 2.960 0.035 1 0 "[ . 1 . 2]" 1
799 1 68 ARG QB 1 69 GLN HE22 3.670 . 3.670 2.058 1.866 2.225 . 0 0 "[ . 1 . 2]" 1
800 1 68 ARG QG 1 69 GLN HE22 3.760 . 3.760 3.191 2.693 3.609 . 0 0 "[ . 1 . 2]" 1
801 1 69 GLN QB 1 69 GLN HE22 3.630 . 3.630 3.363 3.334 3.419 . 0 0 "[ . 1 . 2]" 1
802 1 79 LEU H 1 105 TYR QD 4.430 . 4.430 3.348 3.103 3.551 . 0 0 "[ . 1 . 2]" 1
803 1 77 ARG H 1 105 TYR QD 5.080 . 5.080 4.985 4.820 5.119 0.039 20 0 "[ . 1 . 2]" 1
804 1 105 TYR H 1 105 TYR QD 3.480 . 3.480 2.506 2.281 2.670 . 0 0 "[ . 1 . 2]" 1
805 1 104 VAL H 1 105 TYR QD 4.720 . 4.720 4.775 4.714 4.898 0.178 4 0 "[ . 1 . 2]" 1
806 1 79 LEU HA 1 105 TYR QD 5.300 . 5.300 5.032 4.918 5.157 . 0 0 "[ . 1 . 2]" 1
807 1 104 VAL HA 1 105 TYR QD 3.770 . 3.770 3.509 3.333 3.679 . 0 0 "[ . 1 . 2]" 1
808 1 57 HIS HD2 1 88 ASN HA 3.510 . 3.510 2.774 2.261 3.542 0.032 10 0 "[ . 1 . 2]" 1
809 1 35 TYR QD 1 53 LYS HA 4.550 . 4.550 2.908 1.921 4.262 . 0 0 "[ . 1 . 2]" 1
810 1 35 TYR QD 1 53 LYS QE 4.360 . 4.360 3.974 2.792 4.579 0.219 16 0 "[ . 1 . 2]" 1
811 1 79 LEU HB2 1 105 TYR QD 3.880 . 3.880 2.653 2.570 2.760 . 0 0 "[ . 1 . 2]" 1
812 1 35 TYR QD 1 53 LYS QD 4.720 . 4.720 4.204 2.719 4.945 0.225 8 0 "[ . 1 . 2]" 1
813 1 79 LEU HG 1 105 TYR QD 3.400 . 3.400 2.472 2.355 2.571 . 0 0 "[ . 1 . 2]" 1
814 1 79 LEU HB3 1 105 TYR QD 4.480 . 4.480 4.132 4.039 4.247 . 0 0 "[ . 1 . 2]" 1
815 1 43 GLN HE22 1 44 ASP H 5.230 . 5.230 3.327 2.986 3.623 . 0 0 "[ . 1 . 2]" 1
816 1 43 GLN HE22 1 44 ASP HB2 3.760 . 3.760 3.521 2.941 3.999 0.239 1 0 "[ . 1 . 2]" 1
817 1 83 GLN HE22 1 83 GLN QG 3.450 . 3.450 3.434 3.286 3.489 0.039 4 0 "[ . 1 . 2]" 1
818 1 83 GLN HB3 1 83 GLN HE22 4.520 . 4.520 3.571 3.388 4.117 . 0 0 "[ . 1 . 2]" 1
819 1 43 GLN H 1 43 GLN HE22 4.690 . 4.690 2.854 2.596 3.147 . 0 0 "[ . 1 . 2]" 1
820 1 43 GLN HE22 1 45 SER H 6.000 . 6.000 5.743 5.418 6.012 0.012 17 0 "[ . 1 . 2]" 1
821 1 85 ILE H 1 86 ALA H 4.660 . 4.660 4.007 3.930 4.113 . 0 0 "[ . 1 . 2]" 1
822 1 86 ALA H 1 89 HIS H 4.400 . 4.400 3.483 3.404 3.672 . 0 0 "[ . 1 . 2]" 1
823 1 86 ALA H 1 89 HIS HA 5.680 . 5.680 5.404 5.209 5.623 . 0 0 "[ . 1 . 2]" 1
824 1 86 ALA H 1 89 HIS HB2 4.490 . 4.490 3.207 3.036 3.483 . 0 0 "[ . 1 . 2]" 1
825 1 86 ALA H 1 89 HIS HB3 5.160 . 5.160 4.850 4.645 5.185 0.025 3 0 "[ . 1 . 2]" 1
826 1 85 ILE QG 1 86 ALA H 4.490 . 4.490 4.419 4.324 4.482 . 0 0 "[ . 1 . 2]" 1
827 1 84 ARG QG 1 86 ALA H 5.360 . 5.360 3.859 3.009 4.817 . 0 0 "[ . 1 . 2]" 1
828 1 57 HIS HD2 1 58 LEU H 4.210 . 4.210 4.191 4.014 4.314 0.104 3 0 "[ . 1 . 2]" 1
829 1 65 TYR QD 1 66 CYS H 3.690 . 3.690 3.610 3.489 3.727 0.037 2 0 "[ . 1 . 2]" 1
830 1 65 TYR QD 1 68 ARG H 4.910 . 4.910 4.868 4.736 4.967 0.057 17 0 "[ . 1 . 2]" 1
831 1 65 TYR QD 1 69 GLN H 4.410 . 4.410 3.643 3.469 3.755 . 0 0 "[ . 1 . 2]" 1
832 1 65 TYR QD 1 69 GLN HE22 3.800 . 3.800 3.640 3.341 3.817 0.017 19 0 "[ . 1 . 2]" 1
833 1 47 GLU HA 1 65 TYR QD 5.290 . 5.290 5.016 4.788 5.336 0.046 9 0 "[ . 1 . 2]" 1
834 1 65 TYR QD 1 73 MET HA 5.470 . 5.470 5.396 5.130 5.513 0.043 20 0 "[ . 1 . 2]" 1
835 1 48 ILE HA 1 65 TYR QD 5.710 . 5.710 5.592 5.318 5.807 0.097 9 0 "[ . 1 . 2]" 1
836 1 65 TYR QD 1 66 CYS HA 3.630 . 3.630 3.186 3.057 3.414 . 0 0 "[ . 1 . 2]" 1
837 1 65 TYR QD 1 68 ARG QB 4.760 . 4.760 4.651 4.446 4.829 0.069 1 0 "[ . 1 . 2]" 1
838 1 65 TYR QD 1 71 VAL MG2 3.090 . 3.090 2.618 2.383 2.767 . 0 0 "[ . 1 . 2]" 1
839 1 48 ILE MG 1 65 TYR QD 3.060 . 3.060 2.061 1.983 2.227 . 0 0 "[ . 1 . 2]" 1
840 1 40 VAL MG2 1 65 TYR QD 3.320 . 3.320 2.251 2.173 2.289 . 0 0 "[ . 1 . 2]" 1
841 1 62 LYS QG 1 65 TYR QD 6.000 . 6.000 5.472 5.229 5.942 . 0 0 "[ . 1 . 2]" 1
842 1 40 VAL H 1 65 TYR HE2 5.080 . 5.080 4.928 4.768 5.064 . 0 0 "[ . 1 . 2]" 1
843 1 41 ILE H 1 65 TYR HE2 5.490 . 5.490 4.877 4.711 5.059 . 0 0 "[ . 1 . 2]" 1
844 1 48 ILE H 1 65 TYR HE2 3.970 . 3.970 3.717 3.555 4.033 0.063 9 0 "[ . 1 . 2]" 1
845 1 47 GLU HA 1 65 TYR HE2 4.450 . 4.450 3.258 2.966 3.799 . 0 0 "[ . 1 . 2]" 1
846 1 41 ILE HA 1 65 TYR HE2 4.520 . 4.520 3.783 3.650 3.955 . 0 0 "[ . 1 . 2]" 1
847 1 88 ASN HA 1 88 ASN HD22 5.040 . 5.040 5.187 4.756 5.325 0.285 3 0 "[ . 1 . 2]" 1
848 1 42 GLY QA 1 65 TYR HE2 4.820 . 4.820 4.213 3.974 4.465 . 0 0 "[ . 1 . 2]" 1
849 1 40 VAL MG2 1 65 TYR HE2 3.270 . 3.270 1.886 1.788 1.971 0.012 9 0 "[ . 1 . 2]" 1
850 1 50 PHE H 1 50 PHE QD 3.430 . 3.430 3.256 3.182 3.337 . 0 0 "[ . 1 . 2]" 1
851 1 38 LEU H 1 50 PHE QD 4.710 . 4.710 3.504 3.258 3.669 . 0 0 "[ . 1 . 2]" 1
852 1 49 HIS HD2 1 50 PHE QD 6.000 . 6.000 5.780 5.661 5.968 . 0 0 "[ . 1 . 2]" 1
853 1 50 PHE QD 1 61 LEU H 6.000 . 6.000 5.813 5.590 6.003 0.003 16 0 "[ . 1 . 2]" 1
854 1 49 HIS HA 1 50 PHE QD 3.890 . 3.890 3.833 3.727 3.931 0.041 16 0 "[ . 1 . 2]" 1
855 1 37 LYS HA 1 50 PHE QD 4.920 . 4.920 4.201 4.013 4.387 . 0 0 "[ . 1 . 2]" 1
856 1 39 LYS HA 1 50 PHE QD 4.730 . 4.730 4.509 4.334 4.654 . 0 0 "[ . 1 . 2]" 1
857 1 50 PHE QD 1 61 LEU HA 4.300 . 4.300 4.275 4.117 4.402 0.102 16 0 "[ . 1 . 2]" 1
858 1 50 PHE QD 1 65 TYR HB2 5.860 . 5.860 5.185 4.994 5.509 . 0 0 "[ . 1 . 2]" 1
859 1 38 LEU HB2 1 50 PHE HE1 4.030 . 4.030 2.310 2.163 2.506 . 0 0 "[ . 1 . 2]" 1
860 1 50 PHE QD 1 52 VAL MG1 2.900 . 2.900 1.946 1.875 2.056 . 0 0 "[ . 1 . 2]" 1
861 1 48 ILE MG 1 50 PHE QD 3.430 . 3.430 2.245 2.064 2.367 . 0 0 "[ . 1 . 2]" 1
862 1 80 PHE QD 1 103 GLU H 4.630 . 4.630 4.301 4.136 4.467 . 0 0 "[ . 1 . 2]" 1
863 1 80 PHE QD 1 101 VAL H 4.660 . 4.660 4.592 4.338 4.803 0.143 3 0 "[ . 1 . 2]" 1
864 1 80 PHE HA 1 80 PHE QD 3.320 . 3.320 2.232 2.160 2.305 . 0 0 "[ . 1 . 2]" 1
865 1 80 PHE QD 1 94 LEU HA 4.220 . 4.220 4.028 3.842 4.218 . 0 0 "[ . 1 . 2]" 1
866 1 80 PHE QD 1 96 MET QG 4.950 . 4.950 4.309 3.286 4.644 . 0 0 "[ . 1 . 2]" 1
867 1 80 PHE QD 1 96 MET ME 5.430 . 5.430 4.675 4.239 4.985 . 0 0 "[ . 1 . 2]" 1
868 1 80 PHE QD 1 85 ILE QG 4.760 . 4.760 4.713 4.623 4.856 0.096 12 0 "[ . 1 . 2]" 1
869 1 80 PHE QD 1 81 GLU HB2 4.970 . 4.970 4.999 4.935 5.032 0.062 2 0 "[ . 1 . 2]" 1
870 1 80 PHE QD 1 94 LEU QB 4.080 . 4.080 2.061 1.926 2.231 . 0 0 "[ . 1 . 2]" 1
871 1 80 PHE QD 1 81 GLU HB3 3.820 . 3.820 3.500 3.415 3.588 . 0 0 "[ . 1 . 2]" 1
872 1 80 PHE QD 1 81 GLU HG2 4.100 . 4.100 3.164 3.016 3.342 . 0 0 "[ . 1 . 2]" 1
873 1 80 PHE QD 1 101 VAL QG 4.250 . 4.250 3.839 3.670 4.046 . 0 0 "[ . 1 . 2]" 1
874 1 80 PHE QD 1 85 ILE MD 3.740 . 3.740 3.485 3.368 3.605 . 0 0 "[ . 1 . 2]" 1
875 1 80 PHE QD 1 102 ILE MD 4.110 . 4.110 2.576 2.405 2.732 . 0 0 "[ . 1 . 2]" 1
876 1 79 LEU H 1 104 VAL MG2 4.260 . 4.260 3.852 3.747 3.960 . 0 0 "[ . 1 . 2]" 1
877 1 41 ILE H 1 104 VAL MG2 4.120 . 4.120 3.635 3.359 3.788 . 0 0 "[ . 1 . 2]" 1
878 1 78 PHE H 1 104 VAL MG2 4.710 . 4.710 4.691 4.503 4.761 0.051 13 0 "[ . 1 . 2]" 1
879 1 103 GLU H 1 104 VAL MG2 4.530 . 4.530 4.395 4.300 4.527 . 0 0 "[ . 1 . 2]" 1
880 1 104 VAL MG2 1 105 TYR H 4.080 . 4.080 4.051 3.997 4.107 0.027 1 0 "[ . 1 . 2]" 1
881 1 78 PHE QD 1 104 VAL MG2 4.300 . 4.300 2.802 2.640 2.895 . 0 0 "[ . 1 . 2]" 1
882 1 65 TYR HE1 1 104 VAL MG2 5.910 . 5.910 5.472 5.178 5.728 . 0 0 "[ . 1 . 2]" 1
883 1 40 VAL HA 1 104 VAL MG2 4.890 . 4.890 4.479 4.286 4.647 . 0 0 "[ . 1 . 2]" 1
884 1 41 ILE HA 1 104 VAL MG2 5.190 . 5.190 4.445 4.301 4.542 . 0 0 "[ . 1 . 2]" 1
885 1 78 PHE HA 1 104 VAL MG2 3.730 . 3.730 2.579 2.436 2.680 . 0 0 "[ . 1 . 2]" 1
886 1 104 VAL HA 1 104 VAL MG2 3.450 . 3.450 2.366 2.350 2.385 . 0 0 "[ . 1 . 2]" 1
887 1 42 GLY QA 1 104 VAL MG2 4.120 . 4.120 2.995 2.887 3.167 . 0 0 "[ . 1 . 2]" 1
888 1 78 PHE HB3 1 104 VAL MG2 4.220 . 4.220 3.604 3.370 3.750 . 0 0 "[ . 1 . 2]" 1
889 1 40 VAL HB 1 104 VAL MG2 4.130 . 4.130 2.890 2.702 3.074 . 0 0 "[ . 1 . 2]" 1
890 1 73 MET ME 1 104 VAL MG2 4.510 . 4.510 3.856 3.221 4.052 . 0 0 "[ . 1 . 2]" 1
891 1 103 GLU QB 1 104 VAL MG2 4.680 . 4.680 4.587 4.456 4.721 0.041 2 0 "[ . 1 . 2]" 1
892 1 102 ILE HB 1 104 VAL MG2 4.320 . 4.320 3.889 3.694 4.092 . 0 0 "[ . 1 . 2]" 1
893 1 76 LEU HB2 1 104 VAL MG2 4.510 . 4.510 4.504 4.440 4.557 0.047 9 0 "[ . 1 . 2]" 1
894 1 41 ILE QG 1 104 VAL MG2 6.000 . 6.000 5.399 5.215 5.510 . 0 0 "[ . 1 . 2]" 1
895 1 101 VAL QG 1 104 VAL MG2 6.000 . 6.000 5.402 5.222 5.595 . 0 0 "[ . 1 . 2]" 1
896 1 76 LEU QD 1 104 VAL MG2 3.460 . 3.460 3.498 3.469 3.536 0.076 17 0 "[ . 1 . 2]" 1
897 1 40 VAL MG2 1 104 VAL MG2 2.830 . 2.830 2.744 2.314 2.876 0.046 12 0 "[ . 1 . 2]" 1
898 1 77 ARG H 1 104 VAL MG1 3.850 . 3.850 3.088 2.908 3.207 . 0 0 "[ . 1 . 2]" 1
899 1 43 GLN H 1 104 VAL MG1 4.000 . 4.000 3.409 3.218 3.520 . 0 0 "[ . 1 . 2]" 1
900 1 104 VAL MG1 1 105 TYR H 3.440 . 3.440 2.903 2.708 3.077 . 0 0 "[ . 1 . 2]" 1
901 1 104 VAL MG1 1 107 GLU H 5.550 . 5.550 5.404 5.239 5.628 0.078 12 0 "[ . 1 . 2]" 1
902 1 44 ASP H 1 104 VAL MG1 4.940 . 4.940 4.835 4.645 4.946 0.006 12 0 "[ . 1 . 2]" 1
903 1 61 LEU MD2 1 62 LYS H 3.780 . 3.780 3.887 3.820 3.946 0.166 18 0 "[ . 1 . 2]" 1
904 1 78 PHE QD 1 104 VAL MG1 4.230 . 4.230 3.352 3.111 3.610 . 0 0 "[ . 1 . 2]" 1
905 1 78 PHE HE1 1 104 VAL MG1 4.400 . 4.400 3.341 3.060 3.720 . 0 0 "[ . 1 . 2]" 1
906 1 43 GLN HE22 1 104 VAL MG1 4.340 . 4.340 2.913 2.250 3.384 . 0 0 "[ . 1 . 2]" 1
907 1 61 LEU H 1 61 LEU MD2 3.780 . 3.780 3.151 2.971 3.293 . 0 0 "[ . 1 . 2]" 1
908 1 76 LEU HA 1 104 VAL MG1 4.090 . 4.090 4.135 4.089 4.183 0.093 5 0 "[ . 1 . 2]" 1
909 1 42 GLY QA 1 104 VAL MG1 3.370 . 3.370 2.917 2.814 3.001 . 0 0 "[ . 1 . 2]" 1
910 1 59 LYS HA 1 61 LEU MD2 4.990 . 4.990 5.038 4.954 5.091 0.101 13 0 "[ . 1 . 2]" 1
911 1 77 ARG QD 1 104 VAL MG1 4.450 . 4.450 4.445 4.380 4.494 0.044 6 0 "[ . 1 . 2]" 1
912 1 50 PHE HB3 1 61 LEU MD2 5.300 . 5.300 5.406 5.311 5.505 0.205 11 0 "[ . 1 . 2]" 1
913 1 58 LEU QB 1 61 LEU MD2 3.780 . 3.780 1.941 1.829 2.007 . 0 0 "[ . 1 . 2]" 1
914 1 76 LEU HB2 1 104 VAL MG1 3.450 . 3.450 1.990 1.922 2.029 . 0 0 "[ . 1 . 2]" 1
915 1 61 LEU MD2 1 62 LYS QD 3.370 . 3.370 3.313 3.125 3.389 0.019 11 0 "[ . 1 . 2]" 1
916 1 76 LEU HG 1 104 VAL MG1 2.720 . 2.720 2.086 1.993 2.144 . 0 0 "[ . 1 . 2]" 1
917 1 76 LEU HB3 1 104 VAL MG1 3.180 . 3.180 3.100 3.058 3.155 . 0 0 "[ . 1 . 2]" 1
918 1 58 LEU QD 1 61 LEU MD2 2.860 . 2.860 1.928 1.882 2.008 . 0 0 "[ . 1 . 2]" 1
919 1 76 LEU QD 1 104 VAL MG1 3.170 . 3.170 2.045 1.966 2.089 . 0 0 "[ . 1 . 2]" 1
920 1 58 LEU H 1 61 LEU HG 6.000 . 6.000 5.843 5.777 5.964 . 0 0 "[ . 1 . 2]" 1
921 1 80 PHE H 1 94 LEU MD2 4.540 . 4.540 4.185 3.953 4.316 . 0 0 "[ . 1 . 2]" 1
922 1 83 GLN H 1 94 LEU MD2 5.090 . 5.090 4.777 4.545 4.902 . 0 0 "[ . 1 . 2]" 1
923 1 61 LEU HG 1 62 LYS H 4.010 . 4.010 2.249 2.165 2.326 . 0 0 "[ . 1 . 2]" 1
924 1 80 PHE QD 1 94 LEU MD2 3.620 . 3.620 2.383 2.210 2.604 . 0 0 "[ . 1 . 2]" 1
925 1 80 PHE QE 1 94 LEU MD2 4.520 . 4.520 4.199 4.038 4.433 . 0 0 "[ . 1 . 2]" 1
926 1 90 THR H 1 94 LEU MD2 4.960 . 4.960 4.442 4.381 4.498 . 0 0 "[ . 1 . 2]" 1
927 1 61 LEU H 1 61 LEU HG 3.830 . 3.830 2.563 2.468 2.661 . 0 0 "[ . 1 . 2]" 1
928 1 79 LEU HA 1 94 LEU MD2 5.320 . 5.320 5.295 5.032 5.420 0.100 1 0 "[ . 1 . 2]" 1
929 1 83 GLN HA 1 94 LEU MD2 5.070 . 5.070 4.328 4.052 4.509 . 0 0 "[ . 1 . 2]" 1
930 1 85 ILE HA 1 94 LEU MD2 4.250 . 4.250 3.947 3.663 4.157 . 0 0 "[ . 1 . 2]" 1
931 1 89 HIS HB2 1 94 LEU MD2 4.130 . 4.130 3.732 3.503 3.906 . 0 0 "[ . 1 . 2]" 1
932 1 61 LEU HG 1 62 LYS HA 4.380 . 4.380 3.861 3.730 3.944 . 0 0 "[ . 1 . 2]" 1
933 1 89 HIS HB3 1 94 LEU MD2 3.850 . 3.850 2.934 2.691 3.087 . 0 0 "[ . 1 . 2]" 1
934 1 80 PHE HB3 1 94 LEU MD2 4.270 . 4.270 2.698 2.501 2.865 . 0 0 "[ . 1 . 2]" 1
935 1 83 GLN QG 1 94 LEU MD2 3.940 . 3.940 2.666 2.429 2.888 . 0 0 "[ . 1 . 2]" 1
936 1 93 GLU HB3 1 94 LEU MD2 4.500 . 4.500 4.165 3.955 4.386 . 0 0 "[ . 1 . 2]" 1
937 1 85 ILE QG 1 94 LEU MD2 4.180 . 4.180 2.175 2.010 2.368 . 0 0 "[ . 1 . 2]" 1
938 1 61 LEU HG 1 62 LYS QG 5.130 . 5.130 4.317 4.187 4.398 . 0 0 "[ . 1 . 2]" 1
939 1 40 VAL H 1 40 VAL MG2 3.460 . 3.460 2.593 2.500 2.694 . 0 0 "[ . 1 . 2]" 1
940 1 40 VAL MG2 1 42 GLY H 4.720 . 4.720 4.542 4.365 4.712 . 0 0 "[ . 1 . 2]" 1
941 1 40 VAL HA 1 40 VAL MG2 3.250 . 3.250 3.184 3.160 3.197 . 0 0 "[ . 1 . 2]" 1
942 1 40 VAL MG2 1 103 GLU HA 5.480 . 5.480 5.330 4.978 5.546 0.066 18 0 "[ . 1 . 2]" 1
943 1 39 LYS HA 1 40 VAL MG2 4.370 . 4.370 4.115 3.993 4.377 0.007 17 0 "[ . 1 . 2]" 1
944 1 40 VAL MG2 1 65 TYR HB2 4.810 . 4.810 3.906 3.788 3.979 . 0 0 "[ . 1 . 2]" 1
945 1 40 VAL MG2 1 47 GLU HB2 4.920 . 4.920 4.324 4.195 4.537 . 0 0 "[ . 1 . 2]" 1
946 1 58 LEU QB 1 61 LEU HG 3.480 . 3.480 2.977 2.903 3.048 . 0 0 "[ . 1 . 2]" 1
947 1 40 VAL MG2 1 41 ILE QG 4.310 . 4.310 4.345 4.274 4.390 0.080 5 0 "[ . 1 . 2]" 1
948 1 36 ILE H 1 36 ILE MD 4.010 . 4.010 3.562 2.715 3.843 . 0 0 "[ . 1 . 2]" 1
949 1 36 ILE MD 1 38 LEU H 4.960 . 4.960 4.813 4.337 5.011 0.051 7 0 "[ . 1 . 2]" 1
950 1 36 ILE MD 1 37 LYS H 3.850 . 3.850 3.883 3.521 4.038 0.188 13 0 "[ . 1 . 2]" 1
951 1 36 ILE MD 1 50 PHE QD 5.410 . 5.410 5.303 4.853 5.507 0.097 10 0 "[ . 1 . 2]" 1
952 1 36 ILE MD 1 50 PHE HE1 5.780 . 5.780 4.913 4.695 5.034 . 0 0 "[ . 1 . 2]" 1
953 1 36 ILE MD 1 37 LYS HA 5.210 . 5.210 4.417 3.691 4.821 . 0 0 "[ . 1 . 2]" 1
954 1 35 TYR HA 1 36 ILE MD 5.580 . 5.580 5.122 4.422 5.505 . 0 0 "[ . 1 . 2]" 1
955 1 36 ILE MD 1 38 LEU HA 4.620 . 4.620 4.683 4.397 4.758 0.138 8 0 "[ . 1 . 2]" 1
956 1 36 ILE MD 1 98 GLU HA 3.560 . 3.560 2.428 2.256 2.704 . 0 0 "[ . 1 . 2]" 1
957 1 36 ILE MD 1 54 MET HA 4.600 . 4.600 3.779 3.395 4.178 . 0 0 "[ . 1 . 2]" 1
958 1 36 ILE MD 1 53 LYS HA 5.820 . 5.820 5.436 4.566 5.840 0.020 13 0 "[ . 1 . 2]" 1
959 1 36 ILE MD 1 91 PRO QD 6.000 . 6.000 4.947 4.632 5.122 . 0 0 "[ . 1 . 2]" 1
960 1 35 TYR HB3 1 36 ILE MD 6.000 . 6.000 6.104 5.742 6.274 0.274 19 0 "[ . 1 . 2]" 1
961 1 36 ILE MD 1 91 PRO QB 3.390 . 3.390 2.702 2.517 2.882 . 0 0 "[ . 1 . 2]" 1
962 1 36 ILE MD 1 96 MET ME 3.970 . 3.970 3.449 3.072 3.731 . 0 0 "[ . 1 . 2]" 1
963 1 36 ILE MD 1 98 GLU HB3 4.070 . 4.070 3.404 3.158 3.939 . 0 0 "[ . 1 . 2]" 1
964 1 36 ILE HB 1 36 ILE MD 3.170 . 3.170 2.238 2.171 2.343 . 0 0 "[ . 1 . 2]" 1
965 1 94 LEU H 1 94 LEU MD1 3.580 . 3.580 3.333 3.260 3.406 . 0 0 "[ . 1 . 2]" 1
966 1 80 PHE QD 1 94 LEU MD1 3.550 . 3.550 2.996 2.764 3.233 . 0 0 "[ . 1 . 2]" 1
967 1 90 THR H 1 94 LEU MD1 3.960 . 3.960 4.004 3.963 4.049 0.089 14 0 "[ . 1 . 2]" 1
968 1 79 LEU HA 1 94 LEU MD1 6.000 . 6.000 5.975 5.797 6.069 0.069 20 0 "[ . 1 . 2]" 1
969 1 91 PRO HA 1 94 LEU MD1 3.280 . 3.280 2.235 2.035 2.353 . 0 0 "[ . 1 . 2]" 1
970 1 80 PHE HB2 1 94 LEU MD1 4.030 . 4.030 3.394 3.123 3.633 . 0 0 "[ . 1 . 2]" 1
971 1 89 HIS HB3 1 94 LEU MD1 3.470 . 3.470 2.553 2.389 2.761 . 0 0 "[ . 1 . 2]" 1
972 1 80 PHE HB3 1 94 LEU MD1 3.850 . 3.850 3.378 3.202 3.504 . 0 0 "[ . 1 . 2]" 1
973 1 83 GLN QG 1 94 LEU MD1 4.570 . 4.570 4.502 4.274 4.615 0.045 17 0 "[ . 1 . 2]" 1
974 1 79 LEU H 1 79 LEU MD2 3.810 . 3.810 3.483 3.401 3.548 . 0 0 "[ . 1 . 2]" 1
975 1 79 LEU MD2 1 80 PHE H 3.740 . 3.740 3.747 3.660 3.850 0.110 4 0 "[ . 1 . 2]" 1
976 1 38 LEU HG 1 100 ASP H 4.580 . 4.580 2.967 2.724 3.939 . 0 0 "[ . 1 . 2]" 1
977 1 61 LEU MD1 1 62 LYS H 4.390 . 4.390 3.074 2.948 3.249 . 0 0 "[ . 1 . 2]" 1
978 1 50 PHE HE2 1 61 LEU MD1 4.260 . 4.260 2.300 2.202 2.390 . 0 0 "[ . 1 . 2]" 1
979 1 50 PHE QD 1 61 LEU MD1 3.860 . 3.860 3.701 3.612 3.829 . 0 0 "[ . 1 . 2]" 1
980 1 79 LEU HA 1 79 LEU MD2 3.060 . 3.060 2.159 2.113 2.195 . 0 0 "[ . 1 . 2]" 1
981 1 38 LEU HA 1 38 LEU HG 3.430 . 3.430 2.667 2.620 2.843 . 0 0 "[ . 1 . 2]" 1
982 1 58 LEU HA 1 61 LEU MD1 5.140 . 5.140 4.851 4.701 4.988 . 0 0 "[ . 1 . 2]" 1
983 1 59 LYS HA 1 61 LEU MD1 5.730 . 5.730 5.185 5.075 5.343 . 0 0 "[ . 1 . 2]" 1
984 1 77 ARG QD 1 79 LEU MD2 4.240 . 4.240 4.203 4.055 4.338 0.098 10 0 "[ . 1 . 2]" 1
985 1 61 LEU MD1 1 62 LYS QE 4.190 . 4.190 3.250 2.995 3.465 . 0 0 "[ . 1 . 2]" 1
986 1 79 LEU MD2 1 84 ARG QB 3.470 . 3.470 2.837 2.239 3.367 . 0 0 "[ . 1 . 2]" 1
987 1 77 ARG QG 1 79 LEU MD2 2.930 . 2.930 2.301 2.089 2.423 . 0 0 "[ . 1 . 2]" 1
988 1 79 LEU HB3 1 79 LEU MD2 3.100 . 3.100 2.413 2.382 2.441 . 0 0 "[ . 1 . 2]" 1
989 1 36 ILE MD 1 38 LEU HG 3.200 . 3.200 2.409 2.261 2.533 . 0 0 "[ . 1 . 2]" 1
990 1 79 LEU H 1 102 ILE MD 5.400 . 5.400 5.408 5.292 5.442 0.042 14 0 "[ . 1 . 2]" 1
991 1 102 ILE H 1 102 ILE MD 3.900 . 3.900 3.593 3.469 3.720 . 0 0 "[ . 1 . 2]" 1
992 1 80 PHE H 1 102 ILE MD 4.610 . 4.610 4.340 4.155 4.481 . 0 0 "[ . 1 . 2]" 1
993 1 102 ILE MD 1 103 GLU H 4.180 . 4.180 3.821 3.754 3.955 . 0 0 "[ . 1 . 2]" 1
994 1 80 PHE HA 1 102 ILE MD 4.510 . 4.510 3.067 2.871 3.201 . 0 0 "[ . 1 . 2]" 1
995 1 40 VAL HA 1 48 ILE MG 5.410 . 5.410 4.834 4.620 4.974 . 0 0 "[ . 1 . 2]" 1
996 1 40 VAL HA 1 102 ILE MD 5.840 . 5.840 5.032 4.970 5.095 . 0 0 "[ . 1 . 2]" 1
997 1 80 PHE HB2 1 102 ILE MD 3.960 . 3.960 1.876 1.799 1.971 0.001 2 0 "[ . 1 . 2]" 1
998 1 102 ILE HB 1 102 ILE MD 3.230 . 3.230 3.238 3.229 3.243 0.013 5 0 "[ . 1 . 2]" 1
999 1 102 ILE MD 1 102 ILE MG 2.700 . 2.700 1.984 1.957 2.033 . 0 0 "[ . 1 . 2]" 1
1000 1 40 VAL H 1 48 ILE MG 3.920 . 3.920 3.118 2.960 3.247 . 0 0 "[ . 1 . 2]" 1
1001 1 48 ILE H 1 48 ILE MG 3.150 . 3.150 2.393 2.194 2.455 . 0 0 "[ . 1 . 2]" 1
1002 1 48 ILE QG 1 48 ILE MG 3.040 . 3.040 2.155 2.015 2.245 . 0 0 "[ . 1 . 2]" 1
1003 1 79 LEU H 1 85 ILE MD 4.640 . 4.640 4.170 4.034 4.322 . 0 0 "[ . 1 . 2]" 1
1004 1 58 LEU H 1 58 LEU QD 3.720 . 3.720 2.904 2.843 2.999 . 0 0 "[ . 1 . 2]" 1
1005 1 52 VAL H 1 52 VAL MG2 3.270 . 3.270 2.058 1.971 2.229 . 0 0 "[ . 1 . 2]" 1
1006 1 80 PHE H 1 85 ILE MD 3.180 . 3.180 2.287 2.082 2.461 . 0 0 "[ . 1 . 2]" 1
1007 1 52 VAL MG2 1 53 LYS H 3.630 . 3.630 2.834 2.657 2.997 . 0 0 "[ . 1 . 2]" 1
1008 1 83 GLN H 1 85 ILE MD 3.880 . 3.880 3.997 3.921 4.046 0.166 17 0 "[ . 1 . 2]" 1
1009 1 85 ILE MD 1 89 HIS HE1 4.930 . 4.930 4.897 4.524 4.988 0.058 1 0 "[ . 1 . 2]" 1
1010 1 50 PHE QD 1 52 VAL MG2 3.980 . 3.980 2.989 2.714 3.644 . 0 0 "[ . 1 . 2]" 1
1011 1 50 PHE HE1 1 52 VAL MG2 4.340 . 4.340 3.242 2.890 3.635 . 0 0 "[ . 1 . 2]" 1
1012 1 43 GLN HE22 1 76 LEU QD 4.460 . 4.460 2.713 2.451 2.969 . 0 0 "[ . 1 . 2]" 1
1013 1 79 LEU HA 1 85 ILE MD 3.180 . 3.180 2.474 2.387 2.528 . 0 0 "[ . 1 . 2]" 1
1014 1 58 LEU QD 1 90 THR HA 3.480 . 3.480 3.126 3.041 3.222 . 0 0 "[ . 1 . 2]" 1
1015 1 52 VAL HA 1 52 VAL MG2 3.360 . 3.360 3.215 3.206 3.219 . 0 0 "[ . 1 . 2]" 1
1016 1 76 LEU QD 1 77 ARG HA 3.610 . 3.610 3.523 3.310 3.655 0.045 20 0 "[ . 1 . 2]" 1
1017 1 76 LEU QD 1 106 GLN HA 3.440 . 3.440 3.438 3.340 3.495 0.055 2 0 "[ . 1 . 2]" 1
1018 1 84 ARG HA 1 85 ILE MD 3.410 . 3.410 3.002 2.776 3.216 . 0 0 "[ . 1 . 2]" 1
1019 1 58 LEU QD 1 91 PRO HA 3.670 . 3.670 3.124 2.920 3.266 . 0 0 "[ . 1 . 2]" 1
1020 1 58 LEU HA 1 58 LEU QD 3.710 . 3.710 1.993 1.962 2.010 . 0 0 "[ . 1 . 2]" 1
1021 1 58 LEU QD 1 91 PRO QD 3.440 . 3.440 1.994 1.867 2.105 . 0 0 "[ . 1 . 2]" 1
1022 1 48 ILE MG 1 65 TYR HB2 4.360 . 4.360 2.712 2.533 2.903 . 0 0 "[ . 1 . 2]" 1
1023 1 80 PHE HB2 1 85 ILE MD 3.290 . 3.290 2.661 2.473 2.825 . 0 0 "[ . 1 . 2]" 1
1024 1 58 LEU QD 1 89 HIS HB3 3.990 . 3.990 2.734 2.599 2.882 . 0 0 "[ . 1 . 2]" 1
1025 1 76 LEU QD 1 106 GLN QG 4.160 . 4.160 3.343 2.364 4.332 0.172 5 0 "[ . 1 . 2]" 1
1026 1 76 LEU HB2 1 76 LEU QD 3.000 . 3.000 2.427 2.409 2.484 . 0 0 "[ . 1 . 2]" 1
1027 1 38 LEU QD 1 52 VAL MG2 2.690 . 2.690 1.940 1.843 2.061 . 0 0 "[ . 1 . 2]" 1
1028 1 58 LEU QD 1 85 ILE MG 2.920 . 2.920 1.825 1.782 1.865 0.018 20 0 "[ . 1 . 2]" 1
1029 1 80 PHE HB3 1 85 ILE MD 3.590 . 3.590 2.156 2.068 2.249 . 0 0 "[ . 1 . 2]" 1
1030 1 48 ILE MD 1 65 TYR H 4.550 . 4.550 3.775 3.328 4.461 . 0 0 "[ . 1 . 2]" 1
1031 1 48 ILE MD 1 49 HIS H 3.920 . 3.920 3.555 2.713 3.968 0.048 15 0 "[ . 1 . 2]" 1
1032 1 48 ILE MD 1 69 GLN HE21 4.480 . 4.480 3.345 3.237 3.681 . 0 0 "[ . 1 . 2]" 1
1033 1 69 GLN HE21 1 71 VAL MG2 4.990 . 4.990 3.644 3.528 3.796 . 0 0 "[ . 1 . 2]" 1
1034 1 76 LEU H 1 76 LEU HB3 3.360 . 3.360 3.422 3.375 3.474 0.114 10 0 "[ . 1 . 2]" 1
1035 1 43 GLN HE22 1 76 LEU HB3 4.660 . 4.660 3.335 2.766 3.857 . 0 0 "[ . 1 . 2]" 1
1036 1 48 ILE MD 1 69 GLN HE22 3.450 . 3.450 1.862 1.724 2.244 0.076 20 0 "[ . 1 . 2]" 1
1037 1 76 LEU HB3 1 106 GLN HA 3.720 . 3.720 1.862 1.785 1.906 0.015 15 0 "[ . 1 . 2]" 1
1038 1 75 SER HB2 1 76 LEU HB3 4.610 . 4.610 4.409 4.216 4.556 . 0 0 "[ . 1 . 2]" 1
1039 1 48 ILE MD 1 65 TYR HA 3.620 . 3.620 2.272 1.987 2.543 . 0 0 "[ . 1 . 2]" 1
1040 1 66 CYS HA 1 71 VAL MG2 3.000 . 3.000 3.013 2.811 3.064 0.064 14 0 "[ . 1 . 2]" 1
1041 1 71 VAL MG2 1 72 PRO QD 3.630 . 3.630 3.551 3.399 3.685 0.055 1 0 "[ . 1 . 2]" 1
1042 1 44 ASP HB3 1 71 VAL MG2 5.180 . 5.180 4.059 3.863 4.233 . 0 0 "[ . 1 . 2]" 1
1043 1 48 ILE MD 1 50 PHE HB3 5.080 . 5.080 4.120 3.546 4.721 . 0 0 "[ . 1 . 2]" 1
1044 1 43 GLN QG 1 76 LEU HB3 4.830 . 4.830 4.442 4.189 4.811 . 0 0 "[ . 1 . 2]" 1
1045 1 48 ILE HB 1 48 ILE MD 2.940 . 2.940 2.291 2.249 2.324 . 0 0 "[ . 1 . 2]" 1
1046 1 36 ILE H 1 36 ILE MG 3.240 . 3.240 2.999 2.734 3.317 0.077 20 0 "[ . 1 . 2]" 1
1047 1 85 ILE H 1 85 ILE MG 3.890 . 3.890 3.800 3.771 3.834 . 0 0 "[ . 1 . 2]" 1
1048 1 38 LEU H 1 38 LEU QD 3.520 . 3.520 2.459 2.142 3.191 . 0 0 "[ . 1 . 2]" 1
1049 1 36 ILE MG 1 98 GLU H 3.560 . 3.560 3.112 2.715 3.470 . 0 0 "[ . 1 . 2]" 1
1050 1 38 LEU QD 1 100 ASP H 3.340 . 3.340 2.817 2.243 3.022 . 0 0 "[ . 1 . 2]" 1
1051 1 37 LYS HA 1 38 LEU QD 3.760 . 3.760 2.781 2.508 3.728 . 0 0 "[ . 1 . 2]" 1
1052 1 35 TYR HA 1 36 ILE MG 3.940 . 3.940 3.757 3.603 3.916 . 0 0 "[ . 1 . 2]" 1
1053 1 38 LEU HA 1 38 LEU QD 3.340 . 3.340 3.104 2.674 3.174 . 0 0 "[ . 1 . 2]" 1
1054 1 36 ILE HA 1 36 ILE MG 3.060 . 3.060 2.288 2.237 2.335 . 0 0 "[ . 1 . 2]" 1
1055 1 85 ILE HA 1 85 ILE MG 2.950 . 2.950 2.493 2.462 2.532 . 0 0 "[ . 1 . 2]" 1
1056 1 36 ILE MG 1 98 GLU HA 3.790 . 3.790 3.626 3.428 3.823 0.033 9 0 "[ . 1 . 2]" 1
1057 1 38 LEU QD 1 98 GLU HA 4.150 . 4.150 3.192 2.783 3.636 . 0 0 "[ . 1 . 2]" 1
1058 1 36 ILE MG 1 54 MET HA 4.390 . 4.390 4.034 3.621 4.509 0.119 20 0 "[ . 1 . 2]" 1
1059 1 85 ILE MG 1 89 HIS HB2 3.530 . 3.530 2.353 2.227 2.629 . 0 0 "[ . 1 . 2]" 1
1060 1 38 LEU QD 1 100 ASP HB2 3.290 . 3.290 2.057 1.900 2.402 . 0 0 "[ . 1 . 2]" 1
1061 1 85 ILE MG 1 89 HIS HB3 3.210 . 3.210 2.438 2.282 2.718 . 0 0 "[ . 1 . 2]" 1
1062 1 38 LEU QD 1 100 ASP HB3 3.290 . 3.290 2.258 1.996 2.593 . 0 0 "[ . 1 . 2]" 1
1063 1 38 LEU QD 1 91 PRO QB 3.060 . 3.060 2.906 2.722 3.064 0.004 17 0 "[ . 1 . 2]" 1
1064 1 41 ILE HB 1 41 ILE MD 2.810 . 2.810 2.323 2.296 2.341 . 0 0 "[ . 1 . 2]" 1
1065 1 38 LEU HB2 1 38 LEU QD 2.720 . 2.720 2.089 2.061 2.105 . 0 0 "[ . 1 . 2]" 1
1066 1 36 ILE MD 1 38 LEU QD 2.550 . 2.550 1.808 1.773 1.852 0.027 5 0 "[ . 1 . 2]" 1
1067 1 86 ALA H 1 86 ALA MB 3.060 . 3.060 2.365 2.335 2.423 . 0 0 "[ . 1 . 2]" 1
1068 1 85 ILE MG 1 89 HIS H 3.210 . 3.210 2.801 2.667 2.981 . 0 0 "[ . 1 . 2]" 1
1069 1 85 ILE MG 1 87 ASP H 3.160 . 3.160 2.503 2.411 2.684 . 0 0 "[ . 1 . 2]" 1
1070 1 85 ILE MG 1 88 ASN H 3.170 . 3.170 3.107 2.904 3.229 0.059 7 0 "[ . 1 . 2]" 1
1071 1 41 ILE HA 1 41 ILE MD 4.280 . 4.280 3.904 3.892 3.919 . 0 0 "[ . 1 . 2]" 1
1072 1 40 VAL HA 1 102 ILE QG 4.530 . 4.530 3.815 3.715 3.863 . 0 0 "[ . 1 . 2]" 1
1073 1 71 VAL H 1 71 VAL MG1 3.270 . 3.270 2.924 2.634 3.133 . 0 0 "[ . 1 . 2]" 1
1074 1 40 VAL HA 1 40 VAL MG1 3.210 . 3.210 2.529 2.477 2.612 . 0 0 "[ . 1 . 2]" 1
1075 1 71 VAL HA 1 71 VAL MG1 3.250 . 3.250 2.299 2.271 2.355 . 0 0 "[ . 1 . 2]" 1
1076 1 39 LYS HA 1 40 VAL MG1 3.680 . 3.680 3.330 3.260 3.411 . 0 0 "[ . 1 . 2]" 1
1077 1 71 VAL MG1 1 72 PRO QD 3.380 . 3.380 2.856 2.754 3.018 . 0 0 "[ . 1 . 2]" 1
1078 1 40 VAL H 1 40 VAL MG1 3.260 . 3.260 2.777 2.730 2.826 . 0 0 "[ . 1 . 2]" 1
1079 1 27 LEU MD1 1 29 ASP H 4.780 . 4.780 3.458 1.935 4.915 0.135 3 0 "[ . 1 . 2]" 1
1080 1 40 VAL MG1 1 49 HIS HA 4.820 . 4.820 4.852 4.723 4.917 0.097 5 0 "[ . 1 . 2]" 1
1081 1 27 LEU H 1 27 LEU MD1 4.750 . 4.750 3.316 1.786 4.364 0.014 9 0 "[ . 1 . 2]" 1
1082 1 27 LEU HA 1 27 LEU MD1 4.170 . 4.170 3.811 3.548 4.123 . 0 0 "[ . 1 . 2]" 1
1083 1 52 VAL MG1 1 60 LYS H 5.490 . 5.490 5.242 5.054 5.380 . 0 0 "[ . 1 . 2]" 1
1084 1 52 VAL MG1 1 61 LEU H 4.470 . 4.470 4.189 3.544 4.466 . 0 0 "[ . 1 . 2]" 1
1085 1 65 TYR HE1 1 71 VAL MG1 4.800 . 4.800 3.924 3.307 4.272 . 0 0 "[ . 1 . 2]" 1
1086 1 79 LEU HA 1 102 ILE MG 4.060 . 4.060 3.888 3.709 3.985 . 0 0 "[ . 1 . 2]" 1
1087 1 52 VAL MG1 1 60 LYS QE 3.860 . 3.860 2.385 2.123 3.160 . 0 0 "[ . 1 . 2]" 1
1088 1 52 VAL HA 1 52 VAL MG1 2.920 . 2.920 2.362 2.325 2.419 . 0 0 "[ . 1 . 2]" 1
1089 1 52 VAL H 1 52 VAL MG1 3.450 . 3.450 2.663 2.479 2.813 . 0 0 "[ . 1 . 2]" 1
1090 1 102 ILE H 1 102 ILE QG 3.400 . 3.400 2.610 2.498 2.738 . 0 0 "[ . 1 . 2]" 1
1091 1 44 ASP H 1 76 LEU HG 5.320 . 5.320 5.341 5.211 5.410 0.090 18 0 "[ . 1 . 2]" 1
1092 1 79 LEU H 1 102 ILE MG 3.730 . 3.730 2.962 2.815 3.050 . 0 0 "[ . 1 . 2]" 1
1093 1 102 ILE MG 1 103 GLU H 3.290 . 3.290 2.130 2.016 2.433 . 0 0 "[ . 1 . 2]" 1
1094 1 43 GLN HE21 1 76 LEU HG 4.460 . 4.460 3.927 3.061 4.331 . 0 0 "[ . 1 . 2]" 1
1095 1 80 PHE QD 1 102 ILE MG 4.170 . 4.170 3.870 3.709 4.020 . 0 0 "[ . 1 . 2]" 1
1096 1 78 PHE QD 1 102 ILE MG 3.260 . 3.260 2.529 2.192 2.823 . 0 0 "[ . 1 . 2]" 1
1097 1 80 PHE HA 1 102 ILE MG 4.190 . 4.190 2.867 2.614 3.000 . 0 0 "[ . 1 . 2]" 1
1098 1 39 LYS HA 1 39 LYS HG2 3.720 . 3.720 2.566 2.484 2.659 . 0 0 "[ . 1 . 2]" 1
1099 1 50 PHE HB2 1 52 VAL MG1 3.510 . 3.510 2.803 2.570 3.129 . 0 0 "[ . 1 . 2]" 1
1100 1 80 PHE HB2 1 102 ILE MG 3.760 . 3.760 2.556 2.360 2.767 . 0 0 "[ . 1 . 2]" 1
1101 1 80 PHE HB3 1 102 ILE MG 4.040 . 4.040 3.902 3.694 4.049 0.009 16 0 "[ . 1 . 2]" 1
1102 1 40 VAL MG1 1 102 ILE HB 3.030 . 3.030 1.827 1.797 1.865 0.003 9 0 "[ . 1 . 2]" 1
1103 1 41 ILE MG 1 42 GLY H 3.310 . 3.310 2.353 2.195 2.492 . 0 0 "[ . 1 . 2]" 1
1104 1 41 ILE MG 1 47 GLU HA 3.810 . 3.810 3.738 3.363 3.862 0.052 17 0 "[ . 1 . 2]" 1
1105 1 41 ILE HA 1 41 ILE MG 3.020 . 3.020 2.361 2.305 2.382 . 0 0 "[ . 1 . 2]" 1
1106 1 41 ILE MG 1 42 GLY QA 3.930 . 3.930 3.419 3.332 3.516 . 0 0 "[ . 1 . 2]" 1
1107 1 41 ILE MG 1 44 ASP HB3 5.650 . 5.650 5.565 5.484 5.702 0.052 6 0 "[ . 1 . 2]" 1
1108 1 41 ILE QG 1 41 ILE MG 2.860 . 2.860 2.216 2.189 2.237 . 0 0 "[ . 1 . 2]" 1
1109 1 58 LEU H 1 90 THR MG 3.950 . 3.950 3.970 3.861 4.079 0.129 10 0 "[ . 1 . 2]" 1
1110 1 90 THR MG 1 92 LYS H 4.200 . 4.200 4.261 4.218 4.315 0.115 18 0 "[ . 1 . 2]" 1
1111 1 90 THR MG 1 94 LEU H 5.740 . 5.740 5.663 5.584 5.709 . 0 0 "[ . 1 . 2]" 1
1112 1 90 THR HA 1 90 THR MG 3.230 . 3.230 2.342 2.280 2.375 . 0 0 "[ . 1 . 2]" 1
1113 1 56 THR HA 1 90 THR MG 3.870 . 3.870 3.778 3.291 3.941 0.071 2 0 "[ . 1 . 2]" 1
1114 1 90 THR MG 1 91 PRO QD 3.540 . 3.540 2.985 2.894 3.051 . 0 0 "[ . 1 . 2]" 1
1115 1 89 HIS HB2 1 90 THR MG 5.790 . 5.790 5.521 5.451 5.587 . 0 0 "[ . 1 . 2]" 1
1116 1 90 THR MG 1 92 LYS QE 5.060 . 5.060 2.876 2.507 3.265 . 0 0 "[ . 1 . 2]" 1
1117 1 90 THR MG 1 93 GLU HB2 4.040 . 4.040 3.998 3.770 4.144 0.104 2 0 "[ . 1 . 2]" 1
1118 1 58 LEU HG 1 90 THR MG 4.430 . 4.430 4.334 4.197 4.445 0.015 20 0 "[ . 1 . 2]" 1
1119 1 56 THR MG 1 90 THR MG 4.250 . 4.250 4.169 3.905 4.260 0.010 8 0 "[ . 1 . 2]" 1
1120 1 101 VAL QG 1 102 ILE H 3.500 . 3.500 2.441 2.244 2.629 . 0 0 "[ . 1 . 2]" 1
1121 1 101 VAL H 1 101 VAL QG 3.200 . 3.200 2.146 2.064 2.242 . 0 0 "[ . 1 . 2]" 1
1122 1 41 ILE QG 1 47 GLU HA 4.200 . 4.200 3.543 3.336 3.641 . 0 0 "[ . 1 . 2]" 1
1123 1 41 ILE HA 1 41 ILE QG 3.710 . 3.710 2.491 2.465 2.517 . 0 0 "[ . 1 . 2]" 1
1124 1 101 VAL HA 1 101 VAL QG 3.000 . 3.000 2.326 2.307 2.353 . 0 0 "[ . 1 . 2]" 1
1125 1 41 ILE QG 1 45 SER HA 5.810 . 5.810 5.858 5.738 5.918 0.108 11 0 "[ . 1 . 2]" 1
1126 1 41 ILE QG 1 42 GLY QA 5.330 . 5.330 5.268 5.244 5.285 . 0 0 "[ . 1 . 2]" 1
1127 1 41 ILE QG 1 47 GLU QG 4.460 . 4.460 3.582 3.193 3.910 . 0 0 "[ . 1 . 2]" 1
1128 1 101 VAL QG 1 103 GLU HG2 4.640 . 4.640 3.008 2.844 3.220 . 0 0 "[ . 1 . 2]" 1
1129 1 41 ILE QG 1 47 GLU HB2 3.500 . 3.500 2.494 2.310 2.734 . 0 0 "[ . 1 . 2]" 1
1130 1 81 GLU H 1 81 GLU HG2 3.750 . 3.750 3.646 3.497 3.763 0.013 12 0 "[ . 1 . 2]" 1
1131 1 81 GLU HG2 1 83 GLN H 4.600 . 4.600 4.073 3.801 4.253 . 0 0 "[ . 1 . 2]" 1
1132 1 55 THR H 1 55 THR MG 3.300 . 3.300 2.786 2.528 2.912 . 0 0 "[ . 1 . 2]" 1
1133 1 80 PHE HA 1 81 GLU HG2 4.380 . 4.380 4.181 4.040 4.299 . 0 0 "[ . 1 . 2]" 1
1134 1 55 THR MG 1 92 LYS QE 3.560 . 3.560 2.947 2.070 3.329 . 0 0 "[ . 1 . 2]" 1
1135 1 81 GLU HG2 1 83 GLN QG 4.130 . 4.130 3.434 3.099 3.700 . 0 0 "[ . 1 . 2]" 1
1136 1 54 MET ME 1 55 THR MG 3.590 . 3.590 3.609 3.500 3.720 0.130 2 0 "[ . 1 . 2]" 1
1137 1 55 THR MG 1 92 LYS HB2 3.240 . 3.240 3.251 2.872 3.439 0.199 2 0 "[ . 1 . 2]" 1
1138 1 55 THR MG 1 92 LYS QD 2.990 . 2.990 2.124 1.777 3.012 0.023 16 0 "[ . 1 . 2]" 1
1139 1 55 THR MG 1 92 LYS QG 2.700 . 2.700 2.192 1.786 2.651 0.014 13 0 "[ . 1 . 2]" 1
1140 1 48 ILE QG 1 49 HIS H 3.780 . 3.780 2.238 2.163 2.291 . 0 0 "[ . 1 . 2]" 1
1141 1 24 THR MG 1 25 GLU H 4.070 . 4.070 3.032 2.255 4.127 0.057 6 0 "[ . 1 . 2]" 1
1142 1 59 LYS HG2 1 60 LYS H 4.980 . 4.980 4.810 4.551 4.912 . 0 0 "[ . 1 . 2]" 1
1143 1 48 ILE QG 1 49 HIS HA 4.350 . 4.350 3.886 3.790 3.955 . 0 0 "[ . 1 . 2]" 1
1144 1 36 ILE HA 1 37 LYS QG 4.690 . 4.690 3.844 3.373 4.735 0.045 8 0 "[ . 1 . 2]" 1
1145 1 39 LYS HA 1 48 ILE QG 5.490 . 5.490 5.163 5.067 5.307 . 0 0 "[ . 1 . 2]" 1
1146 1 108 GLN HA 1 109 THR MG 4.270 . 4.270 3.797 3.433 4.339 0.069 15 0 "[ . 1 . 2]" 1
1147 1 48 ILE QG 1 65 TYR HA 4.170 . 4.170 3.795 3.014 4.220 0.050 1 0 "[ . 1 . 2]" 1
1148 1 48 ILE QG 1 64 SER QB 4.480 . 4.480 3.695 2.862 4.283 . 0 0 "[ . 1 . 2]" 1
1149 1 59 LYS QE 1 59 LYS HG2 3.470 . 3.470 3.319 3.297 3.508 0.038 17 0 "[ . 1 . 2]" 1
1150 1 80 PHE HB3 1 81 GLU HG2 4.360 . 4.360 4.044 3.932 4.191 . 0 0 "[ . 1 . 2]" 1
1151 1 59 LYS HG2 1 87 ASP QB 3.750 . 3.750 2.430 1.988 2.632 . 0 0 "[ . 1 . 2]" 1
1152 1 24 THR MG 1 25 GLU QG 4.590 . 4.590 4.048 2.667 4.756 0.166 3 0 "[ . 1 . 2]" 1
1153 1 59 LYS HG2 1 63 GLU HG3 4.950 . 4.950 4.041 3.447 4.243 . 0 0 "[ . 1 . 2]" 1
1154 1 59 LYS QD 1 59 LYS HG2 2.700 . 2.700 2.168 2.163 2.176 . 0 0 "[ . 1 . 2]" 1
1155 1 59 LYS H 1 59 LYS HG3 4.620 . 4.620 4.498 4.449 4.517 . 0 0 "[ . 1 . 2]" 1
1156 1 104 VAL HB 1 105 TYR H 4.970 . 4.970 4.287 4.201 4.352 . 0 0 "[ . 1 . 2]" 1
1157 1 104 VAL H 1 104 VAL HB 3.570 . 3.570 2.575 2.464 2.678 . 0 0 "[ . 1 . 2]" 1
1158 1 42 GLY QA 1 104 VAL HB 3.940 . 3.940 1.778 1.743 1.811 0.057 9 0 "[ . 1 . 2]" 1
1159 1 36 ILE H 1 36 ILE HG12 4.140 . 4.140 2.776 2.292 3.826 . 0 0 "[ . 1 . 2]" 1
1160 1 92 LYS QG 1 94 LEU H 4.510 . 4.510 4.205 4.091 4.377 . 0 0 "[ . 1 . 2]" 1
1161 1 89 HIS HD2 1 92 LYS QG 5.800 . 5.800 5.392 5.198 5.537 . 0 0 "[ . 1 . 2]" 1
1162 1 80 PHE HA 1 81 GLU HB3 4.490 . 4.490 4.412 4.323 4.485 . 0 0 "[ . 1 . 2]" 1
1163 1 81 GLU HB3 1 102 ILE HA 6.000 . 6.000 5.990 5.617 6.190 0.190 12 0 "[ . 1 . 2]" 1
1164 1 90 THR HB 1 92 LYS QG 4.390 . 4.390 2.397 2.226 2.580 . 0 0 "[ . 1 . 2]" 1
1165 1 55 THR HA 1 92 LYS QG 4.480 . 4.480 2.772 2.358 3.089 . 0 0 "[ . 1 . 2]" 1
1166 1 59 LYS HG3 1 87 ASP QB 3.990 . 3.990 2.110 1.906 2.381 . 0 0 "[ . 1 . 2]" 1
1167 1 81 GLU HG3 1 83 GLN QG 3.850 . 3.850 3.076 2.725 3.349 . 0 0 "[ . 1 . 2]" 1
1168 1 92 LYS QG 1 93 GLU HB2 3.800 . 3.800 2.913 2.732 3.234 . 0 0 "[ . 1 . 2]" 1
1169 1 92 LYS QG 1 93 GLU HB3 4.070 . 4.070 3.817 3.635 4.108 0.038 18 0 "[ . 1 . 2]" 1
1170 1 36 ILE HG12 1 36 ILE MG 3.170 . 3.170 2.218 2.159 2.263 . 0 0 "[ . 1 . 2]" 1
1171 1 31 LYS QG 1 32 GLU H 4.560 . 4.560 3.187 1.753 4.740 0.180 8 0 "[ . 1 . 2]" 1
1172 1 62 LYS QD 1 63 GLU H 5.220 . 5.220 4.237 4.120 4.361 . 0 0 "[ . 1 . 2]" 1
1173 1 55 THR H 1 56 THR MG 4.360 . 4.360 4.307 4.177 4.409 0.049 2 0 "[ . 1 . 2]" 1
1174 1 56 THR MG 1 90 THR HA 5.190 . 5.190 4.305 4.157 4.554 . 0 0 "[ . 1 . 2]" 1
1175 1 90 THR HA 1 94 LEU HG 5.820 . 5.820 4.973 4.849 5.085 . 0 0 "[ . 1 . 2]" 1
1176 1 52 VAL HA 1 56 THR MG 4.140 . 4.140 3.647 3.278 4.016 . 0 0 "[ . 1 . 2]" 1
1177 1 56 THR MG 1 90 THR HB 4.960 . 4.960 4.681 4.422 4.890 . 0 0 "[ . 1 . 2]" 1
1178 1 94 LEU HA 1 94 LEU HG 3.090 . 3.090 2.881 2.835 2.939 . 0 0 "[ . 1 . 2]" 1
1179 1 56 THR MG 1 91 PRO QD 4.270 . 4.270 2.858 2.662 3.161 . 0 0 "[ . 1 . 2]" 1
1180 1 52 VAL HB 1 56 THR MG 3.820 . 3.820 1.958 1.818 2.102 . 0 0 "[ . 1 . 2]" 1
1181 1 53 LYS QB 1 56 THR MG 3.460 . 3.460 2.929 2.642 3.113 . 0 0 "[ . 1 . 2]" 1
1182 1 52 VAL MG1 1 56 THR MG 3.180 . 3.180 2.983 2.838 3.150 . 0 0 "[ . 1 . 2]" 1
1183 1 61 LEU MD1 1 62 LYS QD 3.600 . 3.600 2.358 2.148 2.521 . 0 0 "[ . 1 . 2]" 1
1184 1 92 LYS H 1 94 LEU HG 5.340 . 5.340 5.309 5.192 5.381 0.041 14 0 "[ . 1 . 2]" 1
1185 1 21 LYS HA 1 21 LYS QG 3.740 . 3.740 3.350 2.608 3.458 . 0 0 "[ . 1 . 2]" 1
1186 1 93 GLU HB3 1 94 LEU HG 3.840 . 3.840 3.191 2.967 3.379 . 0 0 "[ . 1 . 2]" 1
1187 1 39 LYS HB3 1 39 LYS QE 3.400 . 3.400 1.904 1.768 2.047 0.032 16 0 "[ . 1 . 2]" 1
1188 1 38 LEU HB2 1 50 PHE H 4.350 . 4.350 4.237 3.970 4.365 0.015 10 0 "[ . 1 . 2]" 1
1189 1 39 LYS HB3 1 40 VAL H 4.670 . 4.670 4.014 3.906 4.110 . 0 0 "[ . 1 . 2]" 1
1190 1 84 ARG QG 1 89 HIS HE1 5.160 . 5.160 4.463 3.469 5.297 0.137 7 0 "[ . 1 . 2]" 1
1191 1 38 LEU HB2 1 49 HIS HA 5.440 . 5.440 5.273 5.107 5.387 . 0 0 "[ . 1 . 2]" 1
1192 1 39 LYS HB3 1 40 VAL HA 4.850 . 4.850 4.742 4.642 4.870 0.020 16 0 "[ . 1 . 2]" 1
1193 1 84 ARG QG 1 85 ILE HA 4.520 . 4.520 4.115 3.651 4.627 0.107 9 0 "[ . 1 . 2]" 1
1194 1 79 LEU H 1 79 LEU HG 3.810 . 3.810 2.816 2.728 2.900 . 0 0 "[ . 1 . 2]" 1
1195 1 79 LEU HA 1 79 LEU HG 4.120 . 4.120 3.325 3.296 3.357 . 0 0 "[ . 1 . 2]" 1
1196 1 84 ARG HA 1 84 ARG QG 3.500 . 3.500 3.252 2.892 3.504 0.004 10 0 "[ . 1 . 2]" 1
1197 1 38 LEU H 1 38 LEU HB2 3.700 . 3.700 2.964 2.844 3.128 . 0 0 "[ . 1 . 2]" 1
1198 1 77 ARG QG 1 78 PHE H 4.220 . 4.220 3.414 3.189 3.556 . 0 0 "[ . 1 . 2]" 1
1199 1 59 LYS HB3 1 59 LYS HG2 2.960 . 2.960 2.966 2.866 2.981 0.021 13 0 "[ . 1 . 2]" 1
1200 1 39 LYS QD 1 40 VAL H 3.580 . 3.580 3.163 2.733 3.673 0.093 11 0 "[ . 1 . 2]" 1
1201 1 37 LYS HB3 1 38 LEU H 4.050 . 4.050 3.981 3.585 4.087 0.037 18 0 "[ . 1 . 2]" 1
1202 1 39 LYS H 1 39 LYS HB2 3.500 . 3.500 3.413 3.355 3.444 . 0 0 "[ . 1 . 2]" 1
1203 1 76 LEU HB2 1 107 GLU H 4.480 . 4.480 4.146 3.923 4.437 . 0 0 "[ . 1 . 2]" 1
1204 1 76 LEU H 1 76 LEU HB2 3.680 . 3.680 3.699 3.670 3.729 0.049 2 0 "[ . 1 . 2]" 1
1205 1 43 GLN HE22 1 76 LEU HB2 5.170 . 5.170 3.740 3.088 4.399 . 0 0 "[ . 1 . 2]" 1
1206 1 39 LYS QD 1 40 VAL HA 3.600 . 3.600 3.116 2.843 3.543 . 0 0 "[ . 1 . 2]" 1
1207 1 76 LEU HB2 1 104 VAL HA 4.620 . 4.620 4.315 4.220 4.374 . 0 0 "[ . 1 . 2]" 1
1208 1 76 LEU HB2 1 106 GLN HA 4.030 . 4.030 2.968 2.888 3.082 . 0 0 "[ . 1 . 2]" 1
1209 1 55 THR HA 1 92 LYS QD 4.330 . 4.330 4.131 3.720 4.564 0.234 6 0 "[ . 1 . 2]" 1
1210 1 42 GLY QA 1 76 LEU HB2 5.160 . 5.160 5.071 4.940 5.163 0.003 5 0 "[ . 1 . 2]" 1
1211 1 76 LEU HB2 1 77 ARG QD 4.130 . 4.130 3.872 3.742 4.013 . 0 0 "[ . 1 . 2]" 1
1212 1 59 LYS QD 1 63 GLU HG3 3.400 . 3.400 2.291 2.108 2.629 . 0 0 "[ . 1 . 2]" 1
1213 1 39 LYS QD 1 41 ILE MD 2.710 . 2.710 2.332 2.103 2.716 0.006 17 0 "[ . 1 . 2]" 1
1214 1 85 ILE HB 1 86 ALA H 4.580 . 4.580 4.505 4.463 4.527 . 0 0 "[ . 1 . 2]" 1
1215 1 79 LEU H 1 85 ILE HB 5.170 . 5.170 5.039 4.909 5.167 . 0 0 "[ . 1 . 2]" 1
1216 1 53 LYS QG 1 55 THR H 4.830 . 4.830 3.433 1.834 4.870 0.040 13 0 "[ . 1 . 2]" 1
1217 1 85 ILE HB 1 89 HIS HB2 5.070 . 5.070 4.497 4.403 4.667 . 0 0 "[ . 1 . 2]" 1
1218 1 78 PHE HB3 1 85 ILE HB 3.740 . 3.740 3.057 2.811 3.308 . 0 0 "[ . 1 . 2]" 1
1219 1 92 LYS HB3 1 93 GLU H 4.450 . 4.450 3.986 3.928 4.055 . 0 0 "[ . 1 . 2]" 1
1220 1 92 LYS QD 1 93 GLU H 4.680 . 4.680 3.769 2.786 4.198 . 0 0 "[ . 1 . 2]" 1
1221 1 55 THR HB 1 92 LYS QD 4.140 . 4.140 3.764 3.204 4.253 0.113 1 0 "[ . 1 . 2]" 1
1222 1 36 ILE H 1 36 ILE HB 3.840 . 3.840 3.704 3.653 3.777 . 0 0 "[ . 1 . 2]" 1
1223 1 27 LEU HG 1 29 ASP H 6.000 . 6.000 4.660 1.901 5.912 . 0 0 "[ . 1 . 2]" 1
1224 1 58 LEU HG 1 88 ASN H 5.260 . 5.260 5.375 5.321 5.427 0.167 17 0 "[ . 1 . 2]" 1
1225 1 29 ASP QB 1 30 LYS QD 4.500 . 4.500 4.123 2.116 4.712 0.212 7 0 "[ . 1 . 2]" 1
1226 1 30 LYS QB 1 30 LYS QD 3.290 . 3.290 2.319 2.119 2.812 . 0 0 "[ . 1 . 2]" 1
1227 1 31 LYS QB 1 31 LYS QD 3.340 . 3.340 2.428 2.234 2.755 . 0 0 "[ . 1 . 2]" 1
1228 1 69 GLN QB 1 71 VAL MG2 2.950 . 2.950 2.036 1.916 2.322 . 0 0 "[ . 1 . 2]" 1
1229 1 106 GLN H 1 107 GLU HB3 5.490 . 5.490 5.436 5.311 5.615 0.125 9 0 "[ . 1 . 2]" 1
1230 1 27 LEU HB3 1 28 GLY H 4.150 . 4.150 3.635 2.536 4.356 0.206 9 0 "[ . 1 . 2]" 1
1231 1 58 LEU HG 1 90 THR HA 3.740 . 3.740 2.785 2.643 2.977 . 0 0 "[ . 1 . 2]" 1
1232 1 65 TYR HB2 1 69 GLN QB 5.620 . 5.620 5.574 5.446 5.670 0.050 9 0 "[ . 1 . 2]" 1
1233 1 27 LEU H 1 27 LEU HB3 4.150 . 4.150 3.445 2.833 3.799 . 0 0 "[ . 1 . 2]" 1
1234 1 31 LYS H 1 31 LYS QD 4.550 . 4.550 3.843 1.713 4.727 0.177 9 0 "[ . 1 . 2]" 1
1235 1 60 LYS H 1 60 LYS QD 4.430 . 4.430 3.949 3.746 4.151 . 0 0 "[ . 1 . 2]" 1
1236 1 58 LEU HG 1 89 HIS H 5.170 . 5.170 4.760 4.376 5.091 . 0 0 "[ . 1 . 2]" 1
1237 1 21 LYS HB3 1 22 PRO HD3 4.500 . 4.500 4.273 3.707 4.553 0.053 13 0 "[ . 1 . 2]" 1
1238 1 62 LYS QB 1 66 CYS HB2 5.970 . 5.970 4.798 4.454 5.275 . 0 0 "[ . 1 . 2]" 1
1239 1 96 MET H 1 96 MET QB 3.840 . 3.840 2.854 2.749 3.029 . 0 0 "[ . 1 . 2]" 1
1240 1 102 ILE H 1 102 ILE HB 3.550 . 3.550 2.745 2.686 2.800 . 0 0 "[ . 1 . 2]" 1
1241 1 92 LYS H 1 92 LYS HB2 3.690 . 3.690 3.613 3.580 3.643 . 0 0 "[ . 1 . 2]" 1
1242 1 80 PHE QD 1 96 MET QB 4.590 . 4.590 3.540 3.326 3.870 . 0 0 "[ . 1 . 2]" 1
1243 1 41 ILE H 1 41 ILE HB 3.400 . 3.400 2.657 2.587 2.731 . 0 0 "[ . 1 . 2]" 1
1244 1 68 ARG QG 1 69 GLN H 4.110 . 4.110 3.601 3.064 4.127 0.017 8 0 "[ . 1 . 2]" 1
1245 1 53 LYS QD 1 55 THR H 4.660 . 4.660 4.022 2.926 4.697 0.037 20 0 "[ . 1 . 2]" 1
1246 1 40 VAL HA 1 102 ILE HB 3.880 . 3.880 3.001 2.904 3.134 . 0 0 "[ . 1 . 2]" 1
1247 1 47 GLU H 1 47 GLU HB3 3.280 . 3.280 3.267 2.882 3.374 0.094 3 0 "[ . 1 . 2]" 1
1248 1 40 VAL HB 1 102 ILE HB 3.670 . 3.670 2.040 1.892 2.230 . 0 0 "[ . 1 . 2]" 1
1249 1 84 ARG QB 1 84 ARG QD 3.340 . 3.340 2.364 2.016 2.816 . 0 0 "[ . 1 . 2]" 1
1250 1 80 PHE QE 1 81 GLU HB2 4.800 . 4.800 4.928 4.872 4.964 0.164 2 0 "[ . 1 . 2]" 1
1251 1 81 GLU HB2 1 82 GLY HA3 4.970 . 4.970 4.978 4.925 5.032 0.062 3 0 "[ . 1 . 2]" 1
1252 1 53 LYS QB 1 56 THR HA 5.050 . 5.050 4.331 4.148 4.505 . 0 0 "[ . 1 . 2]" 1
1253 1 60 LYS QB 1 61 LEU HA 4.600 . 4.600 4.370 4.140 4.549 . 0 0 "[ . 1 . 2]" 1
1254 1 79 LEU HB2 1 81 GLU H 5.350 . 5.350 4.731 4.550 4.948 . 0 0 "[ . 1 . 2]" 1
1255 1 48 ILE HB 1 49 HIS HA 5.920 . 5.920 5.830 5.807 5.850 . 0 0 "[ . 1 . 2]" 1
1256 1 79 LEU HB2 1 80 PHE HA 4.860 . 4.860 4.653 4.607 4.731 . 0 0 "[ . 1 . 2]" 1
1257 1 78 PHE HA 1 79 LEU HB2 4.770 . 4.770 4.710 4.649 4.792 0.022 4 0 "[ . 1 . 2]" 1
1258 1 48 ILE HB 1 65 TYR HB2 5.010 . 5.010 4.340 3.826 4.621 . 0 0 "[ . 1 . 2]" 1
1259 1 79 LEU HB2 1 79 LEU MD2 3.340 . 3.340 3.202 3.188 3.210 . 0 0 "[ . 1 . 2]" 1
1260 1 96 MET QG 1 97 GLU H 4.170 . 4.170 3.266 2.940 4.056 . 0 0 "[ . 1 . 2]" 1
1261 1 94 LEU H 1 96 MET ME 5.130 . 5.130 4.819 4.708 4.987 . 0 0 "[ . 1 . 2]" 1
1262 1 80 PHE QE 1 96 MET QG 4.060 . 4.060 3.852 2.867 4.105 0.045 2 0 "[ . 1 . 2]" 1
1263 1 36 ILE HA 1 98 GLU HB3 4.460 . 4.460 3.316 3.055 3.525 . 0 0 "[ . 1 . 2]" 1
1264 1 85 ILE HA 1 85 ILE QG 3.510 . 3.510 2.366 2.341 2.395 . 0 0 "[ . 1 . 2]" 1
1265 1 85 ILE QG 1 89 HIS HB3 4.090 . 4.090 2.278 2.089 2.430 . 0 0 "[ . 1 . 2]" 1
1266 1 54 MET ME 1 92 LYS HB2 3.500 . 3.500 3.437 3.084 3.556 0.056 16 0 "[ . 1 . 2]" 1
1267 1 96 MET QB 1 96 MET ME 3.880 . 3.880 3.522 3.334 3.568 . 0 0 "[ . 1 . 2]" 1
1268 1 54 MET ME 1 92 LYS HB3 3.070 . 3.070 2.476 2.250 2.617 . 0 0 "[ . 1 . 2]" 1
1269 1 36 ILE HG12 1 54 MET ME 3.700 . 3.700 3.473 2.810 3.709 0.009 11 0 "[ . 1 . 2]" 1
1270 1 54 MET ME 1 92 LYS QG 4.110 . 4.110 4.012 3.713 4.166 0.056 12 0 "[ . 1 . 2]" 1
1271 1 94 LEU MD1 1 96 MET ME 4.380 . 4.380 2.199 2.040 2.450 . 0 0 "[ . 1 . 2]" 1
1272 1 98 GLU HB3 1 99 GLU H 4.100 . 4.100 3.843 3.604 4.208 0.108 9 0 "[ . 1 . 2]" 1
1273 1 37 LYS H 1 98 GLU HB3 3.530 . 3.530 3.084 2.659 3.322 . 0 0 "[ . 1 . 2]" 1
1274 1 79 LEU HA 1 103 GLU QB 5.710 . 5.710 5.298 5.144 5.448 . 0 0 "[ . 1 . 2]" 1
1275 1 41 ILE HA 1 47 GLU HB2 4.350 . 4.350 3.249 3.001 3.434 . 0 0 "[ . 1 . 2]" 1
1276 1 37 LYS QG 1 98 GLU HB3 4.350 . 4.350 4.023 3.512 4.465 0.115 8 0 "[ . 1 . 2]" 1
1277 1 101 VAL HB 1 102 ILE H 4.350 . 4.350 4.061 3.958 4.159 . 0 0 "[ . 1 . 2]" 1
1278 1 101 VAL H 1 101 VAL HB 3.280 . 3.280 3.133 2.995 3.221 . 0 0 "[ . 1 . 2]" 1
1279 1 21 LYS QE 1 22 PRO QG 4.140 . 4.140 3.963 3.481 4.339 0.199 8 0 "[ . 1 . 2]" 1
1280 1 57 HIS HB2 1 59 LYS HB2 4.500 . 4.500 4.377 4.211 4.530 0.030 2 0 "[ . 1 . 2]" 1
1281 1 90 THR HA 1 93 GLU HB3 5.000 . 5.000 4.889 4.638 5.021 0.021 3 0 "[ . 1 . 2]" 1
1282 1 77 ARG HE 1 107 GLU QG 4.890 . 4.890 4.439 3.682 4.962 0.072 18 0 "[ . 1 . 2]" 1
1283 1 77 ARG QD 1 107 GLU QG 4.130 . 4.130 3.771 3.201 4.182 0.052 11 0 "[ . 1 . 2]" 1
1284 1 54 MET HB3 1 55 THR MG 4.460 . 4.460 2.831 2.654 3.156 . 0 0 "[ . 1 . 2]" 1
1285 1 36 ILE MG 1 98 GLU HB2 3.490 . 3.490 3.496 3.241 3.612 0.122 12 0 "[ . 1 . 2]" 1
1286 1 98 GLU HB2 1 99 GLU H 3.640 . 3.640 2.588 2.335 3.107 . 0 0 "[ . 1 . 2]" 1
1287 1 103 GLU H 1 103 GLU HG3 3.510 . 3.510 2.432 2.165 3.017 . 0 0 "[ . 1 . 2]" 1
1288 1 37 LYS H 1 98 GLU HB2 3.800 . 3.800 2.589 2.157 2.996 . 0 0 "[ . 1 . 2]" 1
1289 1 69 GLN QG 1 71 VAL H 5.260 . 5.260 5.070 4.733 5.328 0.068 11 0 "[ . 1 . 2]" 1
1290 1 71 VAL H 1 73 MET ME 5.560 . 5.560 4.133 3.807 4.570 . 0 0 "[ . 1 . 2]" 1
1291 1 73 MET ME 1 78 PHE QD 5.200 . 5.200 4.941 4.377 5.237 0.037 1 0 "[ . 1 . 2]" 1
1292 1 56 THR H 1 91 PRO QB 5.180 . 5.180 5.126 4.924 5.254 0.074 2 0 "[ . 1 . 2]" 1
1293 1 47 GLU HA 1 69 GLN QG 5.180 . 5.180 5.059 4.761 5.217 0.037 18 0 "[ . 1 . 2]" 1
1294 1 71 VAL HA 1 72 PRO QG 4.180 . 4.180 4.031 3.920 4.108 . 0 0 "[ . 1 . 2]" 1
1295 1 103 GLU HA 1 103 GLU HG3 3.720 . 3.720 3.397 3.301 3.673 . 0 0 "[ . 1 . 2]" 1
1296 1 73 MET HA 1 73 MET ME 3.070 . 3.070 1.810 1.775 1.848 0.025 15 0 "[ . 1 . 2]" 1
1297 1 66 CYS HB2 1 73 MET QB 3.820 . 3.820 2.546 2.261 2.957 . 0 0 "[ . 1 . 2]" 1
1298 1 66 CYS HB3 1 73 MET QB 3.640 . 3.640 3.765 3.661 3.907 0.267 19 0 "[ . 1 . 2]" 1
1299 1 37 LYS QG 1 98 GLU HB2 3.480 . 3.480 2.818 2.421 3.542 0.062 17 0 "[ . 1 . 2]" 1
1300 1 73 MET ME 1 76 LEU HG 3.260 . 3.260 3.266 3.089 3.382 0.122 20 0 "[ . 1 . 2]" 1
1301 1 71 VAL MG2 1 73 MET ME 3.240 . 3.240 1.881 1.818 2.118 . 0 0 "[ . 1 . 2]" 1
1302 1 62 LYS QG 1 73 MET QB 4.100 . 4.100 3.120 2.673 3.795 . 0 0 "[ . 1 . 2]" 1
1303 1 69 GLN HA 1 69 GLN QG 3.160 . 3.160 2.345 2.323 2.381 . 0 0 "[ . 1 . 2]" 1
1304 1 80 PHE HA 1 83 GLN HB2 4.380 . 4.380 4.226 4.072 4.353 . 0 0 "[ . 1 . 2]" 1
1305 1 81 GLU HG2 1 83 GLN HB2 4.130 . 4.130 4.177 3.927 4.253 0.123 20 0 "[ . 1 . 2]" 1
1306 1 91 PRO QB 1 94 LEU MD1 3.960 . 3.960 3.768 3.627 3.889 . 0 0 "[ . 1 . 2]" 1
1307 1 97 GLU QG 1 98 GLU H 3.290 . 3.290 2.700 1.705 3.535 0.245 11 0 "[ . 1 . 2]" 1
1308 1 43 GLN HB3 1 43 GLN HE22 5.370 . 5.370 4.020 3.515 4.533 . 0 0 "[ . 1 . 2]" 1
1309 1 90 THR HA 1 91 PRO QG 5.110 . 5.110 4.032 3.957 4.062 . 0 0 "[ . 1 . 2]" 1
1310 1 97 GLU HA 1 97 GLU QG 3.390 . 3.390 2.673 2.269 3.490 0.100 4 0 "[ . 1 . 2]" 1
1311 1 71 VAL HB 1 72 PRO QD 3.410 . 3.410 2.070 1.936 2.329 . 0 0 "[ . 1 . 2]" 1
1312 1 80 PHE QD 1 83 GLN HB3 4.840 . 4.840 3.867 3.574 4.154 . 0 0 "[ . 1 . 2]" 1
1313 1 40 VAL HB 1 102 ILE HA 5.250 . 5.250 4.680 4.446 4.823 . 0 0 "[ . 1 . 2]" 1
1314 1 40 VAL HB 1 103 GLU HA 5.580 . 5.580 4.517 4.265 4.750 . 0 0 "[ . 1 . 2]" 1
1315 1 36 ILE MD 1 91 PRO QG 4.570 . 4.570 3.443 3.190 3.645 . 0 0 "[ . 1 . 2]" 1
1316 1 40 VAL HB 1 41 ILE H 3.620 . 3.620 2.997 2.931 3.060 . 0 0 "[ . 1 . 2]" 1
1317 1 90 THR HA 1 93 GLU HB2 5.880 . 5.880 5.438 4.997 5.648 . 0 0 "[ . 1 . 2]" 1
1318 1 92 LYS QE 1 93 GLU HB2 4.000 . 4.000 2.941 2.184 3.488 . 0 0 "[ . 1 . 2]" 1
1319 1 67 GLN QB 1 67 GLN HE21 4.270 . 4.270 3.268 1.763 3.970 0.037 5 0 "[ . 1 . 2]" 1
1320 1 93 GLU QG 1 94 LEU HA 4.120 . 4.120 3.913 3.730 4.148 0.028 18 0 "[ . 1 . 2]" 1
1321 1 93 GLU HB3 1 93 GLU QG 2.740 . 2.740 2.171 2.143 2.297 . 0 0 "[ . 1 . 2]" 1
1322 1 93 GLU QG 1 94 LEU MD1 5.540 . 5.540 5.275 5.087 5.370 . 0 0 "[ . 1 . 2]" 1
1323 1 21 LYS HA 1 22 PRO HB2 5.820 . 5.820 5.567 5.154 5.713 . 0 0 "[ . 1 . 2]" 1
1324 1 92 LYS QE 1 93 GLU QG 5.260 . 5.260 4.627 3.920 5.092 . 0 0 "[ . 1 . 2]" 1
1325 1 93 GLU QG 1 94 LEU QB 5.240 . 5.240 5.142 4.990 5.284 0.044 18 0 "[ . 1 . 2]" 1
1326 1 92 LYS QG 1 93 GLU QG 5.150 . 5.150 4.728 4.439 5.012 . 0 0 "[ . 1 . 2]" 1
1327 1 90 THR MG 1 93 GLU QG 5.050 . 5.050 4.820 4.637 5.183 0.133 16 0 "[ . 1 . 2]" 1
1328 1 102 ILE H 1 103 GLU HG2 4.950 . 4.950 4.936 4.602 5.106 0.156 4 0 "[ . 1 . 2]" 1
1329 1 41 ILE H 1 103 GLU HG2 5.020 . 5.020 4.700 4.255 5.033 0.013 10 0 "[ . 1 . 2]" 1
1330 1 22 PRO HB2 1 23 SER H 3.750 . 3.750 2.162 1.776 3.226 0.024 16 0 "[ . 1 . 2]" 1
1331 1 105 TYR H 1 105 TYR HB3 3.820 . 3.820 3.677 3.642 3.730 . 0 0 "[ . 1 . 2]" 1
1332 1 82 GLY H 1 83 GLN QG 4.860 . 4.860 4.573 4.359 4.765 . 0 0 "[ . 1 . 2]" 1
1333 1 83 GLN QG 1 84 ARG H 5.120 . 5.120 4.430 4.184 4.620 . 0 0 "[ . 1 . 2]" 1
1334 1 18 GLN QG 1 19 GLU H 3.900 . 3.900 3.632 2.603 4.104 0.204 9 0 "[ . 1 . 2]" 1
1335 1 18 GLN HA 1 18 GLN QG 3.520 . 3.520 3.323 2.251 3.535 0.015 17 0 "[ . 1 . 2]" 1
1336 1 82 GLY HA3 1 83 GLN QG 4.680 . 4.680 4.370 4.117 4.656 . 0 0 "[ . 1 . 2]" 1
1337 1 83 GLN HB2 1 83 GLN QG 2.510 . 2.510 2.137 2.123 2.151 . 0 0 "[ . 1 . 2]" 1
1338 1 80 PHE HB2 1 83 GLN QG 4.660 . 4.660 4.726 4.584 4.828 0.168 6 0 "[ . 1 . 2]" 1
1339 1 76 LEU HB3 1 105 TYR HB3 5.980 . 5.980 5.977 5.874 6.042 0.062 2 0 "[ . 1 . 2]" 1
1340 1 65 TYR H 1 67 GLN HG3 5.840 . 5.840 5.859 5.755 5.936 0.096 20 0 "[ . 1 . 2]" 1
1341 1 43 GLN QG 1 45 SER H 4.730 . 4.730 4.755 4.650 4.845 0.115 4 0 "[ . 1 . 2]" 1
1342 1 62 LYS QE 1 78 PHE QD 5.200 . 5.200 2.685 2.552 2.769 . 0 0 "[ . 1 . 2]" 1
1343 1 76 LEU HA 1 106 GLN QG 4.700 . 4.700 4.189 3.573 4.782 0.082 17 0 "[ . 1 . 2]" 1
1344 1 71 VAL HA 1 72 PRO QB 4.610 . 4.610 4.617 4.577 4.649 0.039 11 0 "[ . 1 . 2]" 1
1345 1 64 SER HA 1 67 GLN HG3 4.330 . 4.330 3.497 3.302 3.735 . 0 0 "[ . 1 . 2]" 1
1346 1 59 LYS HA 1 62 LYS QE 4.170 . 4.170 3.801 3.544 3.961 . 0 0 "[ . 1 . 2]" 1
1347 1 63 GLU QB 1 67 GLN HG3 3.170 . 3.170 3.280 3.189 3.362 0.192 4 0 "[ . 1 . 2]" 1
1348 1 76 LEU HB3 1 106 GLN QG 4.300 . 4.300 3.325 2.363 4.313 0.013 20 0 "[ . 1 . 2]" 1
1349 1 78 PHE HB3 1 102 ILE MG 3.590 . 3.590 2.373 2.189 2.558 . 0 0 "[ . 1 . 2]" 1
1350 1 58 LEU QD 1 62 LYS QE 3.750 . 3.750 3.807 3.645 3.923 0.173 16 0 "[ . 1 . 2]" 1
1351 1 54 MET QG 1 55 THR HA 4.340 . 4.340 4.106 3.803 4.262 . 0 0 "[ . 1 . 2]" 1
1352 1 50 PHE HB3 1 61 LEU HA 5.140 . 5.140 4.333 4.125 4.600 . 0 0 "[ . 1 . 2]" 1
1353 1 48 ILE QG 1 50 PHE HB3 4.430 . 4.430 3.346 3.101 3.531 . 0 0 "[ . 1 . 2]" 1
1354 1 66 CYS HA 1 67 GLN HG2 5.560 . 5.560 5.294 5.196 5.446 . 0 0 "[ . 1 . 2]" 1
1355 1 59 LYS QD 1 87 ASP QB 3.790 . 3.790 3.859 3.685 3.932 0.142 13 0 "[ . 1 . 2]" 1
1356 1 50 PHE HB3 1 52 VAL MG1 4.160 . 4.160 4.187 3.997 4.417 0.257 6 0 "[ . 1 . 2]" 1
1357 1 50 PHE HB3 1 61 LEU MD1 5.420 . 5.420 5.226 5.116 5.376 . 0 0 "[ . 1 . 2]" 1
1358 1 59 LYS HB2 1 87 ASP QB 4.520 . 4.520 2.284 2.077 2.635 . 0 0 "[ . 1 . 2]" 1
1359 1 67 GLN HG2 1 70 GLY QA 6.000 . 6.000 6.078 6.024 6.146 0.146 14 0 "[ . 1 . 2]" 1
1360 1 66 CYS HB2 1 67 GLN HG2 5.530 . 5.530 5.068 4.917 5.324 . 0 0 "[ . 1 . 2]" 1
1361 1 26 ASP QB 1 27 LEU HA 4.500 . 4.500 4.385 3.779 4.726 0.226 1 0 "[ . 1 . 2]" 1
1362 1 35 TYR HB3 1 53 LYS H 5.210 . 5.210 4.921 4.326 5.246 0.036 13 0 "[ . 1 . 2]" 1
1363 1 59 LYS QE 1 87 ASP QB 4.260 . 4.260 4.085 3.951 4.316 0.056 8 0 "[ . 1 . 2]" 1
1364 1 28 GLY H 1 29 ASP QB 5.180 . 5.180 4.327 3.545 5.055 . 0 0 "[ . 1 . 2]" 1
1365 1 28 GLY QA 1 29 ASP QB 4.870 . 4.870 4.320 3.795 4.687 . 0 0 "[ . 1 . 2]" 1
1366 1 27 LEU MD2 1 29 ASP QB 4.970 . 4.970 3.772 2.816 4.747 . 0 0 "[ . 1 . 2]" 1
1367 1 16 SER QB 1 17 ASP QB 4.570 . 4.570 4.217 3.305 4.681 0.111 10 0 "[ . 1 . 2]" 1
1368 1 73 MET H 1 73 MET QG 3.840 . 3.840 3.317 2.647 3.839 . 0 0 "[ . 1 . 2]" 1
1369 1 66 CYS H 1 73 MET QG 4.810 . 4.810 2.738 2.496 2.915 . 0 0 "[ . 1 . 2]" 1
1370 1 67 GLN H 1 73 MET QG 5.580 . 5.580 4.966 4.606 5.313 . 0 0 "[ . 1 . 2]" 1
1371 1 73 MET QG 1 74 ASN HD21 5.280 . 5.280 4.981 4.556 5.428 0.148 9 0 "[ . 1 . 2]" 1
1372 1 62 LYS H 1 73 MET QG 6.000 . 6.000 5.191 4.873 5.574 . 0 0 "[ . 1 . 2]" 1
1373 1 79 LEU HA 1 80 PHE HB3 4.570 . 4.570 4.371 4.300 4.453 . 0 0 "[ . 1 . 2]" 1
1374 1 66 CYS HB2 1 73 MET QG 4.240 . 4.240 2.212 1.739 2.710 0.061 17 0 "[ . 1 . 2]" 1
1375 1 65 TYR HB2 1 73 MET QG 5.060 . 5.060 4.000 3.784 4.377 . 0 0 "[ . 1 . 2]" 1
1376 1 66 CYS HB3 1 73 MET QG 3.720 . 3.720 3.400 2.772 3.769 0.049 15 0 "[ . 1 . 2]" 1
1377 1 80 PHE HB3 1 83 GLN QG 5.250 . 5.250 3.226 3.117 3.309 . 0 0 "[ . 1 . 2]" 1
1378 1 80 PHE HB3 1 85 ILE QG 4.360 . 4.360 3.926 3.811 4.034 . 0 0 "[ . 1 . 2]" 1
1379 1 39 LYS QE 1 49 HIS HA 6.000 . 6.000 5.999 5.651 6.156 0.156 10 0 "[ . 1 . 2]" 1
1380 1 89 HIS HB3 1 90 THR HA 4.540 . 4.540 4.386 4.323 4.492 . 0 0 "[ . 1 . 2]" 1
1381 1 37 LYS H 1 37 LYS QE 4.680 . 4.680 4.108 3.424 4.682 0.002 16 0 "[ . 1 . 2]" 1
1382 1 39 LYS H 1 39 LYS QE 5.110 . 5.110 4.358 3.747 4.611 . 0 0 "[ . 1 . 2]" 1
1383 1 39 LYS HA 1 39 LYS QE 4.790 . 4.790 4.490 4.300 4.632 . 0 0 "[ . 1 . 2]" 1
1384 1 39 LYS QE 1 39 LYS HG2 3.480 . 3.480 3.425 3.289 3.500 0.020 2 0 "[ . 1 . 2]" 1
1385 1 39 LYS QE 1 101 VAL HA 4.260 . 4.260 3.716 2.857 4.072 . 0 0 "[ . 1 . 2]" 1
1386 1 85 ILE HA 1 89 HIS HB3 4.850 . 4.850 3.277 3.024 3.499 . 0 0 "[ . 1 . 2]" 1
1387 1 59 LYS QE 1 63 GLU H 5.870 . 5.870 5.524 5.354 5.914 0.044 17 0 "[ . 1 . 2]" 1
1388 1 59 LYS QE 1 60 LYS H 5.220 . 5.220 3.792 3.567 4.472 . 0 0 "[ . 1 . 2]" 1
1389 1 55 THR HA 1 92 LYS QE 4.170 . 4.170 3.993 3.654 4.230 0.060 18 0 "[ . 1 . 2]" 1
1390 1 59 LYS QE 1 88 ASN HA 6.000 . 6.000 6.024 5.711 6.203 0.203 19 0 "[ . 1 . 2]" 1
1391 1 59 LYS QE 1 60 LYS HA 4.770 . 4.770 3.943 3.743 4.780 0.010 17 0 "[ . 1 . 2]" 1
1392 1 91 PRO QG 1 92 LYS QE 5.650 . 5.650 5.489 5.375 5.727 0.077 2 0 "[ . 1 . 2]" 1
1393 1 92 LYS QE 1 93 GLU HB3 4.970 . 4.970 4.391 3.695 4.992 0.022 10 0 "[ . 1 . 2]" 1
1394 1 59 LYS HB2 1 59 LYS QE 4.220 . 4.220 3.196 3.026 3.220 . 0 0 "[ . 1 . 2]" 1
1395 1 92 LYS HB2 1 92 LYS QE 3.930 . 3.930 3.916 3.871 3.954 0.024 5 0 "[ . 1 . 2]" 1
1396 1 92 LYS QE 1 92 LYS QG 3.090 . 3.090 2.121 2.103 2.138 . 0 0 "[ . 1 . 2]" 1
1397 1 74 ASN HB3 1 76 LEU H 5.210 . 5.210 5.273 5.183 5.345 0.135 14 0 "[ . 1 . 2]" 1
1398 1 80 PHE H 1 80 PHE HB2 3.960 . 3.960 3.120 3.017 3.198 . 0 0 "[ . 1 . 2]" 1
1399 1 80 PHE HB2 1 85 ILE QG 4.180 . 4.180 3.929 3.773 4.178 . 0 0 "[ . 1 . 2]" 1
1400 1 62 LYS QG 1 65 TYR HB3 5.510 . 5.510 4.608 4.218 5.057 . 0 0 "[ . 1 . 2]" 1
1401 1 62 LYS QG 1 78 PHE HB2 5.720 . 5.720 4.491 4.232 4.890 . 0 0 "[ . 1 . 2]" 1
1402 1 31 LYS QE 1 32 GLU H 4.750 . 4.750 4.000 2.962 4.759 0.009 8 0 "[ . 1 . 2]" 1
1403 1 31 LYS H 1 31 LYS QE 4.770 . 4.770 4.279 3.037 5.020 0.250 15 0 "[ . 1 . 2]" 1
1404 1 31 LYS HA 1 31 LYS QE 4.670 . 4.670 3.911 1.812 5.075 0.405 20 0 "[ . 1 . 2]" 1
1405 1 21 LYS QE 1 22 PRO HB2 5.650 . 5.650 5.191 4.723 5.770 0.120 13 0 "[ . 1 . 2]" 1
1406 1 21 LYS QE 1 21 LYS QG 3.500 . 3.500 2.484 2.264 2.800 . 0 0 "[ . 1 . 2]" 1
1407 1 97 GLU H 1 100 ASP HB2 4.720 . 4.720 3.060 2.673 3.278 . 0 0 "[ . 1 . 2]" 1
1408 1 60 LYS H 1 60 LYS QE 5.760 . 5.760 5.383 4.763 5.901 0.141 13 0 "[ . 1 . 2]" 1
1409 1 65 TYR HB3 1 65 TYR HE1 4.870 . 4.870 4.899 4.853 4.950 0.080 4 0 "[ . 1 . 2]" 1
1410 1 77 ARG HA 1 77 ARG QD 3.900 . 3.900 3.693 3.602 3.797 . 0 0 "[ . 1 . 2]" 1
1411 1 21 LYS QE 1 23 SER HA 4.590 . 4.590 3.662 2.467 4.744 0.154 16 0 "[ . 1 . 2]" 1
1412 1 31 LYS QE 1 32 GLU QG 5.190 . 5.190 4.702 2.442 5.420 0.230 1 0 "[ . 1 . 2]" 1
1413 1 31 LYS QB 1 31 LYS QE 4.110 . 4.110 2.487 1.857 3.773 . 0 0 "[ . 1 . 2]" 1
1414 1 44 ASP HB2 1 71 VAL MG2 4.250 . 4.250 4.000 3.430 4.321 0.071 9 0 "[ . 1 . 2]" 1
1415 1 49 HIS HB2 1 50 PHE H 3.980 . 3.980 4.037 3.987 4.116 0.136 11 0 "[ . 1 . 2]" 1
1416 1 48 ILE QG 1 49 HIS HB2 4.440 . 4.440 4.319 4.229 4.436 . 0 0 "[ . 1 . 2]" 1
1417 1 56 THR MG 1 57 HIS HB3 5.210 . 5.210 5.227 5.141 5.286 0.076 13 0 "[ . 1 . 2]" 1
1418 1 57 HIS HB3 1 88 ASN HA 5.170 . 5.170 3.178 2.623 4.056 . 0 0 "[ . 1 . 2]" 1
1419 1 61 LEU HA 1 62 LYS HA 4.910 . 4.910 4.828 4.804 4.858 . 0 0 "[ . 1 . 2]" 1
1420 1 57 HIS HB3 1 59 LYS HA 5.190 . 5.190 5.001 4.741 5.139 . 0 0 "[ . 1 . 2]" 1
1421 1 59 LYS HA 1 62 LYS HA 5.670 . 5.670 5.065 4.776 5.202 . 0 0 "[ . 1 . 2]" 1
1422 1 62 LYS HA 1 62 LYS QE 4.560 . 4.560 4.185 4.035 4.283 . 0 0 "[ . 1 . 2]" 1
1423 1 62 LYS HA 1 62 LYS QD 4.010 . 4.010 2.680 2.301 2.818 . 0 0 "[ . 1 . 2]" 1
1424 1 62 LYS HA 1 62 LYS QG 3.900 . 3.900 2.355 2.260 2.590 . 0 0 "[ . 1 . 2]" 1
1425 1 84 ARG QD 1 85 ILE H 5.240 . 5.240 4.055 2.438 5.385 0.145 17 0 "[ . 1 . 2]" 1
1426 1 57 HIS H 1 57 HIS HB2 3.910 . 3.910 2.426 2.327 2.498 . 0 0 "[ . 1 . 2]" 1
1427 1 56 THR MG 1 57 HIS HB2 4.570 . 4.570 4.623 4.580 4.686 0.116 20 0 "[ . 1 . 2]" 1
1428 1 89 HIS HB2 1 94 LEU HG 5.200 . 5.200 4.880 4.667 5.062 . 0 0 "[ . 1 . 2]" 1
1429 1 58 LEU QD 1 89 HIS HB2 5.410 . 5.410 3.762 3.490 4.085 . 0 0 "[ . 1 . 2]" 1
1430 1 89 HIS HB2 1 94 LEU MD1 4.290 . 4.290 4.015 3.824 4.245 . 0 0 "[ . 1 . 2]" 1
1431 1 89 HIS HB2 1 90 THR H 4.210 . 4.210 4.200 4.108 4.245 0.035 18 0 "[ . 1 . 2]" 1
1432 1 40 VAL MG1 1 65 TYR HB2 5.570 . 5.570 5.453 5.218 5.595 0.025 9 0 "[ . 1 . 2]" 1
1433 1 48 ILE MD 1 65 TYR HB2 5.150 . 5.150 3.615 3.069 4.367 . 0 0 "[ . 1 . 2]" 1
1434 1 63 GLU HA 1 66 CYS HB2 4.580 . 4.580 4.005 3.782 4.475 . 0 0 "[ . 1 . 2]" 1
1435 1 79 LEU HB3 1 82 GLY HA3 5.360 . 5.360 4.991 4.580 5.418 0.058 20 0 "[ . 1 . 2]" 1
1436 1 80 PHE QD 1 81 GLU HA 4.640 . 4.640 4.625 4.525 4.687 0.047 12 0 "[ . 1 . 2]" 1
1437 1 80 PHE QE 1 81 GLU HA 5.510 . 5.510 5.488 5.429 5.553 0.043 13 0 "[ . 1 . 2]" 1
1438 1 81 GLU HA 1 82 GLY HA2 4.780 . 4.780 4.637 4.572 4.693 . 0 0 "[ . 1 . 2]" 1
1439 1 81 GLU HA 1 81 GLU HG2 3.980 . 3.980 3.866 3.792 3.913 . 0 0 "[ . 1 . 2]" 1
1440 1 59 LYS HA 1 87 ASP HA 3.740 . 3.740 2.849 2.558 3.091 . 0 0 "[ . 1 . 2]" 1
1441 1 59 LYS HA 1 62 LYS QD 3.920 . 3.920 2.126 1.924 2.599 . 0 0 "[ . 1 . 2]" 1
1442 1 59 LYS HA 1 62 LYS QG 4.650 . 4.650 3.390 2.762 3.546 . 0 0 "[ . 1 . 2]" 1
1443 1 72 PRO QD 1 75 SER HB2 4.830 . 4.830 4.584 4.371 4.812 . 0 0 "[ . 1 . 2]" 1
1444 1 66 CYS HA 1 72 PRO QD 6.000 . 6.000 5.774 5.474 5.906 . 0 0 "[ . 1 . 2]" 1
1445 1 70 GLY QA 1 72 PRO QD 6.000 . 6.000 5.227 4.997 5.344 . 0 0 "[ . 1 . 2]" 1
1446 1 59 LYS HA 1 62 LYS QB 4.240 . 4.240 2.440 2.141 2.644 . 0 0 "[ . 1 . 2]" 1
1447 1 37 LYS H 1 99 GLU HA 5.840 . 5.840 5.518 5.067 5.745 . 0 0 "[ . 1 . 2]" 1
1448 1 50 PHE HE2 1 61 LEU HA 5.190 . 5.190 5.231 5.138 5.283 0.093 11 0 "[ . 1 . 2]" 1
1449 1 98 GLU HA 1 99 GLU HA 4.700 . 4.700 4.424 4.314 4.503 . 0 0 "[ . 1 . 2]" 1
1450 1 42 GLY QA 1 43 GLN HA 4.260 . 4.260 3.953 3.935 3.973 . 0 0 "[ . 1 . 2]" 1
1451 1 40 VAL HB 1 42 GLY QA 5.980 . 5.980 5.513 5.364 5.634 . 0 0 "[ . 1 . 2]" 1
1452 1 61 LEU HA 1 63 GLU QB 5.490 . 5.490 4.730 4.419 4.990 . 0 0 "[ . 1 . 2]" 1
1453 1 41 ILE HB 1 42 GLY QA 4.510 . 4.510 4.396 4.336 4.471 . 0 0 "[ . 1 . 2]" 1
1454 1 61 LEU HA 1 61 LEU MD1 3.790 . 3.790 3.558 3.499 3.605 . 0 0 "[ . 1 . 2]" 1
1455 1 41 ILE H 1 42 GLY QA 5.250 . 5.250 4.517 4.441 4.572 . 0 0 "[ . 1 . 2]" 1
1456 1 42 GLY QA 1 106 GLN H 6.000 . 6.000 5.815 5.654 6.001 0.001 11 0 "[ . 1 . 2]" 1
1457 1 41 ILE HA 1 42 GLY QA 4.340 . 4.340 3.879 3.852 3.904 . 0 0 "[ . 1 . 2]" 1
1458 1 58 LEU H 1 87 ASP HA 5.620 . 5.620 4.722 4.409 5.005 . 0 0 "[ . 1 . 2]" 1
1459 1 91 PRO QD 1 94 LEU H 5.500 . 5.500 5.217 5.145 5.316 . 0 0 "[ . 1 . 2]" 1
1460 1 75 SER HB3 1 76 LEU HA 5.240 . 5.240 4.820 4.681 4.905 . 0 0 "[ . 1 . 2]" 1
1461 1 55 THR HB 1 91 PRO QD 5.040 . 5.040 4.975 4.784 5.097 0.057 1 0 "[ . 1 . 2]" 1
1462 1 90 THR HB 1 91 PRO QD 3.470 . 3.470 2.017 1.927 2.094 . 0 0 "[ . 1 . 2]" 1
1463 1 55 THR HA 1 91 PRO QD 3.380 . 3.380 3.041 2.754 3.202 . 0 0 "[ . 1 . 2]" 1
1464 1 85 ILE MG 1 87 ASP HA 4.010 . 4.010 3.429 3.246 3.669 . 0 0 "[ . 1 . 2]" 1
1465 1 91 PRO QD 1 94 LEU MD1 4.260 . 4.260 3.994 3.864 4.160 . 0 0 "[ . 1 . 2]" 1
1466 1 35 TYR HA 1 53 LYS HA 4.910 . 4.910 2.135 1.836 2.415 . 0 0 "[ . 1 . 2]" 1
1467 1 28 GLY QA 1 29 ASP HA 4.350 . 4.350 4.071 3.974 4.379 0.029 6 0 "[ . 1 . 2]" 1
1468 1 66 CYS HA 1 73 MET QG 4.500 . 4.500 3.567 2.820 4.139 . 0 0 "[ . 1 . 2]" 1
1469 1 27 LEU HA 1 28 GLY QA 4.620 . 4.620 4.081 3.855 4.467 . 0 0 "[ . 1 . 2]" 1
1470 1 67 GLN HA 1 70 GLY QA 3.970 . 3.970 3.950 3.860 4.032 0.062 19 0 "[ . 1 . 2]" 1
1471 1 92 LYS HA 1 95 GLY H 4.120 . 4.120 3.654 3.485 3.814 . 0 0 "[ . 1 . 2]" 1
1472 1 93 GLU HA 1 95 GLY H 4.430 . 4.430 3.793 3.707 3.951 . 0 0 "[ . 1 . 2]" 1
1473 1 53 LYS QB 1 56 THR HB 4.700 . 4.700 2.161 1.904 2.382 . 0 0 "[ . 1 . 2]" 1
1474 1 56 THR HB 1 90 THR MG 5.510 . 5.510 5.364 4.914 5.513 0.003 16 0 "[ . 1 . 2]" 1
1475 1 44 ASP HA 1 45 SER QB 5.270 . 5.270 4.272 3.984 4.436 . 0 0 "[ . 1 . 2]" 1
1476 1 63 GLU HA 1 66 CYS HB3 4.250 . 4.250 2.871 2.649 3.137 . 0 0 "[ . 1 . 2]" 1
1477 1 63 GLU HA 1 63 GLU HG3 4.070 . 4.070 3.200 3.126 3.249 . 0 0 "[ . 1 . 2]" 1
1478 1 67 GLN QB 1 68 ARG HA 4.510 . 4.510 3.927 3.839 4.001 . 0 0 "[ . 1 . 2]" 1
1479 1 41 ILE MG 1 45 SER QB 5.280 . 5.280 4.741 4.421 5.058 . 0 0 "[ . 1 . 2]" 1
1480 1 50 PHE HB3 1 64 SER QB 4.990 . 4.990 3.850 3.575 4.148 . 0 0 "[ . 1 . 2]" 1
1481 1 68 ARG HA 1 68 ARG QG 3.530 . 3.530 2.775 2.345 3.075 . 0 0 "[ . 1 . 2]" 1
1482 1 48 ILE HB 1 65 TYR HA 3.630 . 3.630 3.371 3.009 3.637 0.007 13 0 "[ . 1 . 2]" 1
1483 1 42 GLY H 1 45 SER HA 5.210 . 5.210 4.579 4.256 4.788 . 0 0 "[ . 1 . 2]" 1
1484 1 63 GLU H 1 64 SER QB 5.520 . 5.520 4.723 4.419 4.894 . 0 0 "[ . 1 . 2]" 1
1485 1 44 ASP HA 1 45 SER HA 5.150 . 5.150 5.137 5.099 5.158 0.008 9 0 "[ . 1 . 2]" 1
1486 1 65 TYR HA 1 65 TYR HE1 5.300 . 5.300 5.020 4.917 5.129 . 0 0 "[ . 1 . 2]" 1
1487 1 65 TYR HA 1 69 GLN QB 4.130 . 4.130 4.058 3.951 4.148 0.018 15 0 "[ . 1 . 2]" 1
1488 1 48 ILE MG 1 65 TYR HA 3.680 . 3.680 3.190 3.020 3.443 . 0 0 "[ . 1 . 2]" 1
1489 1 66 CYS H 1 67 GLN HA 5.390 . 5.390 5.260 5.192 5.336 . 0 0 "[ . 1 . 2]" 1
1490 1 43 GLN HA 1 46 SER H 5.920 . 5.920 5.560 5.400 5.773 . 0 0 "[ . 1 . 2]" 1
1491 1 54 MET HA 1 92 LYS H 6.000 . 6.000 5.409 4.647 5.623 . 0 0 "[ . 1 . 2]" 1
1492 1 66 CYS HB3 1 67 GLN HA 4.720 . 4.720 4.401 4.279 4.616 . 0 0 "[ . 1 . 2]" 1
1493 1 60 LYS HA 1 63 GLU HG2 5.070 . 5.070 4.618 4.286 5.014 . 0 0 "[ . 1 . 2]" 1
1494 1 54 MET HA 1 56 THR MG 5.900 . 5.900 5.088 4.845 5.378 . 0 0 "[ . 1 . 2]" 1
1495 1 81 GLU HG3 1 82 GLY HA2 6.000 . 6.000 5.383 5.253 5.541 . 0 0 "[ . 1 . 2]" 1
1496 1 36 ILE HG13 1 54 MET HA 4.760 . 4.760 4.331 2.982 4.822 0.062 1 0 "[ . 1 . 2]" 1
1497 1 18 GLN QG 1 19 GLU HA 4.980 . 4.980 4.133 3.596 5.417 0.437 8 0 "[ . 1 . 2]" 1
1498 1 83 GLN QG 1 94 LEU HA 5.410 . 5.410 3.799 3.212 4.224 . 0 0 "[ . 1 . 2]" 1
1499 1 98 GLU HA 1 99 GLU QB 5.740 . 5.740 4.405 4.273 4.869 . 0 0 "[ . 1 . 2]" 1
1500 1 93 GLU HB3 1 94 LEU HA 4.440 . 4.440 4.221 3.974 4.394 . 0 0 "[ . 1 . 2]" 1
1501 1 89 HIS HD2 1 94 LEU HA 5.550 . 5.550 4.281 3.937 4.598 . 0 0 "[ . 1 . 2]" 1
1502 1 90 THR HB 1 91 PRO HA 4.910 . 4.910 4.947 4.927 4.964 0.054 15 0 "[ . 1 . 2]" 1
1503 1 97 GLU HA 1 98 GLU HA 5.420 . 5.420 4.329 4.287 4.368 . 0 0 "[ . 1 . 2]" 1
1504 1 56 THR HA 1 57 HIS HA 5.770 . 5.770 4.353 4.327 4.378 . 0 0 "[ . 1 . 2]" 1
1505 1 57 HIS HA 1 88 ASN HA 6.000 . 6.000 3.938 3.355 4.683 . 0 0 "[ . 1 . 2]" 1
1506 1 25 GLU HA 1 26 ASP QB 5.030 . 5.030 4.309 3.851 5.092 0.062 6 0 "[ . 1 . 2]" 1
1507 1 59 LYS HG3 1 88 ASN HA 5.860 . 5.860 5.741 5.183 5.874 0.014 14 0 "[ . 1 . 2]" 1
1508 1 69 GLN HA 1 71 VAL MG1 4.560 . 4.560 4.290 4.044 4.440 . 0 0 "[ . 1 . 2]" 1
1509 1 20 ALA HA 1 21 LYS HA 5.530 . 5.530 4.350 4.287 4.495 . 0 0 "[ . 1 . 2]" 1
1510 1 25 GLU HA 1 26 ASP HA 5.570 . 5.570 4.397 4.245 5.091 . 0 0 "[ . 1 . 2]" 1
1511 1 36 ILE MD 1 91 PRO HA 5.330 . 5.330 4.839 4.617 5.101 . 0 0 "[ . 1 . 2]" 1
1512 1 32 GLU HA 1 33 GLY QA 4.310 . 4.310 4.066 3.864 4.414 0.104 3 0 "[ . 1 . 2]" 1
1513 1 33 GLY QA 1 34 GLU HA 4.610 . 4.610 3.929 3.888 4.026 . 0 0 "[ . 1 . 2]" 1
1514 1 34 GLU HA 1 35 TYR HA 4.540 . 4.540 4.375 4.319 4.478 . 0 0 "[ . 1 . 2]" 1
1515 1 17 ASP QB 1 18 GLN HA 5.680 . 5.680 4.513 3.772 4.846 . 0 0 "[ . 1 . 2]" 1
1516 1 29 ASP QB 1 30 LYS HA 6.000 . 6.000 4.236 3.808 4.549 . 0 0 "[ . 1 . 2]" 1
1517 1 64 SER HA 1 67 GLN HA 5.600 . 5.600 5.409 5.166 5.587 . 0 0 "[ . 1 . 2]" 1
1518 1 64 SER HA 1 67 GLN HG2 5.000 . 5.000 3.987 3.786 4.351 . 0 0 "[ . 1 . 2]" 1
1519 1 55 THR HA 1 90 THR HB 4.590 . 4.590 3.159 2.855 3.424 . 0 0 "[ . 1 . 2]" 1
1520 1 46 SER HA 1 47 GLU HA 5.690 . 5.690 4.471 4.358 4.515 . 0 0 "[ . 1 . 2]" 1
1521 1 47 GLU HA 1 48 ILE HA 6.000 . 6.000 4.433 4.379 4.485 . 0 0 "[ . 1 . 2]" 1
1522 1 83 GLN HB3 1 84 ARG HA 4.930 . 4.930 4.645 4.443 4.814 . 0 0 "[ . 1 . 2]" 1
1523 1 79 LEU HA 1 84 ARG HA 5.050 . 5.050 3.079 2.647 3.395 . 0 0 "[ . 1 . 2]" 1
1524 1 90 THR HB 1 94 LEU MD1 5.910 . 5.910 5.374 5.263 5.464 . 0 0 "[ . 1 . 2]" 1
1525 1 76 LEU HA 1 106 GLN HA 5.270 . 5.270 2.328 2.144 2.563 . 0 0 "[ . 1 . 2]" 1
1526 1 35 TYR HA 1 36 ILE HA 4.620 . 4.620 4.380 4.317 4.432 . 0 0 "[ . 1 . 2]" 1
1527 1 37 LYS HA 1 52 VAL H 4.520 . 4.520 3.244 2.996 3.455 . 0 0 "[ . 1 . 2]" 1
1528 1 39 LYS HA 1 49 HIS HA 4.120 . 4.120 2.464 2.373 2.519 . 0 0 "[ . 1 . 2]" 1
1529 1 49 HIS HA 1 50 PHE HB3 5.120 . 5.120 4.745 4.687 4.787 . 0 0 "[ . 1 . 2]" 1
1530 1 61 LEU MD2 1 62 LYS QE 3.880 . 3.880 3.756 3.519 3.969 0.089 20 0 "[ . 1 . 2]" 1
1531 1 84 ARG HA 1 94 LEU MD2 5.450 . 5.450 5.300 5.170 5.449 . 0 0 "[ . 1 . 2]" 1
1532 1 93 GLU QG 1 94 LEU MD2 4.240 . 4.240 4.087 3.907 4.295 0.055 18 0 "[ . 1 . 2]" 1
1533 1 83 GLN HB3 1 94 LEU MD2 3.750 . 3.750 2.275 2.048 2.415 . 0 0 "[ . 1 . 2]" 1
1534 1 94 LEU QB 1 94 LEU MD2 3.180 . 3.180 2.201 2.176 2.216 . 0 0 "[ . 1 . 2]" 1
1535 1 85 ILE MD 1 94 LEU MD2 2.830 . 2.830 2.151 2.058 2.242 . 0 0 "[ . 1 . 2]" 1
1536 1 83 GLN HB3 1 94 LEU MD1 4.350 . 4.350 4.325 4.064 4.456 0.106 16 0 "[ . 1 . 2]" 1
1537 1 85 ILE QG 1 94 LEU MD1 3.790 . 3.790 2.170 2.069 2.274 . 0 0 "[ . 1 . 2]" 1
1538 1 79 LEU MD2 1 105 TYR H 4.900 . 4.900 4.931 4.875 4.986 0.086 7 0 "[ . 1 . 2]" 1
1539 1 101 VAL QG 1 102 ILE MD 4.200 . 4.200 3.977 3.926 4.040 . 0 0 "[ . 1 . 2]" 1
1540 1 83 GLN HA 1 85 ILE MD 4.070 . 4.070 4.104 4.014 4.192 0.122 4 0 "[ . 1 . 2]" 1
1541 1 48 ILE MG 1 50 PHE HB3 4.660 . 4.660 4.142 3.939 4.290 . 0 0 "[ . 1 . 2]" 1
1542 1 79 LEU MD1 1 105 TYR HB3 4.110 . 4.110 4.053 3.845 4.181 0.071 12 0 "[ . 1 . 2]" 1
1543 1 83 GLN QG 1 85 ILE MD 4.360 . 4.360 3.826 3.715 3.985 . 0 0 "[ . 1 . 2]" 1
1544 1 52 VAL MG2 1 56 THR MG 3.420 . 3.420 2.861 2.752 3.043 . 0 0 "[ . 1 . 2]" 1
1545 1 56 THR MG 1 58 LEU QD 3.760 . 3.760 2.886 2.733 3.004 . 0 0 "[ . 1 . 2]" 1
1546 1 79 LEU HB3 1 79 LEU MD1 2.940 . 2.940 2.351 2.333 2.368 . 0 0 "[ . 1 . 2]" 1
1547 1 58 LEU QD 1 90 THR MG 4.310 . 4.310 4.218 4.120 4.320 0.010 12 0 "[ . 1 . 2]" 1
1548 1 36 ILE MD 1 52 VAL MG2 3.190 . 3.190 2.760 2.348 3.086 . 0 0 "[ . 1 . 2]" 1
1549 1 46 SER H 1 71 VAL MG2 5.820 . 5.820 5.887 5.720 5.957 0.137 7 0 "[ . 1 . 2]" 1
1550 1 48 ILE MD 1 68 ARG QB 3.650 . 3.650 2.280 2.052 2.581 . 0 0 "[ . 1 . 2]" 1
1551 1 38 LEU QD 1 50 PHE QD 4.170 . 4.170 2.624 2.440 2.747 . 0 0 "[ . 1 . 2]" 1
1552 1 38 LEU QD 1 50 PHE HE1 4.400 . 4.400 1.924 1.832 2.013 . 0 0 "[ . 1 . 2]" 1
1553 1 39 LYS HG2 1 48 ILE H 4.000 . 4.000 3.329 3.034 3.530 . 0 0 "[ . 1 . 2]" 1
1554 1 39 LYS HG2 1 47 GLU QG 4.050 . 4.050 3.817 3.156 4.134 0.084 20 0 "[ . 1 . 2]" 1
1555 1 39 LYS HG2 1 47 GLU HB2 3.650 . 3.650 2.788 2.512 3.209 . 0 0 "[ . 1 . 2]" 1
1556 1 56 THR H 1 90 THR MG 4.220 . 4.220 2.856 2.447 3.068 . 0 0 "[ . 1 . 2]" 1
1557 1 90 THR MG 1 92 LYS QG 4.260 . 4.260 3.336 3.221 3.495 . 0 0 "[ . 1 . 2]" 1
1558 1 101 VAL QG 1 103 GLU HG3 3.910 . 3.910 3.635 3.453 3.952 0.042 12 0 "[ . 1 . 2]" 1
1559 1 54 MET HA 1 55 THR MG 3.990 . 3.990 4.155 4.111 4.209 0.219 20 0 "[ . 1 . 2]" 1
1560 1 81 GLU HG2 1 82 GLY HA3 5.700 . 5.700 5.573 5.404 5.703 0.003 2 0 "[ . 1 . 2]" 1
1561 1 80 PHE HB2 1 81 GLU HG2 4.720 . 4.720 4.761 4.688 4.841 0.121 15 0 "[ . 1 . 2]" 1
1562 1 40 VAL H 1 48 ILE QG 5.420 . 5.420 5.111 5.021 5.198 . 0 0 "[ . 1 . 2]" 1
1563 1 37 LYS QG 1 38 LEU H 4.800 . 4.800 4.054 3.597 4.640 . 0 0 "[ . 1 . 2]" 1
1564 1 48 ILE QG 1 69 GLN HE22 4.220 . 4.220 3.656 3.453 3.846 . 0 0 "[ . 1 . 2]" 1
1565 1 57 HIS HB2 1 59 LYS HG3 6.000 . 6.000 5.917 5.615 6.059 0.059 18 0 "[ . 1 . 2]" 1
1566 1 79 LEU HB3 1 84 ARG QD 6.000 . 6.000 5.630 4.952 6.264 0.264 4 0 "[ . 1 . 2]" 1
1567 1 79 LEU HB3 1 102 ILE MG 5.350 . 5.350 5.131 5.009 5.268 . 0 0 "[ . 1 . 2]" 1
1568 1 92 LYS QG 1 95 GLY H 5.380 . 5.380 5.109 4.947 5.391 0.011 1 0 "[ . 1 . 2]" 1
1569 1 36 ILE HG12 1 54 MET HA 4.130 . 4.130 3.327 2.951 4.024 . 0 0 "[ . 1 . 2]" 1
1570 1 36 ILE HG12 1 91 PRO QB 4.570 . 4.570 4.306 4.082 4.432 . 0 0 "[ . 1 . 2]" 1
1571 1 81 GLU HG3 1 83 GLN HB2 4.870 . 4.870 4.430 4.192 4.594 . 0 0 "[ . 1 . 2]" 1
1572 1 94 LEU H 1 94 LEU HG 3.890 . 3.890 2.414 2.309 2.583 . 0 0 "[ . 1 . 2]" 1
1573 1 31 LYS HA 1 31 LYS QG 3.480 . 3.480 2.790 2.075 3.484 0.004 5 0 "[ . 1 . 2]" 1
1574 1 85 ILE QG 1 94 LEU HG 3.880 . 3.880 3.814 3.724 3.905 0.025 9 0 "[ . 1 . 2]" 1
1575 1 36 ILE MD 1 38 LEU HB2 4.520 . 4.520 4.546 4.377 4.594 0.074 16 0 "[ . 1 . 2]" 1
1576 1 39 LYS QD 1 47 GLU HB2 3.270 . 3.270 2.781 2.152 3.330 0.060 11 0 "[ . 1 . 2]" 1
1577 1 79 LEU MD2 1 85 ILE HB 4.210 . 4.210 4.233 4.095 4.298 0.088 1 0 "[ . 1 . 2]" 1
1578 1 85 ILE HB 1 89 HIS H 5.820 . 5.820 5.561 5.437 5.739 . 0 0 "[ . 1 . 2]" 1
1579 1 39 LYS QD 1 47 GLU QG 4.240 . 4.240 3.807 3.252 4.282 0.042 20 0 "[ . 1 . 2]" 1
1580 1 85 ILE HB 1 85 ILE MD 3.250 . 3.250 2.353 2.324 2.382 . 0 0 "[ . 1 . 2]" 1
1581 1 37 LYS H 1 37 LYS QD 4.180 . 4.180 3.600 1.742 4.190 0.058 8 0 "[ . 1 . 2]" 1
1582 1 77 ARG QB 1 78 PHE HA 4.430 . 4.430 4.445 4.396 4.516 0.086 4 0 "[ . 1 . 2]" 1
1583 1 21 LYS H 1 21 LYS QD 4.230 . 4.230 3.351 2.019 4.138 . 0 0 "[ . 1 . 2]" 1
1584 1 77 ARG QB 1 78 PHE H 3.820 . 3.820 2.250 2.131 2.383 . 0 0 "[ . 1 . 2]" 1
1585 1 36 ILE HB 1 37 LYS H 3.530 . 3.530 2.518 2.255 2.754 . 0 0 "[ . 1 . 2]" 1
1586 1 26 ASP QB 1 27 LEU HG 4.890 . 4.890 4.403 2.232 5.225 0.335 10 0 "[ . 1 . 2]" 1
1587 1 105 TYR HB3 1 107 GLU HB3 4.650 . 4.650 4.687 4.378 4.853 0.203 4 0 "[ . 1 . 2]" 1
1588 1 36 ILE HB 1 98 GLU QG 4.140 . 4.140 3.935 3.669 4.195 0.055 14 0 "[ . 1 . 2]" 1
1589 1 62 LYS QB 1 63 GLU H 4.070 . 4.070 2.447 2.313 2.619 . 0 0 "[ . 1 . 2]" 1
1590 1 60 LYS QD 1 64 SER H 5.030 . 5.030 4.478 4.072 4.884 . 0 0 "[ . 1 . 2]" 1
1591 1 62 LYS QB 1 64 SER H 5.320 . 5.320 4.679 4.590 4.826 . 0 0 "[ . 1 . 2]" 1
1592 1 50 PHE QD 1 60 LYS QD 4.430 . 4.430 4.269 3.739 4.536 0.106 13 0 "[ . 1 . 2]" 1
1593 1 60 LYS QD 1 61 LEU HA 4.480 . 4.480 2.614 2.339 2.924 . 0 0 "[ . 1 . 2]" 1
1594 1 61 LEU HG 1 62 LYS QB 4.330 . 4.330 3.999 3.911 4.067 . 0 0 "[ . 1 . 2]" 1
1595 1 62 LYS QB 1 65 TYR HB2 5.470 . 5.470 5.159 5.091 5.309 . 0 0 "[ . 1 . 2]" 1
1596 1 81 GLU HB2 1 83 GLN H 6.000 . 6.000 5.253 5.164 5.352 . 0 0 "[ . 1 . 2]" 1
1597 1 83 GLN H 1 84 ARG QB 6.000 . 6.000 5.777 5.510 5.971 . 0 0 "[ . 1 . 2]" 1
1598 1 59 LYS H 1 60 LYS QB 5.270 . 5.270 4.625 4.227 4.925 . 0 0 "[ . 1 . 2]" 1
1599 1 79 LEU HB2 1 105 TYR H 5.690 . 5.690 4.741 4.534 4.907 . 0 0 "[ . 1 . 2]" 1
1600 1 79 LEU HB2 1 80 PHE H 3.770 . 3.770 3.916 3.833 3.995 0.225 15 0 "[ . 1 . 2]" 1
1601 1 34 GLU QB 1 35 TYR HA 4.830 . 4.830 4.221 3.860 4.520 . 0 0 "[ . 1 . 2]" 1
1602 1 47 GLU HA 1 48 ILE HB 5.190 . 5.190 4.330 4.271 4.414 . 0 0 "[ . 1 . 2]" 1
1603 1 79 LEU HB2 1 104 VAL HA 4.840 . 4.840 4.875 4.726 4.982 0.142 19 0 "[ . 1 . 2]" 1
1604 1 96 MET ME 1 100 ASP HB3 4.840 . 4.840 3.898 3.443 4.210 . 0 0 "[ . 1 . 2]" 1
1605 1 78 PHE HB3 1 85 ILE QG 4.550 . 4.550 4.332 4.039 4.590 0.040 4 0 "[ . 1 . 2]" 1
1606 1 94 LEU QB 1 96 MET ME 3.710 . 3.710 3.323 3.131 3.501 . 0 0 "[ . 1 . 2]" 1
1607 1 38 LEU HB2 1 96 MET ME 4.440 . 4.440 4.212 3.920 4.452 0.012 6 0 "[ . 1 . 2]" 1
1608 1 36 ILE H 1 98 GLU HB3 5.530 . 5.530 5.363 5.222 5.584 0.054 14 0 "[ . 1 . 2]" 1
1609 1 40 VAL H 1 47 GLU HB2 4.610 . 4.610 3.511 3.322 3.949 . 0 0 "[ . 1 . 2]" 1
1610 1 92 LYS H 1 96 MET QG 5.050 . 5.050 5.000 4.840 5.224 0.174 3 0 "[ . 1 . 2]" 1
1611 1 36 ILE MG 1 98 GLU HB3 3.440 . 3.440 2.154 1.965 2.266 . 0 0 "[ . 1 . 2]" 1
1612 1 94 LEU H 1 96 MET QG 5.490 . 5.490 4.056 3.776 4.303 . 0 0 "[ . 1 . 2]" 1
1613 1 42 GLY QA 1 103 GLU QB 5.150 . 5.150 4.935 4.675 5.195 0.045 4 0 "[ . 1 . 2]" 1
1614 1 65 TYR HB2 1 68 ARG QB 5.580 . 5.580 5.388 5.175 5.622 0.042 4 0 "[ . 1 . 2]" 1
1615 1 32 GLU QB 1 33 GLY QA 4.070 . 4.070 3.854 3.411 4.145 0.075 11 0 "[ . 1 . 2]" 1
1616 1 39 LYS QE 1 101 VAL HB 4.110 . 4.110 3.046 2.422 3.552 . 0 0 "[ . 1 . 2]" 1
1617 1 89 HIS HA 1 93 GLU HB3 4.530 . 4.530 4.239 3.953 4.421 . 0 0 "[ . 1 . 2]" 1
1618 1 73 MET QB 1 74 ASN HA 4.230 . 4.230 4.044 3.986 4.103 . 0 0 "[ . 1 . 2]" 1
1619 1 72 PRO QG 1 75 SER HB2 3.710 . 3.710 2.665 2.437 2.874 . 0 0 "[ . 1 . 2]" 1
1620 1 66 CYS HA 1 73 MET ME 4.030 . 4.030 3.620 2.975 3.957 . 0 0 "[ . 1 . 2]" 1
1621 1 65 TYR HB2 1 73 MET ME 4.610 . 4.610 4.414 4.003 4.660 0.050 6 0 "[ . 1 . 2]" 1
1622 1 43 GLN HB2 1 43 GLN QG 2.780 . 2.780 2.164 2.159 2.170 . 0 0 "[ . 1 . 2]" 1
1623 1 73 MET ME 1 76 LEU QD 3.310 . 3.310 1.781 1.731 1.851 0.069 11 0 "[ . 1 . 2]" 1
1624 1 80 PHE QD 1 83 GLN HB2 5.040 . 5.040 3.113 2.934 3.309 . 0 0 "[ . 1 . 2]" 1
1625 1 79 LEU HA 1 83 GLN HB3 5.090 . 5.090 4.961 4.630 5.135 0.045 7 0 "[ . 1 . 2]" 1
1626 1 67 GLN QB 1 68 ARG QD 5.300 . 5.300 4.937 4.264 5.467 0.167 4 0 "[ . 1 . 2]" 1
1627 1 40 VAL HB 1 102 ILE H 4.500 . 4.500 3.527 3.301 3.666 . 0 0 "[ . 1 . 2]" 1
1628 1 40 VAL HB 1 102 ILE MG 3.550 . 3.550 3.243 3.134 3.482 . 0 0 "[ . 1 . 2]" 1
1629 1 93 GLU QG 1 95 GLY H 5.030 . 5.030 5.063 4.985 5.106 0.076 4 0 "[ . 1 . 2]" 1
1630 1 89 HIS HB3 1 93 GLU QG 5.830 . 5.830 5.491 5.250 5.630 . 0 0 "[ . 1 . 2]" 1
1631 1 93 GLU QG 1 94 LEU HG 4.220 . 4.220 4.182 3.993 4.311 0.091 18 0 "[ . 1 . 2]" 1
1632 1 83 GLN QG 1 94 LEU QB 3.830 . 3.830 3.480 3.134 3.665 . 0 0 "[ . 1 . 2]" 1
1633 1 99 GLU QG 1 100 ASP HA 5.220 . 5.220 4.668 4.351 5.697 0.477 5 0 "[ . 1 . 2]" 1
1634 1 43 GLN QG 1 105 TYR HA 5.400 . 5.400 4.641 4.049 5.451 0.051 10 0 "[ . 1 . 2]" 1
1635 1 72 PRO QB 1 75 SER HA 4.590 . 4.590 4.469 4.293 4.620 0.030 12 0 "[ . 1 . 2]" 1
1636 1 37 LYS QE 1 99 GLU QG 4.090 . 4.090 3.397 1.841 4.147 0.057 17 0 "[ . 1 . 2]" 1
1637 1 66 CYS HB3 1 67 GLN HG2 4.430 . 4.430 3.373 3.202 3.646 . 0 0 "[ . 1 . 2]" 1
1638 1 87 ASP QB 1 88 ASN HA 5.490 . 5.490 4.442 4.353 4.893 . 0 0 "[ . 1 . 2]" 1
1639 1 80 PHE HB3 1 94 LEU QB 4.400 . 4.400 3.877 3.625 4.044 . 0 0 "[ . 1 . 2]" 1
1640 1 71 VAL MG2 1 73 MET QG 4.410 . 4.410 3.904 3.088 4.361 . 0 0 "[ . 1 . 2]" 1
1641 1 80 PHE HB3 1 102 ILE MD 4.310 . 4.310 3.320 3.190 3.476 . 0 0 "[ . 1 . 2]" 1
1642 1 39 LYS QE 1 47 GLU QG 5.800 . 5.800 5.185 4.229 5.884 0.084 18 0 "[ . 1 . 2]" 1
1643 1 58 LEU HG 1 89 HIS HB3 4.330 . 4.330 3.743 3.284 4.066 . 0 0 "[ . 1 . 2]" 1
1644 1 65 TYR HB3 1 67 GLN H 4.880 . 4.880 4.744 4.692 4.818 . 0 0 "[ . 1 . 2]" 1
1645 1 78 PHE HB2 1 104 VAL HA 5.680 . 5.680 5.388 5.302 5.449 . 0 0 "[ . 1 . 2]" 1
1646 1 38 LEU H 1 50 PHE HB2 5.430 . 5.430 4.960 4.863 5.070 . 0 0 "[ . 1 . 2]" 1
1647 1 77 ARG QD 1 107 GLU HB2 4.520 . 4.520 3.769 3.337 4.275 . 0 0 "[ . 1 . 2]" 1
1648 1 42 GLY QA 1 44 ASP HB2 5.120 . 5.120 4.458 4.221 4.709 . 0 0 "[ . 1 . 2]" 1
1649 1 60 LYS QE 1 61 LEU HA 5.360 . 5.360 4.268 3.744 4.858 . 0 0 "[ . 1 . 2]" 1
1650 1 31 LYS QE 1 33 GLY H 6.000 . 6.000 4.924 3.782 6.086 0.086 5 0 "[ . 1 . 2]" 1
1651 1 42 GLY H 1 44 ASP HB2 6.000 . 6.000 5.788 5.540 6.010 0.010 6 0 "[ . 1 . 2]" 1
1652 1 44 ASP HB2 1 46 SER H 4.560 . 4.560 4.272 4.107 4.456 . 0 0 "[ . 1 . 2]" 1
1653 1 21 LYS QE 1 23 SER QB 5.070 . 5.070 4.088 1.821 5.236 0.166 11 0 "[ . 1 . 2]" 1
1654 1 62 LYS HA 1 65 TYR HB2 3.970 . 3.970 3.194 3.070 3.361 . 0 0 "[ . 1 . 2]" 1
1655 1 57 HIS HB3 1 59 LYS HB3 4.670 . 4.670 3.242 2.869 3.631 . 0 0 "[ . 1 . 2]" 1
1656 1 35 TYR QE 1 53 LYS QE 5.180 . 5.180 3.003 2.117 4.626 . 0 0 "[ . 1 . 2]" 1
1657 1 59 LYS HA 1 60 LYS HA 5.030 . 5.030 4.827 4.764 4.894 . 0 0 "[ . 1 . 2]" 1
1658 1 59 LYS HA 1 87 ASP QB 4.380 . 4.380 3.270 2.716 3.614 . 0 0 "[ . 1 . 2]" 1
1659 1 59 LYS HA 1 59 LYS HG3 3.870 . 3.870 3.548 3.268 3.611 . 0 0 "[ . 1 . 2]" 1
1660 1 61 LEU HA 1 64 SER HA 5.360 . 5.360 5.029 4.824 5.245 . 0 0 "[ . 1 . 2]" 1
1661 1 53 LYS HA 1 54 MET HA 4.470 . 4.470 4.352 4.335 4.372 . 0 0 "[ . 1 . 2]" 1
1662 1 70 GLY QA 1 71 VAL MG1 4.060 . 4.060 3.845 3.744 3.962 . 0 0 "[ . 1 . 2]" 1
1663 1 63 GLU HA 1 66 CYS H 4.520 . 4.520 3.495 3.374 3.698 . 0 0 "[ . 1 . 2]" 1
1664 1 54 MET HA 1 54 MET ME 3.870 . 3.870 1.899 1.824 2.059 . 0 0 "[ . 1 . 2]" 1
1665 1 23 SER HA 1 24 THR HB 5.330 . 5.330 4.826 4.244 5.586 0.256 5 0 "[ . 1 . 2]" 1
1666 1 77 ARG HA 1 78 PHE HA 5.230 . 5.230 4.333 4.311 4.366 . 0 0 "[ . 1 . 2]" 1
1667 1 37 LYS HA 1 38 LEU HB3 5.540 . 5.540 5.624 5.544 5.701 0.161 14 0 "[ . 1 . 2]" 1
1668 1 39 LYS HA 1 50 PHE HE2 5.070 . 5.070 4.064 3.835 4.313 . 0 0 "[ . 1 . 2]" 1
1669 1 73 MET HA 1 78 PHE HE1 5.680 . 5.680 3.534 3.284 3.753 . 0 0 "[ . 1 . 2]" 1
1670 1 89 HIS HB3 1 90 THR H 3.890 . 3.890 3.246 3.027 3.378 . 0 0 "[ . 1 . 2]" 1
1671 1 78 PHE QD 1 102 ILE HB 4.170 . 4.170 3.554 3.279 3.806 . 0 0 "[ . 1 . 2]" 1
1672 1 80 PHE QE 1 101 VAL QG 3.620 . 3.620 3.559 3.373 3.733 0.113 3 0 "[ . 1 . 2]" 1
1673 1 76 LEU QD 1 78 PHE HE1 4.630 . 4.630 2.453 2.274 2.866 . 0 0 "[ . 1 . 2]" 1
1674 1 58 LEU QD 1 90 THR H 5.070 . 5.070 4.322 4.140 4.437 . 0 0 "[ . 1 . 2]" 1
1675 1 91 PRO QB 1 94 LEU H 5.270 . 5.270 4.977 4.878 5.106 . 0 0 "[ . 1 . 2]" 1
1676 1 60 LYS H 1 61 LEU MD1 6.000 . 6.000 5.905 5.769 5.984 . 0 0 "[ . 1 . 2]" 1
1677 1 60 LYS H 1 61 LEU MD2 5.040 . 5.040 4.736 4.632 4.846 . 0 0 "[ . 1 . 2]" 1
1678 1 69 GLN HE21 1 70 GLY H 5.200 . 5.200 4.203 4.101 4.282 . 0 0 "[ . 1 . 2]" 1
1679 1 61 LEU HB2 1 62 LYS H 4.200 . 4.200 4.089 4.017 4.133 . 0 0 "[ . 1 . 2]" 1
1680 1 103 GLU QB 1 104 VAL H 3.670 . 3.670 3.156 2.872 3.443 . 0 0 "[ . 1 . 2]" 1
1681 1 43 GLN H 1 104 VAL H 4.990 . 4.990 4.561 4.269 5.005 0.015 7 0 "[ . 1 . 2]" 1
1682 1 65 TYR HB2 1 68 ARG H 5.900 . 5.900 5.759 5.664 5.902 0.002 4 0 "[ . 1 . 2]" 1
1683 1 83 GLN H 1 83 GLN HB3 3.770 . 3.770 3.577 3.520 3.640 . 0 0 "[ . 1 . 2]" 1
1684 1 68 ARG H 1 69 GLN QB 4.390 . 4.390 4.435 4.376 4.477 0.087 4 0 "[ . 1 . 2]" 1
1685 1 68 ARG H 1 70 GLY H 3.910 . 3.910 3.505 3.426 3.605 . 0 0 "[ . 1 . 2]" 1
1686 1 92 LYS H 1 93 GLU HB2 4.640 . 4.640 4.590 4.248 4.709 0.069 16 0 "[ . 1 . 2]" 1
1687 1 92 LYS H 1 94 LEU QB 5.160 . 5.160 4.948 4.871 5.062 . 0 0 "[ . 1 . 2]" 1
1688 1 64 SER H 1 67 GLN H 5.120 . 5.120 4.677 4.610 4.737 . 0 0 "[ . 1 . 2]" 1
1689 1 67 GLN H 1 67 GLN QB 3.540 . 3.540 2.367 2.283 2.457 . 0 0 "[ . 1 . 2]" 1
1690 1 98 GLU H 1 98 GLU QG 3.810 . 3.810 2.125 1.762 2.484 0.038 12 0 "[ . 1 . 2]" 1
1691 1 37 LYS H 1 98 GLU H 5.780 . 5.780 5.384 4.953 5.719 . 0 0 "[ . 1 . 2]" 1
1692 1 30 LYS QG 1 31 LYS H 5.900 . 5.900 3.873 2.256 4.901 . 0 0 "[ . 1 . 2]" 1
1693 1 75 SER HB3 1 107 GLU H 4.940 . 4.940 4.854 4.732 4.966 0.026 14 0 "[ . 1 . 2]" 1
1694 1 59 LYS HA 1 63 GLU H 4.340 . 4.340 4.325 4.114 4.407 0.067 4 0 "[ . 1 . 2]" 1
1695 1 109 THR HB 1 110 GLY H 4.630 . 4.630 3.996 2.746 4.621 . 0 0 "[ . 1 . 2]" 1
1696 1 59 LYS H 1 88 ASN HA 5.040 . 5.040 4.346 3.848 4.997 . 0 0 "[ . 1 . 2]" 1
1697 1 53 LYS H 1 56 THR MG 4.140 . 4.140 2.161 1.901 2.388 . 0 0 "[ . 1 . 2]" 1
1698 1 39 LYS H 1 40 VAL H 4.360 . 4.360 4.280 4.237 4.312 . 0 0 "[ . 1 . 2]" 1
1699 1 39 LYS H 1 40 VAL HA 4.840 . 4.840 4.665 4.627 4.706 . 0 0 "[ . 1 . 2]" 1
1700 1 22 PRO HD2 1 23 SER H 5.430 . 5.430 4.361 2.624 5.389 . 0 0 "[ . 1 . 2]" 1
1701 1 37 LYS H 1 37 LYS HB3 3.340 . 3.340 2.986 2.728 3.279 . 0 0 "[ . 1 . 2]" 1
1702 1 66 CYS H 1 73 MET H 5.630 . 5.630 5.560 5.133 5.671 0.041 4 0 "[ . 1 . 2]" 1
1703 1 40 VAL MG1 1 48 ILE H 4.470 . 4.470 4.423 4.153 4.550 0.080 9 0 "[ . 1 . 2]" 1
1704 1 43 GLN HB3 1 106 GLN H 4.780 . 4.780 3.250 2.852 3.641 . 0 0 "[ . 1 . 2]" 1
1705 1 106 GLN HE22 1 108 GLN H 5.120 . 5.120 4.463 3.297 5.226 0.106 15 0 "[ . 1 . 2]" 1
1706 1 58 LEU QD 1 87 ASP H 5.530 . 5.530 5.148 4.943 5.284 . 0 0 "[ . 1 . 2]" 1
1707 1 57 HIS H 1 57 HIS HD2 4.950 . 4.950 4.456 3.786 4.915 . 0 0 "[ . 1 . 2]" 1
1708 1 83 GLN HE22 1 84 ARG H 4.950 . 4.950 4.063 3.569 4.442 . 0 0 "[ . 1 . 2]" 1
1709 1 103 GLU H 1 104 VAL HA 5.120 . 5.120 4.879 4.812 5.071 . 0 0 "[ . 1 . 2]" 1
1710 1 77 ARG QD 1 78 PHE H 4.960 . 4.960 4.757 4.653 4.839 . 0 0 "[ . 1 . 2]" 1
1711 1 38 LEU H 1 50 PHE HB3 5.600 . 5.600 5.540 5.449 5.656 0.056 2 0 "[ . 1 . 2]" 1
1712 1 80 PHE H 1 83 GLN HA 4.570 . 4.570 4.325 4.240 4.440 . 0 0 "[ . 1 . 2]" 1
1713 1 80 PHE H 1 94 LEU MD1 5.360 . 5.360 5.030 4.748 5.276 . 0 0 "[ . 1 . 2]" 1
1714 1 77 ARG H 1 77 ARG QG 3.700 . 3.700 2.803 2.700 2.922 . 0 0 "[ . 1 . 2]" 1
1715 1 77 ARG H 1 104 VAL HB 6.000 . 6.000 5.818 5.603 5.965 . 0 0 "[ . 1 . 2]" 1
1716 1 41 ILE H 1 41 ILE MG 3.950 . 3.950 3.863 3.814 3.895 . 0 0 "[ . 1 . 2]" 1
1717 1 40 VAL H 1 47 GLU HA 4.500 . 4.500 4.306 4.143 4.505 0.005 9 0 "[ . 1 . 2]" 1
1718 1 39 LYS QE 1 40 VAL H 4.780 . 4.780 4.755 4.501 4.983 0.203 11 0 "[ . 1 . 2]" 1
1719 1 48 ILE QG 1 50 PHE H 4.860 . 4.860 4.491 4.231 4.690 . 0 0 "[ . 1 . 2]" 1
1720 1 36 ILE H 1 91 PRO QB 6.000 . 6.000 6.057 5.721 6.187 0.187 11 0 "[ . 1 . 2]" 1
1721 1 102 ILE H 1 103 GLU HG3 6.000 . 6.000 5.258 5.043 6.086 0.086 12 0 "[ . 1 . 2]" 1
1722 1 79 LEU HA 1 81 GLU H 6.000 . 6.000 5.446 5.324 5.589 . 0 0 "[ . 1 . 2]" 1
1723 1 81 GLU H 1 82 GLY HA3 5.550 . 5.550 5.490 5.436 5.521 . 0 0 "[ . 1 . 2]" 1
1724 1 74 ASN HD22 1 75 SER H 6.000 . 6.000 5.666 5.558 5.711 . 0 0 "[ . 1 . 2]" 1
1725 1 75 SER H 1 106 GLN HE22 6.000 . 6.000 5.698 5.064 6.112 0.112 11 0 "[ . 1 . 2]" 1
1726 1 68 ARG QD 1 69 GLN HE22 4.910 . 4.910 4.413 2.750 5.036 0.126 1 0 "[ . 1 . 2]" 1
1727 1 48 ILE HA 1 69 GLN HE22 5.290 . 5.290 4.464 4.047 4.758 . 0 0 "[ . 1 . 2]" 1
1728 1 106 GLN HE22 1 107 GLU HA 5.470 . 5.470 4.277 3.000 4.985 . 0 0 "[ . 1 . 2]" 1
1729 1 46 SER H 1 47 GLU HB3 5.540 . 5.540 5.290 5.122 5.434 . 0 0 "[ . 1 . 2]" 1
1730 1 49 HIS H 1 50 PHE QD 4.370 . 4.370 4.312 4.084 4.416 0.046 16 0 "[ . 1 . 2]" 1
1731 1 72 PRO QB 1 76 LEU H 5.100 . 5.100 4.599 4.298 4.893 . 0 0 "[ . 1 . 2]" 1
1732 1 72 PRO QG 1 76 LEU H 5.480 . 5.480 4.890 4.642 5.196 . 0 0 "[ . 1 . 2]" 1
1733 1 61 LEU H 1 64 SER H 5.710 . 5.710 4.713 4.589 4.852 . 0 0 "[ . 1 . 2]" 1
1734 1 89 HIS H 1 89 HIS HA 2.810 . 2.810 2.792 2.774 2.824 0.014 11 0 "[ . 1 . 2]" 1
1735 1 89 HIS HD2 1 93 GLU HA 5.060 . 5.060 4.894 4.694 4.990 . 0 0 "[ . 1 . 2]" 1
1736 1 87 ASP HA 1 89 HIS H 4.550 . 4.550 4.402 4.221 4.532 . 0 0 "[ . 1 . 2]" 1
1737 1 89 HIS HD2 1 90 THR MG 4.680 . 4.680 4.439 4.302 4.705 0.025 14 0 "[ . 1 . 2]" 1
1738 1 89 HIS HD2 1 94 LEU MD2 3.640 . 3.640 3.119 2.817 3.220 . 0 0 "[ . 1 . 2]" 1
1739 1 55 THR MG 1 56 THR H 4.310 . 4.310 4.100 3.955 4.282 . 0 0 "[ . 1 . 2]" 1
1740 1 77 ARG HE 1 79 LEU MD1 4.870 . 4.870 3.224 2.646 3.954 . 0 0 "[ . 1 . 2]" 1
1741 1 50 PHE HE1 1 61 LEU MD2 3.700 . 3.700 2.705 2.524 2.925 . 0 0 "[ . 1 . 2]" 1
1742 1 89 HIS HE1 1 90 THR H 6.000 . 6.000 6.033 5.935 6.112 0.112 19 0 "[ . 1 . 2]" 1
1743 1 88 ASN H 1 90 THR H 6.000 . 6.000 6.122 6.048 6.189 0.189 8 0 "[ . 1 . 2]" 1
1744 1 78 PHE HE1 1 104 VAL MG2 4.370 . 4.370 3.738 3.391 4.138 . 0 0 "[ . 1 . 2]" 1
1745 1 78 PHE HE2 1 104 VAL MG2 4.690 . 4.690 2.960 2.796 3.085 . 0 0 "[ . 1 . 2]" 1
1746 1 94 LEU H 1 95 GLY H 3.450 . 3.450 2.497 2.410 2.573 . 0 0 "[ . 1 . 2]" 1
1747 1 93 GLU HA 1 94 LEU H 3.560 . 3.560 3.468 3.437 3.500 . 0 0 "[ . 1 . 2]" 1
1748 1 83 GLN HE21 1 84 ARG H 4.690 . 4.690 3.142 2.479 4.027 . 0 0 "[ . 1 . 2]" 1
1749 1 62 LYS H 1 64 SER H 4.790 . 4.790 4.197 4.076 4.391 . 0 0 "[ . 1 . 2]" 1
1750 1 68 ARG H 1 69 GLN HE21 5.090 . 5.090 3.849 3.678 3.917 . 0 0 "[ . 1 . 2]" 1
1751 1 69 GLN H 1 69 GLN HE21 4.460 . 4.460 2.186 2.087 2.264 . 0 0 "[ . 1 . 2]" 1
1752 1 75 SER HA 1 106 GLN HE21 5.090 . 5.090 4.326 3.523 5.100 0.010 12 0 "[ . 1 . 2]" 1
1753 1 106 GLN HA 1 106 GLN HE21 5.300 . 5.300 4.018 2.688 4.394 . 0 0 "[ . 1 . 2]" 1
1754 1 75 SER HB3 1 106 GLN HE21 4.690 . 4.690 2.754 1.809 3.757 . 0 0 "[ . 1 . 2]" 1
1755 1 69 GLN HE21 1 73 MET QG 5.740 . 5.740 5.779 5.521 5.933 0.193 6 0 "[ . 1 . 2]" 1
1756 1 80 PHE HB3 1 83 GLN HE21 6.000 . 6.000 5.253 4.758 5.992 . 0 0 "[ . 1 . 2]" 1
1757 1 74 ASN HA 1 74 ASN HD21 4.020 . 4.020 2.675 1.905 3.672 . 0 0 "[ . 1 . 2]" 1
1758 1 80 PHE QD 1 96 MET H 5.440 . 5.440 5.262 5.039 5.459 0.019 18 0 "[ . 1 . 2]" 1
1759 1 43 GLN HA 1 43 GLN HE21 4.550 . 4.550 4.121 3.918 4.384 . 0 0 "[ . 1 . 2]" 1
1760 1 43 GLN HE21 1 76 LEU QD 4.140 . 4.140 3.760 3.308 4.227 0.087 16 0 "[ . 1 . 2]" 1
1761 1 88 ASN H 1 89 HIS H 3.520 . 3.520 1.704 1.643 1.859 0.157 2 0 "[ . 1 . 2]" 1
1762 1 88 ASN H 1 88 ASN HD22 5.030 . 5.030 4.385 3.782 5.353 0.323 18 0 "[ . 1 . 2]" 1
1763 1 88 ASN H 1 89 HIS HA 4.860 . 4.860 4.383 4.315 4.479 . 0 0 "[ . 1 . 2]" 1
1764 1 104 VAL H 1 105 TYR QE 4.990 . 4.990 5.041 4.906 5.187 0.197 2 0 "[ . 1 . 2]" 1
1765 1 40 VAL MG2 1 104 VAL H 5.390 . 5.390 5.066 4.609 5.395 0.005 12 0 "[ . 1 . 2]" 1
1766 1 104 VAL H 1 104 VAL MG1 3.890 . 3.890 3.812 3.755 3.856 . 0 0 "[ . 1 . 2]" 1
1767 1 65 TYR HA 1 69 GLN H 3.880 . 3.880 3.622 3.524 3.724 . 0 0 "[ . 1 . 2]" 1
1768 1 67 GLN H 1 70 GLY H 4.620 . 4.620 4.423 4.376 4.509 . 0 0 "[ . 1 . 2]" 1
1769 1 69 GLN H 1 70 GLY H 3.490 . 3.490 2.350 2.231 2.410 . 0 0 "[ . 1 . 2]" 1
1770 1 70 GLY H 1 71 VAL H 3.340 . 3.340 2.735 2.664 2.827 . 0 0 "[ . 1 . 2]" 1
1771 1 65 TYR QD 1 70 GLY H 5.160 . 5.160 4.723 4.576 4.893 . 0 0 "[ . 1 . 2]" 1
1772 1 75 SER H 1 76 LEU HA 5.510 . 5.510 5.374 5.185 5.427 . 0 0 "[ . 1 . 2]" 1
1773 1 74 ASN HB3 1 75 SER H 4.450 . 4.450 3.673 3.496 3.959 . 0 0 "[ . 1 . 2]" 1
1774 1 75 SER H 1 76 LEU QD 4.370 . 4.370 3.138 2.806 3.260 . 0 0 "[ . 1 . 2]" 1
1775 1 44 ASP HA 1 45 SER H 3.410 . 3.410 3.291 3.249 3.346 . 0 0 "[ . 1 . 2]" 1
1776 1 41 ILE MG 1 45 SER H 3.950 . 3.950 3.834 3.682 3.953 0.003 7 0 "[ . 1 . 2]" 1
1777 1 42 GLY H 1 45 SER H 5.070 . 5.070 4.004 3.747 4.226 . 0 0 "[ . 1 . 2]" 1
1778 1 110 GLY H 1 111 GLY H 5.360 . 5.360 3.417 2.014 4.513 . 0 0 "[ . 1 . 2]" 1
1779 1 45 SER H 1 46 SER HA 5.440 . 5.440 5.161 5.093 5.267 . 0 0 "[ . 1 . 2]" 1
1780 1 90 THR HA 1 92 LYS H 4.530 . 4.530 4.082 4.011 4.183 . 0 0 "[ . 1 . 2]" 1
1781 1 41 ILE HA 1 46 SER H 4.940 . 4.940 4.963 4.762 5.049 0.109 16 0 "[ . 1 . 2]" 1
1782 1 41 ILE MG 1 46 SER H 4.130 . 4.130 3.818 3.513 3.935 . 0 0 "[ . 1 . 2]" 1
1783 1 16 SER H 1 16 SER QB 3.450 . 3.450 2.653 2.248 3.394 . 0 0 "[ . 1 . 2]" 1
1784 1 15 MET QG 1 16 SER H 4.980 . 4.980 4.000 3.160 4.779 . 0 0 "[ . 1 . 2]" 1
1785 1 96 MET ME 1 100 ASP H 5.200 . 5.200 5.409 5.289 5.490 0.290 20 0 "[ . 1 . 2]" 1
1786 1 36 ILE MD 1 100 ASP H 4.290 . 4.290 4.352 4.167 4.437 0.147 4 0 "[ . 1 . 2]" 1
1787 1 34 GLU H 1 35 TYR QD 4.660 . 4.660 4.771 4.554 4.941 0.281 4 0 "[ . 1 . 2]" 1
1788 1 27 LEU MD2 1 29 ASP H 4.780 . 4.780 4.278 3.482 4.828 0.048 8 0 "[ . 1 . 2]" 1
1789 1 23 SER H 1 24 THR H 4.470 . 4.470 3.737 1.947 4.507 0.037 13 0 "[ . 1 . 2]" 1
1790 1 17 ASP HA 1 18 GLN H 3.050 . 3.050 2.498 2.108 3.347 0.297 5 0 "[ . 1 . 2]" 1
1791 1 18 GLN H 1 18 GLN QG 3.320 . 3.320 2.452 1.936 3.342 0.022 16 0 "[ . 1 . 2]" 1
1792 1 20 ALA H 1 20 ALA MB 2.800 . 2.800 2.353 2.224 2.932 0.132 10 0 "[ . 1 . 2]" 1
1793 1 21 LYS H 1 21 LYS HB2 3.840 . 3.840 3.565 2.222 3.821 . 0 0 "[ . 1 . 2]" 1
1794 1 43 GLN H 1 44 ASP H 3.570 . 3.570 2.651 2.565 2.732 . 0 0 "[ . 1 . 2]" 1
1795 1 65 TYR QD 1 67 GLN H 5.080 . 5.080 5.106 5.003 5.204 0.124 9 0 "[ . 1 . 2]" 1
1796 1 67 GLN H 1 69 GLN HE22 6.000 . 6.000 5.640 5.455 5.742 . 0 0 "[ . 1 . 2]" 1
1797 1 18 GLN HA 1 19 GLU H 2.680 . 2.680 2.515 2.080 2.963 0.283 2 0 "[ . 1 . 2]" 1
1798 1 20 ALA HA 1 21 LYS H 2.800 . 2.800 2.299 2.129 2.632 . 0 0 "[ . 1 . 2]" 1
1799 1 41 ILE MG 1 44 ASP H 4.840 . 4.840 4.787 4.700 4.861 0.021 10 0 "[ . 1 . 2]" 1
1800 1 44 ASP H 1 76 LEU QD 5.170 . 5.170 5.034 4.904 5.145 . 0 0 "[ . 1 . 2]" 1
1801 1 31 LYS H 1 32 GLU H 4.830 . 4.830 3.949 1.695 4.644 0.105 5 0 "[ . 1 . 2]" 1
1802 1 24 THR HA 1 25 GLU H 3.190 . 3.190 2.484 2.123 3.520 0.330 1 0 "[ . 1 . 2]" 1
1803 1 107 GLU H 1 108 GLN H 4.300 . 4.300 3.758 2.109 4.183 . 0 0 "[ . 1 . 2]" 1
1804 1 74 ASN H 1 76 LEU H 4.040 . 4.040 3.957 3.879 4.017 . 0 0 "[ . 1 . 2]" 1
1805 1 35 TYR H 1 35 TYR QE 4.980 . 4.980 4.630 4.043 4.946 . 0 0 "[ . 1 . 2]" 1
1806 1 108 GLN HA 1 109 THR H 2.880 . 2.880 2.250 2.107 2.538 . 0 0 "[ . 1 . 2]" 1
1807 1 26 ASP H 1 26 ASP QB 3.060 . 3.060 2.484 2.225 2.901 . 0 0 "[ . 1 . 2]" 1
1808 1 109 THR H 1 109 THR MG 3.760 . 3.760 2.398 2.041 3.007 . 0 0 "[ . 1 . 2]" 1
1809 1 74 ASN H 1 75 SER H 3.710 . 3.710 2.313 2.176 2.416 . 0 0 "[ . 1 . 2]" 1
1810 1 42 GLY H 1 43 GLN H 4.520 . 4.520 4.446 4.405 4.484 . 0 0 "[ . 1 . 2]" 1
1811 1 42 GLY H 1 104 VAL H 4.950 . 4.950 4.736 4.608 4.971 0.021 4 0 "[ . 1 . 2]" 1
1812 1 41 ILE QG 1 42 GLY H 4.110 . 4.110 4.112 4.051 4.195 0.085 9 0 "[ . 1 . 2]" 1
1813 1 42 GLY H 1 104 VAL MG1 5.170 . 5.170 5.081 4.948 5.195 0.025 5 0 "[ . 1 . 2]" 1
1814 1 61 LEU MD1 1 63 GLU H 5.500 . 5.500 4.931 4.771 5.127 . 0 0 "[ . 1 . 2]" 1
1815 1 57 HIS H 1 59 LYS H 5.050 . 5.050 4.992 4.910 5.074 0.024 18 0 "[ . 1 . 2]" 1
1816 1 59 LYS H 1 61 LEU H 5.070 . 5.070 4.320 4.185 4.637 . 0 0 "[ . 1 . 2]" 1
1817 1 105 TYR H 1 105 TYR QE 4.690 . 4.690 4.595 4.453 4.728 0.038 15 0 "[ . 1 . 2]" 1
1818 1 54 MET H 1 55 THR MG 4.620 . 4.620 4.601 4.474 4.701 0.081 2 0 "[ . 1 . 2]" 1
1819 1 38 LEU H 1 39 LYS H 4.420 . 4.420 4.352 4.310 4.396 . 0 0 "[ . 1 . 2]" 1
1820 1 37 LYS H 1 98 GLU HA 3.670 . 3.670 3.435 2.843 3.682 0.012 9 0 "[ . 1 . 2]" 1
1821 1 23 SER H 1 23 SER QB 3.570 . 3.570 2.903 2.463 3.388 . 0 0 "[ . 1 . 2]" 1
1822 1 48 ILE H 1 49 HIS HD2 4.380 . 4.380 3.713 3.471 4.188 . 0 0 "[ . 1 . 2]" 1
1823 1 49 HIS H 1 49 HIS HD2 4.670 . 4.670 3.239 2.887 3.743 . 0 0 "[ . 1 . 2]" 1
1824 1 48 ILE HA 1 49 HIS H 3.020 . 3.020 2.203 2.172 2.233 . 0 0 "[ . 1 . 2]" 1
1825 1 64 SER HA 1 66 CYS H 4.870 . 4.870 4.756 4.563 4.838 . 0 0 "[ . 1 . 2]" 1
1826 1 105 TYR H 1 106 GLN H 4.510 . 4.510 4.477 4.403 4.531 0.021 5 0 "[ . 1 . 2]" 1
1827 1 106 GLN H 1 107 GLU H 4.580 . 4.580 4.416 4.363 4.461 . 0 0 "[ . 1 . 2]" 1
1828 1 105 TYR QD 1 106 GLN H 4.150 . 4.150 4.046 3.884 4.186 0.036 13 0 "[ . 1 . 2]" 1
1829 1 104 VAL MG1 1 106 GLN H 4.800 . 4.800 4.535 4.315 4.665 . 0 0 "[ . 1 . 2]" 1
1830 1 43 GLN H 1 45 SER H 4.530 . 4.530 4.299 4.178 4.421 . 0 0 "[ . 1 . 2]" 1
1831 1 43 GLN H 1 43 GLN HE21 4.860 . 4.860 2.471 1.776 3.186 0.024 19 0 "[ . 1 . 2]" 1
1832 1 43 GLN H 1 104 VAL MG2 5.030 . 5.030 4.830 4.700 5.025 . 0 0 "[ . 1 . 2]" 1
1833 1 56 THR HA 1 57 HIS H 3.140 . 3.140 2.512 2.343 2.577 . 0 0 "[ . 1 . 2]" 1
1834 1 56 THR MG 1 57 HIS H 3.400 . 3.400 3.010 2.874 3.366 . 0 0 "[ . 1 . 2]" 1
1835 1 57 HIS H 1 90 THR MG 4.610 . 4.610 4.155 3.618 4.537 . 0 0 "[ . 1 . 2]" 1
1836 1 61 LEU H 1 65 TYR H 6.000 . 6.000 5.933 5.820 6.042 0.042 15 0 "[ . 1 . 2]" 1
1837 1 83 GLN HA 1 84 ARG H 2.850 . 2.850 2.217 2.163 2.280 . 0 0 "[ . 1 . 2]" 1
1838 1 79 LEU MD2 1 84 ARG H 4.250 . 4.250 4.012 3.751 4.233 . 0 0 "[ . 1 . 2]" 1
1839 1 77 ARG HA 1 78 PHE H 3.220 . 3.220 2.449 2.340 2.569 . 0 0 "[ . 1 . 2]" 1
1840 1 38 LEU H 1 49 HIS HA 4.650 . 4.650 4.381 4.234 4.565 . 0 0 "[ . 1 . 2]" 1
1841 1 80 PHE H 1 81 GLU HA 5.750 . 5.750 5.647 5.548 5.751 0.001 15 0 "[ . 1 . 2]" 1
1842 1 79 LEU HA 1 85 ILE H 3.990 . 3.990 3.073 2.770 3.170 . 0 0 "[ . 1 . 2]" 1
1843 1 72 PRO HA 1 73 MET H 3.030 . 3.030 2.174 2.135 2.213 . 0 0 "[ . 1 . 2]" 1
1844 1 73 MET H 1 73 MET QB 3.240 . 3.240 2.150 2.054 2.261 . 0 0 "[ . 1 . 2]" 1
1845 1 79 LEU MD2 1 85 ILE H 3.670 . 3.670 2.549 2.385 2.637 . 0 0 "[ . 1 . 2]" 1
1846 1 49 HIS HA 1 50 PHE H 3.140 . 3.140 2.225 2.185 2.272 . 0 0 "[ . 1 . 2]" 1
1847 1 41 ILE H 1 103 GLU HA 4.610 . 4.610 3.175 2.934 3.375 . 0 0 "[ . 1 . 2]" 1
1848 1 40 VAL MG2 1 41 ILE H 3.490 . 3.490 3.460 3.316 3.529 0.039 19 0 "[ . 1 . 2]" 1
1849 1 39 LYS HA 1 40 VAL H 3.180 . 3.180 2.242 2.191 2.284 . 0 0 "[ . 1 . 2]" 1
1850 1 40 VAL H 1 48 ILE HA 5.130 . 5.130 4.839 4.767 4.895 . 0 0 "[ . 1 . 2]" 1
1851 1 40 VAL H 1 48 ILE HB 5.560 . 5.560 5.289 5.053 5.393 . 0 0 "[ . 1 . 2]" 1
1852 1 35 TYR QD 1 36 ILE H 4.690 . 4.690 4.320 4.048 4.627 . 0 0 "[ . 1 . 2]" 1
1853 1 97 GLU H 1 100 ASP HA 4.960 . 4.960 4.743 4.561 5.016 0.056 6 0 "[ . 1 . 2]" 1
1854 1 98 GLU H 1 99 GLU H 4.710 . 4.710 4.608 4.558 4.679 . 0 0 "[ . 1 . 2]" 1
1855 1 79 LEU H 1 104 VAL HA 4.310 . 4.310 3.027 2.941 3.118 . 0 0 "[ . 1 . 2]" 1
1856 1 79 LEU H 1 84 ARG HA 6.000 . 6.000 5.619 5.239 5.923 . 0 0 "[ . 1 . 2]" 1
1857 1 79 LEU H 1 102 ILE HB 5.710 . 5.710 5.546 5.317 5.669 . 0 0 "[ . 1 . 2]" 1
1858 1 79 LEU MD1 1 105 TYR QE 2.890 . 2.890 2.873 2.735 2.943 0.053 10 0 "[ . 1 . 2]" 1
1859 1 65 TYR HE2 1 104 VAL MG2 3.810 . 3.810 3.162 2.710 3.455 . 0 0 "[ . 1 . 2]" 1
1860 1 69 GLN HE22 1 69 GLN QG 3.510 . 3.510 3.467 3.460 3.476 . 0 0 "[ . 1 . 2]" 1
1861 1 78 PHE HA 1 105 TYR QD 4.790 . 4.790 4.482 4.208 4.663 . 0 0 "[ . 1 . 2]" 1
1862 1 79 LEU MD1 1 105 TYR QD 2.910 . 2.910 2.310 2.080 2.533 . 0 0 "[ . 1 . 2]" 1
1863 1 42 GLY H 1 43 GLN HE22 6.000 . 6.000 5.888 5.676 6.028 0.028 9 0 "[ . 1 . 2]" 1
1864 1 43 GLN HE22 1 76 LEU H 5.920 . 5.920 5.809 5.504 6.042 0.122 18 0 "[ . 1 . 2]" 1
1865 1 43 GLN HA 1 43 GLN HE22 5.420 . 5.420 5.160 5.076 5.280 . 0 0 "[ . 1 . 2]" 1
1866 1 85 ILE HA 1 86 ALA H 3.210 . 3.210 2.238 2.194 2.272 . 0 0 "[ . 1 . 2]" 1
1867 1 65 TYR HA 1 65 TYR QD 3.080 . 3.080 3.023 2.921 3.106 0.026 15 0 "[ . 1 . 2]" 1
1868 1 65 TYR QD 1 73 MET QG 5.210 . 5.210 3.803 3.549 4.013 . 0 0 "[ . 1 . 2]" 1
1869 1 62 LYS QD 1 65 TYR QD 5.430 . 5.430 5.510 5.260 5.629 0.199 7 0 "[ . 1 . 2]" 1
1870 1 80 PHE QD 1 83 GLN H 4.770 . 4.770 4.607 4.485 4.684 . 0 0 "[ . 1 . 2]" 1
1871 1 80 PHE QD 1 102 ILE HA 4.420 . 4.420 2.976 2.750 3.131 . 0 0 "[ . 1 . 2]" 1
1872 1 104 VAL H 1 104 VAL MG2 3.420 . 3.420 2.563 2.358 2.680 . 0 0 "[ . 1 . 2]" 1
1873 1 65 TYR QD 1 104 VAL MG2 4.370 . 4.370 3.903 3.580 4.126 . 0 0 "[ . 1 . 2]" 1
1874 1 43 GLN HE21 1 104 VAL MG1 4.840 . 4.840 3.769 2.739 4.637 . 0 0 "[ . 1 . 2]" 1
1875 1 73 MET QG 1 104 VAL MG1 5.620 . 5.620 4.930 4.377 5.664 0.044 18 0 "[ . 1 . 2]" 1
1876 1 89 HIS HE1 1 94 LEU MD2 3.690 . 3.690 3.445 3.250 3.725 0.035 14 0 "[ . 1 . 2]" 1
1877 1 83 GLN HE22 1 94 LEU MD2 4.180 . 4.180 3.831 3.499 4.186 0.006 2 0 "[ . 1 . 2]" 1
1878 1 94 LEU HA 1 94 LEU MD2 2.650 . 2.650 2.171 2.117 2.217 . 0 0 "[ . 1 . 2]" 1
1879 1 58 LEU HA 1 61 LEU HG 4.220 . 4.220 3.667 3.508 3.804 . 0 0 "[ . 1 . 2]" 1
1880 1 59 LYS HA 1 61 LEU HG 5.100 . 5.100 4.276 4.181 4.415 . 0 0 "[ . 1 . 2]" 1
1881 1 36 ILE HA 1 36 ILE MD 4.020 . 4.020 3.999 3.682 4.133 0.113 8 0 "[ . 1 . 2]" 1
1882 1 93 GLU H 1 94 LEU MD1 4.550 . 4.550 4.613 4.539 4.669 0.119 20 0 "[ . 1 . 2]" 1
1883 1 79 LEU MD2 1 105 TYR QD 4.100 . 4.100 4.057 3.953 4.135 0.035 5 0 "[ . 1 . 2]" 1
1884 1 79 LEU MD2 1 84 ARG HA 3.000 . 3.000 2.007 1.808 2.165 . 0 0 "[ . 1 . 2]" 1
1885 1 48 ILE MG 1 49 HIS HA 4.140 . 4.140 3.869 3.732 3.980 . 0 0 "[ . 1 . 2]" 1
1886 1 48 ILE HA 1 48 ILE MG 3.370 . 3.370 3.205 3.199 3.213 . 0 0 "[ . 1 . 2]" 1
1887 1 74 ASN H 1 76 LEU QD 3.560 . 3.560 3.626 3.574 3.689 0.129 2 0 "[ . 1 . 2]" 1
1888 1 85 ILE MD 1 86 ALA H 5.060 . 5.060 4.843 4.756 4.925 . 0 0 "[ . 1 . 2]" 1
1889 1 70 GLY H 1 71 VAL MG2 4.020 . 4.020 3.760 3.671 3.879 . 0 0 "[ . 1 . 2]" 1
1890 1 69 GLN H 1 71 VAL MG2 4.840 . 4.840 3.941 3.872 4.031 . 0 0 "[ . 1 . 2]" 1
1891 1 39 LYS HG3 1 49 HIS HA 4.890 . 4.890 4.410 4.201 4.616 . 0 0 "[ . 1 . 2]" 1
1892 1 71 VAL HA 1 71 VAL MG2 3.300 . 3.300 3.207 3.199 3.216 . 0 0 "[ . 1 . 2]" 1
1893 1 48 ILE HA 1 48 ILE MD 3.360 . 3.360 3.137 2.157 3.647 0.287 13 0 "[ . 1 . 2]" 1
1894 1 48 ILE MD 1 64 SER HA 4.740 . 4.740 4.232 3.900 4.719 . 0 0 "[ . 1 . 2]" 1
1895 1 69 GLN HA 1 71 VAL MG2 5.000 . 5.000 4.269 4.144 4.670 . 0 0 "[ . 1 . 2]" 1
1896 1 40 VAL MG1 1 65 TYR QD 4.290 . 4.290 4.201 4.001 4.263 . 0 0 "[ . 1 . 2]" 1
1897 1 52 VAL MG1 1 61 LEU MD2 3.350 . 3.350 3.201 2.911 3.378 0.028 14 0 "[ . 1 . 2]" 1
1898 1 40 VAL MG1 1 104 VAL MG2 4.130 . 4.130 3.905 3.745 4.060 . 0 0 "[ . 1 . 2]" 1
1899 1 102 ILE MG 1 104 VAL MG2 3.230 . 3.230 3.201 3.016 3.291 0.061 11 0 "[ . 1 . 2]" 1
1900 1 41 ILE MG 1 104 VAL H 5.000 . 5.000 4.656 4.565 4.817 . 0 0 "[ . 1 . 2]" 1
1901 1 39 LYS HG2 1 49 HIS HA 4.870 . 4.870 3.956 3.682 4.369 . 0 0 "[ . 1 . 2]" 1
1902 1 39 LYS HG2 1 48 ILE HA 5.530 . 5.530 4.970 4.646 5.365 . 0 0 "[ . 1 . 2]" 1
1903 1 41 ILE MG 1 46 SER HA 5.750 . 5.750 4.421 4.179 4.587 . 0 0 "[ . 1 . 2]" 1
1904 1 41 ILE MD 1 41 ILE MG 2.560 . 2.560 2.095 2.062 2.144 . 0 0 "[ . 1 . 2]" 1
1905 1 57 HIS HD2 1 90 THR MG 3.060 . 3.060 2.911 2.223 3.140 0.080 2 0 "[ . 1 . 2]" 1
1906 1 90 THR MG 1 94 LEU MD2 6.000 . 6.000 6.063 6.030 6.108 0.108 16 0 "[ . 1 . 2]" 1
1907 1 41 ILE QG 1 104 VAL H 6.000 . 6.000 5.768 5.470 5.908 . 0 0 "[ . 1 . 2]" 1
1908 1 101 VAL QG 1 104 VAL H 6.000 . 6.000 5.475 5.219 5.683 . 0 0 "[ . 1 . 2]" 1
1909 1 55 THR MG 1 92 LYS H 4.290 . 4.290 3.992 3.712 4.186 . 0 0 "[ . 1 . 2]" 1
1910 1 55 THR HA 1 55 THR MG 2.790 . 2.790 2.354 2.275 2.432 . 0 0 "[ . 1 . 2]" 1
1911 1 48 ILE QG 1 65 TYR H 5.440 . 5.440 4.984 3.964 5.517 0.077 16 0 "[ . 1 . 2]" 1
1912 1 48 ILE QG 1 50 PHE HA 4.930 . 4.930 4.410 4.191 4.683 . 0 0 "[ . 1 . 2]" 1
1913 1 24 THR HA 1 24 THR MG 3.070 . 3.070 2.620 2.226 3.209 0.139 7 0 "[ . 1 . 2]" 1
1914 1 48 ILE HA 1 48 ILE QG 3.240 . 3.240 2.410 2.206 2.744 . 0 0 "[ . 1 . 2]" 1
1915 1 59 LYS HG2 1 87 ASP HA 4.020 . 4.020 3.756 3.540 4.109 0.089 17 0 "[ . 1 . 2]" 1
1916 1 59 LYS HA 1 59 LYS HG2 3.700 . 3.700 2.351 2.297 2.402 . 0 0 "[ . 1 . 2]" 1
1917 1 79 LEU HB3 1 84 ARG HA 4.600 . 4.600 4.013 3.388 4.308 . 0 0 "[ . 1 . 2]" 1
1918 1 59 LYS HG3 1 87 ASP HA 4.370 . 4.370 4.118 3.809 4.424 0.054 20 0 "[ . 1 . 2]" 1
1919 1 81 GLU H 1 81 GLU HB3 3.420 . 3.420 2.946 2.895 2.982 . 0 0 "[ . 1 . 2]" 1
1920 1 35 TYR HA 1 36 ILE HG12 4.980 . 4.980 4.212 3.765 5.036 0.056 4 0 "[ . 1 . 2]" 1
1921 1 55 THR HB 1 92 LYS QG 3.870 . 3.870 3.444 2.702 3.907 0.037 2 0 "[ . 1 . 2]" 1
1922 1 91 PRO QD 1 92 LYS QG 5.050 . 5.050 3.524 3.350 3.629 . 0 0 "[ . 1 . 2]" 1
1923 1 81 GLU HG3 1 82 GLY HA3 4.390 . 4.390 4.234 4.086 4.389 . 0 0 "[ . 1 . 2]" 1
1924 1 79 LEU HG 1 105 TYR QE 3.990 . 3.990 3.908 3.716 4.030 0.040 3 0 "[ . 1 . 2]" 1
1925 1 77 ARG QG 1 104 VAL MG2 5.990 . 5.990 5.417 5.336 5.568 . 0 0 "[ . 1 . 2]" 1
1926 1 79 LEU HG 1 104 VAL MG2 6.000 . 6.000 5.644 5.560 5.782 . 0 0 "[ . 1 . 2]" 1
1927 1 77 ARG QG 1 107 GLU H 5.340 . 5.340 5.333 5.128 5.470 0.130 12 0 "[ . 1 . 2]" 1
1928 1 77 ARG QG 1 104 VAL HA 4.550 . 4.550 4.298 4.202 4.533 . 0 0 "[ . 1 . 2]" 1
1929 1 39 LYS HB2 1 49 HIS HA 4.280 . 4.280 3.401 3.291 3.578 . 0 0 "[ . 1 . 2]" 1
1930 1 65 TYR QD 1 69 GLN QB 4.090 . 4.090 2.439 2.291 2.587 . 0 0 "[ . 1 . 2]" 1
1931 1 36 ILE HB 1 100 ASP H 5.640 . 5.640 5.509 5.297 5.657 0.017 9 0 "[ . 1 . 2]" 1
1932 1 21 LYS H 1 21 LYS HB3 3.840 . 3.840 3.000 2.555 3.656 . 0 0 "[ . 1 . 2]" 1
1933 1 60 LYS HA 1 60 LYS QD 4.030 . 4.030 3.724 3.496 3.864 . 0 0 "[ . 1 . 2]" 1
1934 1 41 ILE HB 1 42 GLY H 3.900 . 3.900 3.923 3.827 4.006 0.106 16 0 "[ . 1 . 2]" 1
1935 1 21 LYS HB2 1 22 PRO HD2 4.500 . 4.500 2.383 1.954 4.538 0.038 1 0 "[ . 1 . 2]" 1
1936 1 21 LYS HB2 1 22 PRO HD3 4.500 . 4.500 3.754 3.435 4.594 0.094 1 0 "[ . 1 . 2]" 1
1937 1 29 ASP H 1 30 LYS QB 6.000 . 6.000 4.690 3.529 5.667 . 0 0 "[ . 1 . 2]" 1
1938 1 48 ILE HB 1 65 TYR QD 3.690 . 3.690 3.617 3.145 3.839 0.149 9 0 "[ . 1 . 2]" 1
1939 1 48 ILE HB 1 69 GLN HE22 3.960 . 3.960 2.621 2.402 2.763 . 0 0 "[ . 1 . 2]" 1
1940 1 54 MET ME 1 92 LYS HA 2.890 . 2.890 2.526 2.141 2.871 . 0 0 "[ . 1 . 2]" 1
1941 1 103 GLU QB 1 105 TYR QD 3.810 . 3.810 3.478 3.319 3.650 . 0 0 "[ . 1 . 2]" 1
1942 1 103 GLU QB 1 104 VAL MG1 5.590 . 5.590 5.514 5.403 5.588 . 0 0 "[ . 1 . 2]" 1
1943 1 76 LEU QD 1 106 GLN HB2 4.420 . 4.420 3.833 3.240 4.373 . 0 0 "[ . 1 . 2]" 1
1944 1 76 LEU HA 1 106 GLN HB2 4.860 . 4.860 4.746 4.377 5.014 0.154 2 0 "[ . 1 . 2]" 1
1945 1 92 LYS H 1 93 GLU HB3 4.520 . 4.520 4.622 4.545 4.665 0.145 13 0 "[ . 1 . 2]" 1
1946 1 89 HIS HE1 1 93 GLU HB3 5.830 . 5.830 5.671 5.425 5.854 0.024 3 0 "[ . 1 . 2]" 1
1947 1 93 GLU HB3 1 95 GLY H 4.900 . 4.900 4.833 4.703 4.960 0.060 16 0 "[ . 1 . 2]" 1
1948 1 42 GLY QA 1 43 GLN HB2 5.290 . 5.290 5.222 5.166 5.269 . 0 0 "[ . 1 . 2]" 1
1949 1 93 GLU HB3 1 94 LEU MD1 4.590 . 4.590 4.482 4.336 4.582 . 0 0 "[ . 1 . 2]" 1
1950 1 107 GLU HA 1 107 GLU QG 3.500 . 3.500 2.661 2.357 3.009 . 0 0 "[ . 1 . 2]" 1
1951 1 77 ARG QG 1 107 GLU QG 5.580 . 5.580 5.331 4.733 5.666 0.086 11 0 "[ . 1 . 2]" 1
1952 1 65 TYR QD 1 73 MET ME 4.280 . 4.280 2.543 2.162 2.912 . 0 0 "[ . 1 . 2]" 1
1953 1 65 TYR HE1 1 69 GLN QG 4.220 . 4.220 2.617 2.421 2.780 . 0 0 "[ . 1 . 2]" 1
1954 1 103 GLU HG3 1 105 TYR QE 4.260 . 4.260 4.067 3.903 4.232 . 0 0 "[ . 1 . 2]" 1
1955 1 73 MET ME 1 73 MET QG 3.170 . 3.170 2.222 2.197 2.262 . 0 0 "[ . 1 . 2]" 1
1956 1 73 MET ME 1 104 VAL MG1 4.050 . 4.050 3.122 2.882 3.251 . 0 0 "[ . 1 . 2]" 1
1957 1 43 GLN HB3 1 104 VAL MG1 4.880 . 4.880 4.638 4.165 4.890 0.010 4 0 "[ . 1 . 2]" 1
1958 1 89 HIS HD2 1 93 GLU HB2 4.270 . 4.270 3.574 3.343 3.836 . 0 0 "[ . 1 . 2]" 1
1959 1 90 THR H 1 93 GLU QG 4.120 . 4.120 3.754 3.559 4.064 . 0 0 "[ . 1 . 2]" 1
1960 1 32 GLU HA 1 32 GLU QG 3.740 . 3.740 2.875 2.249 3.527 . 0 0 "[ . 1 . 2]" 1
1961 1 93 GLU HA 1 93 GLU QG 3.210 . 3.210 2.771 2.463 2.920 . 0 0 "[ . 1 . 2]" 1
1962 1 89 HIS HB2 1 93 GLU QG 6.000 . 6.000 5.902 5.663 6.094 0.094 16 0 "[ . 1 . 2]" 1
1963 1 103 GLU HG2 1 104 VAL H 5.330 . 5.330 4.666 4.489 4.905 . 0 0 "[ . 1 . 2]" 1
1964 1 103 GLU HG2 1 105 TYR QE 5.140 . 5.140 4.798 4.621 4.958 . 0 0 "[ . 1 . 2]" 1
1965 1 89 HIS HA 1 93 GLU QG 4.560 . 4.560 4.348 4.006 4.679 0.119 16 0 "[ . 1 . 2]" 1
1966 1 80 PHE HA 1 103 GLU HG2 5.080 . 5.080 4.986 4.598 5.235 0.155 20 0 "[ . 1 . 2]" 1
1967 1 80 PHE QD 1 83 GLN QG 4.650 . 4.650 2.658 2.247 2.864 . 0 0 "[ . 1 . 2]" 1
1968 1 83 GLN HA 1 83 GLN QG 3.070 . 3.070 2.732 2.556 2.882 . 0 0 "[ . 1 . 2]" 1
1969 1 108 GLN HA 1 108 GLN QG 3.500 . 3.500 2.958 2.344 3.526 0.026 13 0 "[ . 1 . 2]" 1
1970 1 105 TYR HB3 1 106 GLN H 3.820 . 3.820 3.007 2.876 3.171 . 0 0 "[ . 1 . 2]" 1
1971 1 99 GLU QB 1 100 ASP HA 4.570 . 4.570 4.354 4.106 4.637 0.067 14 0 "[ . 1 . 2]" 1
1972 1 99 GLU QG 1 100 ASP H 4.630 . 4.630 4.492 4.063 4.701 0.071 6 0 "[ . 1 . 2]" 1
1973 1 43 GLN HE21 1 43 GLN QG 3.060 . 3.060 2.458 2.118 2.785 . 0 0 "[ . 1 . 2]" 1
1974 1 43 GLN HE22 1 43 GLN QG 3.480 . 3.480 3.367 3.254 3.480 . 16 0 "[ . 1 . 2]" 1
1975 1 67 GLN HE22 1 67 GLN HG3 4.080 . 4.080 3.735 3.484 4.065 . 0 0 "[ . 1 . 2]" 1
1976 1 72 PRO QB 1 75 SER HB2 4.060 . 4.060 3.033 2.642 3.341 . 0 0 "[ . 1 . 2]" 1
1977 1 78 PHE HB3 1 104 VAL HA 5.180 . 5.180 4.800 4.706 4.947 . 0 0 "[ . 1 . 2]" 1
1978 1 61 LEU HG 1 62 LYS QE 4.980 . 4.980 3.805 3.562 4.071 . 0 0 "[ . 1 . 2]" 1
1979 1 63 GLU HA 1 63 GLU HG2 3.600 . 3.600 2.516 2.449 2.597 . 0 0 "[ . 1 . 2]" 1
1980 1 88 ASN H 1 88 ASN HB3 3.560 . 3.560 3.258 2.832 3.432 . 0 0 "[ . 1 . 2]" 1
1981 1 67 GLN HG2 1 68 ARG H 4.790 . 4.790 4.436 4.262 4.583 . 0 0 "[ . 1 . 2]" 1
1982 1 67 GLN HA 1 67 GLN HG2 3.420 . 3.420 2.806 2.660 2.933 . 0 0 "[ . 1 . 2]" 1
1983 1 15 MET HA 1 15 MET QG 3.160 . 3.160 2.638 2.382 3.328 0.168 13 0 "[ . 1 . 2]" 1
1984 1 88 ASN H 1 88 ASN HB2 4.170 . 4.170 3.974 3.668 4.020 . 0 0 "[ . 1 . 2]" 1
1985 1 29 ASP QB 1 30 LYS QB 4.690 . 4.690 4.105 3.488 4.746 0.056 5 0 "[ . 1 . 2]" 1
1986 1 88 ASN HB2 1 90 THR MG 5.850 . 5.850 5.205 4.854 5.927 0.077 18 0 "[ . 1 . 2]" 1
1987 1 17 ASP H 1 17 ASP QB 3.830 . 3.830 2.577 2.220 3.222 . 0 0 "[ . 1 . 2]" 1
1988 1 73 MET HA 1 73 MET QG 3.140 . 3.140 2.594 2.472 2.807 . 0 0 "[ . 1 . 2]" 1
1989 1 35 TYR H 1 35 TYR HB2 3.800 . 3.800 2.823 2.509 3.850 0.050 20 0 "[ . 1 . 2]" 1
1990 1 39 LYS QE 1 49 HIS HD2 5.300 . 5.300 4.814 4.075 5.395 0.095 16 0 "[ . 1 . 2]" 1
1991 1 74 ASN HA 1 74 ASN HB3 3.000 . 3.000 2.498 2.408 2.533 . 0 0 "[ . 1 . 2]" 1
1992 1 91 PRO QD 1 92 LYS QE 4.790 . 4.790 4.841 4.617 5.002 0.212 2 0 "[ . 1 . 2]" 1
1993 1 59 LYS HA 1 59 LYS QE 4.660 . 4.660 4.291 4.208 4.604 . 0 0 "[ . 1 . 2]" 1
1994 1 74 ASN H 1 74 ASN HB3 3.730 . 3.730 3.651 3.624 3.710 . 0 0 "[ . 1 . 2]" 1
1995 1 63 GLU H 1 65 TYR HB3 5.780 . 5.780 5.371 5.168 5.548 . 0 0 "[ . 1 . 2]" 1
1996 1 50 PHE HB2 1 61 LEU MD2 5.520 . 5.520 5.092 4.974 5.172 . 0 0 "[ . 1 . 2]" 1
1997 1 78 PHE HB2 1 104 VAL MG1 6.000 . 6.000 5.078 4.899 5.172 . 0 0 "[ . 1 . 2]" 1
1998 1 78 PHE HB2 1 104 VAL MG2 4.510 . 4.510 4.296 4.128 4.366 . 0 0 "[ . 1 . 2]" 1
1999 1 80 PHE HB2 1 81 GLU H 4.330 . 4.330 4.364 4.335 4.386 0.056 6 0 "[ . 1 . 2]" 1
2000 1 65 TYR HB3 1 69 GLN H 5.620 . 5.620 5.415 5.329 5.536 . 0 0 "[ . 1 . 2]" 1
2001 1 65 TYR HB3 1 69 GLN HE21 4.930 . 4.930 4.270 4.144 4.396 . 0 0 "[ . 1 . 2]" 1
2002 1 79 LEU HA 1 80 PHE HB2 4.700 . 4.700 4.617 4.535 4.690 . 0 0 "[ . 1 . 2]" 1
2003 1 44 ASP HB2 1 71 VAL HB 5.080 . 5.080 4.816 4.510 5.099 0.019 9 0 "[ . 1 . 2]" 1
2004 1 65 TYR HB3 1 104 VAL MG2 6.000 . 6.000 5.562 5.290 5.753 . 0 0 "[ . 1 . 2]" 1
2005 1 77 ARG QD 1 104 VAL MG2 6.000 . 6.000 6.115 6.029 6.167 0.167 15 0 "[ . 1 . 2]" 1
2006 1 44 ASP HA 1 44 ASP HB2 2.720 . 2.720 2.512 2.470 2.605 . 0 0 "[ . 1 . 2]" 1
2007 1 76 LEU HA 1 105 TYR HB2 5.590 . 5.590 5.488 5.379 5.598 0.008 20 0 "[ . 1 . 2]" 1
2008 1 68 ARG HA 1 68 ARG QD 3.640 . 3.640 2.681 1.987 3.902 0.262 15 0 "[ . 1 . 2]" 1
2009 1 84 ARG HA 1 84 ARG QD 4.230 . 4.230 3.043 2.090 4.183 . 0 0 "[ . 1 . 2]" 1
2010 1 85 ILE HA 1 89 HIS HB2 5.030 . 5.030 2.156 2.034 2.274 . 0 0 "[ . 1 . 2]" 1
2011 1 64 SER HA 1 65 TYR HB2 6.000 . 6.000 5.702 5.627 5.734 . 0 0 "[ . 1 . 2]" 1
2012 1 88 ASN HA 1 89 HIS HB2 6.000 . 6.000 5.488 5.420 5.561 . 0 0 "[ . 1 . 2]" 1
2013 1 65 TYR HB2 1 65 TYR HE2 4.650 . 4.650 4.621 4.601 4.644 . 0 0 "[ . 1 . 2]" 1
2014 1 66 CYS HB2 1 73 MET H 4.980 . 4.980 3.168 2.639 3.396 . 0 0 "[ . 1 . 2]" 1
2015 1 66 CYS HB2 1 67 GLN H 4.300 . 4.300 4.013 3.897 4.141 . 0 0 "[ . 1 . 2]" 1
2016 1 66 CYS HB2 1 73 MET HA 4.790 . 4.790 4.369 4.248 4.473 . 0 0 "[ . 1 . 2]" 1
2017 1 65 TYR HB3 1 66 CYS HB2 4.280 . 4.280 4.008 3.862 4.254 . 0 0 "[ . 1 . 2]" 1
2018 1 81 GLU HA 1 83 GLN H 4.620 . 4.620 4.464 4.417 4.514 . 0 0 "[ . 1 . 2]" 1
2019 1 80 PHE HA 1 81 GLU HA 4.480 . 4.480 4.361 4.346 4.381 . 0 0 "[ . 1 . 2]" 1
2020 1 72 PRO QD 1 75 SER H 5.430 . 5.430 5.453 5.288 5.584 0.154 13 0 "[ . 1 . 2]" 1
2021 1 71 VAL HA 1 72 PRO QD 3.510 . 3.510 2.130 2.024 2.200 . 0 0 "[ . 1 . 2]" 1
2022 1 21 LYS HA 1 22 PRO HD3 3.010 . 3.010 2.361 1.841 2.522 . 0 0 "[ . 1 . 2]" 1
2023 1 61 LEU HA 1 61 LEU HG 3.670 . 3.670 3.699 3.639 3.729 0.059 4 0 "[ . 1 . 2]" 1
2024 1 21 LYS HA 1 22 PRO HD2 3.010 . 3.010 2.344 2.056 2.707 . 0 0 "[ . 1 . 2]" 1
2025 1 21 LYS HB3 1 22 PRO HD2 4.500 . 4.500 3.222 2.799 3.542 . 0 0 "[ . 1 . 2]" 1
2026 1 95 GLY QA 1 96 MET HA 4.430 . 4.430 3.977 3.954 4.000 . 0 0 "[ . 1 . 2]" 1
2027 1 65 TYR H 1 66 CYS HA 5.380 . 5.380 5.198 5.138 5.293 . 0 0 "[ . 1 . 2]" 1
2028 1 65 TYR HB3 1 66 CYS HA 4.090 . 4.090 4.053 4.010 4.090 . 0 0 "[ . 1 . 2]" 1
2029 1 92 LYS QE 1 93 GLU HA 4.670 . 4.670 4.273 3.443 4.702 0.032 16 0 "[ . 1 . 2]" 1
2030 1 58 LEU HA 1 85 ILE MG 5.350 . 5.350 4.739 4.599 4.882 . 0 0 "[ . 1 . 2]" 1
2031 1 56 THR HA 1 56 THR HB 2.990 . 2.990 2.543 2.528 2.557 . 0 0 "[ . 1 . 2]" 1
2032 1 63 GLU HA 1 65 TYR HB3 5.660 . 5.660 5.195 5.099 5.360 . 0 0 "[ . 1 . 2]" 1
2033 1 64 SER QB 1 65 TYR HB3 6.000 . 6.000 5.128 4.970 5.860 . 0 0 "[ . 1 . 2]" 1
2034 1 63 GLU HA 1 73 MET QG 4.450 . 4.450 4.064 3.664 4.399 . 0 0 "[ . 1 . 2]" 1
2035 1 45 SER HA 1 46 SER HA 5.180 . 5.180 4.513 4.441 4.584 . 0 0 "[ . 1 . 2]" 1
2036 1 64 SER QB 1 67 GLN HG3 5.380 . 5.380 5.343 5.021 5.479 0.099 16 0 "[ . 1 . 2]" 1
2037 1 61 LEU HG 1 64 SER QB 5.880 . 5.880 5.557 5.275 6.122 0.242 17 0 "[ . 1 . 2]" 1
2038 1 40 VAL MG2 1 65 TYR HA 6.000 . 6.000 5.173 5.077 5.286 . 0 0 "[ . 1 . 2]" 1
2039 1 54 MET HA 1 55 THR HA 4.630 . 4.630 4.483 4.443 4.535 . 0 0 "[ . 1 . 2]" 1
2040 1 79 LEU MD2 1 82 GLY HA2 5.120 . 5.120 4.579 4.194 5.014 . 0 0 "[ . 1 . 2]" 1
2041 1 19 GLU HA 1 20 ALA H 3.370 . 3.370 2.606 2.065 3.517 0.147 15 0 "[ . 1 . 2]" 1
2042 1 37 LYS QG 1 98 GLU HA 4.940 . 4.940 4.087 3.188 4.994 0.054 17 0 "[ . 1 . 2]" 1
2043 1 34 GLU HA 1 35 TYR QE 5.080 . 5.080 4.416 3.777 5.127 0.047 3 0 "[ . 1 . 2]" 1
2044 1 27 LEU HA 1 29 ASP H 5.780 . 5.780 4.376 3.682 5.573 . 0 0 "[ . 1 . 2]" 1
2045 1 29 ASP H 1 30 LYS HA 6.000 . 6.000 5.023 4.426 5.700 . 0 0 "[ . 1 . 2]" 1
2046 1 108 GLN QG 1 109 THR HA 4.540 . 4.540 4.131 3.448 4.606 0.066 18 0 "[ . 1 . 2]" 1
2047 1 27 LEU HA 1 27 LEU MD2 4.170 . 4.170 3.227 1.991 4.085 . 0 0 "[ . 1 . 2]" 1
2048 1 55 THR HA 1 90 THR MG 4.480 . 4.480 3.898 3.510 4.149 . 0 0 "[ . 1 . 2]" 1
2049 1 48 ILE HA 1 68 ARG QB 6.000 . 6.000 5.372 4.899 5.801 . 0 0 "[ . 1 . 2]" 1
2050 1 54 MET HB2 1 55 THR HA 6.000 . 6.000 5.795 5.738 5.846 . 0 0 "[ . 1 . 2]" 1
2051 1 106 GLN HB2 1 107 GLU HA 6.000 . 6.000 5.753 5.660 5.836 . 0 0 "[ . 1 . 2]" 1
2052 1 36 ILE MD 1 97 GLU HA 5.060 . 5.060 2.938 2.311 4.111 . 0 0 "[ . 1 . 2]" 1
2053 1 21 LYS QD 1 23 SER HA 5.860 . 5.860 5.109 4.000 6.087 0.227 8 0 "[ . 1 . 2]" 1
2054 1 106 GLN HA 1 107 GLU HB3 6.000 . 6.000 4.656 4.513 4.901 . 0 0 "[ . 1 . 2]" 1
2055 1 75 SER HA 1 76 LEU QD 5.610 . 5.610 3.887 3.780 3.966 . 0 0 "[ . 1 . 2]" 1
2056 1 42 GLY QA 1 44 ASP HA 5.740 . 5.740 5.480 5.348 5.564 . 0 0 "[ . 1 . 2]" 1
2057 1 36 ILE HA 1 98 GLU H 5.760 . 5.760 5.651 5.385 5.832 0.072 17 0 "[ . 1 . 2]" 1
2058 1 49 HIS HA 1 49 HIS HD2 4.510 . 4.510 2.763 2.541 2.928 . 0 0 "[ . 1 . 2]" 1
2059 1 48 ILE HA 1 49 HIS HA 5.220 . 5.220 4.402 4.373 4.424 . 0 0 "[ . 1 . 2]" 1
2060 1 61 LEU MD2 1 62 LYS QG 5.060 . 5.060 5.044 4.894 5.111 0.051 16 0 "[ . 1 . 2]" 1
2061 1 18 GLN H 1 18 GLN QB 3.440 . 3.440 2.944 2.274 3.353 . 0 0 "[ . 1 . 2]" 1
2062 1 18 GLN H 1 18 GLN QE 5.810 . 5.810 4.306 2.435 5.162 . 0 0 "[ . 1 . 2]" 1
2063 1 18 GLN QE 1 18 GLN QG 3.030 . 3.030 2.180 2.115 2.694 . 0 0 "[ . 1 . 2]" 1
2064 1 21 LYS H 1 21 LYS QB 3.110 . 3.110 2.798 2.199 3.298 0.188 7 0 "[ . 1 . 2]" 1
2065 1 21 LYS H 1 22 PRO QD 4.580 . 4.580 4.366 4.239 4.427 . 0 0 "[ . 1 . 2]" 1
2066 1 21 LYS QB 1 21 LYS QE 3.740 . 3.740 1.985 1.851 2.094 . 0 0 "[ . 1 . 2]" 1
2067 1 21 LYS QB 1 22 PRO QD 3.110 . 3.110 2.227 1.920 2.877 . 0 0 "[ . 1 . 2]" 1
2068 1 21 LYS QG 1 22 PRO QD 4.420 . 4.420 3.979 3.678 4.299 . 0 0 "[ . 1 . 2]" 1
2069 1 21 LYS QE 1 22 PRO QD 4.950 . 4.950 3.415 2.549 3.947 . 0 0 "[ . 1 . 2]" 1
2070 1 22 PRO QD 1 23 SER H 4.740 . 4.740 4.007 2.594 4.818 0.078 10 0 "[ . 1 . 2]" 1
2071 1 26 ASP HA 1 27 LEU QD 4.950 . 4.950 3.979 2.660 5.049 0.099 13 0 "[ . 1 . 2]" 1
2072 1 26 ASP QB 1 27 LEU QD 5.490 . 5.490 4.090 2.415 5.103 . 0 0 "[ . 1 . 2]" 1
2073 1 27 LEU H 1 27 LEU QB 3.410 . 3.410 2.853 2.358 3.455 0.045 2 0 "[ . 1 . 2]" 1
2074 1 27 LEU H 1 27 LEU QD 3.720 . 3.720 2.662 1.781 3.714 0.019 9 0 "[ . 1 . 2]" 1
2075 1 27 LEU QB 1 27 LEU QD 2.820 . 2.820 1.922 1.866 1.945 . 0 0 "[ . 1 . 2]" 1
2076 1 27 LEU QB 1 28 GLY H 3.310 . 3.310 2.798 1.939 3.703 0.393 4 0 "[ . 1 . 2]" 1
2077 1 27 LEU QB 1 28 GLY QA 4.460 . 4.460 3.989 3.636 4.315 . 0 0 "[ . 1 . 2]" 1
2078 1 27 LEU QB 1 29 ASP H 4.440 . 4.440 3.053 2.290 4.435 . 0 0 "[ . 1 . 2]" 1
2079 1 27 LEU QB 1 29 ASP QB 4.950 . 4.950 3.423 2.639 4.556 . 0 0 "[ . 1 . 2]" 1
2080 1 27 LEU QD 1 28 GLY H 4.100 . 4.100 3.184 1.807 4.103 0.003 8 0 "[ . 1 . 2]" 1
2081 1 27 LEU QD 1 28 GLY QA 4.770 . 4.770 4.048 3.238 4.896 0.126 8 0 "[ . 1 . 2]" 1
2082 1 27 LEU QD 1 29 ASP H 4.150 . 4.150 3.196 1.930 4.167 0.017 8 0 "[ . 1 . 2]" 1
2083 1 27 LEU QD 1 29 ASP QB 3.760 . 3.760 2.804 1.899 3.777 0.017 8 0 "[ . 1 . 2]" 1
2084 1 36 ILE MD 1 100 ASP QB 4.470 . 4.470 4.001 3.825 4.169 . 0 0 "[ . 1 . 2]" 1
2085 1 38 LEU H 1 100 ASP QB 5.810 . 5.810 6.049 5.874 6.148 0.338 9 0 "[ . 1 . 2]" 1
2086 1 38 LEU HB2 1 100 ASP QB 4.260 . 4.260 4.426 4.378 4.479 0.219 2 0 "[ . 1 . 2]" 1
2087 1 38 LEU HB3 1 100 ASP QB 3.440 . 3.440 3.041 2.936 3.102 . 0 0 "[ . 1 . 2]" 1
2088 1 38 LEU HG 1 100 ASP QB 4.160 . 4.160 3.382 3.142 4.155 . 0 0 "[ . 1 . 2]" 1
2089 1 38 LEU QD 1 100 ASP QB 2.850 . 2.850 1.888 1.779 1.968 0.021 20 0 "[ . 1 . 2]" 1
2090 1 39 LYS H 1 100 ASP QB 4.640 . 4.640 4.056 3.770 4.174 . 0 0 "[ . 1 . 2]" 1
2091 1 41 ILE MG 1 46 SER QB 5.050 . 5.050 4.830 4.626 5.086 0.036 12 0 "[ . 1 . 2]" 1
2092 1 44 ASP H 1 46 SER QB 4.540 . 4.540 4.573 4.383 4.870 0.330 12 0 "[ . 1 . 2]" 1
2093 1 44 ASP HB2 1 46 SER QB 4.230 . 4.230 4.241 3.999 4.380 0.150 12 0 "[ . 1 . 2]" 1
2094 1 44 ASP HB3 1 46 SER QB 5.030 . 5.030 2.705 2.511 2.940 . 0 0 "[ . 1 . 2]" 1
2095 1 45 SER H 1 46 SER QB 4.910 . 4.910 4.586 4.333 4.756 . 0 0 "[ . 1 . 2]" 1
2096 1 46 SER H 1 46 SER QB 3.330 . 3.330 2.430 2.342 2.670 . 0 0 "[ . 1 . 2]" 1
2097 1 46 SER QB 1 47 GLU H 3.290 . 3.290 2.764 2.321 3.371 0.081 18 0 "[ . 1 . 2]" 1
2098 1 46 SER QB 1 71 VAL MG2 4.880 . 4.880 4.086 3.843 4.504 . 0 0 "[ . 1 . 2]" 1
2099 1 50 PHE HB3 1 61 LEU QB 4.480 . 4.480 3.800 3.681 3.932 . 0 0 "[ . 1 . 2]" 1
2100 1 50 PHE QD 1 61 LEU QB 3.920 . 3.920 2.960 2.842 3.051 . 0 0 "[ . 1 . 2]" 1
2101 1 61 LEU H 1 61 LEU QB 3.190 . 3.190 2.477 2.391 2.580 . 0 0 "[ . 1 . 2]" 1
2102 1 61 LEU QB 1 61 LEU MD2 3.220 . 3.220 2.060 2.053 2.072 . 0 0 "[ . 1 . 2]" 1
2103 1 61 LEU QB 1 62 LYS H 3.690 . 3.690 3.559 3.514 3.584 . 0 0 "[ . 1 . 2]" 1
2104 1 67 GLN HA 1 67 GLN QE 4.490 . 4.490 3.302 2.157 4.194 . 0 0 "[ . 1 . 2]" 1
2105 1 67 GLN QB 1 67 GLN QE 3.530 . 3.530 3.094 1.757 3.676 0.146 3 0 "[ . 1 . 2]" 1
2106 1 67 GLN QE 1 67 GLN HG2 3.420 . 3.420 2.696 2.171 3.293 . 0 0 "[ . 1 . 2]" 1
2107 1 67 GLN QE 1 67 GLN HG3 3.360 . 3.360 2.689 2.206 3.293 . 0 0 "[ . 1 . 2]" 1
2108 1 96 MET QB 1 100 ASP QB 4.920 . 4.920 2.854 2.527 3.108 . 0 0 "[ . 1 . 2]" 1
2109 1 96 MET QG 1 100 ASP QB 4.200 . 4.200 3.491 3.341 4.025 . 0 0 "[ . 1 . 2]" 1
2110 1 96 MET ME 1 100 ASP QB 4.180 . 4.180 3.591 3.287 3.874 . 0 0 "[ . 1 . 2]" 1
2111 1 97 GLU H 1 97 GLU QB 3.420 . 3.420 2.759 2.456 3.247 . 0 0 "[ . 1 . 2]" 1
2112 1 97 GLU H 1 100 ASP QB 4.070 . 4.070 2.982 2.624 3.188 . 0 0 "[ . 1 . 2]" 1
2113 1 97 GLU QB 1 98 GLU H 2.980 . 2.980 2.018 1.706 3.087 0.107 2 0 "[ . 1 . 2]" 1
2114 1 98 GLU HA 1 100 ASP QB 4.750 . 4.750 3.892 3.690 4.363 . 0 0 "[ . 1 . 2]" 1
2115 1 99 GLU H 1 100 ASP QB 5.020 . 5.020 4.333 3.789 4.495 . 0 0 "[ . 1 . 2]" 1
2116 1 99 GLU HA 1 100 ASP QB 5.070 . 5.070 4.782 4.580 4.898 . 0 0 "[ . 1 . 2]" 1
2117 1 100 ASP H 1 100 ASP QB 3.080 . 3.080 2.111 2.060 2.267 . 0 0 "[ . 1 . 2]" 1
2118 1 100 ASP QB 1 102 ILE QG 4.480 . 4.480 3.827 3.648 4.016 . 0 0 "[ . 1 . 2]" 1
2119 1 108 GLN H 1 108 GLN QB 3.040 . 3.040 2.470 2.200 2.951 . 0 0 "[ . 1 . 2]" 1
2120 1 108 GLN QB 1 108 GLN QG 2.420 . 2.420 2.074 1.979 2.088 . 0 0 "[ . 1 . 2]" 1
2121 1 108 GLN QB 1 109 THR H 3.710 . 3.710 3.302 2.565 3.977 0.267 12 0 "[ . 1 . 2]" 1
2122 1 108 GLN QB 1 109 THR HA 4.810 . 4.810 4.512 4.277 4.740 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 380
_Distance_constraint_stats_list.Viol_total 378.934
_Distance_constraint_stats_list.Viol_max 0.187
_Distance_constraint_stats_list.Viol_rms 0.0331
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0163
_Distance_constraint_stats_list.Viol_average_violations_only 0.0499
_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 36 ILE 0.589 0.079 20 0 "[ . 1 . 2]"
1 37 LYS 2.111 0.161 13 0 "[ . 1 . 2]"
1 38 LEU 1.434 0.083 17 0 "[ . 1 . 2]"
1 39 LYS 0.285 0.077 18 0 "[ . 1 . 2]"
1 40 VAL 2.941 0.116 10 0 "[ . 1 . 2]"
1 41 ILE 0.012 0.012 4 0 "[ . 1 . 2]"
1 42 GLY 0.861 0.108 9 0 "[ . 1 . 2]"
1 45 SER 0.049 0.032 19 0 "[ . 1 . 2]"
1 46 SER 0.811 0.108 9 0 "[ . 1 . 2]"
1 48 ILE 2.941 0.116 10 0 "[ . 1 . 2]"
1 50 PHE 1.434 0.083 17 0 "[ . 1 . 2]"
1 52 VAL 0.589 0.079 20 0 "[ . 1 . 2]"
1 58 LEU 4.887 0.187 4 0 "[ . 1 . 2]"
1 59 LYS 0.339 0.053 10 0 "[ . 1 . 2]"
1 60 LYS 0.453 0.089 12 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 4.887 0.187 4 0 "[ . 1 . 2]"
1 63 GLU 0.698 0.053 10 0 "[ . 1 . 2]"
1 64 SER 0.799 0.089 12 0 "[ . 1 . 2]"
1 65 TYR 0.046 0.015 11 0 "[ . 1 . 2]"
1 66 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLN 0.359 0.046 13 0 "[ . 1 . 2]"
1 68 ARG 0.346 0.066 3 0 "[ . 1 . 2]"
1 69 GLN 0.046 0.015 11 0 "[ . 1 . 2]"
1 75 SER 1.437 0.138 15 0 "[ . 1 . 2]"
1 77 ARG 0.653 0.115 16 0 "[ . 1 . 2]"
1 78 PHE 0.903 0.119 15 0 "[ . 1 . 2]"
1 79 LEU 0.545 0.074 17 0 "[ . 1 . 2]"
1 80 PHE 0.748 0.074 15 0 "[ . 1 . 2]"
1 83 GLN 0.748 0.074 15 0 "[ . 1 . 2]"
1 85 ILE 0.903 0.119 15 0 "[ . 1 . 2]"
1 99 GLU 2.111 0.161 13 0 "[ . 1 . 2]"
1 100 ASP 0.035 0.030 4 0 "[ . 1 . 2]"
1 102 ILE 0.262 0.077 18 0 "[ . 1 . 2]"
1 103 GLU 0.545 0.074 17 0 "[ . 1 . 2]"
1 104 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 TYR 0.653 0.115 16 0 "[ . 1 . 2]"
1 107 GLU 1.437 0.138 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 58 LEU O 1 62 LYS H 2.220 . 2.220 2.344 2.282 2.407 0.187 4 0 "[ . 1 . 2]" 2
2 1 58 LEU O 1 62 LYS N 3.130 . 3.130 3.250 3.199 3.313 0.183 4 0 "[ . 1 . 2]" 2
3 1 59 LYS O 1 63 GLU H 2.220 . 2.220 2.163 1.972 2.221 0.001 15 0 "[ . 1 . 2]" 2
4 1 59 LYS O 1 63 GLU N 3.130 . 3.130 3.119 2.917 3.183 0.053 10 0 "[ . 1 . 2]" 2
5 1 60 LYS O 1 64 SER H 2.220 . 2.220 2.119 1.892 2.247 0.027 17 0 "[ . 1 . 2]" 2
6 1 60 LYS O 1 64 SER N 3.130 . 3.130 3.083 2.851 3.219 0.089 12 0 "[ . 1 . 2]" 2
7 1 61 LEU O 1 65 TYR H 2.220 . 2.220 2.054 1.936 2.138 . 0 0 "[ . 1 . 2]" 2
8 1 61 LEU O 1 65 TYR N 3.130 . 3.130 2.837 2.777 2.925 . 0 0 "[ . 1 . 2]" 2
9 1 62 LYS O 1 66 CYS H 2.220 . 2.220 1.949 1.811 2.127 . 0 0 "[ . 1 . 2]" 2
10 1 62 LYS O 1 66 CYS N 3.130 . 3.130 2.922 2.782 3.098 . 0 0 "[ . 1 . 2]" 2
11 1 63 GLU O 1 67 GLN H 2.220 . 2.220 1.789 1.754 1.843 0.046 13 0 "[ . 1 . 2]" 2
12 1 63 GLU O 1 67 GLN N 3.130 . 3.130 2.708 2.675 2.770 . 0 0 "[ . 1 . 2]" 2
13 1 64 SER O 1 68 ARG H 2.220 . 2.220 2.211 2.006 2.286 0.066 3 0 "[ . 1 . 2]" 2
14 1 64 SER O 1 68 ARG N 3.130 . 3.130 3.024 2.866 3.138 0.008 4 0 "[ . 1 . 2]" 2
15 1 65 TYR O 1 69 GLN H 2.220 . 2.220 1.842 1.785 1.925 0.015 11 0 "[ . 1 . 2]" 2
16 1 65 TYR O 1 69 GLN N 3.130 . 3.130 2.796 2.738 2.871 . 0 0 "[ . 1 . 2]" 2
17 1 36 ILE H 1 52 VAL O 2.120 . 2.120 2.014 1.805 2.199 0.079 20 0 "[ . 1 . 2]" 2
18 1 36 ILE N 1 52 VAL O 3.050 . 3.050 2.803 2.689 2.927 . 0 0 "[ . 1 . 2]" 2
19 1 36 ILE O 1 52 VAL H 2.120 . 2.120 2.041 1.789 2.193 0.073 19 0 "[ . 1 . 2]" 2
20 1 36 ILE O 1 52 VAL N 3.050 . 3.050 2.820 2.684 2.941 . 0 0 "[ . 1 . 2]" 2
21 1 38 LEU H 1 50 PHE O 2.120 . 2.120 1.917 1.799 2.007 0.001 4 0 "[ . 1 . 2]" 2
22 1 38 LEU N 1 50 PHE O 3.050 . 3.050 2.832 2.716 2.928 . 0 0 "[ . 1 . 2]" 2
23 1 38 LEU O 1 50 PHE H 2.120 . 2.120 2.150 2.120 2.186 0.066 17 0 "[ . 1 . 2]" 2
24 1 38 LEU O 1 50 PHE N 3.050 . 3.050 3.092 3.064 3.133 0.083 17 0 "[ . 1 . 2]" 2
25 1 40 VAL H 1 48 ILE O 2.120 . 2.120 2.182 2.065 2.236 0.116 10 0 "[ . 1 . 2]" 2
26 1 40 VAL N 1 48 ILE O 3.050 . 3.050 3.082 2.999 3.111 0.061 10 0 "[ . 1 . 2]" 2
27 1 40 VAL O 1 48 ILE H 2.120 . 2.120 2.149 2.012 2.200 0.080 1 0 "[ . 1 . 2]" 2
28 1 40 VAL O 1 48 ILE N 3.050 . 3.050 3.046 2.936 3.085 0.035 4 0 "[ . 1 . 2]" 2
29 1 42 GLY H 1 46 SER O 2.120 . 2.120 2.106 1.977 2.196 0.076 9 0 "[ . 1 . 2]" 2
30 1 42 GLY N 1 46 SER O 3.050 . 3.050 3.060 2.940 3.158 0.108 9 0 "[ . 1 . 2]" 2
31 1 42 GLY O 1 45 SER H 2.120 . 2.120 2.048 1.932 2.152 0.032 19 0 "[ . 1 . 2]" 2
32 1 42 GLY O 1 45 SER N 3.050 . 3.050 2.939 2.842 3.049 . 0 0 "[ . 1 . 2]" 2
33 1 37 LYS O 1 99 GLU H 2.120 . 2.120 1.696 1.639 1.838 0.161 13 0 "[ . 1 . 2]" 2
34 1 37 LYS O 1 99 GLU N 3.050 . 3.050 2.605 2.523 2.680 . 0 0 "[ . 1 . 2]" 2
35 1 39 LYS H 1 100 ASP O 2.120 . 2.120 2.017 1.838 2.150 0.030 4 0 "[ . 1 . 2]" 2
36 1 39 LYS N 1 100 ASP O 3.050 . 3.050 2.873 2.758 2.982 . 0 0 "[ . 1 . 2]" 2
37 1 39 LYS O 1 102 ILE H 2.120 . 2.120 2.109 2.033 2.197 0.077 18 0 "[ . 1 . 2]" 2
38 1 39 LYS O 1 102 ILE N 3.050 . 3.050 2.974 2.895 3.028 . 0 0 "[ . 1 . 2]" 2
39 1 41 ILE H 1 102 ILE O 2.120 . 2.120 2.018 1.919 2.103 . 0 0 "[ . 1 . 2]" 2
40 1 41 ILE N 1 102 ILE O 3.050 . 3.050 2.961 2.870 3.062 0.012 4 0 "[ . 1 . 2]" 2
41 1 41 ILE O 1 104 VAL H 2.120 . 2.120 1.950 1.819 2.059 . 0 0 "[ . 1 . 2]" 2
42 1 41 ILE O 1 104 VAL N 3.050 . 3.050 2.850 2.726 2.954 . 0 0 "[ . 1 . 2]" 2
43 1 80 PHE O 1 83 GLN H 2.120 . 2.120 1.781 1.746 1.835 0.054 16 0 "[ . 1 . 2]" 2
44 1 80 PHE O 1 83 GLN N 3.050 . 3.050 2.669 2.632 2.700 . 0 0 "[ . 1 . 2]" 2
45 1 80 PHE H 1 83 GLN O 2.120 . 2.120 2.018 1.772 2.194 0.074 15 0 "[ . 1 . 2]" 2
46 1 80 PHE N 1 83 GLN O 3.050 . 3.050 2.911 2.675 3.039 . 0 0 "[ . 1 . 2]" 2
47 1 78 PHE O 1 85 ILE H 2.120 . 2.120 2.149 2.038 2.239 0.119 15 0 "[ . 1 . 2]" 2
48 1 78 PHE O 1 85 ILE N 3.050 . 3.050 3.020 2.905 3.114 0.064 7 0 "[ . 1 . 2]" 2
49 1 75 SER O 1 107 GLU H 2.120 . 2.120 2.177 2.053 2.258 0.138 15 0 "[ . 1 . 2]" 2
50 1 75 SER O 1 107 GLU N 3.050 . 3.050 3.007 2.853 3.131 0.081 15 0 "[ . 1 . 2]" 2
51 1 77 ARG O 1 105 TYR H 2.120 . 2.120 2.135 2.029 2.235 0.115 16 0 "[ . 1 . 2]" 2
52 1 77 ARG O 1 105 TYR N 3.050 . 3.050 2.960 2.901 3.032 . 0 0 "[ . 1 . 2]" 2
53 1 77 ARG H 1 105 TYR O 2.120 . 2.120 1.842 1.784 1.915 0.016 4 0 "[ . 1 . 2]" 2
54 1 77 ARG N 1 105 TYR O 3.050 . 3.050 2.799 2.745 2.859 . 0 0 "[ . 1 . 2]" 2
55 1 79 LEU H 1 103 GLU O 2.120 . 2.120 1.781 1.726 1.901 0.074 17 0 "[ . 1 . 2]" 2
56 1 79 LEU N 1 103 GLU O 3.050 . 3.050 2.740 2.700 2.839 . 0 0 "[ . 1 . 2]" 2
57 1 79 LEU O 1 103 GLU H 2.120 . 2.120 1.885 1.807 2.037 . 0 0 "[ . 1 . 2]" 2
58 1 79 LEU O 1 103 GLU N 3.050 . 3.050 2.801 2.736 2.910 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 8:50:31 PM GMT (wattos1)