NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431749 |
2jr1   |
15314 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jr1
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 851
_Distance_constraint_stats_list.Viol_count 1835
_Distance_constraint_stats_list.Viol_total 3254.833
_Distance_constraint_stats_list.Viol_max 0.418
_Distance_constraint_stats_list.Viol_rms 0.0354
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.0887
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PHE 0.052 0.033 17 0 "[ . 1 . 2]"
1 2 ASN 4.953 0.296 2 0 "[ . 1 . 2]"
1 3 VAL 4.536 0.358 1 0 "[ . 1 . 2]"
1 4 LYS 0.229 0.090 10 0 "[ . 1 . 2]"
1 5 GLN 1.501 0.171 20 0 "[ . 1 . 2]"
1 6 LYS 3.438 0.166 1 0 "[ . 1 . 2]"
1 7 SER 8.149 0.418 7 0 "[ . 1 . 2]"
1 8 GLU 2.048 0.184 14 0 "[ . 1 . 2]"
1 9 ILE 5.327 0.219 6 0 "[ . 1 . 2]"
1 10 THR 5.611 0.183 20 0 "[ . 1 . 2]"
1 11 ALA 5.890 0.310 16 0 "[ . 1 . 2]"
1 12 LEU 6.147 0.291 4 0 "[ . 1 . 2]"
1 13 VAL 5.463 0.178 1 0 "[ . 1 . 2]"
1 14 LYS 0.550 0.091 5 0 "[ . 1 . 2]"
1 15 GLU 0.186 0.057 20 0 "[ . 1 . 2]"
1 16 VAL 0.775 0.108 5 0 "[ . 1 . 2]"
1 17 THR 3.909 0.287 15 0 "[ . 1 . 2]"
1 18 PRO 3.612 0.287 15 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ARG 1.045 0.215 6 0 "[ . 1 . 2]"
1 21 LYS 0.176 0.160 20 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 2.664 0.167 16 0 "[ . 1 . 2]"
1 25 LYS 2.753 0.167 16 0 "[ . 1 . 2]"
1 26 ALA 8.708 0.310 16 0 "[ . 1 . 2]"
1 27 LYS 3.211 0.171 7 0 "[ . 1 . 2]"
1 28 ARG 5.676 0.219 6 0 "[ . 1 . 2]"
1 29 GLU 0.245 0.065 17 0 "[ . 1 . 2]"
1 30 ALA 8.115 0.418 7 0 "[ . 1 . 2]"
1 31 PRO 5.088 0.268 12 0 "[ . 1 . 2]"
1 32 ILE 5.123 0.254 18 0 "[ . 1 . 2]"
1 33 LYS 7.510 0.287 4 0 "[ . 1 . 2]"
1 34 TYR 5.777 0.287 4 0 "[ . 1 . 2]"
1 35 TRP 0.246 0.061 14 0 "[ . 1 . 2]"
1 36 LEU 4.846 0.213 14 0 "[ . 1 . 2]"
1 37 PRO 0.995 0.075 17 0 "[ . 1 . 2]"
1 38 HIS 3.130 0.198 19 0 "[ . 1 . 2]"
1 39 SER 0.614 0.107 20 0 "[ . 1 . 2]"
1 40 GLY 2.311 0.173 13 0 "[ . 1 . 2]"
1 41 ALA 0.037 0.037 6 0 "[ . 1 . 2]"
1 42 THR 0.474 0.088 2 0 "[ . 1 . 2]"
1 43 TRP 3.319 0.177 13 0 "[ . 1 . 2]"
1 44 SER 0.395 0.112 12 0 "[ . 1 . 2]"
1 45 GLY 0.271 0.152 6 0 "[ . 1 . 2]"
1 46 ARG 0.888 0.144 16 0 "[ . 1 . 2]"
1 47 GLY 0.082 0.077 17 0 "[ . 1 . 2]"
1 48 LYS 2.235 0.177 13 0 "[ . 1 . 2]"
1 49 ILE 2.087 0.168 8 0 "[ . 1 . 2]"
1 50 PRO 2.439 0.173 1 0 "[ . 1 . 2]"
1 51 LYS 2.263 0.173 1 0 "[ . 1 . 2]"
1 52 PRO 1.185 0.142 20 0 "[ . 1 . 2]"
1 53 PHE 13.901 0.268 12 0 "[ . 1 . 2]"
1 54 GLU 5.914 0.144 2 0 "[ . 1 . 2]"
1 55 ALA 6.894 0.302 9 0 "[ . 1 . 2]"
1 56 TRP 3.261 0.170 2 0 "[ . 1 . 2]"
1 57 ILE 14.300 0.302 9 0 "[ . 1 . 2]"
1 58 GLY 3.007 0.221 9 0 "[ . 1 . 2]"
1 59 THR 6.462 0.241 17 0 "[ . 1 . 2]"
1 60 ALA 5.623 0.221 9 0 "[ . 1 . 2]"
1 61 ALA 5.165 0.235 12 0 "[ . 1 . 2]"
1 62 TYR 9.811 0.243 12 0 "[ . 1 . 2]"
1 63 THR 6.471 0.235 12 0 "[ . 1 . 2]"
1 64 ALA 8.451 0.245 17 0 "[ . 1 . 2]"
1 65 TRP 16.014 0.301 19 0 "[ . 1 . 2]"
1 66 LYS 10.821 0.294 17 0 "[ . 1 . 2]"
1 67 ALA 0.317 0.042 3 0 "[ . 1 . 2]"
1 68 LYS 3.917 0.191 17 0 "[ . 1 . 2]"
1 69 HIS 2.359 0.296 2 0 "[ . 1 . 2]"
1 70 PRO 6.070 0.268 7 0 "[ . 1 . 2]"
1 71 ASP 1.847 0.303 15 0 "[ . 1 . 2]"
1 72 GLU 12.243 0.358 1 0 "[ . 1 . 2]"
1 73 LYS 0.518 0.161 9 0 "[ . 1 . 2]"
1 74 PHE 2.125 0.127 18 0 "[ . 1 . 2]"
1 75 PRO 3.376 0.127 18 0 "[ . 1 . 2]"
1 76 ALA 2.477 0.099 8 0 "[ . 1 . 2]"
1 77 PHE 3.750 0.241 17 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 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 1 PHE HA 1 1 PHE HE1 5.140 . 5.140 4.783 4.634 5.127 . 0 0 "[ . 1 . 2]" 1
2 1 1 PHE HA 1 2 ASN H 2.860 . 2.860 2.302 2.071 2.594 . 0 0 "[ . 1 . 2]" 1
3 1 1 PHE QB 1 1 PHE QD 3.110 . 3.110 2.217 2.206 2.229 . 0 0 "[ . 1 . 2]" 1
4 1 1 PHE QB 1 2 ASN HA 6.340 . 6.340 4.601 4.450 5.080 . 0 0 "[ . 1 . 2]" 1
5 1 1 PHE QD 1 2 ASN H 3.320 . 3.320 2.948 2.394 3.353 0.033 17 0 "[ . 1 . 2]" 1
6 1 2 ASN H 1 2 ASN HB2 3.000 . 3.000 2.521 2.371 2.707 . 0 0 "[ . 1 . 2]" 1
7 1 2 ASN H 1 2 ASN HB3 3.720 . 3.720 2.680 2.450 2.928 . 0 0 "[ . 1 . 2]" 1
8 1 2 ASN H 1 2 ASN QD 6.900 . 6.900 4.595 4.491 4.787 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASN H 1 3 VAL H 2.620 . 2.620 2.716 2.583 2.782 0.162 11 0 "[ . 1 . 2]" 1
10 1 2 ASN HA 1 2 ASN HB2 2.960 . 2.960 2.581 2.514 2.671 . 0 0 "[ . 1 . 2]" 1
11 1 2 ASN HA 1 3 VAL HA 4.880 . 4.880 4.719 4.560 4.896 0.016 12 0 "[ . 1 . 2]" 1
12 1 2 ASN HA 1 3 VAL HB 5.830 . 5.830 5.639 5.266 5.834 0.004 5 0 "[ . 1 . 2]" 1
13 1 2 ASN HB2 1 33 LYS QG 6.880 . 6.880 5.240 4.363 5.903 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASN HB2 1 69 HIS HE1 6.000 . 6.000 5.925 5.360 6.296 0.296 2 0 "[ . 1 . 2]" 1
15 1 2 ASN HB3 1 3 VAL H 2.660 . 2.660 2.714 2.553 2.814 0.154 18 0 "[ . 1 . 2]" 1
16 1 2 ASN HB3 1 33 LYS QG 5.980 . 5.980 4.760 3.938 5.262 . 0 0 "[ . 1 . 2]" 1
17 1 2 ASN QD 1 33 LYS QD 4.890 . 4.890 3.480 2.648 3.933 . 0 0 "[ . 1 . 2]" 1
18 1 2 ASN QD 1 33 LYS QG 4.110 . 4.110 2.887 2.074 3.353 . 0 0 "[ . 1 . 2]" 1
19 1 2 ASN QD 1 69 HIS HE1 4.920 . 4.920 3.795 2.807 4.491 . 0 0 "[ . 1 . 2]" 1
20 1 3 VAL H 1 3 VAL HB 2.970 . 2.970 2.827 2.533 3.111 0.141 11 0 "[ . 1 . 2]" 1
21 1 3 VAL H 1 3 VAL MG2 4.800 . 4.800 3.988 3.853 4.091 . 0 0 "[ . 1 . 2]" 1
22 1 3 VAL H 1 4 LYS H 4.600 . 4.600 4.426 4.211 4.690 0.090 10 0 "[ . 1 . 2]" 1
23 1 3 VAL HA 1 3 VAL HB 2.680 . 2.680 2.461 2.388 2.632 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL HA 1 3 VAL MG2 3.150 . 3.150 2.292 2.228 2.352 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL HA 1 33 LYS QE 6.880 . 6.880 4.314 3.089 5.746 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL HA 1 69 HIS HE1 5.090 . 5.090 2.913 2.281 4.998 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL HB 1 69 HIS HE1 4.310 . 4.310 3.030 2.483 3.329 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL MG2 1 4 LYS H 6.000 . 6.000 2.991 1.980 3.334 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL MG2 1 69 HIS HE1 3.130 . 3.130 3.087 2.804 3.212 0.082 10 0 "[ . 1 . 2]" 1
30 1 3 VAL MG2 1 72 GLU HA 6.000 . 6.000 4.115 3.613 4.910 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL MG2 1 72 GLU HB2 3.480 . 3.480 2.741 2.250 3.838 0.358 1 0 "[ . 1 . 2]" 1
32 1 4 LYS H 1 4 LYS QB 3.600 . 3.600 2.846 2.656 3.270 . 0 0 "[ . 1 . 2]" 1
33 1 4 LYS H 1 4 LYS QD 5.470 . 5.470 4.859 4.521 5.079 . 0 0 "[ . 1 . 2]" 1
34 1 4 LYS H 1 5 GLN H 4.600 . 4.600 4.112 3.269 4.309 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS H 1 72 GLU QG 4.150 . 4.150 2.380 2.184 2.713 . 0 0 "[ . 1 . 2]" 1
36 1 4 LYS HA 1 5 GLN H 2.580 . 2.580 2.105 2.009 2.184 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLN H 1 5 GLN QB 3.460 . 3.460 2.288 2.045 2.411 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLN H 1 5 GLN QG 5.240 . 5.240 3.165 2.606 3.486 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLN H 1 6 LYS H 4.620 . 4.620 4.655 4.628 4.692 0.072 9 0 "[ . 1 . 2]" 1
40 1 5 GLN H 1 72 GLU HA 6.000 . 6.000 4.719 4.380 5.371 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLN HA 1 6 LYS H 2.770 . 2.770 2.414 2.285 2.579 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLN QB 1 6 LYS H 3.700 . 3.700 2.370 2.104 2.663 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLN QB 1 72 GLU HA 5.050 . 5.050 4.540 4.294 4.774 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLN QE 1 72 GLU HA 3.750 . 3.750 2.728 2.248 3.420 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLN HE21 1 72 GLU H 6.000 . 6.000 4.467 3.890 5.616 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLN HE21 1 72 GLU HA 4.090 . 4.090 2.894 2.260 4.194 0.104 5 0 "[ . 1 . 2]" 1
47 1 5 GLN HE22 1 72 GLU H 6.000 . 6.000 5.224 4.509 6.061 0.061 1 0 "[ . 1 . 2]" 1
48 1 5 GLN HE22 1 72 GLU HA 4.090 . 4.090 3.822 3.113 4.261 0.171 20 0 "[ . 1 . 2]" 1
49 1 5 GLN QG 1 71 ASP H 6.880 . 6.880 5.231 4.848 5.987 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLN QG 1 72 GLU HA 3.870 . 3.870 2.850 2.542 3.259 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLN QG 1 72 GLU QG 5.450 . 5.450 3.720 3.010 4.200 . 0 0 "[ . 1 . 2]" 1
52 1 6 LYS H 1 6 LYS QD 5.940 . 5.940 3.790 3.065 4.227 . 0 0 "[ . 1 . 2]" 1
53 1 6 LYS H 1 6 LYS QG 5.410 . 5.410 2.868 2.176 4.019 . 0 0 "[ . 1 . 2]" 1
54 1 6 LYS H 1 7 SER H 4.540 . 4.540 4.670 4.611 4.706 0.166 1 0 "[ . 1 . 2]" 1
55 1 6 LYS H 1 72 GLU HA 6.040 . 6.040 4.775 4.462 5.119 . 0 0 "[ . 1 . 2]" 1
56 1 6 LYS HA 1 6 LYS QB 2.650 . 2.650 2.462 2.377 2.609 . 0 0 "[ . 1 . 2]" 1
57 1 6 LYS HA 1 7 SER H 2.430 . 2.430 2.216 2.080 2.381 . 0 0 "[ . 1 . 2]" 1
58 1 6 LYS HA 1 30 ALA H 4.320 . 4.320 4.170 3.868 4.376 0.056 13 0 "[ . 1 . 2]" 1
59 1 6 LYS HA 1 30 ALA MB 4.580 . 4.580 2.143 1.992 2.235 . 0 0 "[ . 1 . 2]" 1
60 1 6 LYS QB 1 30 ALA H 6.880 . 6.880 3.968 3.461 4.696 . 0 0 "[ . 1 . 2]" 1
61 1 6 LYS QB 1 74 PHE HA 5.390 . 5.390 4.643 3.899 4.977 . 0 0 "[ . 1 . 2]" 1
62 1 6 LYS QB 1 74 PHE QB 5.150 . 5.150 3.153 2.691 3.657 . 0 0 "[ . 1 . 2]" 1
63 1 6 LYS HB2 1 74 PHE HB2 6.280 . 6.280 3.464 2.866 4.412 . 0 0 "[ . 1 . 2]" 1
64 1 6 LYS HB2 1 74 PHE HB3 6.280 . 6.280 5.135 4.581 6.106 . 0 0 "[ . 1 . 2]" 1
65 1 6 LYS HB3 1 74 PHE HB2 6.280 . 6.280 3.856 3.327 4.132 . 0 0 "[ . 1 . 2]" 1
66 1 6 LYS HB3 1 74 PHE HB3 6.280 . 6.280 5.276 4.828 5.678 . 0 0 "[ . 1 . 2]" 1
67 1 6 LYS QD 1 72 GLU HA 5.880 . 5.880 4.936 4.653 5.326 . 0 0 "[ . 1 . 2]" 1
68 1 6 LYS QD 1 72 GLU QG 7.750 . 7.750 4.322 3.982 4.991 . 0 0 "[ . 1 . 2]" 1
69 1 6 LYS QD 1 73 LYS H 5.430 . 5.430 4.577 4.378 4.726 . 0 0 "[ . 1 . 2]" 1
70 1 6 LYS QD 1 73 LYS HA 4.190 . 4.190 2.175 1.994 2.583 . 0 0 "[ . 1 . 2]" 1
71 1 6 LYS QD 1 73 LYS QG 5.180 . 5.180 3.586 3.014 4.068 . 0 0 "[ . 1 . 2]" 1
72 1 6 LYS QD 1 74 PHE H 3.530 . 3.530 2.617 2.236 2.991 . 0 0 "[ . 1 . 2]" 1
73 1 6 LYS QD 1 74 PHE QB 4.620 . 4.620 3.183 2.410 3.730 . 0 0 "[ . 1 . 2]" 1
74 1 6 LYS QE 1 30 ALA MB 3.290 . 3.290 2.061 1.927 2.215 . 0 0 "[ . 1 . 2]" 1
75 1 6 LYS QE 1 39 SER QB 5.200 . 5.200 3.115 2.758 3.449 . 0 0 "[ . 1 . 2]" 1
76 1 6 LYS QE 1 72 GLU HA 5.700 . 5.700 4.059 3.546 4.858 . 0 0 "[ . 1 . 2]" 1
77 1 6 LYS QG 1 30 ALA MB 4.320 . 4.320 3.236 2.344 4.021 . 0 0 "[ . 1 . 2]" 1
78 1 6 LYS QG 1 74 PHE H 4.000 . 4.000 3.000 2.366 3.650 . 0 0 "[ . 1 . 2]" 1
79 1 6 LYS QG 1 74 PHE QB 4.530 . 4.530 2.184 2.070 2.436 . 0 0 "[ . 1 . 2]" 1
80 1 6 LYS QG 1 74 PHE HD1 4.180 . 4.180 3.369 2.370 3.803 . 0 0 "[ . 1 . 2]" 1
81 1 6 LYS QG 1 74 PHE HE1 6.880 . 6.880 5.436 4.513 5.932 . 0 0 "[ . 1 . 2]" 1
82 1 6 LYS QG 1 75 PRO HD2 6.880 . 6.880 5.641 5.061 6.048 . 0 0 "[ . 1 . 2]" 1
83 1 7 SER H 1 7 SER QB 3.470 . 3.470 2.839 2.578 3.128 . 0 0 "[ . 1 . 2]" 1
84 1 7 SER H 1 8 GLU H 4.600 . 4.600 4.010 3.812 4.296 . 0 0 "[ . 1 . 2]" 1
85 1 7 SER H 1 29 GLU HA 6.000 . 6.000 4.151 3.933 4.439 . 0 0 "[ . 1 . 2]" 1
86 1 7 SER H 1 30 ALA H 2.450 . 2.450 2.728 2.658 2.868 0.418 7 0 "[ . 1 . 2]" 1
87 1 7 SER HA 1 8 GLU H 2.550 . 2.550 2.180 2.112 2.332 . 0 0 "[ . 1 . 2]" 1
88 1 7 SER QB 1 28 ARG QD 6.790 . 6.790 5.395 4.827 5.624 . 0 0 "[ . 1 . 2]" 1
89 1 8 GLU H 1 8 GLU HB2 4.010 . 4.010 2.644 2.437 2.802 . 0 0 "[ . 1 . 2]" 1
90 1 8 GLU H 1 8 GLU QB 3.380 . 3.380 2.597 2.405 2.742 . 0 0 "[ . 1 . 2]" 1
91 1 8 GLU H 1 8 GLU HB3 4.010 . 4.010 3.804 3.685 3.895 . 0 0 "[ . 1 . 2]" 1
92 1 8 GLU H 1 8 GLU QG 5.790 . 5.790 2.965 2.852 3.198 . 0 0 "[ . 1 . 2]" 1
93 1 8 GLU H 1 9 ILE H 4.250 . 4.250 4.228 4.066 4.330 0.080 6 0 "[ . 1 . 2]" 1
94 1 8 GLU H 1 29 GLU HA 6.000 . 6.000 4.870 4.714 5.038 . 0 0 "[ . 1 . 2]" 1
95 1 8 GLU HA 1 9 ILE H 2.490 . 2.490 2.197 2.143 2.238 . 0 0 "[ . 1 . 2]" 1
96 1 8 GLU HA 1 28 ARG H 4.400 . 4.400 4.484 4.359 4.584 0.184 14 0 "[ . 1 . 2]" 1
97 1 8 GLU HA 1 29 GLU HA 3.200 . 3.200 2.642 2.359 2.965 . 0 0 "[ . 1 . 2]" 1
98 1 8 GLU HA 1 29 GLU QG 3.700 . 3.700 2.553 2.268 2.935 . 0 0 "[ . 1 . 2]" 1
99 1 8 GLU HA 1 30 ALA H 5.020 . 5.020 4.131 3.869 4.445 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLU QB 1 29 GLU HA 5.830 . 5.830 4.323 3.896 4.668 . 0 0 "[ . 1 . 2]" 1
101 1 8 GLU QB 1 29 GLU QG 6.750 . 6.750 3.021 2.468 3.565 . 0 0 "[ . 1 . 2]" 1
102 1 8 GLU QG 1 9 ILE H 5.310 . 5.310 4.351 4.294 4.428 . 0 0 "[ . 1 . 2]" 1
103 1 8 GLU QG 1 29 GLU HA 3.400 . 3.400 2.861 2.501 3.181 . 0 0 "[ . 1 . 2]" 1
104 1 8 GLU QG 1 29 GLU QG 4.500 . 4.500 2.253 2.141 2.427 . 0 0 "[ . 1 . 2]" 1
105 1 8 GLU QG 1 74 PHE HD1 6.880 . 6.880 5.437 4.709 6.054 . 0 0 "[ . 1 . 2]" 1
106 1 9 ILE H 1 9 ILE HB 2.690 . 2.690 2.681 2.604 2.795 0.105 17 0 "[ . 1 . 2]" 1
107 1 9 ILE H 1 9 ILE QG 5.120 . 5.120 3.074 2.631 3.728 . 0 0 "[ . 1 . 2]" 1
108 1 9 ILE H 1 9 ILE MG 4.620 . 4.620 3.984 3.941 4.023 . 0 0 "[ . 1 . 2]" 1
109 1 9 ILE H 1 10 THR H 4.460 . 4.460 4.526 4.462 4.579 0.119 13 0 "[ . 1 . 2]" 1
110 1 9 ILE H 1 27 LYS HA 4.900 . 4.900 4.920 4.866 4.985 0.085 20 0 "[ . 1 . 2]" 1
111 1 9 ILE H 1 28 ARG H 3.010 . 3.010 3.141 3.080 3.229 0.219 6 0 "[ . 1 . 2]" 1
112 1 9 ILE H 1 28 ARG QB 3.420 . 3.420 2.680 2.427 2.834 . 0 0 "[ . 1 . 2]" 1
113 1 9 ILE HA 1 9 ILE MG 3.190 . 3.190 2.548 2.461 2.615 . 0 0 "[ . 1 . 2]" 1
114 1 9 ILE HA 1 10 THR H 2.360 . 2.360 2.111 2.063 2.172 . 0 0 "[ . 1 . 2]" 1
115 1 9 ILE HB 1 10 THR H 4.030 . 4.030 3.956 3.834 4.120 0.090 14 0 "[ . 1 . 2]" 1
116 1 9 ILE HB 1 28 ARG QB 4.240 . 4.240 2.032 1.977 2.079 . 0 0 "[ . 1 . 2]" 1
117 1 9 ILE HB 1 28 ARG QG 4.800 . 4.800 3.006 2.386 3.873 . 0 0 "[ . 1 . 2]" 1
118 1 9 ILE QG 1 28 ARG QD 4.630 . 4.630 3.121 2.542 3.947 . 0 0 "[ . 1 . 2]" 1
119 1 9 ILE MG 1 10 THR H 2.730 . 2.730 2.365 2.223 2.540 . 0 0 "[ . 1 . 2]" 1
120 1 9 ILE MG 1 10 THR HA 5.000 . 5.000 4.179 4.138 4.241 . 0 0 "[ . 1 . 2]" 1
121 1 9 ILE MG 1 28 ARG QD 3.310 . 3.310 2.429 2.242 2.652 . 0 0 "[ . 1 . 2]" 1
122 1 10 THR H 1 10 THR HA 2.920 . 2.920 2.906 2.816 2.973 0.053 2 0 "[ . 1 . 2]" 1
123 1 10 THR H 1 10 THR HB 2.280 . 2.280 2.367 2.301 2.463 0.183 20 0 "[ . 1 . 2]" 1
124 1 10 THR H 1 10 THR MG 4.320 . 4.320 3.511 2.282 3.824 . 0 0 "[ . 1 . 2]" 1
125 1 10 THR H 1 11 ALA H 4.610 . 4.610 4.663 4.630 4.688 0.078 16 0 "[ . 1 . 2]" 1
126 1 10 THR HA 1 11 ALA H 2.490 . 2.490 2.283 2.217 2.351 . 0 0 "[ . 1 . 2]" 1
127 1 10 THR HA 1 27 LYS QB 6.880 . 6.880 6.121 5.969 6.260 . 0 0 "[ . 1 . 2]" 1
128 1 10 THR HA 1 28 ARG H 5.000 . 5.000 5.026 4.794 5.124 0.124 10 0 "[ . 1 . 2]" 1
129 1 10 THR HB 1 12 LEU QD 7.580 . 7.580 5.229 4.055 5.671 . 0 0 "[ . 1 . 2]" 1
130 1 11 ALA H 1 11 ALA HA 2.870 . 2.870 2.819 2.746 2.909 0.039 17 0 "[ . 1 . 2]" 1
131 1 11 ALA H 1 11 ALA MB 2.760 . 2.760 2.216 2.158 2.263 . 0 0 "[ . 1 . 2]" 1
132 1 11 ALA H 1 12 LEU H 4.630 . 4.630 4.587 4.430 4.669 0.039 13 0 "[ . 1 . 2]" 1
133 1 11 ALA H 1 26 ALA H 4.860 . 4.860 5.067 4.980 5.170 0.310 16 0 "[ . 1 . 2]" 1
134 1 11 ALA H 1 26 ALA MB 6.000 . 6.000 4.547 4.393 4.663 . 0 0 "[ . 1 . 2]" 1
135 1 11 ALA H 1 27 LYS HA 4.900 . 4.900 4.875 4.675 5.071 0.171 7 0 "[ . 1 . 2]" 1
136 1 11 ALA HA 1 12 LEU H 2.630 . 2.630 2.116 2.031 2.224 . 0 0 "[ . 1 . 2]" 1
137 1 11 ALA MB 1 26 ALA H 3.810 . 3.810 2.070 1.930 2.184 . 0 0 "[ . 1 . 2]" 1
138 1 11 ALA MB 1 26 ALA MB 3.150 . 3.150 2.705 2.316 3.088 . 0 0 "[ . 1 . 2]" 1
139 1 11 ALA MB 1 27 LYS QE 3.640 . 3.640 2.446 2.172 2.991 . 0 0 "[ . 1 . 2]" 1
140 1 12 LEU H 1 12 LEU HB2 3.320 . 3.320 2.619 2.236 3.055 . 0 0 "[ . 1 . 2]" 1
141 1 12 LEU H 1 12 LEU QB 2.950 . 2.950 2.420 2.210 2.635 . 0 0 "[ . 1 . 2]" 1
142 1 12 LEU H 1 12 LEU HB3 3.320 . 3.320 3.091 2.618 3.553 0.233 8 0 "[ . 1 . 2]" 1
143 1 12 LEU H 1 12 LEU QD 6.970 . 6.970 3.705 3.040 4.055 . 0 0 "[ . 1 . 2]" 1
144 1 12 LEU H 1 12 LEU HG 5.100 . 5.100 4.525 3.437 4.797 . 0 0 "[ . 1 . 2]" 1
145 1 12 LEU H 1 13 VAL H 4.400 . 4.400 4.487 4.450 4.517 0.117 4 0 "[ . 1 . 2]" 1
146 1 12 LEU H 1 26 ALA MB 2.900 . 2.900 1.740 1.609 1.822 0.291 4 0 "[ . 1 . 2]" 1
147 1 12 LEU HA 1 13 VAL H 2.560 . 2.560 2.213 2.120 2.415 . 0 0 "[ . 1 . 2]" 1
148 1 12 LEU QB 1 13 VAL HA 5.540 . 5.540 4.750 4.393 4.952 . 0 0 "[ . 1 . 2]" 1
149 1 13 VAL H 1 13 VAL HA 2.940 . 2.940 2.930 2.871 2.958 0.018 20 0 "[ . 1 . 2]" 1
150 1 13 VAL H 1 13 VAL HB 3.560 . 3.560 3.701 3.684 3.738 0.178 1 0 "[ . 1 . 2]" 1
151 1 13 VAL H 1 13 VAL QG 3.650 . 3.650 2.011 1.942 2.093 . 0 0 "[ . 1 . 2]" 1
152 1 13 VAL H 1 14 LYS H 4.670 . 4.670 4.689 4.643 4.712 0.042 2 0 "[ . 1 . 2]" 1
153 1 13 VAL H 1 24 SER H 6.010 . 6.010 5.863 5.470 6.052 0.042 13 0 "[ . 1 . 2]" 1
154 1 13 VAL HA 1 14 LYS H 2.470 . 2.470 2.211 2.132 2.396 . 0 0 "[ . 1 . 2]" 1
155 1 13 VAL HA 1 14 LYS QB 5.940 . 5.940 3.991 3.828 4.140 . 0 0 "[ . 1 . 2]" 1
156 1 13 VAL HA 1 24 SER QB 5.380 . 5.380 4.070 3.043 4.837 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL HB 1 14 LYS H 2.970 . 2.970 2.804 2.336 3.061 0.091 5 0 "[ . 1 . 2]" 1
158 1 13 VAL HB 1 21 LYS QB 4.380 . 4.380 2.750 2.080 3.543 . 0 0 "[ . 1 . 2]" 1
159 1 13 VAL HB 1 21 LYS HE2 6.000 . 6.000 5.260 4.156 6.160 0.160 20 0 "[ . 1 . 2]" 1
160 1 13 VAL HB 1 21 LYS QE 5.490 . 5.490 4.567 3.553 5.097 . 0 0 "[ . 1 . 2]" 1
161 1 13 VAL HB 1 21 LYS HE3 6.000 . 6.000 5.150 3.859 6.005 0.005 1 0 "[ . 1 . 2]" 1
162 1 13 VAL QG 1 21 LYS QD 7.880 . 7.880 2.247 1.905 3.400 . 0 0 "[ . 1 . 2]" 1
163 1 14 LYS H 1 14 LYS QB 3.430 . 3.430 2.220 2.130 2.376 . 0 0 "[ . 1 . 2]" 1
164 1 14 LYS H 1 14 LYS QG 5.530 . 5.530 4.017 3.212 4.152 . 0 0 "[ . 1 . 2]" 1
165 1 14 LYS HA 1 14 LYS QB 2.710 . 2.710 2.382 2.056 2.533 . 0 0 "[ . 1 . 2]" 1
166 1 14 LYS HA 1 14 LYS HG2 4.090 . 4.090 3.268 2.334 4.067 . 0 0 "[ . 1 . 2]" 1
167 1 14 LYS HA 1 14 LYS QG 3.650 . 3.650 2.678 2.270 3.395 . 0 0 "[ . 1 . 2]" 1
168 1 14 LYS HA 1 14 LYS HG3 4.090 . 4.090 2.993 2.406 3.687 . 0 0 "[ . 1 . 2]" 1
169 1 14 LYS HA 1 15 GLU H 2.500 . 2.500 2.128 2.050 2.223 . 0 0 "[ . 1 . 2]" 1
170 1 14 LYS HA 1 24 SER QB 4.240 . 4.240 3.533 2.928 3.899 . 0 0 "[ . 1 . 2]" 1
171 1 14 LYS QB 1 15 GLU H 5.290 . 5.290 3.633 2.664 3.925 . 0 0 "[ . 1 . 2]" 1
172 1 14 LYS QB 1 22 ALA H 4.690 . 4.690 3.023 2.342 4.020 . 0 0 "[ . 1 . 2]" 1
173 1 14 LYS QB 1 22 ALA MB 4.050 . 4.050 2.217 2.042 2.576 . 0 0 "[ . 1 . 2]" 1
174 1 14 LYS QB 1 24 SER H 3.910 . 3.910 3.149 2.710 3.645 . 0 0 "[ . 1 . 2]" 1
175 1 14 LYS QB 1 24 SER HA 4.880 . 4.880 4.292 4.180 4.443 . 0 0 "[ . 1 . 2]" 1
176 1 14 LYS QG 1 15 GLU H 4.130 . 4.130 2.758 2.114 3.492 . 0 0 "[ . 1 . 2]" 1
177 1 14 LYS QG 1 22 ALA H 6.880 . 6.880 4.660 2.205 5.782 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLU H 1 15 GLU QB 3.450 . 3.450 2.548 2.347 2.846 . 0 0 "[ . 1 . 2]" 1
179 1 15 GLU H 1 15 GLU QG 4.180 . 4.180 2.912 2.192 3.464 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLU H 1 16 VAL H 4.560 . 4.560 4.501 4.229 4.617 0.057 20 0 "[ . 1 . 2]" 1
181 1 15 GLU HA 1 16 VAL H 2.500 . 2.500 2.138 2.075 2.203 . 0 0 "[ . 1 . 2]" 1
182 1 16 VAL H 1 16 VAL HB 4.010 . 4.010 3.048 2.559 3.493 . 0 0 "[ . 1 . 2]" 1
183 1 16 VAL H 1 17 THR H 4.510 . 4.510 4.430 4.255 4.618 0.108 5 0 "[ . 1 . 2]" 1
184 1 16 VAL HA 1 17 THR H 2.560 . 2.560 2.257 2.182 2.376 . 0 0 "[ . 1 . 2]" 1
185 1 16 VAL HA 1 17 THR HB 4.950 . 4.950 4.862 4.684 5.012 0.062 2 0 "[ . 1 . 2]" 1
186 1 16 VAL HB 1 20 ARG H 3.690 . 3.690 3.562 3.130 3.773 0.083 16 0 "[ . 1 . 2]" 1
187 1 16 VAL QG 1 17 THR H 6.160 . 6.160 2.440 1.986 2.802 . 0 0 "[ . 1 . 2]" 1
188 1 16 VAL QG 1 21 LYS H 7.560 . 7.560 4.547 3.693 5.069 . 0 0 "[ . 1 . 2]" 1
189 1 17 THR H 1 18 PRO HD2 3.210 . 3.210 2.404 2.164 2.882 . 0 0 "[ . 1 . 2]" 1
190 1 17 THR H 1 18 PRO QD 2.990 . 2.990 2.349 2.141 2.723 . 0 0 "[ . 1 . 2]" 1
191 1 17 THR H 1 18 PRO HD3 3.210 . 3.210 3.391 3.314 3.497 0.287 15 0 "[ . 1 . 2]" 1
192 1 19 PRO HA 1 20 ARG H 3.540 . 3.540 2.369 2.261 2.487 . 0 0 "[ . 1 . 2]" 1
193 1 20 ARG H 1 20 ARG HB2 3.270 . 3.270 2.818 2.399 3.219 . 0 0 "[ . 1 . 2]" 1
194 1 20 ARG H 1 20 ARG QB 3.020 . 3.020 2.563 2.352 2.700 . 0 0 "[ . 1 . 2]" 1
195 1 20 ARG H 1 20 ARG HB3 3.270 . 3.270 3.089 2.664 3.485 0.215 6 0 "[ . 1 . 2]" 1
196 1 20 ARG H 1 20 ARG QG 5.620 . 5.620 4.241 3.808 4.411 . 0 0 "[ . 1 . 2]" 1
197 1 20 ARG H 1 21 LYS H 4.740 . 4.740 4.409 4.058 4.568 . 0 0 "[ . 1 . 2]" 1
198 1 20 ARG HA 1 20 ARG QG 3.860 . 3.860 2.376 2.123 2.631 . 0 0 "[ . 1 . 2]" 1
199 1 20 ARG HA 1 21 LYS H 2.500 . 2.500 2.197 2.125 2.358 . 0 0 "[ . 1 . 2]" 1
200 1 20 ARG HA 1 21 LYS QB 5.680 . 5.680 4.312 4.059 4.500 . 0 0 "[ . 1 . 2]" 1
201 1 20 ARG QG 1 21 LYS HA 5.710 . 5.710 4.887 4.441 5.374 . 0 0 "[ . 1 . 2]" 1
202 1 21 LYS HA 1 21 LYS QB 2.700 . 2.700 2.466 2.401 2.583 . 0 0 "[ . 1 . 2]" 1
203 1 21 LYS HA 1 22 ALA H 2.700 . 2.700 2.108 2.064 2.249 . 0 0 "[ . 1 . 2]" 1
204 1 21 LYS QB 1 22 ALA H 5.210 . 5.210 3.501 3.166 3.834 . 0 0 "[ . 1 . 2]" 1
205 1 21 LYS QB 1 22 ALA HA 5.810 . 5.810 4.518 4.266 4.664 . 0 0 "[ . 1 . 2]" 1
206 1 22 ALA H 1 22 ALA MB 3.490 . 3.490 2.359 2.270 2.501 . 0 0 "[ . 1 . 2]" 1
207 1 22 ALA HA 1 23 PRO QD 3.250 . 3.250 2.136 2.098 2.191 . 0 0 "[ . 1 . 2]" 1
208 1 22 ALA MB 1 24 SER QB 5.330 . 5.330 3.497 3.289 3.694 . 0 0 "[ . 1 . 2]" 1
209 1 23 PRO HA 1 24 SER H 2.600 . 2.600 2.358 2.192 2.534 . 0 0 "[ . 1 . 2]" 1
210 1 24 SER H 1 24 SER QB 3.660 . 3.660 2.406 2.196 2.714 . 0 0 "[ . 1 . 2]" 1
211 1 24 SER H 1 25 LYS H 4.520 . 4.520 4.635 4.546 4.687 0.167 16 0 "[ . 1 . 2]" 1
212 1 24 SER HA 1 25 LYS H 2.600 . 2.600 2.188 2.119 2.437 . 0 0 "[ . 1 . 2]" 1
213 1 24 SER HA 1 25 LYS HA 4.610 . 4.610 4.506 4.401 4.562 . 0 0 "[ . 1 . 2]" 1
214 1 24 SER HA 1 45 GLY HA2 6.000 . 6.000 3.864 3.056 4.423 . 0 0 "[ . 1 . 2]" 1
215 1 24 SER HA 1 45 GLY QA 5.850 . 5.850 3.798 3.023 4.329 . 0 0 "[ . 1 . 2]" 1
216 1 24 SER HA 1 45 GLY HA3 6.000 . 6.000 5.597 4.797 6.152 0.152 6 0 "[ . 1 . 2]" 1
217 1 24 SER QB 1 45 GLY QA 6.450 . 6.450 3.517 2.347 4.249 . 0 0 "[ . 1 . 2]" 1
218 1 25 LYS H 1 25 LYS QB 3.300 . 3.300 2.476 2.351 2.765 . 0 0 "[ . 1 . 2]" 1
219 1 25 LYS H 1 25 LYS QD 3.890 . 3.890 2.769 2.300 3.741 . 0 0 "[ . 1 . 2]" 1
220 1 25 LYS H 1 25 LYS HG2 4.400 . 4.400 3.982 2.296 4.481 0.081 16 0 "[ . 1 . 2]" 1
221 1 25 LYS H 1 25 LYS QG 4.220 . 4.220 3.543 2.276 3.940 . 0 0 "[ . 1 . 2]" 1
222 1 25 LYS H 1 25 LYS HG3 4.400 . 4.400 4.157 3.752 4.369 . 0 0 "[ . 1 . 2]" 1
223 1 25 LYS H 1 26 ALA H 4.800 . 4.800 4.157 3.974 4.440 . 0 0 "[ . 1 . 2]" 1
224 1 25 LYS H 1 45 GLY H 6.000 . 6.000 3.751 3.510 4.060 . 0 0 "[ . 1 . 2]" 1
225 1 25 LYS H 1 45 GLY QA 4.340 . 4.340 3.284 2.891 3.560 . 0 0 "[ . 1 . 2]" 1
226 1 25 LYS H 1 46 ARG HA 6.000 . 6.000 5.563 5.125 6.144 0.144 16 0 "[ . 1 . 2]" 1
227 1 25 LYS QB 1 26 ALA H 5.320 . 5.320 3.739 3.534 3.853 . 0 0 "[ . 1 . 2]" 1
228 1 25 LYS QB 1 27 LYS QD 5.310 . 5.310 3.351 2.920 4.137 . 0 0 "[ . 1 . 2]" 1
229 1 25 LYS QB 1 27 LYS QE 4.610 . 4.610 2.977 2.121 3.290 . 0 0 "[ . 1 . 2]" 1
230 1 25 LYS QB 1 45 GLY QA 6.580 . 6.580 4.137 3.724 5.144 . 0 0 "[ . 1 . 2]" 1
231 1 25 LYS QB 1 47 GLY QA 4.350 . 4.350 2.638 2.304 3.233 . 0 0 "[ . 1 . 2]" 1
232 1 25 LYS HB2 1 26 ALA H 6.000 . 6.000 4.537 3.883 4.649 . 0 0 "[ . 1 . 2]" 1
233 1 25 LYS HB2 1 47 GLY HA2 4.960 . 4.960 3.699 3.205 4.299 . 0 0 "[ . 1 . 2]" 1
234 1 25 LYS HB2 1 47 GLY HA3 4.960 . 4.960 4.207 3.604 4.919 . 0 0 "[ . 1 . 2]" 1
235 1 25 LYS HB3 1 26 ALA H 6.000 . 6.000 3.999 3.711 4.404 . 0 0 "[ . 1 . 2]" 1
236 1 25 LYS HB3 1 47 GLY HA2 4.960 . 4.960 2.936 2.486 4.965 0.005 17 0 "[ . 1 . 2]" 1
237 1 25 LYS HB3 1 47 GLY HA3 4.960 . 4.960 3.616 2.600 5.037 0.077 17 0 "[ . 1 . 2]" 1
238 1 25 LYS QD 1 47 GLY QA 6.460 . 6.460 4.770 3.159 5.242 . 0 0 "[ . 1 . 2]" 1
239 1 25 LYS QG 1 27 LYS QE 6.110 . 6.110 3.420 2.767 4.722 . 0 0 "[ . 1 . 2]" 1
240 1 25 LYS QG 1 48 LYS H 6.880 . 6.880 5.942 4.328 6.251 . 0 0 "[ . 1 . 2]" 1
241 1 26 ALA H 1 26 ALA MB 3.590 . 3.590 2.302 2.212 2.387 . 0 0 "[ . 1 . 2]" 1
242 1 26 ALA H 1 27 LYS H 4.400 . 4.400 4.469 4.437 4.500 0.100 10 0 "[ . 1 . 2]" 1
243 1 26 ALA HA 1 27 LYS H 2.530 . 2.530 2.090 2.038 2.141 . 0 0 "[ . 1 . 2]" 1
244 1 26 ALA HA 1 28 ARG QG 6.340 . 6.340 5.046 4.302 5.476 . 0 0 "[ . 1 . 2]" 1
245 1 26 ALA HA 1 43 TRP H 4.930 . 4.930 4.471 4.109 4.795 . 0 0 "[ . 1 . 2]" 1
246 1 26 ALA HA 1 44 SER HA 2.450 . 2.450 2.143 2.036 2.258 . 0 0 "[ . 1 . 2]" 1
247 1 26 ALA HA 1 44 SER QB 4.640 . 4.640 3.642 3.299 4.253 . 0 0 "[ . 1 . 2]" 1
248 1 26 ALA MB 1 44 SER HA 4.510 . 4.510 2.588 2.142 3.116 . 0 0 "[ . 1 . 2]" 1
249 1 27 LYS H 1 27 LYS QB 3.480 . 3.480 2.734 2.557 2.918 . 0 0 "[ . 1 . 2]" 1
250 1 27 LYS H 1 27 LYS QD 5.710 . 5.710 3.380 3.023 4.601 . 0 0 "[ . 1 . 2]" 1
251 1 27 LYS H 1 27 LYS QG 4.910 . 4.910 4.029 2.669 4.208 . 0 0 "[ . 1 . 2]" 1
252 1 27 LYS H 1 28 ARG H 4.500 . 4.500 4.325 4.191 4.482 . 0 0 "[ . 1 . 2]" 1
253 1 27 LYS H 1 43 TRP H 3.210 . 3.210 3.140 2.933 3.363 0.153 18 0 "[ . 1 . 2]" 1
254 1 27 LYS H 1 44 SER H 6.000 . 6.000 5.026 4.686 5.385 . 0 0 "[ . 1 . 2]" 1
255 1 27 LYS H 1 44 SER HA 3.900 . 3.900 3.779 3.491 4.012 0.112 12 0 "[ . 1 . 2]" 1
256 1 27 LYS HA 1 27 LYS QG 3.410 . 3.410 2.269 2.128 3.129 . 0 0 "[ . 1 . 2]" 1
257 1 27 LYS HA 1 28 ARG H 2.490 . 2.490 2.094 2.040 2.143 . 0 0 "[ . 1 . 2]" 1
258 1 27 LYS QB 1 29 GLU H 5.590 . 5.590 4.653 4.241 4.960 . 0 0 "[ . 1 . 2]" 1
259 1 27 LYS QB 1 29 GLU QG 6.290 . 6.290 3.357 2.354 4.176 . 0 0 "[ . 1 . 2]" 1
260 1 27 LYS QB 1 48 LYS QB 6.590 . 6.590 4.021 3.090 4.940 . 0 0 "[ . 1 . 2]" 1
261 1 27 LYS QB 1 49 ILE HA 5.740 . 5.740 3.656 3.339 3.859 . 0 0 "[ . 1 . 2]" 1
262 1 27 LYS QB 1 49 ILE QG 5.590 . 5.590 3.589 2.867 4.490 . 0 0 "[ . 1 . 2]" 1
263 1 27 LYS QD 1 48 LYS H 4.340 . 4.340 3.652 3.325 3.991 . 0 0 "[ . 1 . 2]" 1
264 1 27 LYS QD 1 49 ILE MD 4.670 . 4.670 2.637 1.876 3.007 0.024 20 0 "[ . 1 . 2]" 1
265 1 27 LYS QD 1 49 ILE QG 4.420 . 4.420 2.706 2.058 3.039 . 0 0 "[ . 1 . 2]" 1
266 1 27 LYS QE 1 48 LYS H 6.880 . 6.880 5.359 4.245 5.791 . 0 0 "[ . 1 . 2]" 1
267 1 27 LYS QG 1 28 ARG H 5.310 . 5.310 3.775 3.419 4.918 . 0 0 "[ . 1 . 2]" 1
268 1 27 LYS QG 1 48 LYS H 6.880 . 6.880 4.981 2.254 5.627 . 0 0 "[ . 1 . 2]" 1
269 1 27 LYS QG 1 49 ILE QG 5.650 . 5.650 2.388 2.050 4.095 . 0 0 "[ . 1 . 2]" 1
270 1 28 ARG H 1 28 ARG HG2 4.310 . 4.310 3.837 3.463 4.218 . 0 0 "[ . 1 . 2]" 1
271 1 28 ARG H 1 28 ARG QG 3.530 . 3.530 2.828 2.537 3.087 . 0 0 "[ . 1 . 2]" 1
272 1 28 ARG H 1 28 ARG HG3 4.310 . 4.310 2.913 2.609 3.177 . 0 0 "[ . 1 . 2]" 1
273 1 28 ARG H 1 29 GLU H 4.200 . 4.200 4.144 3.921 4.265 0.065 17 0 "[ . 1 . 2]" 1
274 1 28 ARG H 1 43 TRP H 6.000 . 6.000 5.156 4.820 5.530 . 0 0 "[ . 1 . 2]" 1
275 1 28 ARG HA 1 29 GLU H 2.420 . 2.420 2.181 2.148 2.249 . 0 0 "[ . 1 . 2]" 1
276 1 28 ARG HA 1 41 ALA H 4.450 . 4.450 4.329 4.062 4.487 0.037 6 0 "[ . 1 . 2]" 1
277 1 28 ARG HA 1 42 THR H 6.000 . 6.000 4.393 4.081 4.775 . 0 0 "[ . 1 . 2]" 1
278 1 28 ARG HA 1 42 THR HA 2.600 . 2.600 2.375 2.129 2.663 0.063 17 0 "[ . 1 . 2]" 1
279 1 28 ARG HA 1 43 TRP H 4.090 . 4.090 3.649 3.338 3.859 . 0 0 "[ . 1 . 2]" 1
280 1 28 ARG QB 1 42 THR HB 4.410 . 4.410 3.223 2.652 3.915 . 0 0 "[ . 1 . 2]" 1
281 1 28 ARG QB 1 43 TRP H 5.870 . 5.870 5.161 4.851 5.342 . 0 0 "[ . 1 . 2]" 1
282 1 28 ARG QD 1 42 THR HA 5.360 . 5.360 4.378 4.149 4.783 . 0 0 "[ . 1 . 2]" 1
283 1 28 ARG QG 1 42 THR HB 3.370 . 3.370 2.323 2.111 2.500 . 0 0 "[ . 1 . 2]" 1
284 1 29 GLU H 1 29 GLU QG 5.480 . 5.480 3.750 3.346 4.075 . 0 0 "[ . 1 . 2]" 1
285 1 29 GLU H 1 30 ALA H 4.590 . 4.590 4.253 3.991 4.394 . 0 0 "[ . 1 . 2]" 1
286 1 29 GLU H 1 40 GLY QA 4.480 . 4.480 3.790 3.654 3.937 . 0 0 "[ . 1 . 2]" 1
287 1 29 GLU H 1 41 ALA H 3.360 . 3.360 2.934 2.715 3.212 . 0 0 "[ . 1 . 2]" 1
288 1 29 GLU H 1 43 TRP H 5.360 . 5.360 4.965 4.519 5.356 . 0 0 "[ . 1 . 2]" 1
289 1 29 GLU HA 1 30 ALA H 2.550 . 2.550 2.126 2.085 2.170 . 0 0 "[ . 1 . 2]" 1
290 1 29 GLU HA 1 41 ALA H 6.000 . 6.000 4.834 4.489 5.307 . 0 0 "[ . 1 . 2]" 1
291 1 29 GLU QB 1 50 PRO QD 4.680 . 4.680 2.605 2.339 2.896 . 0 0 "[ . 1 . 2]" 1
292 1 29 GLU QG 1 49 ILE HA 5.640 . 5.640 4.244 3.667 4.643 . 0 0 "[ . 1 . 2]" 1
293 1 30 ALA H 1 30 ALA MB 3.030 . 3.030 2.260 2.191 2.340 . 0 0 "[ . 1 . 2]" 1
294 1 30 ALA HA 1 31 PRO QD 3.250 . 3.250 2.176 2.144 2.197 . 0 0 "[ . 1 . 2]" 1
295 1 30 ALA HA 1 31 PRO QG 5.300 . 5.300 4.139 4.101 4.173 . 0 0 "[ . 1 . 2]" 1
296 1 30 ALA HA 1 39 SER H 6.030 . 6.030 5.699 5.448 6.020 . 0 0 "[ . 1 . 2]" 1
297 1 30 ALA HA 1 39 SER HA 3.680 . 3.680 3.256 2.987 3.578 . 0 0 "[ . 1 . 2]" 1
298 1 30 ALA HA 1 39 SER HB2 4.650 . 4.650 3.474 2.846 4.615 . 0 0 "[ . 1 . 2]" 1
299 1 30 ALA HA 1 39 SER QB 3.850 . 3.850 3.121 2.814 3.410 . 0 0 "[ . 1 . 2]" 1
300 1 30 ALA HA 1 39 SER HB3 4.650 . 4.650 4.261 3.123 4.718 0.068 2 0 "[ . 1 . 2]" 1
301 1 30 ALA HA 1 40 GLY H 2.520 . 2.520 2.636 2.555 2.693 0.173 13 0 "[ . 1 . 2]" 1
302 1 30 ALA HA 1 40 GLY QA 3.480 . 3.480 2.490 2.379 2.694 . 0 0 "[ . 1 . 2]" 1
303 1 30 ALA HA 1 41 ALA H 4.020 . 4.020 3.409 3.111 3.710 . 0 0 "[ . 1 . 2]" 1
304 1 30 ALA MB 1 39 SER HA 5.140 . 5.140 3.648 3.369 3.917 . 0 0 "[ . 1 . 2]" 1
305 1 30 ALA MB 1 39 SER QB 3.600 . 3.600 2.162 2.025 2.431 . 0 0 "[ . 1 . 2]" 1
306 1 30 ALA MB 1 40 GLY HA2 4.450 . 4.450 2.623 2.354 2.875 . 0 0 "[ . 1 . 2]" 1
307 1 30 ALA MB 1 40 GLY QA 4.050 . 4.050 2.494 2.272 2.723 . 0 0 "[ . 1 . 2]" 1
308 1 30 ALA MB 1 40 GLY HA3 4.450 . 4.450 3.141 2.830 3.400 . 0 0 "[ . 1 . 2]" 1
309 1 31 PRO HA 1 32 ILE HA 4.520 . 4.520 4.565 4.471 4.650 0.130 17 0 "[ . 1 . 2]" 1
310 1 31 PRO HA 1 53 PHE HE2 4.470 . 4.470 4.676 4.586 4.738 0.268 12 0 "[ . 1 . 2]" 1
311 1 31 PRO QB 1 32 ILE HA 5.480 . 5.480 4.576 4.493 4.634 . 0 0 "[ . 1 . 2]" 1
312 1 31 PRO QB 1 32 ILE MG 5.730 . 5.730 3.535 3.428 3.690 . 0 0 "[ . 1 . 2]" 1
313 1 31 PRO QB 1 50 PRO QB 5.360 . 5.360 2.745 2.392 3.242 . 0 0 "[ . 1 . 2]" 1
314 1 31 PRO QB 1 53 PHE HD2 3.640 . 3.640 2.622 2.457 2.871 . 0 0 "[ . 1 . 2]" 1
315 1 31 PRO QB 1 53 PHE HE2 3.420 . 3.420 2.119 2.075 2.159 . 0 0 "[ . 1 . 2]" 1
316 1 31 PRO HB2 1 32 ILE MG 6.000 . 6.000 3.640 3.514 3.816 . 0 0 "[ . 1 . 2]" 1
317 1 31 PRO HB2 1 53 PHE HD2 3.790 . 3.790 2.845 2.618 3.187 . 0 0 "[ . 1 . 2]" 1
318 1 31 PRO HB3 1 32 ILE MG 6.000 . 6.000 4.798 4.676 4.899 . 0 0 "[ . 1 . 2]" 1
319 1 31 PRO HB3 1 53 PHE HD2 3.790 . 3.790 3.084 2.913 3.261 . 0 0 "[ . 1 . 2]" 1
320 1 31 PRO QD 1 39 SER HA 3.180 . 3.180 2.359 2.268 2.440 . 0 0 "[ . 1 . 2]" 1
321 1 31 PRO QD 1 40 GLY QA 5.750 . 5.750 3.752 3.592 3.887 . 0 0 "[ . 1 . 2]" 1
322 1 31 PRO QD 1 41 ALA H 5.080 . 5.080 3.562 3.241 3.919 . 0 0 "[ . 1 . 2]" 1
323 1 31 PRO QG 1 36 LEU QB 5.490 . 5.490 3.505 3.116 4.476 . 0 0 "[ . 1 . 2]" 1
324 1 31 PRO QG 1 39 SER HA 4.480 . 4.480 3.651 3.394 3.913 . 0 0 "[ . 1 . 2]" 1
325 1 31 PRO QG 1 39 SER QB 7.750 . 7.750 4.004 3.634 4.457 . 0 0 "[ . 1 . 2]" 1
326 1 31 PRO QG 1 40 GLY H 4.880 . 4.880 4.365 4.076 4.509 . 0 0 "[ . 1 . 2]" 1
327 1 31 PRO QG 1 53 PHE HE2 4.000 . 4.000 3.357 2.973 3.617 . 0 0 "[ . 1 . 2]" 1
328 1 31 PRO HG2 1 32 ILE H 3.930 . 3.930 2.128 1.973 2.387 . 0 0 "[ . 1 . 2]" 1
329 1 31 PRO HG2 1 36 LEU HB2 7.070 . 7.070 3.801 3.272 5.417 . 0 0 "[ . 1 . 2]" 1
330 1 31 PRO HG2 1 36 LEU HB3 7.070 . 7.070 4.862 4.400 5.313 . 0 0 "[ . 1 . 2]" 1
331 1 31 PRO HG3 1 32 ILE H 3.930 . 3.930 3.578 3.492 3.696 . 0 0 "[ . 1 . 2]" 1
332 1 31 PRO HG3 1 36 LEU HB2 7.070 . 7.070 4.994 4.490 6.235 . 0 0 "[ . 1 . 2]" 1
333 1 31 PRO HG3 1 36 LEU HB3 7.070 . 7.070 5.684 5.312 5.992 . 0 0 "[ . 1 . 2]" 1
334 1 32 ILE H 1 32 ILE HB 4.100 . 4.100 3.876 3.777 3.964 . 0 0 "[ . 1 . 2]" 1
335 1 32 ILE H 1 32 ILE MD 5.150 . 5.150 4.048 3.881 4.264 . 0 0 "[ . 1 . 2]" 1
336 1 32 ILE H 1 32 ILE HG12 2.970 . 2.970 2.410 2.154 2.754 . 0 0 "[ . 1 . 2]" 1
337 1 32 ILE H 1 32 ILE MG 4.240 . 4.240 3.225 2.937 3.404 . 0 0 "[ . 1 . 2]" 1
338 1 32 ILE H 1 33 LYS H 4.440 . 4.440 4.479 4.407 4.563 0.123 8 0 "[ . 1 . 2]" 1
339 1 32 ILE H 1 39 SER QB 5.930 . 5.930 4.102 3.498 4.438 . 0 0 "[ . 1 . 2]" 1
340 1 32 ILE H 1 53 PHE HE2 3.450 . 3.450 3.145 2.613 3.478 0.028 19 0 "[ . 1 . 2]" 1
341 1 32 ILE HA 1 32 ILE HB 2.600 . 2.600 2.528 2.480 2.579 . 0 0 "[ . 1 . 2]" 1
342 1 32 ILE HA 1 32 ILE HG12 3.940 . 3.940 3.828 3.772 3.883 . 0 0 "[ . 1 . 2]" 1
343 1 32 ILE HA 1 32 ILE MG 3.080 . 3.080 2.168 2.134 2.207 . 0 0 "[ . 1 . 2]" 1
344 1 32 ILE HA 1 33 LYS H 2.440 . 2.440 2.106 2.069 2.180 . 0 0 "[ . 1 . 2]" 1
345 1 32 ILE HA 1 34 TYR QB 6.580 . 6.580 4.933 4.665 5.161 . 0 0 "[ . 1 . 2]" 1
346 1 32 ILE HA 1 39 SER QB 4.590 . 4.590 3.952 3.710 4.155 . 0 0 "[ . 1 . 2]" 1
347 1 32 ILE HA 1 65 TRP HH2 3.910 . 3.910 3.774 3.454 3.964 0.054 9 0 "[ . 1 . 2]" 1
348 1 32 ILE HA 1 65 TRP HZ2 2.890 . 2.890 2.873 2.698 2.960 0.070 15 0 "[ . 1 . 2]" 1
349 1 32 ILE HA 1 73 LYS HA 6.000 . 6.000 4.353 4.059 4.602 . 0 0 "[ . 1 . 2]" 1
350 1 32 ILE HA 1 73 LYS QG 4.100 . 4.100 3.674 3.323 4.022 . 0 0 "[ . 1 . 2]" 1
351 1 32 ILE HB 1 32 ILE MD 3.040 . 3.040 2.484 2.421 2.543 . 0 0 "[ . 1 . 2]" 1
352 1 32 ILE HB 1 32 ILE HG13 2.630 . 2.630 2.529 2.413 2.631 0.001 16 0 "[ . 1 . 2]" 1
353 1 32 ILE HB 1 34 TYR H 2.500 . 2.500 2.566 2.388 2.754 0.254 18 0 "[ . 1 . 2]" 1
354 1 32 ILE HB 1 34 TYR QB 4.220 . 4.220 2.983 2.685 3.357 . 0 0 "[ . 1 . 2]" 1
355 1 32 ILE HB 1 65 TRP HE1 6.000 . 6.000 2.314 2.129 2.518 . 0 0 "[ . 1 . 2]" 1
356 1 32 ILE HB 1 65 TRP HH2 6.000 . 6.000 4.577 4.313 4.858 . 0 0 "[ . 1 . 2]" 1
357 1 32 ILE HB 1 65 TRP HZ2 2.570 . 2.570 2.342 2.155 2.571 0.001 18 0 "[ . 1 . 2]" 1
358 1 32 ILE HB 1 73 LYS QB 6.880 . 6.880 4.410 4.203 4.649 . 0 0 "[ . 1 . 2]" 1
359 1 32 ILE MD 1 32 ILE MG 3.540 . 3.540 2.143 2.075 2.229 . 0 0 "[ . 1 . 2]" 1
360 1 32 ILE MD 1 35 TRP QB 4.490 . 4.490 2.083 1.995 2.260 . 0 0 "[ . 1 . 2]" 1
361 1 32 ILE MD 1 57 ILE HB 4.250 . 4.250 3.724 3.595 3.828 . 0 0 "[ . 1 . 2]" 1
362 1 32 ILE MD 1 57 ILE MD 5.200 . 5.200 2.393 2.210 2.602 . 0 0 "[ . 1 . 2]" 1
363 1 32 ILE MD 1 57 ILE MG 3.310 . 3.310 1.876 1.808 1.929 0.092 11 0 "[ . 1 . 2]" 1
364 1 32 ILE HG12 1 36 LEU HG 5.050 . 5.050 4.837 4.212 5.219 0.169 8 0 "[ . 1 . 2]" 1
365 1 32 ILE HG12 1 53 PHE HE2 3.270 . 3.270 2.202 2.106 2.330 . 0 0 "[ . 1 . 2]" 1
366 1 32 ILE HG12 1 57 ILE MG 3.610 . 3.610 3.111 2.711 3.522 . 0 0 "[ . 1 . 2]" 1
367 1 32 ILE HG13 1 36 LEU H 3.510 . 3.510 3.102 2.909 3.317 . 0 0 "[ . 1 . 2]" 1
368 1 32 ILE HG13 1 36 LEU QB 6.180 . 6.180 4.517 3.841 5.476 . 0 0 "[ . 1 . 2]" 1
369 1 32 ILE HG13 1 36 LEU HG 4.300 . 4.300 4.023 3.598 4.322 0.022 1 0 "[ . 1 . 2]" 1
370 1 32 ILE HG13 1 53 PHE HE2 4.260 . 4.260 3.461 3.024 3.788 . 0 0 "[ . 1 . 2]" 1
371 1 32 ILE MG 1 57 ILE MG 3.660 . 3.660 1.959 1.901 2.083 . 0 0 "[ . 1 . 2]" 1
372 1 32 ILE MG 1 65 TRP HE1 2.790 . 2.790 2.575 2.259 2.696 . 0 0 "[ . 1 . 2]" 1
373 1 32 ILE MG 1 65 TRP HZ2 . . 3.270 2.945 2.807 3.118 . 0 0 "[ . 1 . 2]" 1
374 1 32 ILE MG 1 73 LYS QE 5.180 . 5.180 3.527 2.570 3.944 . 0 0 "[ . 1 . 2]" 1
375 1 32 ILE MG 1 73 LYS QG 3.430 . 3.430 1.988 1.870 2.074 0.030 1 0 "[ . 1 . 2]" 1
376 1 33 LYS H 1 33 LYS QD 5.780 . 5.780 4.391 3.417 4.791 . 0 0 "[ . 1 . 2]" 1
377 1 33 LYS H 1 34 TYR H 2.400 . 2.400 2.601 2.538 2.687 0.287 4 0 "[ . 1 . 2]" 1
378 1 33 LYS H 1 39 SER HA 6.000 . 6.000 5.911 5.558 6.107 0.107 20 0 "[ . 1 . 2]" 1
379 1 33 LYS H 1 65 TRP HE1 6.000 . 6.000 4.720 4.399 4.938 . 0 0 "[ . 1 . 2]" 1
380 1 33 LYS H 1 69 HIS HE1 6.000 . 6.000 5.832 5.282 6.166 0.166 1 0 "[ . 1 . 2]" 1
381 1 33 LYS H 1 73 LYS QB 5.420 . 5.420 4.495 4.306 4.614 . 0 0 "[ . 1 . 2]" 1
382 1 33 LYS HA 1 33 LYS QD 4.250 . 4.250 2.267 2.100 2.449 . 0 0 "[ . 1 . 2]" 1
383 1 33 LYS HA 1 33 LYS QE 5.730 . 5.730 3.657 2.457 4.371 . 0 0 "[ . 1 . 2]" 1
384 1 33 LYS HA 1 36 LEU H 3.400 . 3.400 3.484 3.415 3.523 0.123 1 0 "[ . 1 . 2]" 1
385 1 33 LYS HA 1 36 LEU QB 5.650 . 5.650 4.133 3.728 5.173 . 0 0 "[ . 1 . 2]" 1
386 1 33 LYS HA 1 39 SER QB 5.380 . 5.380 3.680 3.146 4.589 . 0 0 "[ . 1 . 2]" 1
387 1 33 LYS QB 1 39 SER QB 5.750 . 5.750 3.508 2.825 4.838 . 0 0 "[ . 1 . 2]" 1
388 1 33 LYS QB 1 69 HIS HE1 4.520 . 4.520 3.381 2.727 3.794 . 0 0 "[ . 1 . 2]" 1
389 1 33 LYS QD 1 37 PRO HA 4.860 . 4.860 2.596 2.283 3.133 . 0 0 "[ . 1 . 2]" 1
390 1 33 LYS QD 1 38 HIS H 4.680 . 4.680 4.051 3.822 4.220 . 0 0 "[ . 1 . 2]" 1
391 1 33 LYS QD 1 38 HIS HA 4.550 . 4.550 3.597 3.133 4.003 . 0 0 "[ . 1 . 2]" 1
392 1 33 LYS QD 1 38 HIS HD2 6.990 . 6.990 6.238 5.821 6.469 . 0 0 "[ . 1 . 2]" 1
393 1 33 LYS QE 1 38 HIS HA 3.410 . 3.410 2.764 2.437 3.080 . 0 0 "[ . 1 . 2]" 1
394 1 33 LYS QE 1 38 HIS QB 6.260 . 6.260 4.651 4.383 4.872 . 0 0 "[ . 1 . 2]" 1
395 1 33 LYS QE 1 39 SER H 4.420 . 4.420 2.324 1.935 2.802 . 0 0 "[ . 1 . 2]" 1
396 1 33 LYS QE 1 39 SER QB 5.970 . 5.970 3.463 2.166 4.552 . 0 0 "[ . 1 . 2]" 1
397 1 33 LYS HE2 1 38 HIS HB2 7.550 . 7.550 5.935 4.946 6.658 . 0 0 "[ . 1 . 2]" 1
398 1 33 LYS HE2 1 38 HIS HB3 7.550 . 7.550 6.548 5.325 7.461 . 0 0 "[ . 1 . 2]" 1
399 1 33 LYS HE3 1 38 HIS HB2 7.550 . 7.550 5.874 4.850 6.853 . 0 0 "[ . 1 . 2]" 1
400 1 33 LYS HE3 1 38 HIS HB3 7.550 . 7.550 6.398 5.567 7.486 . 0 0 "[ . 1 . 2]" 1
401 1 33 LYS QG 1 34 TYR H 5.080 . 5.080 4.296 3.998 4.639 . 0 0 "[ . 1 . 2]" 1
402 1 33 LYS QG 1 69 HIS HE1 6.880 . 6.880 2.963 2.435 4.068 . 0 0 "[ . 1 . 2]" 1
403 1 34 TYR H 1 35 TRP H 2.690 . 2.690 2.681 2.524 2.751 0.061 14 0 "[ . 1 . 2]" 1
404 1 34 TYR HA 1 65 TRP HZ2 5.380 . 5.380 4.795 4.519 5.087 . 0 0 "[ . 1 . 2]" 1
405 1 34 TYR QB 1 36 LEU H 5.880 . 5.880 4.931 4.779 5.092 . 0 0 "[ . 1 . 2]" 1
406 1 34 TYR QB 1 68 LYS QB 7.560 . 7.560 4.076 3.403 4.679 . 0 0 "[ . 1 . 2]" 1
407 1 34 TYR HD1 1 69 HIS QB 6.880 . 6.880 5.695 5.322 6.106 . 0 0 "[ . 1 . 2]" 1
408 1 34 TYR HE1 1 68 LYS QD 4.760 . 4.760 3.135 2.689 4.424 . 0 0 "[ . 1 . 2]" 1
409 1 35 TRP HA 1 36 LEU HA 4.700 . 4.700 4.664 4.601 4.694 . 0 0 "[ . 1 . 2]" 1
410 1 35 TRP QB 1 36 LEU H 3.580 . 3.580 2.666 2.556 2.881 . 0 0 "[ . 1 . 2]" 1
411 1 36 LEU H 1 36 LEU QB 3.330 . 3.330 2.697 2.502 3.246 . 0 0 "[ . 1 . 2]" 1
412 1 36 LEU H 1 36 LEU MD1 4.900 . 4.900 4.058 3.859 4.227 . 0 0 "[ . 1 . 2]" 1
413 1 36 LEU H 1 36 LEU QD 4.490 . 4.490 3.360 2.370 3.581 . 0 0 "[ . 1 . 2]" 1
414 1 36 LEU H 1 36 LEU MD2 4.900 . 4.900 3.682 2.382 4.106 . 0 0 "[ . 1 . 2]" 1
415 1 36 LEU H 1 36 LEU HG 3.150 . 3.150 2.911 2.447 3.053 . 0 0 "[ . 1 . 2]" 1
416 1 36 LEU HA 1 36 LEU MD2 3.280 . 3.280 2.424 2.204 3.493 0.213 14 0 "[ . 1 . 2]" 1
417 1 36 LEU HA 1 36 LEU HG 3.810 . 3.810 3.295 3.026 3.794 . 0 0 "[ . 1 . 2]" 1
418 1 36 LEU HA 1 37 PRO HA 4.530 . 4.530 4.580 4.535 4.605 0.075 17 0 "[ . 1 . 2]" 1
419 1 36 LEU HA 1 38 HIS H 4.080 . 4.080 4.125 3.994 4.234 0.154 14 0 "[ . 1 . 2]" 1
420 1 36 LEU QB 1 38 HIS H 3.880 . 3.880 2.928 2.642 3.208 . 0 0 "[ . 1 . 2]" 1
421 1 36 LEU QD 1 53 PHE HE2 5.770 . 5.770 3.844 2.934 4.178 . 0 0 "[ . 1 . 2]" 1
422 1 37 PRO QB 1 38 HIS QB 5.640 . 5.640 4.050 3.847 4.222 . 0 0 "[ . 1 . 2]" 1
423 1 38 HIS H 1 38 HIS HB2 2.930 . 2.930 3.014 2.952 3.090 0.160 13 0 "[ . 1 . 2]" 1
424 1 38 HIS H 1 38 HIS QB 2.600 . 2.600 2.544 2.482 2.591 . 0 0 "[ . 1 . 2]" 1
425 1 38 HIS H 1 38 HIS HB3 2.930 . 2.930 2.744 2.638 2.819 . 0 0 "[ . 1 . 2]" 1
426 1 38 HIS H 1 39 SER H 4.780 . 4.780 4.047 3.762 4.232 . 0 0 "[ . 1 . 2]" 1
427 1 38 HIS HA 1 38 HIS HD2 3.510 . 3.510 3.404 3.102 3.708 0.198 19 0 "[ . 1 . 2]" 1
428 1 38 HIS HA 1 39 SER H 2.580 . 2.580 2.222 2.146 2.325 . 0 0 "[ . 1 . 2]" 1
429 1 38 HIS QB 1 39 SER H 5.520 . 5.520 4.051 3.979 4.117 . 0 0 "[ . 1 . 2]" 1
430 1 38 HIS QB 1 40 GLY H 6.880 . 6.880 4.872 4.530 5.109 . 0 0 "[ . 1 . 2]" 1
431 1 39 SER H 1 39 SER HB2 3.780 . 3.780 3.507 2.695 3.811 0.031 1 0 "[ . 1 . 2]" 1
432 1 39 SER H 1 39 SER QB 3.200 . 3.200 2.748 2.595 2.958 . 0 0 "[ . 1 . 2]" 1
433 1 39 SER H 1 39 SER HB3 3.780 . 3.780 3.075 2.650 3.803 0.023 15 0 "[ . 1 . 2]" 1
434 1 39 SER H 1 40 GLY H 4.840 . 4.840 4.274 4.040 4.434 . 0 0 "[ . 1 . 2]" 1
435 1 39 SER HA 1 39 SER QB 2.710 . 2.710 2.199 2.131 2.353 . 0 0 "[ . 1 . 2]" 1
436 1 39 SER HA 1 40 GLY H 2.880 . 2.880 2.152 2.091 2.218 . 0 0 "[ . 1 . 2]" 1
437 1 40 GLY H 1 40 GLY QA 2.600 . 2.600 2.535 2.484 2.564 . 0 0 "[ . 1 . 2]" 1
438 1 40 GLY H 1 41 ALA H 3.350 . 3.350 2.881 2.707 3.039 . 0 0 "[ . 1 . 2]" 1
439 1 40 GLY QA 1 41 ALA H 3.060 . 3.060 2.269 2.196 2.346 . 0 0 "[ . 1 . 2]" 1
440 1 41 ALA H 1 41 ALA MB 3.210 . 3.210 2.453 2.316 2.584 . 0 0 "[ . 1 . 2]" 1
441 1 41 ALA H 1 42 THR H 4.570 . 4.570 4.421 4.246 4.568 . 0 0 "[ . 1 . 2]" 1
442 1 41 ALA HA 1 42 THR H 2.500 . 2.500 2.126 2.088 2.152 . 0 0 "[ . 1 . 2]" 1
443 1 41 ALA MB 1 42 THR H 4.670 . 4.670 3.256 3.014 3.503 . 0 0 "[ . 1 . 2]" 1
444 1 41 ALA MB 1 43 TRP QB 6.280 . 6.280 4.072 3.612 4.346 . 0 0 "[ . 1 . 2]" 1
445 1 42 THR H 1 42 THR HB 2.920 . 2.920 2.899 2.785 3.008 0.088 2 0 "[ . 1 . 2]" 1
446 1 42 THR H 1 42 THR MG 3.010 . 3.010 2.231 2.137 2.291 . 0 0 "[ . 1 . 2]" 1
447 1 42 THR H 1 43 TRP H 4.670 . 4.670 4.399 4.133 4.531 . 0 0 "[ . 1 . 2]" 1
448 1 42 THR HA 1 42 THR HB 3.000 . 3.000 2.370 2.306 2.422 . 0 0 "[ . 1 . 2]" 1
449 1 42 THR HA 1 43 TRP H 2.520 . 2.520 2.143 2.096 2.202 . 0 0 "[ . 1 . 2]" 1
450 1 42 THR HB 1 43 TRP H 4.400 . 4.400 4.341 4.237 4.458 0.058 18 0 "[ . 1 . 2]" 1
451 1 43 TRP H 1 43 TRP QB 3.510 . 3.510 2.583 2.436 2.732 . 0 0 "[ . 1 . 2]" 1
452 1 43 TRP H 1 44 SER H 4.470 . 4.470 4.104 3.900 4.243 . 0 0 "[ . 1 . 2]" 1
453 1 43 TRP H 1 48 LYS QG 6.880 . 6.880 4.721 3.781 5.788 . 0 0 "[ . 1 . 2]" 1
454 1 43 TRP HA 1 48 LYS QE 5.780 . 5.780 4.720 4.302 5.058 . 0 0 "[ . 1 . 2]" 1
455 1 43 TRP QB 1 48 LYS QB 4.620 . 4.620 2.957 2.149 3.794 . 0 0 "[ . 1 . 2]" 1
456 1 43 TRP QB 1 48 LYS QG 4.290 . 4.290 2.630 2.000 3.435 . 0 0 "[ . 1 . 2]" 1
457 1 43 TRP HB2 1 48 LYS HB2 6.260 . 6.260 4.786 3.910 5.512 . 0 0 "[ . 1 . 2]" 1
458 1 43 TRP HB2 1 48 LYS HB3 6.260 . 6.260 4.056 3.026 4.932 . 0 0 "[ . 1 . 2]" 1
459 1 43 TRP HB3 1 48 LYS HB2 6.260 . 6.260 4.255 3.128 5.036 . 0 0 "[ . 1 . 2]" 1
460 1 43 TRP HB3 1 48 LYS HB3 6.260 . 6.260 3.203 2.228 4.298 . 0 0 "[ . 1 . 2]" 1
461 1 43 TRP HE1 1 46 ARG HA 4.780 . 4.780 4.811 4.761 4.858 0.078 16 0 "[ . 1 . 2]" 1
462 1 43 TRP HE1 1 46 ARG QB 3.960 . 3.960 2.448 2.278 2.673 . 0 0 "[ . 1 . 2]" 1
463 1 43 TRP HE1 1 48 LYS H 6.000 . 6.000 6.101 5.939 6.177 0.177 13 0 "[ . 1 . 2]" 1
464 1 43 TRP HE3 1 48 LYS QB 4.450 . 4.450 3.154 2.671 3.555 . 0 0 "[ . 1 . 2]" 1
465 1 43 TRP HE3 1 48 LYS QD 4.000 . 4.000 3.446 2.901 3.858 . 0 0 "[ . 1 . 2]" 1
466 1 43 TRP HH2 1 46 ARG QB 6.880 . 6.880 4.508 4.230 4.729 . 0 0 "[ . 1 . 2]" 1
467 1 43 TRP HH2 1 46 ARG QD 6.880 . 6.880 3.700 3.286 5.129 . 0 0 "[ . 1 . 2]" 1
468 1 43 TRP HH2 1 46 ARG QG 5.530 . 5.530 4.800 4.678 4.918 . 0 0 "[ . 1 . 2]" 1
469 1 43 TRP HH2 1 48 LYS QB 6.880 . 6.880 4.793 4.421 5.301 . 0 0 "[ . 1 . 2]" 1
470 1 43 TRP HZ2 1 46 ARG QB 3.910 . 3.910 2.922 2.695 3.137 . 0 0 "[ . 1 . 2]" 1
471 1 43 TRP HZ2 1 46 ARG QG 5.120 . 5.120 3.802 3.536 4.143 . 0 0 "[ . 1 . 2]" 1
472 1 44 SER HA 1 44 SER QB 2.720 . 2.720 2.267 2.131 2.427 . 0 0 "[ . 1 . 2]" 1
473 1 44 SER HA 1 45 GLY H 2.700 . 2.700 2.216 2.141 2.319 . 0 0 "[ . 1 . 2]" 1
474 1 44 SER HA 1 45 GLY QA 5.480 . 5.480 4.012 3.977 4.038 . 0 0 "[ . 1 . 2]" 1
475 1 45 GLY QA 1 46 ARG QB 6.140 . 6.140 3.948 3.706 4.082 . 0 0 "[ . 1 . 2]" 1
476 1 46 ARG HA 1 46 ARG QD 4.330 . 4.330 3.705 3.498 3.837 . 0 0 "[ . 1 . 2]" 1
477 1 46 ARG HA 1 46 ARG QG 3.400 . 3.400 2.576 2.421 2.762 . 0 0 "[ . 1 . 2]" 1
478 1 46 ARG HA 1 47 GLY H 2.730 . 2.730 2.162 2.099 2.284 . 0 0 "[ . 1 . 2]" 1
479 1 46 ARG QB 1 46 ARG QD 3.600 . 3.600 2.280 2.184 2.532 . 0 0 "[ . 1 . 2]" 1
480 1 46 ARG QB 1 48 LYS QB 6.080 . 6.080 4.169 3.544 4.474 . 0 0 "[ . 1 . 2]" 1
481 1 46 ARG QB 1 48 LYS QG 7.750 . 7.750 5.188 4.399 5.945 . 0 0 "[ . 1 . 2]" 1
482 1 46 ARG HB2 1 47 GLY H 4.260 . 4.260 4.088 3.935 4.176 . 0 0 "[ . 1 . 2]" 1
483 1 46 ARG HB3 1 47 GLY H 4.260 . 4.260 4.134 3.940 4.218 . 0 0 "[ . 1 . 2]" 1
484 1 46 ARG QD 1 47 GLY QA 6.020 . 6.020 3.708 3.288 3.912 . 0 0 "[ . 1 . 2]" 1
485 1 46 ARG QD 1 48 LYS H 4.120 . 4.120 2.992 2.720 3.502 . 0 0 "[ . 1 . 2]" 1
486 1 46 ARG QD 1 48 LYS HA 3.900 . 3.900 3.308 2.883 3.604 . 0 0 "[ . 1 . 2]" 1
487 1 46 ARG QD 1 48 LYS QB 4.340 . 4.340 2.607 2.311 3.064 . 0 0 "[ . 1 . 2]" 1
488 1 46 ARG QG 1 47 GLY H 3.360 . 3.360 2.646 2.370 2.782 . 0 0 "[ . 1 . 2]" 1
489 1 47 GLY H 1 47 GLY QA 2.600 . 2.600 2.329 2.298 2.361 . 0 0 "[ . 1 . 2]" 1
490 1 47 GLY H 1 48 LYS H 4.290 . 4.290 3.925 3.769 4.146 . 0 0 "[ . 1 . 2]" 1
491 1 47 GLY QA 1 49 ILE MD 4.630 . 4.630 3.071 2.760 3.524 . 0 0 "[ . 1 . 2]" 1
492 1 48 LYS H 1 48 LYS QD 5.090 . 5.090 4.215 3.711 4.782 . 0 0 "[ . 1 . 2]" 1
493 1 48 LYS H 1 49 ILE H 4.550 . 4.550 4.403 4.117 4.585 0.035 5 0 "[ . 1 . 2]" 1
494 1 48 LYS HA 1 49 ILE H 2.500 . 2.500 2.204 2.150 2.262 . 0 0 "[ . 1 . 2]" 1
495 1 48 LYS HA 1 50 PRO QD 6.260 . 6.260 4.833 4.212 5.217 . 0 0 "[ . 1 . 2]" 1
496 1 48 LYS QB 1 49 ILE H 4.630 . 4.630 3.787 3.378 4.083 . 0 0 "[ . 1 . 2]" 1
497 1 48 LYS HB2 1 49 ILE H 4.790 . 4.790 4.081 3.525 4.564 . 0 0 "[ . 1 . 2]" 1
498 1 48 LYS HB3 1 49 ILE H 4.790 . 4.790 4.543 4.329 4.694 . 0 0 "[ . 1 . 2]" 1
499 1 48 LYS QD 1 49 ILE H 5.770 . 5.770 4.226 3.782 4.677 . 0 0 "[ . 1 . 2]" 1
500 1 48 LYS QD 1 50 PRO QD 4.170 . 4.170 2.355 2.169 2.606 . 0 0 "[ . 1 . 2]" 1
501 1 48 LYS QG 1 49 ILE H 6.880 . 6.880 4.223 3.392 4.748 . 0 0 "[ . 1 . 2]" 1
502 1 48 LYS QG 1 49 ILE HA 5.720 . 5.720 4.655 4.122 4.968 . 0 0 "[ . 1 . 2]" 1
503 1 49 ILE H 1 49 ILE HB 2.790 . 2.790 2.880 2.676 2.958 0.168 8 0 "[ . 1 . 2]" 1
504 1 49 ILE H 1 49 ILE MD 4.580 . 4.580 2.552 2.198 3.876 . 0 0 "[ . 1 . 2]" 1
505 1 49 ILE H 1 49 ILE HG12 6.000 . 6.000 4.441 2.807 4.714 . 0 0 "[ . 1 . 2]" 1
506 1 49 ILE H 1 49 ILE QG 5.410 . 5.410 3.555 2.761 3.701 . 0 0 "[ . 1 . 2]" 1
507 1 49 ILE H 1 49 ILE HG13 6.000 . 6.000 3.792 3.483 4.087 . 0 0 "[ . 1 . 2]" 1
508 1 49 ILE HA 1 49 ILE MD 4.270 . 4.270 3.496 2.374 3.612 . 0 0 "[ . 1 . 2]" 1
509 1 49 ILE HA 1 49 ILE QG 3.470 . 3.470 2.608 2.508 3.076 . 0 0 "[ . 1 . 2]" 1
510 1 49 ILE HA 1 49 ILE MG 3.200 . 3.200 2.364 2.319 2.520 . 0 0 "[ . 1 . 2]" 1
511 1 49 ILE HA 1 50 PRO QD 3.250 . 3.250 2.152 2.128 2.173 . 0 0 "[ . 1 . 2]" 1
512 1 49 ILE HB 1 51 LYS QB 4.400 . 4.400 3.669 3.281 3.781 . 0 0 "[ . 1 . 2]" 1
513 1 49 ILE MG 1 50 PRO HA 5.490 . 5.490 4.398 4.348 4.445 . 0 0 "[ . 1 . 2]" 1
514 1 50 PRO HA 1 51 LYS H 2.600 . 2.600 2.684 2.602 2.773 0.173 1 0 "[ . 1 . 2]" 1
515 1 50 PRO HA 1 52 PRO QD 4.120 . 4.120 3.263 3.182 3.338 . 0 0 "[ . 1 . 2]" 1
516 1 50 PRO HA 1 53 PHE H 3.280 . 3.280 3.270 3.043 3.407 0.127 1 0 "[ . 1 . 2]" 1
517 1 50 PRO HA 1 54 GLU H 4.380 . 4.380 4.059 3.886 4.168 . 0 0 "[ . 1 . 2]" 1
518 1 50 PRO HA 1 54 GLU QB 5.820 . 5.820 4.942 4.778 5.128 . 0 0 "[ . 1 . 2]" 1
519 1 50 PRO QB 1 53 PHE QB 4.510 . 4.510 2.661 2.367 2.976 . 0 0 "[ . 1 . 2]" 1
520 1 50 PRO QB 1 54 GLU H 4.180 . 4.180 3.284 3.055 3.547 . 0 0 "[ . 1 . 2]" 1
521 1 50 PRO QB 1 54 GLU QB 5.170 . 5.170 3.271 3.029 3.595 . 0 0 "[ . 1 . 2]" 1
522 1 51 LYS H 1 51 LYS QB 3.340 . 3.340 2.339 2.257 2.432 . 0 0 "[ . 1 . 2]" 1
523 1 51 LYS H 1 52 PRO QD 3.530 . 3.530 2.209 2.102 2.264 . 0 0 "[ . 1 . 2]" 1
524 1 51 LYS H 1 52 PRO QG 5.670 . 5.670 4.107 3.966 4.201 . 0 0 "[ . 1 . 2]" 1
525 1 51 LYS H 1 54 GLU QB 6.880 . 6.880 5.022 4.775 5.255 . 0 0 "[ . 1 . 2]" 1
526 1 51 LYS HA 1 54 GLU H 3.670 . 3.670 3.633 3.389 3.814 0.144 2 0 "[ . 1 . 2]" 1
527 1 51 LYS HA 1 55 ALA H 4.810 . 4.810 3.728 3.535 3.924 . 0 0 "[ . 1 . 2]" 1
528 1 51 LYS QB 1 79 GLY H 6.880 . 6.880 5.755 5.171 5.956 . 0 0 "[ . 1 . 2]" 1
529 1 52 PRO HA 1 54 GLU H 4.980 . 4.980 5.039 4.989 5.122 0.142 20 0 "[ . 1 . 2]" 1
530 1 52 PRO HA 1 55 ALA H 3.920 . 3.920 3.762 3.669 3.930 0.010 14 0 "[ . 1 . 2]" 1
531 1 52 PRO HA 1 55 ALA MB 3.830 . 3.830 2.489 2.312 2.710 . 0 0 "[ . 1 . 2]" 1
532 1 52 PRO HA 1 56 TRP H 4.920 . 4.920 3.746 3.666 3.935 . 0 0 "[ . 1 . 2]" 1
533 1 52 PRO QB 1 53 PHE H 4.120 . 4.120 3.548 3.438 3.627 . 0 0 "[ . 1 . 2]" 1
534 1 52 PRO QD 1 53 PHE H 4.470 . 4.470 3.009 2.857 3.164 . 0 0 "[ . 1 . 2]" 1
535 1 53 PHE H 1 53 PHE HB2 2.970 . 2.970 2.884 2.825 2.970 0.000 7 0 "[ . 1 . 2]" 1
536 1 53 PHE H 1 53 PHE QB 2.550 . 2.550 2.365 2.308 2.422 . 0 0 "[ . 1 . 2]" 1
537 1 53 PHE H 1 53 PHE HB3 2.970 . 2.970 2.514 2.428 2.587 . 0 0 "[ . 1 . 2]" 1
538 1 53 PHE H 1 53 PHE HD2 5.000 . 5.000 4.697 4.595 4.761 . 0 0 "[ . 1 . 2]" 1
539 1 53 PHE H 1 54 GLU H 2.600 . 2.600 2.686 2.652 2.710 0.110 5 0 "[ . 1 . 2]" 1
540 1 53 PHE H 1 54 GLU QB 5.960 . 5.960 4.501 4.385 4.645 . 0 0 "[ . 1 . 2]" 1
541 1 53 PHE H 1 55 ALA H 3.670 . 3.670 3.735 3.692 3.783 0.113 3 0 "[ . 1 . 2]" 1
542 1 53 PHE H 1 56 TRP H 5.040 . 5.040 4.627 4.515 4.781 . 0 0 "[ . 1 . 2]" 1
543 1 53 PHE HA 1 53 PHE HB2 3.010 . 3.010 2.446 2.421 2.466 . 0 0 "[ . 1 . 2]" 1
544 1 53 PHE HA 1 53 PHE HB3 3.010 . 3.010 3.069 3.065 3.073 0.063 19 0 "[ . 1 . 2]" 1
545 1 53 PHE HA 1 55 ALA H 4.440 . 4.440 4.342 4.270 4.439 . 0 0 "[ . 1 . 2]" 1
546 1 53 PHE HA 1 56 TRP H 4.250 . 4.250 3.719 3.603 3.835 . 0 0 "[ . 1 . 2]" 1
547 1 53 PHE HA 1 56 TRP QB 4.010 . 4.010 3.392 3.079 3.549 . 0 0 "[ . 1 . 2]" 1
548 1 53 PHE HA 1 57 ILE H 4.690 . 4.690 3.757 3.654 3.883 . 0 0 "[ . 1 . 2]" 1
549 1 53 PHE QB 1 53 PHE HD2 3.040 . 3.040 2.388 2.373 2.402 . 0 0 "[ . 1 . 2]" 1
550 1 53 PHE QB 1 54 GLU H 3.340 . 3.340 2.507 2.451 2.565 . 0 0 "[ . 1 . 2]" 1
551 1 53 PHE HB2 1 54 GLU H 4.000 . 4.000 3.929 3.885 3.977 . 0 0 "[ . 1 . 2]" 1
552 1 53 PHE HB3 1 54 GLU H 4.000 . 4.000 2.537 2.478 2.597 . 0 0 "[ . 1 . 2]" 1
553 1 53 PHE HD1 1 57 ILE H 5.050 . 5.050 5.206 5.140 5.244 0.194 2 0 "[ . 1 . 2]" 1
554 1 53 PHE HD1 1 57 ILE QG 5.520 . 5.520 3.427 3.303 3.507 . 0 0 "[ . 1 . 2]" 1
555 1 53 PHE HD2 1 54 GLU H 3.200 . 3.200 3.206 3.063 3.328 0.128 20 0 "[ . 1 . 2]" 1
556 1 53 PHE HD2 1 54 GLU HA 3.800 . 3.800 3.858 3.808 3.888 0.088 1 0 "[ . 1 . 2]" 1
557 1 53 PHE HE1 1 57 ILE MD 3.360 . 3.360 3.230 3.011 3.323 . 0 0 "[ . 1 . 2]" 1
558 1 53 PHE HE2 1 57 ILE MG 5.000 . 5.000 3.939 3.866 4.087 . 0 0 "[ . 1 . 2]" 1
559 1 53 PHE HE2 1 73 LYS QG 6.880 . 6.880 5.925 5.579 6.221 . 0 0 "[ . 1 . 2]" 1
560 1 54 GLU H 1 54 GLU HB2 2.850 . 2.850 2.495 2.399 2.568 . 0 0 "[ . 1 . 2]" 1
561 1 54 GLU H 1 54 GLU QB 2.630 . 2.630 2.290 2.227 2.355 . 0 0 "[ . 1 . 2]" 1
562 1 54 GLU H 1 54 GLU HB3 2.850 . 2.850 2.669 2.566 2.893 0.043 14 0 "[ . 1 . 2]" 1
563 1 54 GLU H 1 54 GLU QG 5.380 . 5.380 4.090 4.050 4.166 . 0 0 "[ . 1 . 2]" 1
564 1 54 GLU H 1 55 ALA H 2.820 . 2.820 2.732 2.635 2.839 0.019 1 0 "[ . 1 . 2]" 1
565 1 54 GLU H 1 56 TRP H 4.890 . 4.890 4.540 4.395 4.675 . 0 0 "[ . 1 . 2]" 1
566 1 54 GLU H 1 57 ILE H 5.030 . 5.030 4.784 4.748 4.819 . 0 0 "[ . 1 . 2]" 1
567 1 54 GLU HA 1 55 ALA H 3.600 . 3.600 3.445 3.406 3.481 . 0 0 "[ . 1 . 2]" 1
568 1 54 GLU HA 1 56 TRP H 4.680 . 4.680 4.632 4.490 4.703 0.023 9 0 "[ . 1 . 2]" 1
569 1 54 GLU HA 1 57 ILE H 3.510 . 3.510 3.518 3.394 3.599 0.089 18 0 "[ . 1 . 2]" 1
570 1 54 GLU HA 1 57 ILE HB 4.500 . 4.500 2.268 2.133 2.379 . 0 0 "[ . 1 . 2]" 1
571 1 54 GLU HA 1 57 ILE MG 4.940 . 4.940 3.076 2.905 3.275 . 0 0 "[ . 1 . 2]" 1
572 1 54 GLU HA 1 58 GLY H 4.770 . 4.770 4.582 4.469 4.734 . 0 0 "[ . 1 . 2]" 1
573 1 54 GLU QB 1 55 ALA H 4.110 . 4.110 3.116 2.846 3.283 . 0 0 "[ . 1 . 2]" 1
574 1 54 GLU QB 1 55 ALA HA 5.880 . 5.880 4.665 4.483 4.812 . 0 0 "[ . 1 . 2]" 1
575 1 54 GLU QB 1 73 LYS QG 6.560 . 6.560 4.356 3.981 4.771 . 0 0 "[ . 1 . 2]" 1
576 1 54 GLU QG 1 57 ILE HB 5.440 . 5.440 3.956 3.521 4.474 . 0 0 "[ . 1 . 2]" 1
577 1 54 GLU QG 1 58 GLY QA 5.960 . 5.960 4.633 4.495 4.787 . 0 0 "[ . 1 . 2]" 1
578 1 55 ALA H 1 55 ALA MB 2.800 . 2.800 2.326 2.291 2.360 . 0 0 "[ . 1 . 2]" 1
579 1 55 ALA H 1 56 TRP H 2.830 . 2.830 2.670 2.590 2.762 . 0 0 "[ . 1 . 2]" 1
580 1 55 ALA H 1 57 ILE H 3.680 . 3.680 3.942 3.913 3.982 0.302 9 0 "[ . 1 . 2]" 1
581 1 55 ALA H 1 78 PRO HA 6.000 . 6.000 5.671 5.548 5.835 . 0 0 "[ . 1 . 2]" 1
582 1 55 ALA HA 1 56 TRP HA 4.740 . 4.740 4.748 4.703 4.808 0.068 13 0 "[ . 1 . 2]" 1
583 1 55 ALA HA 1 57 ILE H 4.930 . 4.930 4.730 4.637 4.791 . 0 0 "[ . 1 . 2]" 1
584 1 55 ALA HA 1 58 GLY H 4.100 . 4.100 3.627 3.551 3.735 . 0 0 "[ . 1 . 2]" 1
585 1 55 ALA HA 1 59 THR H 4.630 . 4.630 4.026 3.819 4.575 . 0 0 "[ . 1 . 2]" 1
586 1 55 ALA HA 1 73 LYS QE 6.880 . 6.880 5.235 4.383 6.133 . 0 0 "[ . 1 . 2]" 1
587 1 55 ALA HA 1 76 ALA H 5.120 . 5.120 4.766 4.501 4.975 . 0 0 "[ . 1 . 2]" 1
588 1 55 ALA HA 1 78 PRO QB 5.880 . 5.880 4.910 4.676 5.128 . 0 0 "[ . 1 . 2]" 1
589 1 55 ALA MB 1 56 TRP H 3.890 . 3.890 2.535 2.471 2.595 . 0 0 "[ . 1 . 2]" 1
590 1 55 ALA MB 1 78 PRO HA 3.140 . 3.140 2.170 2.086 2.292 . 0 0 "[ . 1 . 2]" 1
591 1 56 TRP H 1 56 TRP QB 3.320 . 3.320 2.360 2.260 2.409 . 0 0 "[ . 1 . 2]" 1
592 1 56 TRP H 1 57 ILE H 2.690 . 2.690 2.620 2.583 2.699 0.009 13 0 "[ . 1 . 2]" 1
593 1 56 TRP H 1 57 ILE HB 4.460 . 4.460 4.571 4.502 4.630 0.170 2 0 "[ . 1 . 2]" 1
594 1 56 TRP H 1 58 GLY H 4.080 . 4.080 3.862 3.769 3.962 . 0 0 "[ . 1 . 2]" 1
595 1 56 TRP H 1 59 THR H 4.900 . 4.900 4.673 4.590 4.895 . 0 0 "[ . 1 . 2]" 1
596 1 56 TRP HA 1 57 ILE HA 4.850 . 4.850 4.831 4.784 4.889 0.039 13 0 "[ . 1 . 2]" 1
597 1 56 TRP HA 1 58 GLY H 4.860 . 4.860 3.358 3.162 3.543 . 0 0 "[ . 1 . 2]" 1
598 1 56 TRP HA 1 59 THR H 3.600 . 3.600 2.969 2.779 3.136 . 0 0 "[ . 1 . 2]" 1
599 1 56 TRP HA 1 59 THR HB 4.580 . 4.580 2.996 2.758 3.264 . 0 0 "[ . 1 . 2]" 1
600 1 56 TRP HA 1 59 THR MG 6.080 . 6.080 4.075 3.884 4.224 . 0 0 "[ . 1 . 2]" 1
601 1 56 TRP HA 1 60 ALA H 4.610 . 4.610 4.588 4.451 4.728 0.118 1 0 "[ . 1 . 2]" 1
602 1 56 TRP QB 1 57 ILE H 4.440 . 4.440 2.826 2.647 2.953 . 0 0 "[ . 1 . 2]" 1
603 1 56 TRP QB 1 57 ILE HB 5.950 . 5.950 4.783 4.544 4.935 . 0 0 "[ . 1 . 2]" 1
604 1 56 TRP QB 1 59 THR H 6.880 . 6.880 4.953 4.860 5.076 . 0 0 "[ . 1 . 2]" 1
605 1 57 ILE H 1 57 ILE HB 2.600 . 2.600 2.307 2.248 2.357 . 0 0 "[ . 1 . 2]" 1
606 1 57 ILE H 1 57 ILE MD 4.570 . 4.570 3.783 3.682 3.887 . 0 0 "[ . 1 . 2]" 1
607 1 57 ILE H 1 58 GLY H 2.890 . 2.890 2.864 2.823 2.908 0.018 13 0 "[ . 1 . 2]" 1
608 1 57 ILE H 1 59 THR H 4.610 . 4.610 4.528 4.447 4.594 . 0 0 "[ . 1 . 2]" 1
609 1 57 ILE HA 1 57 ILE MD 4.540 . 4.540 2.236 2.181 2.289 . 0 0 "[ . 1 . 2]" 1
610 1 57 ILE HA 1 57 ILE MG 3.200 . 3.200 2.809 2.768 2.848 . 0 0 "[ . 1 . 2]" 1
611 1 57 ILE HA 1 58 GLY H 3.390 . 3.390 3.299 3.249 3.368 . 0 0 "[ . 1 . 2]" 1
612 1 57 ILE HA 1 59 THR H 4.660 . 4.660 4.770 4.411 4.855 0.195 16 0 "[ . 1 . 2]" 1
613 1 57 ILE HB 1 61 ALA MB 6.000 . 6.000 4.806 4.653 4.959 . 0 0 "[ . 1 . 2]" 1
614 1 57 ILE HB 1 73 LYS QD 6.880 . 6.880 4.726 3.303 6.126 . 0 0 "[ . 1 . 2]" 1
615 1 57 ILE MD 1 57 ILE MG 3.560 . 3.560 2.174 2.131 2.223 . 0 0 "[ . 1 . 2]" 1
616 1 57 ILE MD 1 61 ALA MB 6.000 . 6.000 3.224 3.040 3.428 . 0 0 "[ . 1 . 2]" 1
617 1 57 ILE QG 1 61 ALA MB 6.380 . 6.380 4.587 4.448 4.774 . 0 0 "[ . 1 . 2]" 1
618 1 57 ILE MG 1 65 TRP HE1 4.510 . 4.510 3.539 3.249 3.871 . 0 0 "[ . 1 . 2]" 1
619 1 57 ILE MG 1 73 LYS QG 4.510 . 4.510 3.148 2.719 3.499 . 0 0 "[ . 1 . 2]" 1
620 1 58 GLY H 1 59 THR H 2.370 . 2.370 2.126 2.087 2.163 . 0 0 "[ . 1 . 2]" 1
621 1 58 GLY H 1 60 ALA H 4.200 . 4.200 4.349 4.274 4.421 0.221 9 0 "[ . 1 . 2]" 1
622 1 58 GLY QA 1 61 ALA HA 5.980 . 5.980 5.275 5.113 5.383 . 0 0 "[ . 1 . 2]" 1
623 1 58 GLY QA 1 62 TYR HD1 5.620 . 5.620 3.633 3.365 3.831 . 0 0 "[ . 1 . 2]" 1
624 1 58 GLY QA 1 73 LYS QG 6.860 . 6.860 4.997 4.647 5.566 . 0 0 "[ . 1 . 2]" 1
625 1 59 THR H 1 59 THR MG 4.760 . 4.760 3.866 3.843 3.914 . 0 0 "[ . 1 . 2]" 1
626 1 59 THR H 1 60 ALA H 3.200 . 3.200 3.096 2.592 3.210 0.010 4 0 "[ . 1 . 2]" 1
627 1 59 THR H 1 61 ALA H 4.330 . 4.330 4.293 3.775 4.364 0.034 15 0 "[ . 1 . 2]" 1
628 1 59 THR H 1 61 ALA MB 6.000 . 6.000 4.633 4.229 4.746 . 0 0 "[ . 1 . 2]" 1
629 1 59 THR H 1 62 TYR H 5.310 . 5.310 4.752 4.365 4.918 . 0 0 "[ . 1 . 2]" 1
630 1 59 THR H 1 62 TYR QB 5.570 . 5.570 4.784 4.514 4.907 . 0 0 "[ . 1 . 2]" 1
631 1 59 THR HA 1 59 THR MG 3.240 . 3.240 2.482 2.445 2.528 . 0 0 "[ . 1 . 2]" 1
632 1 59 THR HA 1 60 ALA HA 4.940 . 4.940 4.645 4.606 4.715 . 0 0 "[ . 1 . 2]" 1
633 1 59 THR HA 1 61 ALA H 5.180 . 5.180 5.218 5.102 5.302 0.122 3 0 "[ . 1 . 2]" 1
634 1 59 THR HA 1 62 TYR H 6.000 . 6.000 5.365 5.215 5.568 . 0 0 "[ . 1 . 2]" 1
635 1 59 THR HA 1 77 PHE HA 3.880 . 3.880 4.026 3.956 4.121 0.241 17 0 "[ . 1 . 2]" 1
636 1 59 THR HG1 1 78 PRO QB 4.040 . 4.040 2.913 2.061 3.288 . 0 0 "[ . 1 . 2]" 1
637 1 59 THR MG 1 60 ALA H 6.000 . 6.000 3.546 3.444 3.655 . 0 0 "[ . 1 . 2]" 1
638 1 60 ALA H 1 61 ALA H 2.900 . 2.900 1.976 1.933 2.084 . 0 0 "[ . 1 . 2]" 1
639 1 60 ALA H 1 61 ALA MB 5.380 . 5.380 3.683 3.607 3.774 . 0 0 "[ . 1 . 2]" 1
640 1 60 ALA H 1 62 TYR H 3.580 . 3.580 3.683 3.653 3.710 0.130 11 0 "[ . 1 . 2]" 1
641 1 60 ALA HA 1 62 TYR H 4.500 . 4.500 4.117 4.072 4.166 . 0 0 "[ . 1 . 2]" 1
642 1 60 ALA HA 1 62 TYR QB 5.080 . 5.080 4.608 4.546 4.674 . 0 0 "[ . 1 . 2]" 1
643 1 60 ALA HA 1 63 THR MG 5.360 . 5.360 3.966 3.819 4.097 . 0 0 "[ . 1 . 2]" 1
644 1 61 ALA H 1 61 ALA MB 2.810 . 2.810 2.235 2.211 2.260 . 0 0 "[ . 1 . 2]" 1
645 1 61 ALA H 1 62 TYR H 2.980 . 2.980 2.823 2.724 2.925 . 0 0 "[ . 1 . 2]" 1
646 1 61 ALA H 1 63 THR H 4.830 . 4.830 5.010 4.974 5.065 0.235 12 0 "[ . 1 . 2]" 1
647 1 61 ALA HA 1 63 THR H 4.570 . 4.570 4.159 4.075 4.263 . 0 0 "[ . 1 . 2]" 1
648 1 61 ALA HA 1 64 ALA H 3.700 . 3.700 3.426 3.308 3.527 . 0 0 "[ . 1 . 2]" 1
649 1 61 ALA HA 1 64 ALA MB 4.200 . 4.200 2.993 2.802 3.224 . 0 0 "[ . 1 . 2]" 1
650 1 61 ALA HA 1 65 TRP H 4.700 . 4.700 4.023 3.948 4.132 . 0 0 "[ . 1 . 2]" 1
651 1 61 ALA HA 1 65 TRP HB2 4.580 . 4.580 4.602 4.530 4.645 0.065 17 0 "[ . 1 . 2]" 1
652 1 61 ALA MB 1 62 TYR H 3.410 . 3.410 2.957 2.911 2.989 . 0 0 "[ . 1 . 2]" 1
653 1 61 ALA MB 1 62 TYR HA 4.990 . 4.990 4.111 4.060 4.143 . 0 0 "[ . 1 . 2]" 1
654 1 61 ALA MB 1 65 TRP HB2 4.300 . 4.300 3.382 3.296 3.458 . 0 0 "[ . 1 . 2]" 1
655 1 62 TYR H 1 62 TYR HA 2.900 . 2.900 2.888 2.863 2.908 0.008 1 0 "[ . 1 . 2]" 1
656 1 62 TYR H 1 62 TYR QB 3.440 . 3.440 2.299 2.278 2.330 . 0 0 "[ . 1 . 2]" 1
657 1 62 TYR H 1 62 TYR HD1 5.430 . 5.430 4.639 4.563 4.728 . 0 0 "[ . 1 . 2]" 1
658 1 62 TYR H 1 63 THR H 3.090 . 3.090 3.051 2.993 3.104 0.014 12 0 "[ . 1 . 2]" 1
659 1 62 TYR H 1 64 ALA H 4.300 . 4.300 4.410 4.359 4.471 0.171 3 0 "[ . 1 . 2]" 1
660 1 62 TYR H 1 65 TRP H 4.620 . 4.620 4.704 4.666 4.753 0.133 2 0 "[ . 1 . 2]" 1
661 1 62 TYR HA 1 62 TYR HB2 3.040 . 3.040 2.545 2.512 2.577 . 0 0 "[ . 1 . 2]" 1
662 1 62 TYR HA 1 62 TYR HB3 3.040 . 3.040 3.077 3.067 3.084 0.044 12 0 "[ . 1 . 2]" 1
663 1 62 TYR HA 1 62 TYR HD1 3.600 . 3.600 2.453 2.334 2.574 . 0 0 "[ . 1 . 2]" 1
664 1 62 TYR HA 1 62 TYR HE1 4.750 . 4.750 4.716 4.640 4.795 0.045 9 0 "[ . 1 . 2]" 1
665 1 62 TYR HA 1 63 THR HA 4.900 . 4.900 4.802 4.769 4.822 . 0 0 "[ . 1 . 2]" 1
666 1 62 TYR HA 1 64 ALA H 4.520 . 4.520 4.279 4.206 4.352 . 0 0 "[ . 1 . 2]" 1
667 1 62 TYR HA 1 65 TRP H 3.770 . 3.770 3.484 3.410 3.558 . 0 0 "[ . 1 . 2]" 1
668 1 62 TYR HA 1 65 TRP HB2 3.520 . 3.520 2.808 2.641 2.962 . 0 0 "[ . 1 . 2]" 1
669 1 62 TYR HA 1 66 LYS H 4.890 . 4.890 3.653 3.529 3.858 . 0 0 "[ . 1 . 2]" 1
670 1 62 TYR HA 1 66 LYS QG 4.920 . 4.920 3.593 3.452 3.691 . 0 0 "[ . 1 . 2]" 1
671 1 62 TYR QB 1 63 THR HA 5.080 . 5.080 4.395 4.357 4.432 . 0 0 "[ . 1 . 2]" 1
672 1 62 TYR QB 1 63 THR HB 5.460 . 5.460 4.264 4.115 4.364 . 0 0 "[ . 1 . 2]" 1
673 1 62 TYR QB 1 66 LYS QD 6.810 . 6.810 5.449 5.392 5.512 . 0 0 "[ . 1 . 2]" 1
674 1 62 TYR QB 1 66 LYS QG 6.830 . 6.830 4.167 4.103 4.296 . 0 0 "[ . 1 . 2]" 1
675 1 62 TYR QB 1 73 LYS QE 5.670 . 5.670 3.532 2.879 4.117 . 0 0 "[ . 1 . 2]" 1
676 1 62 TYR HD1 1 65 TRP HB2 4.800 . 4.800 4.575 4.342 4.803 0.003 12 0 "[ . 1 . 2]" 1
677 1 62 TYR HD1 1 65 TRP HB3 3.570 . 3.570 3.547 3.248 3.813 0.243 12 0 "[ . 1 . 2]" 1
678 1 62 TYR HD1 1 66 LYS QD 5.140 . 5.140 4.088 3.872 4.246 . 0 0 "[ . 1 . 2]" 1
679 1 62 TYR HD1 1 66 LYS QG 4.460 . 4.460 3.365 3.176 3.476 . 0 0 "[ . 1 . 2]" 1
680 1 62 TYR HD1 1 73 LYS QE 4.170 . 4.170 2.772 2.245 3.658 . 0 0 "[ . 1 . 2]" 1
681 1 62 TYR HD1 1 75 PRO HA 4.560 . 4.560 4.063 3.795 4.390 . 0 0 "[ . 1 . 2]" 1
682 1 62 TYR HE1 1 66 LYS QD 3.780 . 3.780 2.713 2.554 2.920 . 0 0 "[ . 1 . 2]" 1
683 1 62 TYR HE1 1 66 LYS HG2 4.100 . 4.100 3.578 3.370 3.873 . 0 0 "[ . 1 . 2]" 1
684 1 62 TYR HE1 1 66 LYS QG 3.830 . 3.830 3.387 3.249 3.583 . 0 0 "[ . 1 . 2]" 1
685 1 62 TYR HE1 1 66 LYS HG3 4.100 . 4.100 4.203 4.137 4.286 0.186 19 0 "[ . 1 . 2]" 1
686 1 62 TYR HE1 1 73 LYS H 6.000 . 6.000 5.113 4.489 5.913 . 0 0 "[ . 1 . 2]" 1
687 1 62 TYR HE1 1 73 LYS QB 5.550 . 5.550 4.096 3.582 4.615 . 0 0 "[ . 1 . 2]" 1
688 1 62 TYR HE1 1 73 LYS QE 5.700 . 5.700 4.087 3.252 5.040 . 0 0 "[ . 1 . 2]" 1
689 1 62 TYR HE1 1 75 PRO HA 4.280 . 4.280 3.489 2.818 3.929 . 0 0 "[ . 1 . 2]" 1
690 1 62 TYR HE1 1 75 PRO QB 5.470 . 5.470 3.222 2.774 3.829 . 0 0 "[ . 1 . 2]" 1
691 1 62 TYR HE1 1 75 PRO HD3 4.320 . 4.320 4.163 3.968 4.394 0.074 2 0 "[ . 1 . 2]" 1
692 1 63 THR H 1 63 THR HB 2.570 . 2.570 2.651 2.619 2.693 0.123 8 0 "[ . 1 . 2]" 1
693 1 63 THR H 1 63 THR MG 4.550 . 4.550 2.383 2.267 2.464 . 0 0 "[ . 1 . 2]" 1
694 1 63 THR H 1 64 ALA H 2.670 . 2.670 2.707 2.680 2.742 0.072 8 0 "[ . 1 . 2]" 1
695 1 63 THR H 1 65 TRP H 4.480 . 4.480 4.147 4.064 4.268 . 0 0 "[ . 1 . 2]" 1
696 1 63 THR H 1 65 TRP HB3 6.000 . 6.000 5.491 5.361 5.635 . 0 0 "[ . 1 . 2]" 1
697 1 63 THR H 1 66 LYS QG 6.880 . 6.880 4.838 4.600 4.918 . 0 0 "[ . 1 . 2]" 1
698 1 63 THR HA 1 65 TRP H 4.800 . 4.800 4.611 4.493 4.703 . 0 0 "[ . 1 . 2]" 1
699 1 63 THR HA 1 66 LYS H 3.700 . 3.700 3.707 3.490 3.767 0.067 8 0 "[ . 1 . 2]" 1
700 1 63 THR HA 1 66 LYS QB 4.880 . 4.880 2.896 2.583 3.186 . 0 0 "[ . 1 . 2]" 1
701 1 63 THR HA 1 66 LYS QE 6.300 . 6.300 5.447 5.183 5.774 . 0 0 "[ . 1 . 2]" 1
702 1 63 THR HA 1 66 LYS HG2 4.730 . 4.730 4.254 3.590 4.537 . 0 0 "[ . 1 . 2]" 1
703 1 63 THR HA 1 66 LYS QG 4.540 . 4.540 3.548 3.256 3.675 . 0 0 "[ . 1 . 2]" 1
704 1 63 THR HA 1 66 LYS HG3 4.730 . 4.730 3.825 3.647 4.286 . 0 0 "[ . 1 . 2]" 1
705 1 63 THR HB 1 64 ALA H 4.300 . 4.300 4.174 4.116 4.239 . 0 0 "[ . 1 . 2]" 1
706 1 63 THR MG 1 64 ALA H 4.270 . 4.270 2.716 2.640 2.791 . 0 0 "[ . 1 . 2]" 1
707 1 64 ALA H 1 64 ALA MB 2.900 . 2.900 2.373 2.335 2.440 . 0 0 "[ . 1 . 2]" 1
708 1 64 ALA H 1 65 TRP H 2.690 . 2.690 2.328 2.261 2.365 . 0 0 "[ . 1 . 2]" 1
709 1 64 ALA H 1 65 TRP HB2 4.000 . 4.000 4.203 4.153 4.245 0.245 17 0 "[ . 1 . 2]" 1
710 1 64 ALA H 1 66 LYS H 4.080 . 4.080 3.985 3.870 4.093 0.013 9 0 "[ . 1 . 2]" 1
711 1 64 ALA HA 1 66 LYS H 4.500 . 4.500 4.556 4.505 4.639 0.139 12 0 "[ . 1 . 2]" 1
712 1 64 ALA HA 1 67 ALA MB 4.470 . 4.470 2.976 2.649 3.318 . 0 0 "[ . 1 . 2]" 1
713 1 64 ALA HA 1 68 LYS H 4.770 . 4.770 4.543 4.140 4.867 0.097 11 0 "[ . 1 . 2]" 1
714 1 64 ALA HA 1 68 LYS QD 6.080 . 6.080 4.360 3.697 4.555 . 0 0 "[ . 1 . 2]" 1
715 1 64 ALA MB 1 65 TRP H . . 3.970 2.598 2.496 2.668 . 0 0 "[ . 1 . 2]" 1
716 1 64 ALA MB 1 68 LYS QE 3.950 . 3.950 2.921 2.451 3.433 . 0 0 "[ . 1 . 2]" 1
717 1 65 TRP H 1 65 TRP HB2 2.600 . 2.600 2.161 2.142 2.178 . 0 0 "[ . 1 . 2]" 1
718 1 65 TRP H 1 66 LYS H 2.780 . 2.780 2.850 2.815 2.876 0.096 9 0 "[ . 1 . 2]" 1
719 1 65 TRP H 1 67 ALA H 6.000 . 6.000 4.349 4.227 4.507 . 0 0 "[ . 1 . 2]" 1
720 1 65 TRP H 1 68 LYS H 5.000 . 5.000 4.926 4.788 5.061 0.061 11 0 "[ . 1 . 2]" 1
721 1 65 TRP HA 1 65 TRP HB3 2.900 . 2.900 3.046 3.031 3.069 0.169 12 0 "[ . 1 . 2]" 1
722 1 65 TRP HA 1 68 LYS H 3.670 . 3.670 3.356 3.229 3.492 . 0 0 "[ . 1 . 2]" 1
723 1 65 TRP HA 1 68 LYS QB 5.100 . 5.100 2.700 2.495 2.984 . 0 0 "[ . 1 . 2]" 1
724 1 65 TRP HA 1 68 LYS HD2 3.910 . 3.910 2.623 2.218 4.047 0.137 7 0 "[ . 1 . 2]" 1
725 1 65 TRP HA 1 68 LYS QD 3.370 . 3.370 2.508 2.178 2.958 . 0 0 "[ . 1 . 2]" 1
726 1 65 TRP HA 1 68 LYS HD3 3.910 . 3.910 3.575 2.826 3.936 0.026 10 0 "[ . 1 . 2]" 1
727 1 65 TRP HA 1 68 LYS QG 5.100 . 5.100 4.237 3.926 4.589 . 0 0 "[ . 1 . 2]" 1
728 1 65 TRP HA 1 69 HIS QB 5.570 . 5.570 4.651 4.224 4.885 . 0 0 "[ . 1 . 2]" 1
729 1 65 TRP HB2 1 66 LYS H 3.600 . 3.600 3.575 3.505 3.636 0.036 19 0 "[ . 1 . 2]" 1
730 1 65 TRP HB3 1 66 LYS H 2.830 . 2.830 2.729 2.635 2.847 0.017 19 0 "[ . 1 . 2]" 1
731 1 65 TRP HB3 1 68 LYS QB 6.580 . 6.580 5.283 5.101 5.597 . 0 0 "[ . 1 . 2]" 1
732 1 65 TRP HE1 1 69 HIS QB 6.880 . 6.880 5.657 5.504 5.863 . 0 0 "[ . 1 . 2]" 1
733 1 65 TRP HE1 1 73 LYS QD 6.880 . 6.880 5.283 4.081 6.371 . 0 0 "[ . 1 . 2]" 1
734 1 65 TRP HE3 1 73 LYS QB 4.120 . 4.120 3.052 2.769 3.284 . 0 0 "[ . 1 . 2]" 1
735 1 65 TRP HH2 1 72 GLU HB3 2.540 . 2.540 2.208 2.100 2.366 . 0 0 "[ . 1 . 2]" 1
736 1 65 TRP HH2 1 73 LYS HA 4.920 . 4.920 4.708 4.518 4.889 . 0 0 "[ . 1 . 2]" 1
737 1 65 TRP HH2 1 73 LYS QG 5.660 . 5.660 4.937 4.701 5.044 . 0 0 "[ . 1 . 2]" 1
738 1 65 TRP HZ2 1 69 HIS QB 4.820 . 4.820 4.247 4.105 4.468 . 0 0 "[ . 1 . 2]" 1
739 1 65 TRP HZ2 1 73 LYS QB 4.480 . 4.480 3.716 3.550 3.846 . 0 0 "[ . 1 . 2]" 1
740 1 65 TRP HZ3 1 72 GLU HB2 2.890 . 2.890 3.037 2.518 3.191 0.301 19 0 "[ . 1 . 2]" 1
741 1 66 LYS H 1 66 LYS HA 2.910 . 2.910 2.953 2.938 2.979 0.069 12 0 "[ . 1 . 2]" 1
742 1 66 LYS H 1 66 LYS HG2 3.570 . 3.570 2.588 2.470 2.668 . 0 0 "[ . 1 . 2]" 1
743 1 66 LYS H 1 66 LYS HG3 3.570 . 3.570 3.665 3.543 3.864 0.294 17 0 "[ . 1 . 2]" 1
744 1 66 LYS H 1 68 LYS H 4.110 . 4.110 4.252 4.218 4.301 0.191 17 0 "[ . 1 . 2]" 1
745 1 66 LYS H 1 69 HIS H 5.330 . 5.330 4.851 4.742 4.948 . 0 0 "[ . 1 . 2]" 1
746 1 66 LYS HA 1 66 LYS QD 5.080 . 5.080 2.367 2.210 2.850 . 0 0 "[ . 1 . 2]" 1
747 1 66 LYS HA 1 68 LYS H 4.790 . 4.790 4.402 4.196 4.582 . 0 0 "[ . 1 . 2]" 1
748 1 66 LYS QB 1 67 ALA HA 5.480 . 5.480 4.291 4.199 4.405 . 0 0 "[ . 1 . 2]" 1
749 1 66 LYS QD 1 71 ASP HA 3.620 . 3.620 2.970 2.612 3.388 . 0 0 "[ . 1 . 2]" 1
750 1 66 LYS QD 1 72 GLU H 6.880 . 6.880 4.649 4.391 5.322 . 0 0 "[ . 1 . 2]" 1
751 1 67 ALA HA 1 68 LYS H 3.600 . 3.600 3.612 3.573 3.642 0.042 3 0 "[ . 1 . 2]" 1
752 1 67 ALA HA 1 68 LYS HA 4.890 . 4.890 4.800 4.763 4.836 . 0 0 "[ . 1 . 2]" 1
753 1 67 ALA MB 1 68 LYS H 3.520 . 3.520 2.715 2.586 2.845 . 0 0 "[ . 1 . 2]" 1
754 1 68 LYS H 1 68 LYS QB 3.550 . 3.550 2.449 2.308 2.610 . 0 0 "[ . 1 . 2]" 1
755 1 68 LYS H 1 68 LYS QD 3.490 . 3.490 3.055 2.445 3.279 . 0 0 "[ . 1 . 2]" 1
756 1 68 LYS H 1 68 LYS QE 6.880 . 6.880 4.496 4.121 4.959 . 0 0 "[ . 1 . 2]" 1
757 1 68 LYS H 1 68 LYS QG 5.580 . 5.580 2.752 2.443 3.686 . 0 0 "[ . 1 . 2]" 1
758 1 68 LYS H 1 69 HIS H 2.830 . 2.830 2.749 2.579 2.858 0.028 13 0 "[ . 1 . 2]" 1
759 1 68 LYS HA 1 68 LYS QD 5.540 . 5.540 4.021 3.143 4.110 . 0 0 "[ . 1 . 2]" 1
760 1 68 LYS QB 1 68 LYS QE 6.450 . 6.450 3.713 3.618 3.833 . 0 0 "[ . 1 . 2]" 1
761 1 68 LYS QB 1 69 HIS H 3.710 . 3.710 2.713 2.601 2.967 . 0 0 "[ . 1 . 2]" 1
762 1 68 LYS QB 1 69 HIS QB 6.200 . 6.200 3.469 3.288 3.655 . 0 0 "[ . 1 . 2]" 1
763 1 68 LYS QB 1 69 HIS HD2 4.190 . 4.190 3.375 2.720 3.732 . 0 0 "[ . 1 . 2]" 1
764 1 68 LYS HB2 1 69 HIS HB2 7.270 . 7.270 3.841 3.615 4.055 . 0 0 "[ . 1 . 2]" 1
765 1 68 LYS HB2 1 69 HIS HB3 7.270 . 7.270 5.423 5.226 5.668 . 0 0 "[ . 1 . 2]" 1
766 1 68 LYS HB3 1 69 HIS HB2 7.270 . 7.270 4.166 3.830 4.611 . 0 0 "[ . 1 . 2]" 1
767 1 68 LYS HB3 1 69 HIS HB3 7.270 . 7.270 5.698 5.438 5.914 . 0 0 "[ . 1 . 2]" 1
768 1 68 LYS QG 1 69 HIS H 5.490 . 5.490 4.446 4.318 4.595 . 0 0 "[ . 1 . 2]" 1
769 1 69 HIS H 1 69 HIS QB 3.460 . 3.460 2.701 2.658 2.747 . 0 0 "[ . 1 . 2]" 1
770 1 69 HIS HA 1 70 PRO QD 3.300 . 3.300 2.219 2.158 2.317 . 0 0 "[ . 1 . 2]" 1
771 1 69 HIS HA 1 70 PRO HG3 4.800 . 4.800 4.714 4.645 4.812 0.012 17 0 "[ . 1 . 2]" 1
772 1 69 HIS QB 1 72 GLU H 6.880 . 6.880 3.240 2.867 3.916 . 0 0 "[ . 1 . 2]" 1
773 1 69 HIS QB 1 72 GLU HB3 6.210 . 6.210 3.037 2.717 3.885 . 0 0 "[ . 1 . 2]" 1
774 1 69 HIS QB 1 72 GLU QG 6.650 . 6.650 4.399 3.953 4.619 . 0 0 "[ . 1 . 2]" 1
775 1 69 HIS QB 1 73 LYS H 6.880 . 6.880 4.196 3.998 4.560 . 0 0 "[ . 1 . 2]" 1
776 1 70 PRO HA 1 72 GLU H 4.510 . 4.510 4.694 4.475 4.778 0.268 7 0 "[ . 1 . 2]" 1
777 1 70 PRO QB 1 71 ASP HA 5.880 . 5.880 4.724 4.557 4.817 . 0 0 "[ . 1 . 2]" 1
778 1 70 PRO QB 1 71 ASP QB 6.220 . 6.220 3.938 3.663 4.214 . 0 0 "[ . 1 . 2]" 1
779 1 70 PRO QD 1 72 GLU H 6.880 . 6.880 3.682 3.330 3.861 . 0 0 "[ . 1 . 2]" 1
780 1 70 PRO QD 1 72 GLU HB3 5.480 . 5.480 4.470 4.227 4.599 . 0 0 "[ . 1 . 2]" 1
781 1 70 PRO HG2 1 71 ASP H 2.630 . 2.630 2.294 2.034 2.764 0.134 17 0 "[ . 1 . 2]" 1
782 1 70 PRO HG2 1 72 GLU H 4.560 . 4.560 3.482 2.928 3.764 . 0 0 "[ . 1 . 2]" 1
783 1 70 PRO HG2 1 72 GLU HA 4.570 . 4.570 4.679 4.568 4.802 0.232 7 0 "[ . 1 . 2]" 1
784 1 70 PRO HG3 1 71 ASP H 3.930 . 3.930 3.747 3.554 3.934 0.004 17 0 "[ . 1 . 2]" 1
785 1 71 ASP H 1 71 ASP HB2 3.300 . 3.300 3.015 2.361 3.196 . 0 0 "[ . 1 . 2]" 1
786 1 71 ASP H 1 71 ASP QB 2.780 . 2.780 2.695 2.331 2.884 0.104 1 0 "[ . 1 . 2]" 1
787 1 71 ASP H 1 71 ASP HB3 3.300 . 3.300 3.108 2.714 3.603 0.303 15 0 "[ . 1 . 2]" 1
788 1 71 ASP H 1 72 GLU H 3.030 . 3.030 2.911 2.557 3.269 0.239 6 0 "[ . 1 . 2]" 1
789 1 71 ASP HA 1 72 GLU H 3.200 . 3.200 2.564 2.384 3.210 0.010 9 0 "[ . 1 . 2]" 1
790 1 71 ASP HA 1 73 LYS H 3.890 . 3.890 3.748 3.376 4.051 0.161 9 0 "[ . 1 . 2]" 1
791 1 71 ASP QB 1 72 GLU HA 5.480 . 5.480 4.704 4.459 4.867 . 0 0 "[ . 1 . 2]" 1
792 1 71 ASP HB2 1 72 GLU H 4.990 . 4.990 4.597 4.432 4.650 . 0 0 "[ . 1 . 2]" 1
793 1 71 ASP HB3 1 72 GLU H 4.990 . 4.990 4.372 3.994 4.475 . 0 0 "[ . 1 . 2]" 1
794 1 72 GLU H 1 72 GLU HA 2.900 . 2.900 2.928 2.765 3.013 0.113 20 0 "[ . 1 . 2]" 1
795 1 72 GLU H 1 72 GLU HB2 2.550 . 2.550 2.393 2.206 2.566 0.016 20 0 "[ . 1 . 2]" 1
796 1 72 GLU H 1 72 GLU QG 4.830 . 4.830 4.045 3.885 4.147 . 0 0 "[ . 1 . 2]" 1
797 1 72 GLU H 1 73 LYS H 3.200 . 3.200 2.840 2.620 3.159 . 0 0 "[ . 1 . 2]" 1
798 1 72 GLU HA 1 72 GLU HB2 2.870 . 2.870 2.727 2.659 2.943 0.073 17 0 "[ . 1 . 2]" 1
799 1 72 GLU HA 1 72 GLU QG 3.480 . 3.480 2.321 2.149 2.469 . 0 0 "[ . 1 . 2]" 1
800 1 72 GLU HB3 1 73 LYS H 4.920 . 4.920 2.747 2.329 3.362 . 0 0 "[ . 1 . 2]" 1
801 1 72 GLU HB3 1 73 LYS QB 4.960 . 4.960 3.729 3.476 4.117 . 0 0 "[ . 1 . 2]" 1
802 1 72 GLU QG 1 73 LYS H 5.680 . 5.680 4.206 3.906 4.623 . 0 0 "[ . 1 . 2]" 1
803 1 73 LYS H 1 73 LYS HB2 3.520 . 3.520 2.736 2.502 2.924 . 0 0 "[ . 1 . 2]" 1
804 1 73 LYS H 1 73 LYS QB 3.310 . 3.310 2.278 2.131 2.444 . 0 0 "[ . 1 . 2]" 1
805 1 73 LYS H 1 73 LYS HB3 3.520 . 3.520 2.456 2.221 2.691 . 0 0 "[ . 1 . 2]" 1
806 1 73 LYS H 1 73 LYS QD 5.790 . 5.790 4.408 3.820 4.939 . 0 0 "[ . 1 . 2]" 1
807 1 73 LYS H 1 73 LYS QG 5.710 . 5.710 4.132 4.016 4.229 . 0 0 "[ . 1 . 2]" 1
808 1 73 LYS H 1 74 PHE H 4.680 . 4.680 4.676 4.597 4.711 0.031 20 0 "[ . 1 . 2]" 1
809 1 73 LYS HA 1 73 LYS QB 2.710 . 2.710 2.370 2.259 2.463 . 0 0 "[ . 1 . 2]" 1
810 1 73 LYS HA 1 73 LYS QD 5.190 . 5.190 3.888 3.345 4.255 . 0 0 "[ . 1 . 2]" 1
811 1 73 LYS HA 1 73 LYS QG 3.510 . 3.510 2.525 2.369 2.674 . 0 0 "[ . 1 . 2]" 1
812 1 73 LYS HA 1 74 PHE H 2.890 . 2.890 2.265 2.155 2.337 . 0 0 "[ . 1 . 2]" 1
813 1 73 LYS HA 1 74 PHE HB2 5.000 . 5.000 4.356 4.186 4.478 . 0 0 "[ . 1 . 2]" 1
814 1 73 LYS HA 1 74 PHE QB 4.710 . 4.710 4.074 3.944 4.166 . 0 0 "[ . 1 . 2]" 1
815 1 73 LYS HA 1 74 PHE HB3 5.000 . 5.000 4.907 4.747 5.053 0.053 5 0 "[ . 1 . 2]" 1
816 1 73 LYS QB 1 74 PHE H 3.990 . 3.990 3.658 3.555 3.721 . 0 0 "[ . 1 . 2]" 1
817 1 73 LYS QB 1 75 PRO HD3 6.610 . 6.610 5.718 5.409 5.849 . 0 0 "[ . 1 . 2]" 1
818 1 73 LYS HB2 1 74 PHE H 4.400 . 4.400 4.139 4.011 4.234 . 0 0 "[ . 1 . 2]" 1
819 1 73 LYS HB3 1 74 PHE H 4.400 . 4.400 4.086 3.870 4.275 . 0 0 "[ . 1 . 2]" 1
820 1 73 LYS QG 1 74 PHE H 4.720 . 4.720 2.453 2.075 2.936 . 0 0 "[ . 1 . 2]" 1
821 1 74 PHE H 1 74 PHE QB 3.370 . 3.370 2.283 2.200 2.365 . 0 0 "[ . 1 . 2]" 1
822 1 74 PHE H 1 74 PHE HD1 6.000 . 6.000 4.644 4.446 4.873 . 0 0 "[ . 1 . 2]" 1
823 1 74 PHE HA 1 74 PHE QB 2.760 . 2.760 2.479 2.449 2.525 . 0 0 "[ . 1 . 2]" 1
824 1 74 PHE HA 1 74 PHE HD1 3.000 . 3.000 2.969 2.774 3.054 0.054 12 0 "[ . 1 . 2]" 1
825 1 74 PHE HA 1 75 PRO HD3 2.350 . 2.350 2.432 2.386 2.477 0.127 18 0 "[ . 1 . 2]" 1
826 1 74 PHE QB 1 75 PRO HD2 4.680 . 4.680 3.796 3.695 3.971 . 0 0 "[ . 1 . 2]" 1
827 1 74 PHE QB 1 76 ALA MB 4.420 . 4.420 3.307 2.905 3.480 . 0 0 "[ . 1 . 2]" 1
828 1 74 PHE HD2 1 76 ALA MB 2.820 . 2.820 2.666 2.432 2.779 . 0 0 "[ . 1 . 2]" 1
829 1 74 PHE HE2 1 76 ALA MB 5.080 . 5.080 4.329 4.007 4.577 . 0 0 "[ . 1 . 2]" 1
830 1 75 PRO HA 1 76 ALA H 2.500 . 2.500 2.373 2.263 2.454 . 0 0 "[ . 1 . 2]" 1
831 1 75 PRO HA 1 76 ALA HA 4.500 . 4.500 4.582 4.559 4.599 0.099 8 0 "[ . 1 . 2]" 1
832 1 75 PRO HA 1 76 ALA MB 5.100 . 5.100 4.207 4.097 4.252 . 0 0 "[ . 1 . 2]" 1
833 1 76 ALA H 1 76 ALA MB 3.100 . 3.100 2.248 2.220 2.281 . 0 0 "[ . 1 . 2]" 1
834 1 76 ALA H 1 77 PHE H 4.720 . 4.720 4.597 4.553 4.623 . 0 0 "[ . 1 . 2]" 1
835 1 76 ALA HA 1 77 PHE H 2.760 . 2.760 2.094 2.065 2.116 . 0 0 "[ . 1 . 2]" 1
836 1 76 ALA HA 1 77 PHE HA 4.700 . 4.700 4.530 4.482 4.551 . 0 0 "[ . 1 . 2]" 1
837 1 76 ALA HA 1 77 PHE QB 5.380 . 5.380 4.317 4.211 4.394 . 0 0 "[ . 1 . 2]" 1
838 1 76 ALA HA 1 77 PHE QD 3.580 . 3.580 3.621 3.595 3.667 0.087 8 0 "[ . 1 . 2]" 1
839 1 76 ALA MB 1 77 PHE HA 5.200 . 5.200 4.351 4.302 4.428 . 0 0 "[ . 1 . 2]" 1
840 1 77 PHE H 1 77 PHE QB 3.330 . 3.330 2.816 2.669 2.907 . 0 0 "[ . 1 . 2]" 1
841 1 77 PHE HA 1 77 PHE HB2 2.850 . 2.850 2.389 2.365 2.463 . 0 0 "[ . 1 . 2]" 1
842 1 77 PHE HA 1 77 PHE QB 2.640 . 2.640 2.179 2.172 2.196 . 0 0 "[ . 1 . 2]" 1
843 1 77 PHE HA 1 77 PHE HB3 2.850 . 2.850 2.517 2.466 2.554 . 0 0 "[ . 1 . 2]" 1
844 1 77 PHE HA 1 78 PRO QB 6.230 . 6.230 4.691 4.566 4.744 . 0 0 "[ . 1 . 2]" 1
845 1 77 PHE HA 1 78 PRO QD 3.450 . 3.450 2.250 2.213 2.286 . 0 0 "[ . 1 . 2]" 1
846 1 77 PHE HA 1 78 PRO QG 5.460 . 5.460 4.258 4.238 4.314 . 0 0 "[ . 1 . 2]" 1
847 1 77 PHE QD 1 79 GLY QA 5.480 . 5.480 3.399 3.199 3.510 . 0 0 "[ . 1 . 2]" 1
848 1 77 PHE QE 1 79 GLY H 4.920 . 4.920 4.386 3.412 4.571 . 0 0 "[ . 1 . 2]" 1
849 1 77 PHE QE 1 79 GLY QA 2.770 . 2.770 2.459 2.295 2.597 . 0 0 "[ . 1 . 2]" 1
850 1 78 PRO HA 1 79 GLY QA 5.540 . 5.540 4.057 4.030 4.096 . 0 0 "[ . 1 . 2]" 1
851 1 79 GLY H 1 79 GLY QA 2.640 . 2.640 2.463 2.291 2.574 . 0 0 "[ . 1 . 2]" 1
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