NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377406 |
1g6e   |
4833 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g6e
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 1050
_Distance_constraint_stats_list.Viol_count 2171
_Distance_constraint_stats_list.Viol_total 13151.707
_Distance_constraint_stats_list.Viol_max 1.296
_Distance_constraint_stats_list.Viol_rms 0.0757
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0139
_Distance_constraint_stats_list.Viol_average_violations_only 0.2019
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 2 ILE 15.826 0.928 22 16 "[** ** **** ****-2 + *. * 3]"
1 3 ASN 1.348 0.265 22 0 "[ . 1 . 2 . 3]"
1 4 ARG 8.373 0.397 10 0 "[ . 1 . 2 . 3]"
1 5 THR 4.567 0.261 25 0 "[ . 1 . 2 . 3]"
1 7 CYS 12.377 0.381 15 0 "[ . 1 . 2 . 3]"
1 8 ASN 3.037 0.297 6 0 "[ . 1 . 2 . 3]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 SER 41.951 0.851 12 30 [***********+******************]
1 12 TYR 2.166 0.375 26 0 "[ . 1 . 2 . 3]"
1 13 LEU 16.051 0.504 3 1 "[ + . 1 . 2 . 3]"
1 14 GLU 8.752 0.269 3 0 "[ . 1 . 2 . 3]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 16 HIS 1.442 0.148 29 0 "[ . 1 . 2 . 3]"
1 17 ASN 11.215 0.221 28 0 "[ . 1 . 2 . 3]"
1 18 ASN 0.941 0.128 17 0 "[ . 1 . 2 . 3]"
1 19 GLU 0.327 0.104 10 0 "[ . 1 . 2 . 3]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 ASP 7.827 0.189 13 0 "[ . 1 . 2 . 3]"
1 23 THR 7.454 0.221 28 0 "[ . 1 . 2 . 3]"
1 24 LEU 10.051 0.429 15 0 "[ . 1 . 2 . 3]"
1 25 CYS 14.160 0.381 15 0 "[ . 1 . 2 . 3]"
1 26 PHE 31.409 0.504 3 1 "[ + . 1 . 2 . 3]"
1 27 ALA 4.907 0.388 4 0 "[ . 1 . 2 . 3]"
1 28 ASN 15.873 0.928 22 16 "[** ** **** ****-2 + *. * 3]"
1 29 ALA 2.778 0.102 5 0 "[ . 1 . 2 . 3]"
1 30 GLY 26.786 0.733 17 13 "[* . *1- * . + 2* **.*****]"
1 31 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 MET 5.548 0.240 22 0 "[ . 1 . 2 . 3]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 34 VAL 1.443 0.316 25 0 "[ . 1 . 2 . 3]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 ILE 14.603 0.725 29 11 "[ * . * 1* * . * 2* * .*- +*]"
1 37 TYR 0.486 0.117 26 0 "[ . 1 . 2 . 3]"
1 38 GLY 61.899 1.296 29 30 [**********-*****************+*]
1 39 VAL 5.026 0.361 22 0 "[ . 1 . 2 . 3]"
1 40 ASN 0.327 0.104 10 0 "[ . 1 . 2 . 3]"
1 41 TRP 0.066 0.021 24 0 "[ . 1 . 2 . 3]"
1 42 VAL 18.065 0.539 24 1 "[ . 1 . 2 +. 3]"
1 43 GLU 7.839 0.269 3 0 "[ . 1 . 2 . 3]"
1 44 SER 11.751 0.303 15 0 "[ . 1 . 2 . 3]"
1 45 GLY 5.208 0.250 30 0 "[ . 1 . 2 . 3]"
1 46 ASN 1.990 0.164 22 0 "[ . 1 . 2 . 3]"
1 47 ASN 12.614 0.305 8 0 "[ . 1 . 2 . 3]"
1 48 VAL 8.032 0.291 3 0 "[ . 1 . 2 . 3]"
1 49 VAL 5.685 0.212 11 0 "[ . 1 . 2 . 3]"
1 50 THR 21.456 0.816 29 29 "[********************-** ****+*]"
1 51 LEU 0.215 0.054 11 0 "[ . 1 . 2 . 3]"
1 52 GLN 21.607 0.589 29 12 "[ -* .* *1* * .* **2 * .* +3]"
1 53 PHE 29.027 0.368 12 0 "[ . 1 . 2 . 3]"
1 54 GLN 20.309 0.492 29 0 "[ . 1 . 2 . 3]"
1 55 ARG 9.166 0.372 29 0 "[ . 1 . 2 . 3]"
1 56 ASN 0.245 0.073 30 0 "[ . 1 . 2 . 3]"
1 57 LEU 6.370 0.258 29 0 "[ . 1 . 2 . 3]"
1 58 SER 0.089 0.019 20 0 "[ . 1 . 2 . 3]"
1 59 ASP 2.136 0.072 26 0 "[ . 1 . 2 . 3]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 ARG 2.047 0.072 26 0 "[ . 1 . 2 . 3]"
1 62 LEU 6.423 0.286 11 0 "[ . 1 . 2 . 3]"
1 63 GLU 29.020 0.368 12 0 "[ . 1 . 2 . 3]"
1 64 THR 0.484 0.195 13 0 "[ . 1 . 2 . 3]"
1 65 ILE 0.321 0.061 10 0 "[ . 1 . 2 . 3]"
1 66 THR 0.520 0.061 10 0 "[ . 1 . 2 . 3]"
1 67 LEU 10.387 0.303 15 0 "[ . 1 . 2 . 3]"
1 68 GLN 0.627 0.096 13 0 "[ . 1 . 2 . 3]"
1 69 LYS 7.096 0.277 30 0 "[ . 1 . 2 . 3]"
1 70 TRP 46.437 0.851 12 30 [***********+******************]
1 71 GLY 12.161 0.293 17 0 "[ . 1 . 2 . 3]"
1 72 SER 0.162 0.082 28 0 "[ . 1 . 2 . 3]"
1 73 TRP 17.969 0.539 24 1 "[ . 1 . 2 +. 3]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 76 GLY 0.613 0.054 12 0 "[ . 1 . 2 . 3]"
1 77 HIS 6.196 0.310 12 0 "[ . 1 . 2 . 3]"
1 78 ILE 67.928 1.296 29 30 [**********-*****************+*]
1 79 HIS 20.733 0.372 29 0 "[ . 1 . 2 . 3]"
1 80 GLU 19.209 0.492 29 0 "[ . 1 . 2 . 3]"
1 81 ILE 14.603 0.725 29 11 "[ * . * 1* * . * 2* * .*- +*]"
1 82 LEU 1.443 0.316 25 0 "[ . 1 . 2 . 3]"
1 83 SER 14.699 0.589 29 12 "[ -* .* *1* * .* **2 * .* +3]"
1 84 ILE 5.548 0.240 22 0 "[ . 1 . 2 . 3]"
1 85 ARG 21.469 0.816 29 29 "[********************-** ****+*]"
1 86 ILE 24.238 0.733 17 13 "[* . *1- * . + 2* **.*****]"
1 87 TYR 7.658 0.291 3 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 ILE H . . 3.300 2.731 2.163 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 ILE H 1 30 GLY HA2 . . 5.000 4.033 3.254 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 2 ILE H 1 30 GLY HA3 . . 3.300 2.837 1.755 3.462 0.162 9 0 "[ . 1 . 2 . 3]" 1
4 1 2 ILE HA 1 3 ASN H . . 2.900 2.226 2.194 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 ILE HA 1 28 ASN HA . . 5.500 5.993 5.542 6.428 0.928 22 16 "[** ** **** ****-2 + *. * 3]" 1
6 1 2 ILE HA 1 28 ASN QB . . 3.300 3.080 2.571 3.397 0.097 22 0 "[ . 1 . 2 . 3]" 1
7 1 2 ILE HB 1 3 ASN H . . 5.500 4.144 3.923 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 ILE HB 1 30 GLY H . . 5.500 4.423 3.987 5.114 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 ILE HB 1 30 GLY HA3 . . 5.000 2.817 2.163 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 ILE HB 1 84 ILE MG . . 6.000 4.303 3.967 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 2 ILE MG 1 3 ASN H . . 6.500 3.935 3.485 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 ILE MG 1 30 GLY H . . 6.500 5.467 5.039 6.230 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 ILE MG 1 30 GLY HA2 . . 6.000 4.559 4.094 5.667 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 2 ILE MG 1 30 GLY HA3 . . 4.300 3.683 3.183 4.630 0.330 16 0 "[ . 1 . 2 . 3]" 1
15 1 2 ILE MG 1 32 MET HB2 . . 4.300 2.763 2.444 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 2 ILE MG 1 32 MET HB3 . . 6.000 1.585 1.339 1.881 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 ILE MG 1 32 MET QG . . 5.100 1.297 0.742 1.728 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 2 ILE MG 1 32 MET ME . . 5.300 2.413 1.104 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 2 ILE HG12 1 3 ASN H . . 5.500 2.966 2.485 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 2 ILE HG13 1 3 ASN H . . 5.500 2.707 2.426 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 2 ILE QG 1 3 ASN H . . 5.180 2.488 2.288 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 2 ILE MD 1 26 PHE QD . . 6.500 2.640 2.153 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 2 ILE MD 1 26 PHE QE . . 8.200 3.345 2.993 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 2 ILE MD 1 30 GLY H . . 6.500 5.500 4.888 5.864 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 2 ILE MD 1 32 MET H . . 4.300 2.401 1.970 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 2 ILE MD 1 32 MET QB . . 7.300 3.458 3.083 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 2 ILE MD 1 32 MET QG . . 7.300 1.729 1.105 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 2 ILE MD 1 32 MET ME . . 7.500 2.013 1.137 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 2 ILE MD 1 84 ILE HB . . 4.300 2.550 1.948 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 2 ILE MD 1 84 ILE MG . . 4.700 2.023 1.653 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 2 ILE MD 1 84 ILE MD . . 7.000 2.837 2.379 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 2 ILE MD 1 85 ARG HA . . 6.000 4.325 3.887 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 2 ILE MD 1 85 ARG QB . . 7.300 5.576 5.151 6.033 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 2 ILE MD 1 86 ILE MG . . 7.000 4.819 4.317 5.282 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 2 ILE MD 1 86 ILE QG . . 6.880 2.959 2.195 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 2 ILE MD 1 86 ILE MD . . 5.300 2.386 1.956 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 3 ASN H 1 27 ALA H . . 3.300 3.282 3.072 3.565 0.265 22 0 "[ . 1 . 2 . 3]" 1
38 1 3 ASN H 1 28 ASN QB . . 5.000 3.959 3.430 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 3 ASN HA 1 4 ARG H . . 2.900 2.267 2.208 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 3 ASN HA 1 32 MET ME . . 4.300 3.141 2.732 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 3 ASN QB 1 32 MET ME . . 6.800 4.696 4.372 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 ARG H 1 26 PHE QD . . 7.200 4.490 3.871 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 ARG H 1 32 MET ME . . 6.000 3.449 3.034 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 ARG HA 1 5 THR H . . 2.900 2.176 2.168 2.182 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 ARG HA 1 26 PHE HA . . 3.300 3.439 2.986 3.697 0.397 10 0 "[ . 1 . 2 . 3]" 1
46 1 4 ARG HA 1 26 PHE QD . . 4.900 3.177 2.656 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 4 ARG HA 1 26 PHE QE . . 5.500 3.343 2.952 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 4 ARG HA 1 27 ALA H . . 5.000 5.068 4.630 5.388 0.388 4 0 "[ . 1 . 2 . 3]" 1
49 1 4 ARG QG 1 26 PHE QD . . 8.580 4.297 3.398 5.788 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 4 ARG QG 1 32 MET ME . . 6.500 3.825 2.669 5.366 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 4 ARG QD 1 24 LEU MD2 . . 4.500 2.625 1.829 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 5 THR H 1 5 THR MG . . 3.700 2.056 1.699 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 5 THR H 1 26 PHE HA . . 3.300 3.015 2.500 3.558 0.258 8 0 "[ . 1 . 2 . 3]" 1
54 1 5 THR H 1 26 PHE QD . . 7.200 4.280 3.934 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 5 THR MG 1 8 ASN H . . 4.500 3.686 3.344 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 THR MG 1 12 TYR QD . . 6.500 4.024 3.372 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 THR MG 1 12 TYR QE . . 5.900 4.450 3.763 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 THR MG 1 25 CYS HB2 . . 6.000 1.849 1.563 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 THR MG 1 25 CYS HB3 . . 4.500 2.680 1.774 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 5 THR MG 1 26 PHE HA . . 4.300 2.534 2.114 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 5 THR MG 1 27 ALA H . . 4.300 3.180 2.934 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 5 THR MG 1 27 ALA MB . . 4.700 2.521 2.282 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 5 THR OG1 1 8 ASN ND2 . 2.700 3.200 2.900 2.599 3.166 0.101 26 0 "[ . 1 . 2 . 3]" 1
64 1 5 THR OG1 1 8 ASN HD21 . . 2.400 2.337 1.991 2.623 0.223 8 0 "[ . 1 . 2 . 3]" 1
65 1 5 THR O 1 7 CYS N . 2.700 3.200 3.153 2.993 3.217 0.017 27 0 "[ . 1 . 2 . 3]" 1
66 1 5 THR O 1 7 CYS H . . 2.400 2.392 2.170 2.551 0.151 26 0 "[ . 1 . 2 . 3]" 1
67 1 5 THR O 1 25 CYS N . 2.700 3.200 3.145 2.954 3.357 0.157 25 0 "[ . 1 . 2 . 3]" 1
68 1 5 THR O 1 25 CYS H . . 2.400 2.452 2.288 2.661 0.261 25 0 "[ . 1 . 2 . 3]" 1
69 1 7 CYS HA 1 8 ASN H . . 2.900 2.232 2.165 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 7 CYS HA 1 12 TYR QD . . 5.500 3.722 3.046 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 7 CYS HA 1 12 TYR QE . . 7.200 4.500 2.190 5.607 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 7 CYS HA 1 25 CYS HB2 . . 5.000 3.249 2.972 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 7 CYS CB 1 25 CYS SG . 3.000 3.100 3.205 2.929 3.365 0.265 13 0 "[ . 1 . 2 . 3]" 1
74 1 7 CYS HB2 1 8 ASN H . . 5.500 4.170 3.786 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 7 CYS HB3 1 8 ASN H . . 5.500 4.048 3.423 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 7 CYS QB 1 8 ASN H . . 5.180 3.639 3.188 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 7 CYS QB 1 12 TYR QD . . 6.380 4.409 3.533 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 7 CYS SG 1 25 CYS CB . 3.000 3.100 3.303 3.027 3.481 0.381 15 0 "[ . 1 . 2 . 3]" 1
79 1 7 CYS SG 1 25 CYS SG . . 2.100 2.102 1.761 2.383 0.283 28 0 "[ . 1 . 2 . 3]" 1
80 1 8 ASN H 1 8 ASN HD22 . . 3.300 3.143 2.661 3.597 0.297 6 0 "[ . 1 . 2 . 3]" 1
81 1 8 ASN H 1 12 TYR QD . . 7.200 3.906 2.624 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 8 ASN H 1 12 TYR QE . . 5.500 3.822 2.570 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 9 GLU QG 1 12 TYR QE . . 6.300 3.754 2.004 5.329 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 11 SER HA 1 12 TYR H . . 3.300 2.494 2.193 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 11 SER HA 1 45 GLY QA . . 5.800 2.190 1.575 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 11 SER HA 1 46 ASN H . . 5.000 3.373 2.672 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 11 SER HA 1 70 TRP HZ3 . . 3.300 2.857 2.359 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 11 SER HA 1 70 TRP HZ2 . . 5.500 5.755 5.436 6.046 0.546 12 1 "[ . 1 + . 2 . 3]" 1
89 1 11 SER HA 1 70 TRP HH2 . . 3.300 3.979 3.862 4.151 0.851 12 30 [**-********+******************] 1
90 1 11 SER HB2 1 46 ASN H . . 5.000 2.692 1.778 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 11 SER HB2 1 46 ASN HB2 . . 6.750 4.237 3.051 5.639 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 11 SER HB2 1 46 ASN HB3 . . 6.750 3.711 2.772 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 11 SER HB2 1 70 TRP HZ3 . . 5.000 3.585 2.531 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 11 SER HB2 1 70 TRP HZ2 . . 5.000 4.490 3.653 5.268 0.268 26 0 "[ . 1 . 2 . 3]" 1
95 1 11 SER HB2 1 70 TRP HH2 . . 3.300 3.192 2.449 3.637 0.337 24 0 "[ . 1 . 2 . 3]" 1
96 1 11 SER HB3 1 46 ASN H . . 5.000 4.122 2.347 5.109 0.109 22 0 "[ . 1 . 2 . 3]" 1
97 1 11 SER HB3 1 46 ASN HB2 . . 6.750 5.422 3.786 6.698 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 11 SER HB3 1 46 ASN HB3 . . 6.750 4.907 3.578 6.070 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 11 SER HB3 1 70 TRP HZ3 . . 5.000 3.798 3.021 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 11 SER HB3 1 70 TRP HZ2 . . 5.000 5.021 3.697 5.693 0.693 24 4 "[ . 1 -. 2 * +. * 3]" 1
101 1 11 SER HB3 1 70 TRP HH2 . . 3.300 3.178 2.310 3.660 0.360 14 0 "[ . 1 . 2 . 3]" 1
102 1 11 SER QB 1 46 ASN QB . . 5.810 3.345 2.610 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 12 TYR H 1 12 TYR HB2 . . 3.300 3.067 2.733 3.675 0.375 26 0 "[ . 1 . 2 . 3]" 1
104 1 12 TYR HA 1 13 LEU H . . 2.900 2.608 2.397 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 12 TYR HA 1 27 ALA MB . . 6.500 4.935 4.648 5.204 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 12 TYR HA 1 47 ASN HD21 . . 5.000 4.153 3.507 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 12 TYR HA 1 47 ASN HD22 . . 3.300 2.904 2.693 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 12 TYR HB2 1 13 LEU H . . 5.000 3.238 1.807 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 12 TYR HB3 1 13 LEU H . . 3.300 2.413 1.975 3.094 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 12 TYR QD 1 13 LEU H . . 7.700 3.301 2.539 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 12 TYR QD 1 13 LEU HB2 . . 7.700 5.722 4.861 6.627 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 12 TYR QD 1 13 LEU HB3 . . 7.700 4.978 4.228 5.950 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 12 TYR QD 1 25 CYS HB2 . . 7.200 5.528 4.419 6.272 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 12 TYR QD 1 25 CYS HB3 . . 5.500 4.451 2.686 5.283 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 12 TYR QD 1 27 ALA HA . . 7.700 3.277 2.155 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 12 TYR QD 1 27 ALA MB . . 5.900 3.204 2.536 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 12 TYR QE 1 25 CYS HB2 . . 7.700 6.564 3.817 7.481 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 12 TYR QE 1 25 CYS HB3 . . 7.700 5.848 2.579 6.823 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 12 TYR QE 1 27 ALA MB . . 6.500 3.155 2.284 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 12 TYR O 1 45 GLY N . 2.700 3.200 2.990 2.725 3.215 0.015 13 0 "[ . 1 . 2 . 3]" 1
121 1 12 TYR O 1 45 GLY H . . 2.400 1.998 1.723 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 13 LEU N 1 26 PHE O . 2.700 3.200 3.494 3.295 3.704 0.504 3 1 "[ + . 1 . 2 . 3]" 1
123 1 13 LEU H 1 13 LEU HB2 . . 3.300 3.079 2.992 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 13 LEU H 1 13 LEU HB3 . . 3.300 2.203 2.152 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 13 LEU H 1 13 LEU MD2 . . 4.800 3.950 3.752 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 13 LEU H 1 26 PHE H . . 5.000 3.766 3.451 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 13 LEU H 1 26 PHE O . . 2.400 2.641 2.502 2.851 0.451 3 0 "[ . 1 . 2 . 3]" 1
128 1 13 LEU HA 1 13 LEU MD1 . . 4.300 2.597 2.385 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 13 LEU HA 1 14 GLU H . . 2.900 2.191 2.165 2.216 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 13 LEU HA 1 44 SER HA . . 3.300 2.405 2.236 2.567 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 13 LEU MD1 1 14 GLU H . . 3.700 2.547 2.161 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 13 LEU MD1 1 26 PHE QD . . 6.500 4.119 3.771 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 13 LEU MD1 1 42 VAL MG1 . . 5.300 1.839 1.445 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 13 LEU MD1 1 42 VAL MG2 . . 7.000 3.440 3.127 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 13 LEU MD1 1 44 SER HA . . 3.900 3.291 3.126 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 13 LEU MD1 1 44 SER HB2 . . 6.000 4.724 4.218 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 13 LEU MD1 1 44 SER HB3 . . 6.000 3.909 3.597 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 13 LEU MD1 1 49 VAL QG . . 5.900 2.672 2.090 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 13 LEU MD2 1 14 GLU H . . 6.500 4.383 4.179 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 13 LEU MD2 1 27 ALA H . . 6.500 5.334 5.029 5.536 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 13 LEU MD2 1 42 VAL MG1 . . 7.500 3.707 3.365 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 13 LEU MD2 1 49 VAL QG . . 6.500 2.039 1.821 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 13 LEU QD 1 49 VAL QG . . 7.100 1.963 1.804 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 13 LEU O 1 26 PHE N . 2.700 3.200 2.832 2.696 2.987 0.004 18 0 "[ . 1 . 2 . 3]" 1
145 1 13 LEU O 1 26 PHE H . . 2.400 1.878 1.733 2.058 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 14 GLU N 1 43 GLU O . 2.700 3.200 3.189 3.028 3.329 0.129 16 0 "[ . 1 . 2 . 3]" 1
147 1 14 GLU H 1 14 GLU HB2 . . 3.300 2.876 2.731 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 14 GLU H 1 43 GLU H . . 5.000 2.592 1.933 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 14 GLU H 1 43 GLU O . . 2.400 2.257 2.068 2.451 0.051 16 0 "[ . 1 . 2 . 3]" 1
150 1 14 GLU H 1 44 SER HA . . 5.000 3.923 3.666 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 14 GLU HA 1 15 ILE H . . 2.900 2.208 2.159 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 14 GLU HA 1 23 THR MG . . 6.000 3.694 3.379 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 14 GLU HA 1 25 CYS HA . . 3.300 2.294 2.119 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 14 GLU HA 1 26 PHE H . . 5.500 3.340 3.074 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 14 GLU HB2 1 16 HIS HD2 . . 5.000 4.470 4.305 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 14 GLU HB2 1 23 THR MG . . 4.300 3.648 3.451 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 14 GLU HB3 1 16 HIS HD2 . . 5.000 4.983 4.706 5.089 0.089 4 0 "[ . 1 . 2 . 3]" 1
158 1 14 GLU HB3 1 23 THR MG . . 4.300 2.547 2.325 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 14 GLU QG 1 23 THR MG . . 6.880 3.817 3.399 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 14 GLU O 1 43 GLU N . 2.700 3.200 2.538 2.431 2.621 0.269 3 0 "[ . 1 . 2 . 3]" 1
161 1 14 GLU O 1 43 GLU H . . 2.400 1.636 1.468 1.745 0.232 3 0 "[ . 1 . 2 . 3]" 1
162 1 15 ILE N 1 24 LEU O . 2.700 3.200 3.039 2.851 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 15 ILE H 1 15 ILE HB . . 3.300 2.679 2.515 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 15 ILE H 1 15 ILE QG . . 4.180 2.600 2.185 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 15 ILE H 1 23 THR MG . . 6.000 3.065 2.653 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 15 ILE H 1 24 LEU H . . 5.000 2.515 2.283 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 15 ILE H 1 24 LEU O . . 2.400 2.110 1.915 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 15 ILE H 1 25 CYS HA . . 5.000 3.837 3.632 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 15 ILE HA 1 16 HIS H . . 2.900 2.164 2.162 2.170 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 15 ILE HA 1 16 HIS HD2 . . 5.000 3.439 3.197 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 15 ILE HA 1 42 VAL HA . . 5.000 2.201 2.069 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 15 ILE HA 1 42 VAL MG1 . . 6.000 3.131 2.837 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 15 ILE HA 1 42 VAL MG2 . . 4.300 2.096 1.682 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 15 ILE HA 1 43 GLU H . . 5.000 3.333 3.128 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 15 ILE HB 1 24 LEU H . . 5.500 3.631 3.518 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 15 ILE HB 1 24 LEU HB2 . . 5.000 3.086 2.897 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 15 ILE HB 1 24 LEU HB3 . . 5.500 4.842 4.655 5.291 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 15 ILE HB 1 24 LEU HG . . 5.000 4.678 4.486 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 15 ILE MG 1 24 LEU MD1 . . 7.000 2.959 2.667 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 15 ILE MG 1 36 ILE MG . . 5.300 1.937 1.770 2.177 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 15 ILE MG 1 36 ILE MD . . 7.000 2.783 2.519 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 15 ILE MG 1 39 VAL MG1 . . 5.300 2.462 2.295 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 15 ILE MG 1 39 VAL MG2 . . 4.700 2.891 2.717 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 15 ILE MG 1 42 VAL MG2 . . 5.300 1.743 1.597 1.893 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 15 ILE HG12 1 42 VAL QG . . 7.700 1.581 1.492 1.808 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 15 ILE HG13 1 42 VAL QG . . 7.700 2.488 2.213 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 15 ILE QG 1 42 VAL QG . . 7.400 1.563 1.473 1.790 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 15 ILE MD 1 24 LEU MD1 . . 5.300 3.137 2.992 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 15 ILE MD 1 36 ILE MG . . 7.500 3.544 3.318 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 15 ILE MD 1 36 ILE MD . . 5.300 1.859 1.621 2.169 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 15 ILE MD 1 39 VAL MG2 . . 7.000 4.446 4.278 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 15 ILE MD 1 42 VAL MG1 . . 5.300 3.217 3.045 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 15 ILE MD 1 42 VAL MG2 . . 5.300 2.932 2.731 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 15 ILE MD 1 51 LEU MD1 . . 7.000 2.111 1.914 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 15 ILE MD 1 51 LEU MD2 . . 5.300 2.294 2.024 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 15 ILE MD 1 84 ILE MG . . 7.000 3.631 3.302 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 15 ILE MD 1 84 ILE MD . . 5.300 2.187 2.020 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 15 ILE O 1 24 LEU N . 2.700 3.200 2.861 2.768 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 15 ILE O 1 24 LEU H . . 2.400 2.026 1.901 2.209 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 16 HIS N 1 41 TRP O . 2.700 3.200 3.152 3.082 3.221 0.021 24 0 "[ . 1 . 2 . 3]" 1
201 1 16 HIS H 1 16 HIS HD2 . . 3.300 2.367 2.202 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 16 HIS H 1 17 ASN H . . 5.500 4.096 4.071 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 16 HIS H 1 41 TRP H . . 5.500 3.588 3.187 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 16 HIS H 1 41 TRP O . . 2.400 2.159 2.082 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 16 HIS H 1 42 VAL HA . . 3.300 3.150 3.001 3.448 0.148 29 0 "[ . 1 . 2 . 3]" 1
206 1 16 HIS HA 1 17 ASN H . . 3.300 2.203 2.196 2.212 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 16 HIS HA 1 23 THR HA . . 3.300 2.089 2.020 2.252 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 16 HIS HA 1 24 LEU H . . 5.500 3.732 3.645 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 16 HIS HD2 1 23 THR MG . . 6.000 3.843 3.594 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 16 HIS HD2 1 41 TRP HD1 . . 5.500 2.608 2.251 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 16 HIS HD2 1 41 TRP HE1 . . 5.000 4.614 4.195 4.812 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 16 HIS HD2 1 42 VAL HA . . 3.300 3.221 3.046 3.314 0.014 29 0 "[ . 1 . 2 . 3]" 1
213 1 16 HIS HD2 1 43 GLU H . . 5.000 4.015 3.595 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 16 HIS HD2 1 43 GLU HG2 . . 5.500 4.420 3.244 5.574 0.074 15 0 "[ . 1 . 2 . 3]" 1
215 1 16 HIS HD2 1 43 GLU HG3 . . 5.500 3.713 2.967 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 16 HIS HE1 1 40 ASN HB2 . . 5.000 3.353 2.559 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 16 HIS HE1 1 40 ASN HB3 . . 5.000 3.519 3.001 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 16 HIS HE1 1 40 ASN QB . . 4.140 2.997 2.495 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 16 HIS HE1 1 41 TRP HA . . 5.000 4.585 4.516 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 16 HIS HE1 1 41 TRP HB2 . . 5.000 2.874 2.722 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 16 HIS HE1 1 41 TRP HB3 . . 5.000 1.775 1.668 1.904 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 17 ASN N 1 22 ASP O . 2.700 3.200 3.309 3.074 3.389 0.189 13 0 "[ . 1 . 2 . 3]" 1
223 1 17 ASN H 1 17 ASN HB3 . . 3.300 2.959 2.921 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 17 ASN H 1 22 ASP H . . 5.000 3.589 3.505 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 17 ASN H 1 22 ASP HB2 . . 5.500 4.204 4.021 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 17 ASN H 1 22 ASP O . . 2.400 2.446 2.352 2.506 0.106 13 0 "[ . 1 . 2 . 3]" 1
227 1 17 ASN H 1 23 THR HA . . 3.500 3.659 3.605 3.721 0.221 28 0 "[ . 1 . 2 . 3]" 1
228 1 17 ASN H 1 36 ILE QG . . 5.880 4.899 4.747 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 17 ASN HA 1 18 ASN H . . 3.300 2.704 2.672 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 17 ASN HA 1 20 GLY H . . 5.000 3.612 3.410 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 17 ASN HA 1 39 VAL H . . 5.500 4.923 4.762 5.139 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 17 ASN HA 1 39 VAL HA . . 3.300 2.701 2.554 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 17 ASN HA 1 40 ASN H . . 3.300 2.301 2.197 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 17 ASN HA 1 41 TRP H . . 5.000 3.898 3.710 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 17 ASN HB2 1 18 ASN H . . 3.300 1.953 1.915 1.986 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 17 ASN HB2 1 39 VAL HA . . 5.500 3.189 3.071 3.348 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 17 ASN HB2 1 39 VAL MG1 . . 6.000 4.922 4.870 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 17 ASN HB2 1 39 VAL MG2 . . 6.000 3.779 3.531 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 17 ASN HB2 1 40 ASN H . . 5.500 4.219 4.064 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 17 ASN HB3 1 18 ASN H . . 5.000 3.493 3.450 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 17 ASN HB3 1 39 VAL HA . . 5.500 2.345 2.203 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 17 ASN HB3 1 39 VAL MG1 . . 6.000 3.786 3.678 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 17 ASN HB3 1 39 VAL MG2 . . 6.000 2.951 2.729 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 17 ASN HB3 1 40 ASN H . . 5.000 3.671 3.513 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 17 ASN HD21 1 18 ASN H . . 5.000 4.466 4.031 5.128 0.128 17 0 "[ . 1 . 2 . 3]" 1
246 1 17 ASN HD21 1 37 TYR H . . 5.000 3.004 2.075 5.117 0.117 26 0 "[ . 1 . 2 . 3]" 1
247 1 17 ASN HD21 1 39 VAL QG . . 7.200 3.841 3.594 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 17 ASN HD22 1 18 ASN H . . 5.500 5.179 4.920 5.490 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 17 ASN HD22 1 37 TYR H . . 5.000 3.401 2.702 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 17 ASN HD22 1 39 VAL QG . . 7.200 5.003 4.875 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 17 ASN O 1 21 ARG N . 2.700 3.200 2.882 2.744 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 17 ASN O 1 21 ARG H . . 2.400 1.905 1.762 2.115 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 18 ASN N 1 38 GLY O . 2.700 3.200 2.788 2.650 2.995 0.050 20 0 "[ . 1 . 2 . 3]" 1
254 1 18 ASN H 1 18 ASN HA . . 2.700 2.289 2.287 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 18 ASN H 1 18 ASN QB . . 3.680 3.197 3.143 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 18 ASN H 1 19 GLU H . . 5.000 2.678 2.626 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 18 ASN H 1 38 GLY O . . 2.400 1.940 1.801 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 18 ASN H 1 39 VAL HA . . 5.500 4.243 4.125 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 18 ASN HA 1 19 GLU H . . 3.300 2.918 2.807 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 18 ASN QB 1 22 ASP HB2 . . 6.380 3.557 3.325 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 18 ASN QB 1 22 ASP HB3 . . 6.380 5.163 4.933 5.442 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 18 ASN HD21 1 22 ASP HB2 . . 3.300 2.875 2.325 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 18 ASN HD21 1 22 ASP HB3 . . 5.000 4.548 4.020 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 19 GLU H 1 19 GLU HA . . 2.700 2.290 2.287 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 19 GLU H 1 19 GLU HG2 . . 5.000 3.538 3.207 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 19 GLU H 1 19 GLU HG3 . . 5.000 2.898 2.766 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 19 GLU H 1 20 GLY H . . 5.000 2.692 2.551 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 19 GLU H 1 40 ASN QD . . 5.000 2.366 1.783 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 19 GLU HA 1 20 GLY H . . 3.300 2.887 2.337 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 19 GLU HA 1 40 ASN QD . . 3.300 3.076 2.644 3.404 0.104 10 0 "[ . 1 . 2 . 3]" 1
271 1 19 GLU QG 1 40 ASN H . . 6.300 6.076 5.993 6.123 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 19 GLU QG 1 40 ASN QD . . 5.800 2.724 2.219 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 20 GLY H 1 21 ARG H . . 3.300 2.478 1.995 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 20 GLY HA2 1 21 ARG H . . 3.300 2.830 2.796 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 20 GLY HA2 1 22 ASP H . . 5.000 4.084 3.844 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 21 ARG H 1 21 ARG HB2 . . 3.300 2.622 2.405 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 21 ARG H 1 21 ARG HB3 . . 3.300 2.637 2.233 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 21 ARG H 1 21 ARG QD . . 5.800 4.249 4.106 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 21 ARG H 1 22 ASP H . . 2.900 2.240 2.151 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 21 ARG QD 1 22 ASP H . . 4.100 3.472 3.073 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 22 ASP HA 1 23 THR H . . 2.900 2.177 2.165 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 22 ASP HB2 1 23 THR H . . 5.000 4.415 4.164 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 22 ASP HB3 1 23 THR H . . 3.500 3.528 3.005 3.650 0.150 30 0 "[ . 1 . 2 . 3]" 1
284 1 23 THR HA 1 24 LEU H . . 2.900 2.297 2.267 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 24 LEU H 1 24 LEU HB2 . . 3.300 2.923 2.901 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 24 LEU HA 1 25 CYS H . . 2.900 2.168 2.161 2.179 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 24 LEU HB2 1 25 CYS H . . 5.000 4.239 4.148 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 24 LEU HB2 1 26 PHE QD . . 5.500 3.842 3.542 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 24 LEU HB2 1 26 PHE QE . . 5.500 2.406 2.042 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 24 LEU HB2 1 26 PHE HZ . . 3.300 3.634 3.360 3.729 0.429 15 0 "[ . 1 . 2 . 3]" 1
291 1 24 LEU HB3 1 25 CYS H . . 5.000 3.706 3.566 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 24 LEU HB3 1 26 PHE HZ . . 3.300 3.210 3.058 3.320 0.020 13 0 "[ . 1 . 2 . 3]" 1
293 1 24 LEU QD 1 26 PHE QE . . 7.100 2.978 2.695 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 24 LEU QD 1 26 PHE HZ . . 4.900 3.090 2.940 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 25 CYS H 1 25 CYS HB2 . . 3.300 2.638 2.252 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 25 CYS H 1 26 PHE QE . . 7.700 5.389 4.787 5.547 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 25 CYS HA 1 26 PHE H . . 2.900 2.170 2.164 2.229 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 25 CYS HA 1 26 PHE QD . . 5.500 4.017 3.237 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 26 PHE HA 1 27 ALA H . . 2.900 2.300 2.198 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 26 PHE HB2 1 27 ALA H . . 5.000 3.956 3.808 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 26 PHE HB3 1 27 ALA H . . 3.300 2.808 2.631 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 26 PHE QB 1 86 ILE MD . . 5.100 2.506 2.201 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 26 PHE QD 1 27 ALA H . . 5.500 3.688 3.578 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 26 PHE QD 1 32 MET ME . . 6.500 2.466 2.125 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 26 PHE QD 1 84 ILE MD . . 6.500 2.687 2.282 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 26 PHE QE 1 32 MET ME . . 5.900 1.811 1.544 1.962 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 26 PHE QE 1 34 VAL MG1 . . 5.900 3.041 2.493 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 26 PHE QE 1 36 ILE MD . . 6.500 2.775 2.526 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 26 PHE QE 1 84 ILE MG . . 8.200 4.177 4.003 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 26 PHE QE 1 84 ILE MD . . 6.500 2.353 1.946 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 26 PHE HZ 1 32 MET ME . . 4.300 3.360 3.215 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 26 PHE HZ 1 34 VAL MG1 . . 3.700 2.959 2.797 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 26 PHE HZ 1 36 ILE MD . . 4.300 3.325 3.016 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 26 PHE HZ 1 84 ILE MD . . 4.300 2.922 2.678 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 27 ALA HA 1 28 ASN H . . 2.900 2.551 2.518 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 27 ALA HA 1 86 ILE MG . . 6.500 4.319 3.927 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 27 ALA HA 1 86 ILE MD . . 4.300 3.526 3.249 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 27 ALA MB 1 28 ASN H . . 3.700 2.259 2.160 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 27 ALA MB 1 86 ILE MD . . 7.500 4.314 4.145 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 28 ASN H 1 28 ASN HA . . 2.700 2.292 2.289 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 28 ASN H 1 29 ALA H . . 5.500 4.219 4.120 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 28 ASN HA 1 29 ALA H . . 2.900 2.251 2.227 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 28 ASN QB 1 29 ALA H . . 2.900 2.926 2.888 2.967 0.067 26 0 "[ . 1 . 2 . 3]" 1
324 1 29 ALA H 1 30 GLY H . . 5.500 2.675 2.651 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 29 ALA H 1 86 ILE MG . . 6.000 3.469 3.308 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 29 ALA HA 1 30 GLY H . . 3.300 3.366 3.317 3.402 0.102 5 0 "[ . 1 . 2 . 3]" 1
327 1 29 ALA HA 1 86 ILE H . . 5.000 4.424 4.293 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 29 ALA HA 1 86 ILE HB . . 3.300 2.061 1.932 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 29 ALA HA 1 86 ILE MG . . 3.700 1.386 1.134 2.054 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 29 ALA HA 1 86 ILE MD . . 6.500 3.183 2.961 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 29 ALA MB 1 86 ILE MG . . 5.500 2.907 2.748 3.287 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 29 ALA MB 1 87 TYR HA . . 6.000 3.523 3.240 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 30 GLY H 1 86 ILE H . . 5.000 5.500 5.365 5.733 0.733 17 13 "[* . *1- * . + 2* **.*****]" 1
334 1 30 GLY H 1 86 ILE HB . . 3.800 3.567 3.443 3.835 0.035 24 0 "[ . 1 . 2 . 3]" 1
335 1 30 GLY H 1 86 ILE MG . . 6.000 3.920 3.776 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 30 GLY HA2 1 31 THR H . . 2.900 2.359 2.326 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 30 GLY O 1 86 ILE N . 2.700 3.200 3.296 3.137 3.595 0.395 24 0 "[ . 1 . 2 . 3]" 1
338 1 30 GLY O 1 86 ILE H . . 2.400 2.602 2.395 2.923 0.523 24 1 "[ . 1 . 2 +. 3]" 1
339 1 31 THR HA 1 32 MET H . . 2.900 2.162 2.161 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 31 THR HA 1 85 ARG HA . . 3.300 2.499 2.363 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 31 THR HA 1 86 ILE H . . 5.000 2.931 2.766 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 31 THR HB 1 32 MET H . . 5.000 4.410 4.377 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 31 THR MG 1 32 MET H . . 3.900 2.841 2.603 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 31 THR MG 1 32 MET HA . . 6.500 3.369 3.280 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 31 THR MG 1 83 SER QB . . 6.800 4.328 4.202 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 31 THR MG 1 85 ARG HA . . 6.000 1.556 1.503 1.835 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 31 THR OG1 1 86 ILE N . 2.700 3.200 2.833 2.750 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 31 THR OG1 1 86 ILE H . . 2.400 1.932 1.837 2.012 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 32 MET N 1 84 ILE O . 2.700 3.200 2.827 2.722 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 32 MET H 1 84 ILE H . . 3.500 3.344 3.221 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 32 MET H 1 84 ILE MG . . 6.500 3.472 3.264 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 32 MET H 1 84 ILE O . . 2.400 2.128 2.008 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 32 MET H 1 85 ARG HA . . 5.000 3.768 3.610 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 32 MET HA 1 33 PRO HD2 . . 3.300 2.394 2.316 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 32 MET HA 1 33 PRO HD3 . . 3.300 2.298 2.268 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 32 MET QB 1 33 PRO HD2 . . 5.800 1.848 1.795 1.989 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 32 MET QB 1 33 PRO HD3 . . 5.800 3.234 3.189 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 32 MET QG 1 34 VAL MG1 . . 5.100 2.207 2.085 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 32 MET ME 1 34 VAL HA . . 6.000 4.310 3.996 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 32 MET ME 1 34 VAL MG1 . . 4.700 2.143 1.834 2.396 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 32 MET ME 1 84 ILE MD . . 7.000 3.344 3.093 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 32 MET O 1 84 ILE N . 2.700 3.200 2.598 2.460 2.796 0.240 22 0 "[ . 1 . 2 . 3]" 1
363 1 32 MET O 1 84 ILE H . . 2.400 1.633 1.478 1.851 0.222 22 0 "[ . 1 . 2 . 3]" 1
364 1 33 PRO HA 1 34 VAL H . . 2.900 2.192 2.181 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 33 PRO HA 1 83 SER HA . . 3.300 1.735 1.579 1.883 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 33 PRO HA 1 83 SER QB . . 4.100 2.247 2.014 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 33 PRO HA 1 84 ILE H . . 5.000 2.745 2.604 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 34 VAL N 1 82 LEU O . 2.700 3.200 2.672 2.384 2.789 0.316 25 0 "[ . 1 . 2 . 3]" 1
369 1 34 VAL H 1 34 VAL MG2 . . 3.700 2.264 2.056 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 34 VAL H 1 82 LEU HA . . 5.000 4.401 4.082 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 34 VAL H 1 82 LEU O . . 2.400 2.123 1.738 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 34 VAL H 1 83 SER HA . . 3.300 1.054 0.954 1.283 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 34 VAL HA 1 35 ALA H . . 2.900 2.397 2.366 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 34 VAL HA 1 36 ILE QG . . 6.380 5.486 5.420 5.584 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 34 VAL HB 1 35 ALA H . . 2.900 2.626 2.587 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 34 VAL HB 1 36 ILE H . . 5.500 5.287 5.193 5.428 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 34 VAL HB 1 36 ILE HG12 . . 6.000 5.203 5.066 5.326 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 34 VAL HB 1 36 ILE HG13 . . 6.000 4.084 3.968 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 34 VAL HB 1 36 ILE QG . . 5.690 3.943 3.841 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 34 VAL HB 1 36 ILE MD . . 4.300 2.667 2.338 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 34 VAL MG1 1 35 ALA H . . 6.000 3.957 3.904 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 34 VAL MG1 1 36 ILE QG . . 7.380 5.033 4.961 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 34 VAL MG1 1 36 ILE MD . . 5.300 3.559 3.467 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 34 VAL MG1 1 81 ILE MG . . 7.500 3.500 3.310 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 34 VAL MG1 1 83 SER HA . . 6.500 2.958 2.603 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 34 VAL MG1 1 84 ILE MD . . 4.700 1.750 1.213 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 34 VAL MG2 1 35 ALA H . . 4.300 3.268 3.056 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 34 VAL MG2 1 36 ILE H . . 4.800 3.708 3.471 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 34 VAL MG2 1 36 ILE HB . . 6.500 3.695 3.547 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 34 VAL MG2 1 36 ILE HG12 . . 6.000 4.434 4.222 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 34 VAL MG2 1 36 ILE HG13 . . 6.000 3.737 3.486 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 34 VAL MG2 1 36 ILE MD . . 4.700 1.933 1.806 2.119 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 34 VAL MG2 1 81 ILE MG . . 4.700 1.167 0.912 1.377 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 34 VAL MG2 1 82 LEU HA . . 6.500 4.513 4.333 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 34 VAL MG2 1 83 SER H . . 6.000 3.400 3.237 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 34 VAL MG2 1 83 SER HA . . 4.300 2.515 2.281 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 34 VAL MG2 1 83 SER QB . . 6.800 4.127 3.998 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 34 VAL MG2 1 84 ILE HG12 . . 6.500 2.702 2.331 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 34 VAL MG2 1 84 ILE HG13 . . 6.500 1.306 0.914 1.686 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 34 VAL MG2 1 84 ILE QG . . 6.190 1.302 0.913 1.677 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 34 VAL MG2 1 84 ILE MD . . 5.300 1.745 1.503 1.963 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 35 ALA H 1 36 ILE H . . 5.500 4.137 4.116 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 35 ALA HA 1 36 ILE H . . 2.900 2.171 2.169 2.174 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 35 ALA HA 1 37 TYR QD . . 7.200 5.081 4.895 5.249 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 35 ALA HA 1 37 TYR QE . . 7.200 4.249 3.981 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 35 ALA HA 1 82 LEU HA . . 5.000 3.557 3.398 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 35 ALA HA 1 82 LEU MD2 . . 6.500 3.699 3.516 3.821 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 35 ALA MB 1 37 TYR QD . . 8.200 3.621 3.353 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 35 ALA MB 1 37 TYR QE . . 5.900 2.184 1.960 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 35 ALA MB 1 82 LEU HA . . 6.500 4.082 3.946 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 35 ALA MB 1 82 LEU MD2 . . 7.500 4.071 3.973 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 36 ILE H 1 37 TYR H . . 5.500 4.120 4.100 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 36 ILE H 1 81 ILE H . . 3.300 1.067 0.915 1.215 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 36 ILE HA 1 37 TYR H . . 2.900 2.174 2.171 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 36 ILE HB 1 39 VAL MG2 . . 6.000 3.237 3.044 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 36 ILE HB 1 81 ILE HB . . 2.700 2.012 1.880 2.117 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 36 ILE MG 1 37 TYR H . . 4.300 3.000 2.865 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 36 ILE MG 1 39 VAL MG2 . . 4.700 1.843 1.620 2.029 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 36 ILE MG 1 81 ILE HA . . 6.500 4.581 4.457 4.716 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 36 ILE MG 1 81 ILE HB . . 4.300 3.686 3.610 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 36 ILE MG 1 81 ILE MD . . 7.000 2.933 2.773 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 36 ILE MD 1 81 ILE HB . . 6.500 2.066 1.623 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 36 ILE MD 1 81 ILE MG . . 5.300 1.809 1.471 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 36 ILE MD 1 84 ILE MD . . 5.300 2.304 2.084 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 36 ILE O 1 81 ILE N . 2.700 3.200 2.216 1.975 2.338 0.725 29 11 "[ * . * 1* * . * 2* * .*- +*]" 1
426 1 36 ILE O 1 81 ILE H . . 2.400 1.883 1.646 2.013 0.054 17 0 "[ . 1 . 2 . 3]" 1
427 1 37 TYR HA 1 38 GLY H . . 2.900 2.216 2.191 2.252 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 37 TYR HA 1 80 GLU HA . . 3.300 1.538 1.273 1.696 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 37 TYR HA 1 81 ILE H . . 5.000 3.640 3.449 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 37 TYR HB2 1 38 GLY H . . 5.500 4.073 3.889 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 37 TYR HB3 1 38 GLY H . . 3.300 3.125 2.971 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 37 TYR QD 1 38 GLY H . . 5.500 4.294 3.709 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 37 TYR QD 1 57 LEU QD . . 9.400 4.400 4.138 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 37 TYR QD 1 79 HIS HA . . 7.700 3.301 2.533 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 37 TYR QD 1 79 HIS HE1 . . 7.200 3.018 2.531 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 37 TYR QD 1 80 GLU HA . . 5.500 3.087 2.910 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 37 TYR QD 1 80 GLU HB2 . . 7.200 1.594 1.205 2.074 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 37 TYR QD 1 80 GLU HB3 . . 7.200 2.951 2.636 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 37 TYR QD 1 80 GLU QB . . 6.350 1.587 1.204 2.057 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 37 TYR QE 1 57 LEU QD . . 9.900 3.194 2.873 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 37 TYR QE 1 79 HIS HE1 . . 7.200 1.980 1.595 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 37 TYR QE 1 80 GLU HA . . 7.200 4.126 3.925 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 37 TYR QE 1 80 GLU HB2 . . 7.200 2.161 1.927 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 37 TYR QE 1 80 GLU HB3 . . 7.200 2.256 1.887 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 37 TYR QE 1 80 GLU QB . . 6.350 1.955 1.698 2.194 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 38 GLY N 1 78 ILE O . 2.700 3.200 1.613 1.404 1.734 1.296 29 30 [**********-*****************+*] 1
447 1 38 GLY H 1 39 VAL H . . 3.300 2.713 2.608 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 38 GLY H 1 78 ILE O . . 2.400 0.727 0.609 0.956 1.091 19 30 [**********-*******+***********] 1
449 1 38 GLY H 1 79 HIS HA . . 5.000 3.162 3.001 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 38 GLY H 1 80 GLU HA . . 5.500 3.664 3.347 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 38 GLY HA2 1 39 VAL H . . 3.300 2.580 2.504 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 38 GLY HA2 1 77 HIS HE1 . . 3.300 3.130 2.740 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 38 GLY HA3 1 77 HIS HE1 . . 5.000 3.413 3.197 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 39 VAL H 1 39 VAL HB . . 3.300 2.479 2.327 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 39 VAL H 1 78 ILE H . . 5.000 0.896 0.640 1.143 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 39 VAL H 1 78 ILE HB . . 3.300 1.828 1.541 1.996 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 39 VAL H 1 78 ILE MG . . 6.000 3.405 3.199 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 39 VAL HA 1 40 ASN H . . 2.900 2.165 2.163 2.169 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 39 VAL HA 1 41 TRP H . . 5.000 3.826 3.719 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 39 VAL HB 1 40 ASN H . . 6.000 4.329 4.250 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 39 VAL HB 1 78 ILE HB . . 3.300 2.007 1.792 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 39 VAL HB 1 78 ILE MG . . 6.000 3.146 3.055 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 39 VAL MG1 1 42 VAL MG2 . . 5.300 2.237 2.168 2.352 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 39 VAL MG1 1 78 ILE HB . . 6.500 3.432 3.313 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 39 VAL MG1 1 78 ILE MG . . 7.500 3.900 3.824 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 39 VAL MG1 1 78 ILE QG . . 6.500 2.279 2.138 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 39 VAL MG1 1 78 ILE MD . . 7.500 3.491 3.388 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 39 VAL MG1 1 81 ILE MD . . 5.300 3.266 2.941 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 39 VAL MG2 1 42 VAL MG2 . . 7.500 3.670 3.498 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 39 VAL MG2 1 78 ILE HB . . 6.500 1.338 1.115 1.672 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 39 VAL MG2 1 78 ILE MG . . 7.500 2.364 2.048 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 39 VAL MG2 1 78 ILE HG12 . . 6.500 3.354 3.124 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 39 VAL MG2 1 78 ILE HG13 . . 6.500 2.370 2.159 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 39 VAL MG2 1 78 ILE MD . . 7.500 3.274 2.946 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 39 VAL MG2 1 81 ILE HB . . 6.500 4.718 4.639 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 39 VAL MG2 1 81 ILE QG . . 5.180 2.559 2.477 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 39 VAL MG2 1 81 ILE MD . . 4.700 2.148 1.930 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 39 VAL QG 1 40 ASN H . . 5.100 2.772 2.460 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 39 VAL O 1 78 ILE N . 2.700 3.200 3.069 2.914 3.217 0.017 22 0 "[ . 1 . 2 . 3]" 1
480 1 39 VAL O 1 78 ILE H . . 2.400 2.567 2.387 2.761 0.361 22 0 "[ . 1 . 2 . 3]" 1
481 1 40 ASN H 1 41 TRP H . . 2.900 2.133 2.101 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 40 ASN HA 1 40 ASN QD . . 3.300 2.647 2.445 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 40 ASN QD 1 77 HIS HA . . 5.000 2.364 1.894 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 40 ASN QD 1 77 HIS HB2 . . 5.500 2.260 1.932 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 40 ASN QD 1 77 HIS HB3 . . 5.500 3.696 3.415 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 40 ASN QD 1 77 HIS QB . . 5.180 2.239 1.922 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 41 TRP HA 1 42 VAL H . . 2.900 2.302 2.270 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 41 TRP HA 1 42 VAL MG2 . . 6.000 3.816 3.693 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 41 TRP HA 1 74 ASN HA . . 3.300 2.070 1.889 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 41 TRP QB 1 42 VAL H . . 5.800 3.519 3.446 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 41 TRP QB 1 74 ASN HA . . 5.800 2.726 2.380 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 41 TRP HD1 1 42 VAL H . . 5.000 2.624 2.554 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 41 TRP HD1 1 43 GLU H . . 5.500 3.522 3.305 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 41 TRP HD1 1 43 GLU QB . . 5.800 4.577 4.409 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 41 TRP HD1 1 43 GLU HG2 . . 5.000 3.440 2.617 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 41 TRP HD1 1 43 GLU HG3 . . 5.000 3.522 2.639 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 41 TRP HD1 1 43 GLU QG . . 4.140 2.847 2.580 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 41 TRP HE1 1 43 GLU HG2 . . 5.000 2.152 1.746 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 41 TRP HE1 1 43 GLU HG3 . . 5.000 3.062 1.841 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 42 VAL N 1 73 TRP O . 2.700 3.200 2.430 2.161 2.643 0.539 24 1 "[ . 1 . 2 +. 3]" 1
501 1 42 VAL H 1 73 TRP H . . 3.300 1.755 1.595 1.936 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 42 VAL H 1 73 TRP QB . . 6.380 2.256 1.915 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 42 VAL H 1 73 TRP O . . 2.400 1.695 1.432 1.829 0.268 24 0 "[ . 1 . 2 . 3]" 1
504 1 42 VAL HA 1 43 GLU H . . 2.900 2.234 2.187 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 42 VAL HB 1 67 LEU MD1 . . 6.000 3.456 3.218 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 42 VAL HB 1 73 TRP QB . . 4.100 1.556 1.389 1.642 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 42 VAL HB 1 73 TRP HE3 . . 2.700 2.732 2.567 2.919 0.219 16 0 "[ . 1 . 2 . 3]" 1
508 1 42 VAL MG1 1 51 LEU MD1 . . 5.300 1.701 1.586 1.905 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 42 VAL MG1 1 51 LEU MD2 . . 7.000 3.483 3.277 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 42 VAL MG1 1 67 LEU MD1 . . 5.300 1.795 1.657 2.048 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 42 VAL MG1 1 67 LEU MD2 . . 5.300 2.429 2.144 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 42 VAL MG1 1 73 TRP QB . . 7.300 3.019 2.918 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 42 VAL MG1 1 73 TRP HE3 . . 4.300 3.522 3.439 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 42 VAL MG1 1 73 TRP HZ3 . . 6.500 5.082 4.966 5.239 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 42 VAL MG1 1 81 ILE MD . . 7.500 5.023 4.726 5.256 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 42 VAL MG2 1 51 LEU MD1 . . 5.300 2.260 1.932 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 42 VAL MG2 1 51 LEU MD2 . . 7.000 4.020 3.797 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 42 VAL MG2 1 67 LEU MD1 . . 7.500 3.743 3.562 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 42 VAL MG2 1 73 TRP QB . . 5.300 2.620 2.189 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 42 VAL MG2 1 73 TRP HE3 . . 3.700 1.858 1.243 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 42 VAL MG2 1 73 TRP HZ3 . . 6.000 3.352 3.126 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 42 VAL MG2 1 81 ILE MD . . 7.000 3.776 3.571 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 42 VAL O 1 73 TRP N . 2.700 3.200 2.505 2.317 2.633 0.383 29 0 "[ . 1 . 2 . 3]" 1
524 1 42 VAL O 1 73 TRP H . . 2.400 1.685 1.456 1.867 0.244 29 0 "[ . 1 . 2 . 3]" 1
525 1 43 GLU H 1 44 SER H . . 5.500 4.596 4.574 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 43 GLU HA 1 44 SER H . . 2.900 2.365 2.324 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 43 GLU HA 1 72 SER HA . . 3.300 2.527 2.362 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 43 GLU HA 1 72 SER QB . . 5.880 2.904 2.605 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 43 GLU HA 1 73 TRP H . . 5.000 3.899 3.731 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 43 GLU HB2 1 44 SER H . . 5.000 3.870 3.577 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 43 GLU HB3 1 44 SER H . . 3.300 2.649 2.559 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 43 GLU QG 1 72 SER QB . . 6.600 3.405 2.921 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 44 SER N 1 71 GLY O . 2.700 3.200 2.524 2.407 2.737 0.293 17 0 "[ . 1 . 2 . 3]" 1
534 1 44 SER H 1 44 SER HB2 . . 3.300 3.045 2.857 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 44 SER H 1 45 GLY H . . 3.300 3.358 3.342 3.372 0.072 24 0 "[ . 1 . 2 . 3]" 1
536 1 44 SER H 1 71 GLY H . . 5.000 3.936 3.792 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 44 SER H 1 71 GLY O . . 2.400 2.211 2.103 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 44 SER H 1 72 SER HA . . 5.000 3.659 3.518 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 44 SER HB2 1 67 LEU HB2 . . 3.300 3.445 3.167 3.603 0.303 15 0 "[ . 1 . 2 . 3]" 1
540 1 44 SER HB2 1 67 LEU HB3 . . 3.300 2.414 2.097 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 44 SER HB2 1 67 LEU MD1 . . 4.500 3.905 3.248 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 44 SER HB2 1 70 TRP H . . 5.500 4.196 3.587 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 44 SER HB2 1 71 GLY H . . 5.000 2.170 1.749 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 44 SER HB3 1 67 LEU HA . . 5.500 4.609 4.404 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 44 SER HB3 1 67 LEU HB2 . . 3.300 2.490 2.311 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 44 SER HB3 1 67 LEU HB3 . . 3.300 2.516 2.249 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 44 SER HB3 1 67 LEU MD1 . . 4.300 3.259 3.036 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 44 SER HB3 1 70 TRP H . . 5.500 4.650 4.005 4.996 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 44 SER HB3 1 71 GLY H . . 5.000 3.400 2.977 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 45 GLY H 1 46 ASN H . . 5.500 4.560 4.516 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 45 GLY H 1 70 TRP H . . 5.500 4.485 4.152 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 45 GLY H 1 70 TRP HE3 . . 5.500 4.974 4.648 5.268 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 45 GLY H 1 71 GLY H . . 5.500 5.082 4.916 5.247 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 45 GLY QA 1 47 ASN HD21 . . 6.300 4.448 2.790 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 45 GLY QA 1 47 ASN HD22 . . 6.300 3.522 3.357 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 45 GLY QA 1 70 TRP HE3 . . 4.100 2.367 2.134 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 45 GLY QA 1 70 TRP HZ3 . . 4.100 3.175 2.969 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 45 GLY O 1 70 TRP N . 2.700 3.200 2.644 2.450 2.770 0.250 30 0 "[ . 1 . 2 . 3]" 1
559 1 45 GLY O 1 70 TRP H . . 2.400 1.687 1.459 1.853 0.241 30 0 "[ . 1 . 2 . 3]" 1
560 1 46 ASN H 1 46 ASN QB . . 3.680 2.204 2.171 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 46 ASN H 1 47 ASN H . . 5.500 3.624 3.572 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 46 ASN HA 1 47 ASN H . . 2.900 2.637 2.612 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 46 ASN HA 1 70 TRP H . . 5.000 2.468 2.319 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 46 ASN HA 1 70 TRP HD1 . . 5.500 3.977 3.680 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 46 ASN HA 1 70 TRP HE1 . . 5.500 4.020 3.748 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 46 ASN HA 1 70 TRP HZ2 . . 5.000 5.016 4.853 5.164 0.164 22 0 "[ . 1 . 2 . 3]" 1
567 1 46 ASN HB2 1 46 ASN HD21 . . 3.300 2.806 2.215 3.408 0.108 14 0 "[ . 1 . 2 . 3]" 1
568 1 46 ASN HB2 1 70 TRP HZ2 . . 3.800 2.636 2.471 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 46 ASN HB2 1 70 TRP HH2 . . 5.500 4.083 3.650 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 46 ASN HB3 1 46 ASN HD21 . . 3.300 2.569 2.170 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 46 ASN HB3 1 70 TRP HZ2 . . 3.800 3.638 3.352 3.819 0.019 17 0 "[ . 1 . 2 . 3]" 1
572 1 46 ASN HB3 1 70 TRP HH2 . . 5.500 4.581 4.187 4.920 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 46 ASN QB 1 70 TRP HZ2 . . 3.180 2.573 2.442 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 46 ASN QB 1 70 TRP HH2 . . 5.180 3.800 3.522 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 47 ASN H 1 47 ASN HB3 . . 3.500 3.541 3.174 3.632 0.132 28 0 "[ . 1 . 2 . 3]" 1
576 1 47 ASN H 1 47 ASN HD21 . . 3.300 3.140 1.830 3.441 0.141 28 0 "[ . 1 . 2 . 3]" 1
577 1 47 ASN H 1 47 ASN HD22 . . 5.500 3.608 3.383 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 47 ASN H 1 69 LYS HA . . 3.300 2.289 2.137 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 47 ASN H 1 70 TRP H . . 3.300 2.834 2.691 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 47 ASN HA 1 48 VAL H . . 2.900 2.246 2.219 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 47 ASN HB2 1 48 VAL H . . 3.300 3.023 2.912 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 47 ASN HB2 1 49 VAL MG2 . . 4.300 3.053 2.816 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 47 ASN HB2 1 86 ILE MG . . 4.300 4.078 3.787 4.407 0.107 29 0 "[ . 1 . 2 . 3]" 1
584 1 47 ASN HB3 1 47 ASN HD21 . . 3.300 3.434 2.641 3.605 0.305 8 0 "[ . 1 . 2 . 3]" 1
585 1 47 ASN HB3 1 48 VAL H . . 5.000 3.923 3.829 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 47 ASN HB3 1 49 VAL MG2 . . 6.000 4.412 4.296 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 47 ASN HB3 1 86 ILE MG . . 6.500 5.238 4.950 5.524 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 47 ASN HD21 1 49 VAL MG2 . . 4.300 2.407 2.055 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 47 ASN HD22 1 49 VAL MG2 . . 6.000 3.228 2.727 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 48 VAL H 1 48 VAL HB . . 3.500 2.558 2.513 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 48 VAL H 1 48 VAL MG1 . . 4.500 3.776 3.772 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 48 VAL HA 1 49 VAL H . . 2.900 2.164 2.162 2.174 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 48 VAL HA 1 67 LEU H . . 5.500 4.523 4.472 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 48 VAL HA 1 68 GLN HA . . 3.300 3.258 3.158 3.396 0.096 13 0 "[ . 1 . 2 . 3]" 1
595 1 48 VAL HA 1 87 TYR QD . . 7.700 5.466 5.073 5.808 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 48 VAL HA 1 87 TYR QE . . 7.700 6.477 6.207 6.899 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 48 VAL HB 1 87 TYR H . . 5.500 4.512 4.107 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 48 VAL HB 1 87 TYR HB2 . . 5.000 2.745 2.409 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 48 VAL HB 1 87 TYR HB3 . . 5.000 3.715 3.427 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 48 VAL HB 1 87 TYR QD . . 5.500 4.046 3.809 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 48 VAL HB 1 87 TYR QE . . 7.700 5.362 5.104 5.506 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 48 VAL MG1 1 66 THR MG . . 4.700 2.216 2.123 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 48 VAL MG1 1 68 GLN HA . . 6.000 3.110 2.777 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 48 VAL MG1 1 68 GLN HE21 . . 6.500 2.873 2.145 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 48 VAL MG1 1 68 GLN HE22 . . 4.300 2.692 2.064 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 48 VAL MG1 1 69 LYS H . . 6.000 4.930 4.698 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 48 VAL MG1 1 87 TYR H . . 6.500 4.569 4.164 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 48 VAL MG1 1 87 TYR HB2 . . 6.000 3.483 3.067 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 48 VAL MG1 1 87 TYR HB3 . . 6.000 4.281 3.921 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 48 VAL MG1 1 87 TYR QD . . 5.900 3.477 2.982 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 48 VAL MG1 1 87 TYR QE . . 6.500 3.860 3.697 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 48 VAL MG2 1 66 THR MG . . 7.000 3.965 3.818 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 48 VAL MG2 1 68 GLN H . . 6.500 5.314 5.126 5.462 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 48 VAL MG2 1 68 GLN HA . . 4.300 2.828 2.524 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 48 VAL MG2 1 68 GLN HE21 . . 4.300 3.203 2.554 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 48 VAL MG2 1 68 GLN HE22 . . 3.700 2.799 2.449 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 48 VAL MG2 1 69 LYS H . . 4.300 3.439 3.242 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 48 VAL MG2 1 69 LYS HA . . 6.500 4.170 3.887 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 48 VAL MG2 1 69 LYS HG2 . . 6.000 3.677 2.585 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 48 VAL MG2 1 69 LYS HG3 . . 6.000 3.132 2.714 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 48 VAL MG2 1 69 LYS QG . . 5.150 2.804 2.544 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 48 VAL MG2 1 69 LYS QD . . 5.100 3.847 2.118 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 48 VAL MG2 1 69 LYS QE . . 4.580 2.913 1.874 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 48 VAL MG2 1 87 TYR H . . 6.500 5.747 5.450 5.908 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 48 VAL MG2 1 87 TYR HB2 . . 6.000 4.331 4.064 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 48 VAL MG2 1 87 TYR QD . . 6.500 4.950 4.744 5.076 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 48 VAL MG2 1 87 TYR QE . . 6.500 5.822 5.675 5.891 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 48 VAL O 1 87 TYR N . 2.700 3.200 3.378 3.196 3.491 0.291 3 0 "[ . 1 . 2 . 3]" 1
629 1 48 VAL O 1 87 TYR H . . 2.400 2.460 2.260 2.583 0.183 3 0 "[ . 1 . 2 . 3]" 1
630 1 49 VAL N 1 67 LEU O . 2.700 3.200 3.355 3.293 3.412 0.212 11 0 "[ . 1 . 2 . 3]" 1
631 1 49 VAL H 1 49 VAL HB . . 3.800 2.691 2.598 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 49 VAL H 1 67 LEU H . . 3.300 3.064 2.966 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 49 VAL H 1 67 LEU O . . 2.400 2.427 2.350 2.483 0.083 11 0 "[ . 1 . 2 . 3]" 1
634 1 49 VAL H 1 68 GLN HA . . 5.500 4.630 4.527 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 49 VAL HA 1 50 THR H . . 2.900 2.214 2.191 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 49 VAL HA 1 86 ILE HA . . 3.300 2.480 2.168 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 49 VAL HA 1 87 TYR H . . 5.000 2.525 2.426 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 49 VAL HA 1 87 TYR QD . . 5.500 2.493 2.180 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 49 VAL HA 1 87 TYR QE . . 7.200 4.023 3.560 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 49 VAL HB 1 67 LEU QB . . 5.880 3.202 3.020 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 49 VAL HB 1 67 LEU MD1 . . 6.000 2.843 2.246 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 49 VAL MG1 1 51 LEU HG . . 6.000 3.324 2.739 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 49 VAL MG1 1 51 LEU MD1 . . 7.000 4.129 3.766 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 49 VAL MG1 1 51 LEU MD2 . . 5.300 2.701 2.522 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 49 VAL QG 1 67 LEU QB . . 8.080 3.759 3.441 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 49 VAL QG 1 67 LEU MD1 . . 6.500 3.076 2.521 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 49 VAL QG 1 84 ILE MG . . 6.500 2.746 2.549 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 49 VAL QG 1 86 ILE HA . . 5.500 2.097 1.843 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 49 VAL QG 1 86 ILE MG . . 6.500 1.822 1.648 2.143 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 49 VAL QG 1 86 ILE HG12 . . 7.200 1.906 1.611 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 49 VAL QG 1 86 ILE HG13 . . 7.200 2.902 2.316 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 49 VAL QG 1 86 ILE MD . . 6.500 2.975 2.152 3.240 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 49 VAL O 1 67 LEU N . 2.700 3.200 3.038 2.939 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 49 VAL O 1 67 LEU H . . 2.400 2.031 1.931 2.116 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 50 THR N 1 85 ARG O . 2.700 3.200 2.716 2.426 2.844 0.274 24 0 "[ . 1 . 2 . 3]" 1
656 1 50 THR H 1 50 THR HB . . 3.300 2.230 2.181 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 50 THR H 1 85 ARG H . . 3.300 3.986 3.744 4.116 0.816 29 29 "[********************-** ****+*]" 1
658 1 50 THR H 1 85 ARG O . . 2.400 1.908 1.593 2.014 0.107 24 0 "[ . 1 . 2 . 3]" 1
659 1 50 THR H 1 86 ILE HA . . 5.000 2.933 2.685 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 50 THR H 1 87 TYR QD . . 7.700 2.683 2.522 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 50 THR H 1 87 TYR QE . . 5.500 2.823 2.507 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 50 THR HA 1 51 LEU H . . 2.900 2.190 2.174 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 50 THR HA 1 66 THR HA . . 3.300 2.402 2.238 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 50 THR HA 1 67 LEU H . . 5.500 3.398 3.231 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 50 THR HA 1 87 TYR QE . . 7.700 3.632 3.270 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 50 THR HB 1 85 ARG QB . . 4.100 2.462 2.229 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 50 THR HB 1 85 ARG QD . . 5.800 2.980 1.682 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 50 THR HB 1 87 TYR QE . . 4.900 1.931 1.557 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 50 THR MG 1 64 THR HA . . 6.000 3.985 3.796 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 50 THR MG 1 64 THR HB . . 4.300 3.349 3.077 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 50 THR MG 1 64 THR MG . . 4.700 3.051 2.953 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 50 THR MG 1 85 ARG QB . . 6.800 2.258 1.882 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 50 THR MG 1 85 ARG QG . . 7.380 3.710 3.228 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 50 THR MG 1 85 ARG QD . . 6.880 2.982 2.419 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 50 THR MG 1 87 TYR QD . . 8.700 4.887 4.565 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 50 THR MG 1 87 TYR QE . . 6.500 3.290 2.952 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 50 THR O 1 85 ARG N . 2.700 3.200 2.986 2.815 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 50 THR O 1 85 ARG H . . 2.400 2.033 1.845 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 51 LEU N 1 65 ILE O . 2.700 3.200 2.833 2.712 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 51 LEU H 1 51 LEU HB2 . . 3.300 2.353 2.336 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 51 LEU H 1 51 LEU HG . . 3.500 3.204 3.126 3.269 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 51 LEU H 1 65 ILE H . . 3.300 2.870 2.809 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 51 LEU H 1 65 ILE MG . . 4.300 2.543 2.322 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 51 LEU H 1 65 ILE O . . 2.400 1.838 1.716 1.913 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 51 LEU H 1 66 THR HA . . 3.500 3.438 3.328 3.554 0.054 11 0 "[ . 1 . 2 . 3]" 1
686 1 51 LEU H 1 67 LEU H . . 5.500 4.393 4.307 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 51 LEU HA 1 52 GLN H . . 2.900 2.169 2.168 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 51 LEU HA 1 65 ILE MG . . 6.500 3.894 3.780 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 51 LEU HA 1 84 ILE HA . . 3.300 3.030 2.927 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 51 LEU HA 1 85 ARG H . . 5.000 3.326 3.237 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 51 LEU HB2 1 65 ILE MG . . 4.300 1.585 1.496 1.683 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 51 LEU HB3 1 65 ILE MG . . 6.000 2.606 2.495 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 51 LEU MD1 1 65 ILE MG . . 4.700 2.804 2.605 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 51 LEU MD1 1 65 ILE MD . . 7.500 3.910 3.523 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 51 LEU MD1 1 67 LEU MD1 . . 5.300 1.941 1.770 2.402 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 51 LEU MD1 1 73 TRP HE3 . . 4.300 2.828 2.643 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 51 LEU MD1 1 73 TRP HZ3 . . 3.900 3.289 3.078 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 51 LEU MD1 1 81 ILE MD . . 5.300 3.219 2.806 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 51 LEU MD2 1 65 ILE MG . . 7.500 3.903 3.823 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 51 LEU MD2 1 81 ILE MG . . 4.900 3.445 3.331 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 51 LEU MD2 1 81 ILE MD . . 5.300 3.598 3.287 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 51 LEU MD2 1 84 ILE HA . . 4.500 2.879 2.811 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 51 LEU MD2 1 84 ILE MG . . 5.300 2.458 2.134 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 51 LEU MD2 1 84 ILE HG12 . . 6.000 1.987 1.845 2.134 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 51 LEU MD2 1 84 ILE HG13 . . 6.000 3.276 3.004 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 51 LEU MD2 1 84 ILE MD . . 7.000 2.863 2.388 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 51 LEU MD2 1 85 ARG H . . 4.300 3.235 3.154 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 51 LEU MD2 1 85 ARG QB . . 7.300 4.810 4.728 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 51 LEU QD 1 53 PHE QD . . 7.300 3.722 3.498 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 51 LEU QD 1 53 PHE QE . . 9.400 4.312 4.014 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 51 LEU O 1 65 ILE N . 2.700 3.200 3.124 3.008 3.221 0.021 13 0 "[ . 1 . 2 . 3]" 1
712 1 51 LEU O 1 65 ILE H . . 2.400 2.183 2.060 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 52 GLN N 1 83 SER O . . 3.200 3.104 2.965 3.208 0.008 29 0 "[ . 1 . 2 . 3]" 1
714 1 52 GLN H 1 53 PHE H . . 5.500 4.221 4.201 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 52 GLN H 1 53 PHE QD . . 7.200 4.229 4.126 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 52 GLN H 1 83 SER H . . 3.300 3.790 3.676 3.889 0.589 29 12 "[ -* .* *1* * .* **2 * .* +3]" 1
717 1 52 GLN H 1 83 SER O . . 2.400 2.249 2.111 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 52 GLN H 1 84 ILE HA . . 3.300 2.818 2.690 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 52 GLN HA 1 53 PHE H . . 2.900 2.181 2.178 2.185 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 52 GLN HA 1 63 GLU H . . 5.500 4.761 4.629 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 52 GLN HA 1 64 THR HA . . 3.300 2.928 2.739 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 52 GLN HA 1 64 THR HB . . 5.000 4.914 4.513 5.195 0.195 13 0 "[ . 1 . 2 . 3]" 1
723 1 52 GLN HA 1 64 THR MG . . 4.300 2.888 2.363 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 52 GLN HA 1 65 ILE H . . 5.500 4.042 3.949 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 52 GLN HA 1 83 SER QB . . 6.300 5.349 5.163 5.448 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 52 GLN HB2 1 64 THR MG . . 6.000 4.577 4.242 4.766 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 52 GLN HB2 1 83 SER QB . . 4.300 2.672 2.490 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 52 GLN HB3 1 62 LEU MD1 . . 6.000 3.282 3.037 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 52 GLN HB3 1 64 THR MG . . 6.500 3.992 3.658 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 52 GLN HB3 1 83 SER QB . . 4.100 3.295 3.064 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 52 GLN HG2 1 64 THR MG . . 6.000 2.083 1.853 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 52 GLN HG2 1 83 SER QB . . 6.300 5.098 4.868 5.208 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 52 GLN HG3 1 64 THR MG . . 6.000 3.360 3.103 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 52 GLN HG3 1 83 SER QB . . 6.300 4.110 3.954 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 52 GLN QG 1 62 LEU MD1 . . 5.180 3.818 3.396 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 52 GLN QG 1 64 THR MG . . 5.150 2.063 1.841 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 52 GLN HE21 1 62 LEU HB2 . . 5.500 5.714 5.599 5.786 0.286 11 0 "[ . 1 . 2 . 3]" 1
738 1 52 GLN HE21 1 62 LEU HB3 . . 5.500 4.454 4.208 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 52 GLN HE21 1 62 LEU MD1 . . 4.300 2.121 1.985 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 52 GLN HE21 1 62 LEU MD2 . . 6.000 4.301 3.104 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 52 GLN HE21 1 64 THR MG . . 4.300 2.694 2.363 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 52 GLN HE22 1 62 LEU QB . . 6.300 4.555 4.205 5.379 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 52 GLN HE22 1 62 LEU MD1 . . 4.300 2.553 2.234 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 52 GLN HE22 1 62 LEU MD2 . . 6.500 4.811 3.919 5.208 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 52 GLN HE22 1 64 THR MG . . 6.000 3.459 3.174 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 52 GLN O 1 82 LEU N . 2.700 3.200 3.018 2.861 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 52 GLN O 1 82 LEU H . . 2.400 2.201 2.056 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 53 PHE N 1 63 GLU O . 2.700 3.200 3.341 3.185 3.426 0.226 13 0 "[ . 1 . 2 . 3]" 1
749 1 53 PHE H 1 63 GLU H . . 3.500 3.531 3.468 3.593 0.093 17 0 "[ . 1 . 2 . 3]" 1
750 1 53 PHE H 1 63 GLU O . . 2.400 2.360 2.213 2.458 0.058 13 0 "[ . 1 . 2 . 3]" 1
751 1 53 PHE H 1 64 THR HA . . 5.000 3.690 3.369 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 53 PHE H 1 64 THR MG . . 6.000 4.075 3.607 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 53 PHE HA 1 54 GLN H . . 2.900 2.347 2.341 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 53 PHE HA 1 78 ILE MG . . 6.500 4.858 4.739 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 53 PHE HA 1 81 ILE HA . . 3.300 2.656 2.519 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 53 PHE HA 1 81 ILE MG . . 6.000 3.322 3.151 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 53 PHE HA 1 81 ILE QG . . 6.380 5.018 4.856 5.134 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 53 PHE HA 1 82 LEU H . . 3.300 1.793 1.685 1.903 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 53 PHE HA 1 82 LEU MD1 . . 4.500 3.629 3.487 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 53 PHE HA 1 83 SER H . . 5.500 3.673 3.590 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 53 PHE HB2 1 54 GLN H . . 2.700 2.685 2.666 2.705 0.005 25 0 "[ . 1 . 2 . 3]" 1
762 1 53 PHE HB2 1 78 ILE MG . . 4.300 2.838 2.685 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 53 PHE HB2 1 81 ILE HA . . 5.000 2.513 2.364 2.602 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 53 PHE HB2 1 81 ILE QG . . 6.380 4.090 3.958 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 53 PHE HB2 1 82 LEU H . . 5.500 3.578 3.401 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 53 PHE HB3 1 54 GLN H . . 5.000 3.953 3.919 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 53 PHE HB3 1 78 ILE MG . . 6.000 3.866 3.738 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 53 PHE HB3 1 81 ILE HA . . 5.000 2.587 2.375 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 53 PHE HB3 1 81 ILE QG . . 6.380 3.845 3.578 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 53 PHE HB3 1 82 LEU H . . 5.500 3.286 3.143 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 53 PHE QD 1 54 GLN H . . 5.500 3.554 3.381 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 53 PHE QD 1 55 ARG H . . 7.200 3.769 3.551 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 53 PHE QD 1 55 ARG HA . . 5.500 3.137 3.060 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 53 PHE QD 1 55 ARG QB . . 8.080 4.422 4.165 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 53 PHE QD 1 63 GLU H . . 7.200 4.722 4.338 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 53 PHE QD 1 64 THR HA . . 5.500 4.413 4.073 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 53 PHE QD 1 65 ILE H . . 7.200 4.424 4.173 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 53 PHE QD 1 65 ILE HA . . 7.700 6.349 6.225 6.473 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 53 PHE QD 1 65 ILE HB . . 5.500 4.440 4.351 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 53 PHE QD 1 65 ILE MG . . 5.900 3.122 2.974 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 53 PHE QD 1 65 ILE QG . . 8.080 5.905 5.789 6.001 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 53 PHE QD 1 78 ILE MG . . 5.900 2.205 2.112 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 53 PHE QD 1 78 ILE MD . . 6.500 2.959 2.802 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 53 PHE QD 1 81 ILE HA . . 5.500 4.415 4.333 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 53 PHE QD 1 82 LEU MD1 . . 8.700 5.487 5.333 5.646 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 53 PHE QE 1 55 ARG QB . . 8.080 3.901 3.530 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 53 PHE QE 1 63 GLU H . . 7.700 5.143 4.756 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 53 PHE QE 1 64 THR HA . . 7.700 4.244 3.871 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 53 PHE QE 1 65 ILE H . . 5.500 3.787 3.479 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 53 PHE QE 1 65 ILE HA . . 7.700 4.643 4.459 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 53 PHE QE 1 65 ILE HB . . 5.500 2.281 2.212 2.352 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 53 PHE QE 1 65 ILE MG . . 5.900 2.171 2.025 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 53 PHE QE 1 78 ILE MG . . 8.700 3.068 2.976 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 53 PHE QE 1 78 ILE MD . . 8.200 2.405 2.284 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 53 PHE HZ 1 55 ARG HE . . 5.000 4.427 3.364 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 53 PHE HZ 1 63 GLU HB2 . . 3.300 3.575 3.493 3.616 0.316 11 0 "[ . 1 . 2 . 3]" 1
797 1 53 PHE HZ 1 63 GLU HB3 . . 3.300 3.595 3.314 3.668 0.368 12 0 "[ . 1 . 2 . 3]" 1
798 1 53 PHE HZ 1 63 GLU HG2 . . 5.500 5.592 4.611 5.780 0.280 29 0 "[ . 1 . 2 . 3]" 1
799 1 53 PHE HZ 1 63 GLU HG3 . . 5.500 4.921 4.549 5.768 0.268 3 0 "[ . 1 . 2 . 3]" 1
800 1 53 PHE HZ 1 65 ILE HB . . 3.800 3.550 3.320 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 53 PHE HZ 1 65 ILE MG . . 4.800 4.037 3.860 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 53 PHE HZ 1 65 ILE MD . . 6.500 3.518 3.359 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 53 PHE HZ 1 73 TRP HZ2 . . 3.300 2.220 2.049 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 53 PHE HZ 1 73 TRP HH2 . . 5.500 2.793 2.641 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 53 PHE O 1 63 GLU N . 2.700 3.200 3.057 2.944 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 53 PHE O 1 63 GLU H . . 2.400 2.116 1.996 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 54 GLN N 1 80 GLU O . 2.700 3.200 3.581 3.524 3.692 0.492 29 0 "[ . 1 . 2 . 3]" 1
808 1 54 GLN H 1 54 GLN QB . . 3.300 2.332 2.310 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 54 GLN H 1 55 ARG H . . 5.500 4.348 4.332 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 54 GLN H 1 78 ILE MG . . 4.300 4.186 4.100 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 54 GLN H 1 80 GLU H . . 5.000 4.092 4.015 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 54 GLN H 1 80 GLU O . . 2.400 2.636 2.575 2.746 0.346 29 0 "[ . 1 . 2 . 3]" 1
813 1 54 GLN H 1 81 ILE HA . . 4.000 3.543 3.480 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 54 GLN H 1 82 LEU H . . 5.500 3.456 3.375 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 54 GLN H 1 82 LEU MD2 . . 4.300 2.434 2.093 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 54 GLN HA 1 55 ARG H . . 2.900 2.167 2.166 2.169 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 54 GLN HA 1 56 ASN H . . 5.500 4.205 4.099 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 54 GLN QB 1 55 ARG H . . 5.500 3.856 3.837 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 54 GLN QB 1 62 LEU MD2 . . 4.300 2.639 2.509 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 54 GLN QB 1 79 HIS HD2 . . 3.300 2.533 2.432 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 54 GLN QB 1 80 GLU H . . 5.180 4.339 4.251 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 54 GLN QB 1 82 LEU MD1 . . 5.100 1.424 0.993 1.831 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 54 GLN QG 1 55 ARG H . . 5.500 3.206 3.188 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 54 GLN QG 1 56 ASN H . . 5.180 3.054 2.965 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 54 GLN QG 1 62 LEU MD2 . . 6.000 1.738 1.668 1.902 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 54 GLN QG 1 79 HIS HD2 . . 5.000 4.216 4.097 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 54 GLN NE2 1 56 ASN O . 2.700 3.200 3.079 3.016 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 54 GLN HE21 1 56 ASN O . . 2.400 2.130 2.066 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 54 GLN HE21 1 57 LEU HA . . 3.300 2.278 2.209 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 54 GLN HE21 1 57 LEU MD1 . . 4.300 3.069 2.900 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 54 GLN HE21 1 60 PRO HA . . 3.500 3.186 2.964 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 54 GLN HE21 1 79 HIS HD2 . . 5.500 4.318 4.036 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 54 GLN HE22 1 57 LEU HA . . 3.300 3.342 3.312 3.354 0.054 10 0 "[ . 1 . 2 . 3]" 1
834 1 54 GLN HE22 1 57 LEU MD1 . . 6.000 3.138 2.837 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 54 GLN HE22 1 60 PRO HA . . 3.300 2.937 2.783 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 54 GLN HE22 1 79 HIS HD2 . . 5.500 5.465 5.249 5.606 0.106 29 0 "[ . 1 . 2 . 3]" 1
837 1 55 ARG N 1 61 ARG O . 2.700 3.200 2.921 2.768 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 55 ARG H 1 55 ARG HB2 . . 3.300 2.116 2.014 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 55 ARG H 1 55 ARG HB3 . . 3.300 3.042 2.611 3.329 0.029 26 0 "[ . 1 . 2 . 3]" 1
840 1 55 ARG H 1 56 ASN H . . 3.300 2.966 2.903 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 55 ARG H 1 61 ARG O . . 2.400 2.155 1.973 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 55 ARG HA 1 78 ILE HA . . 5.000 5.015 4.850 5.159 0.159 29 0 "[ . 1 . 2 . 3]" 1
843 1 55 ARG HA 1 78 ILE MG . . 3.900 3.038 2.970 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 55 ARG HA 1 78 ILE MD . . 4.300 3.632 3.553 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 55 ARG HA 1 79 HIS H . . 3.800 4.065 3.958 4.172 0.372 29 0 "[ . 1 . 2 . 3]" 1
846 1 55 ARG QB 1 56 ASN H . . 4.180 2.274 2.046 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 55 ARG QG 1 78 ILE MG . . 6.500 3.786 3.586 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 55 ARG QG 1 78 ILE MD . . 6.000 3.514 3.264 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 56 ASN H 1 56 ASN HB2 . . 3.300 2.432 2.322 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 56 ASN HA 1 57 LEU H . . 2.900 2.256 2.237 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 56 ASN HA 1 79 HIS H . . 5.500 5.444 5.233 5.573 0.073 30 0 "[ . 1 . 2 . 3]" 1
852 1 56 ASN HB2 1 59 ASP H . . 5.000 3.286 3.045 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 56 ASN HB3 1 59 ASP H . . 5.000 2.596 2.400 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 57 LEU H 1 57 LEU HB2 . . 3.300 2.768 2.650 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 57 LEU H 1 57 LEU HB3 . . 3.300 2.367 2.342 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 57 LEU H 1 57 LEU HG . . 5.000 4.304 4.273 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 57 LEU H 1 58 SER H . . 2.900 2.499 2.384 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 57 LEU HA 1 59 ASP H . . 5.000 4.377 4.294 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 57 LEU HA 1 79 HIS HD2 . . 3.300 3.402 3.338 3.470 0.170 12 0 "[ . 1 . 2 . 3]" 1
860 1 57 LEU HA 1 79 HIS HE1 . . 5.000 5.057 4.908 5.258 0.258 29 0 "[ . 1 . 2 . 3]" 1
861 1 57 LEU HB2 1 58 SER H . . 5.000 3.799 3.651 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 57 LEU HB2 1 79 HIS HE1 . . 5.000 2.988 2.807 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 57 LEU HB3 1 58 SER H . . 5.000 2.344 2.168 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 57 LEU HB3 1 79 HIS HE1 . . 5.000 4.190 3.966 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 57 LEU QB 1 58 SER H . . 4.140 2.323 2.153 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 57 LEU HG 1 79 HIS HE1 . . 5.000 4.826 4.629 5.074 0.074 29 0 "[ . 1 . 2 . 3]" 1
867 1 57 LEU MD1 1 79 HIS HD2 . . 4.300 3.434 3.297 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 57 LEU MD1 1 79 HIS HE1 . . 6.000 3.271 2.905 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 57 LEU MD2 1 79 HIS HE1 . . 3.700 2.198 1.977 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 58 SER H 1 58 SER HB2 . . 3.300 2.231 2.022 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 58 SER H 1 58 SER HB3 . . 3.300 2.907 2.500 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 58 SER H 1 59 ASP H . . 2.900 2.867 2.763 2.919 0.019 20 0 "[ . 1 . 2 . 3]" 1
873 1 58 SER QB 1 59 ASP H . . 4.180 2.547 2.454 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 59 ASP H 1 59 ASP HB2 . . 3.300 2.816 2.646 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 59 ASP H 1 59 ASP HB3 . . 3.300 2.540 2.359 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 59 ASP HA 1 60 PRO HD2 . . 3.300 2.180 2.124 2.215 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 59 ASP HA 1 60 PRO HD3 . . 3.300 2.240 2.237 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 59 ASP HA 1 61 ARG H . . 5.000 4.188 4.042 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 59 ASP O 1 61 ARG N . 2.700 3.200 2.632 2.628 2.646 0.072 26 0 "[ . 1 . 2 . 3]" 1
880 1 59 ASP O 1 61 ARG H . . 2.400 1.706 1.698 1.742 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 60 PRO HD2 1 61 ARG H . . 5.500 4.040 3.848 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 60 PRO HD3 1 61 ARG H . . 5.500 4.581 4.466 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 60 PRO QD 1 61 ARG H . . 5.180 3.788 3.634 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 61 ARG H 1 61 ARG QB . . 3.420 2.066 2.022 2.210 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 61 ARG H 1 61 ARG QG . . 4.180 3.339 2.688 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 61 ARG H 1 62 LEU H . . 5.500 4.033 3.948 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 61 ARG HA 1 62 LEU H . . 2.900 2.355 2.257 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 61 ARG HB2 1 62 LEU H . . 5.000 4.664 4.568 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 61 ARG HB3 1 62 LEU H . . 5.000 4.301 4.078 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 62 LEU H 1 62 LEU QB . . 3.490 2.079 2.031 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 62 LEU HA 1 63 GLU H . . 2.900 2.209 2.175 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 62 LEU HB2 1 63 GLU H . . 5.000 4.419 4.285 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 62 LEU HB3 1 63 GLU H . . 5.000 3.511 3.354 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 62 LEU QB 1 63 GLU H . . 4.140 3.376 3.255 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 62 LEU MD1 1 64 THR MG . . 7.000 3.104 2.330 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 62 LEU MD1 1 82 LEU MD1 . . 5.300 2.567 2.087 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 62 LEU MD2 1 82 LEU MD1 . . 4.700 1.754 1.648 1.953 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 63 GLU H 1 64 THR H . . 5.500 4.369 4.342 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 63 GLU HA 1 64 THR H . . 2.900 2.212 2.205 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 64 THR HA 1 65 ILE H . . 2.900 2.231 2.211 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 64 THR HA 1 65 ILE MG . . 4.800 3.809 3.717 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 64 THR HB 1 65 ILE H . . 5.000 3.071 2.951 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 65 ILE H 1 66 THR H . . 5.500 4.262 4.219 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 65 ILE HA 1 66 THR H . . 2.900 2.177 2.168 2.192 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 65 ILE HB 1 66 THR H . . 5.000 4.381 4.328 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 65 ILE MG 1 66 THR H . . 6.000 3.830 3.753 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 65 ILE MG 1 67 LEU MD1 . . 5.300 3.036 2.750 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 65 ILE MG 1 67 LEU MD2 . . 7.000 2.971 2.566 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 65 ILE MG 1 73 TRP HE3 . . 4.300 3.737 3.540 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 65 ILE MG 1 73 TRP HE1 . . 6.500 4.934 4.716 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 65 ILE MG 1 73 TRP HZ3 . . 4.300 3.890 3.805 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 65 ILE MG 1 73 TRP HZ2 . . 6.000 4.457 4.209 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 65 ILE HG12 1 66 THR H . . 3.300 2.988 2.812 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 65 ILE HG13 1 66 THR H . . 3.300 3.240 3.073 3.361 0.061 10 0 "[ . 1 . 2 . 3]" 1
915 1 65 ILE MD 1 66 THR H . . 6.000 4.457 4.347 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 65 ILE MD 1 67 LEU HG . . 6.000 3.967 3.506 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 65 ILE MD 1 67 LEU MD1 . . 7.000 4.109 3.662 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 65 ILE MD 1 67 LEU MD2 . . 4.700 2.620 2.454 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 65 ILE MD 1 73 TRP HD1 . . 3.700 2.850 2.680 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 65 ILE MD 1 73 TRP HE3 . . 6.000 3.753 3.529 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 65 ILE MD 1 73 TRP HE1 . . 4.300 2.674 2.509 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 65 ILE MD 1 73 TRP HZ2 . . 4.500 3.288 3.072 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 66 THR H 1 66 THR HB . . 2.700 2.422 2.322 2.716 0.016 15 0 "[ . 1 . 2 . 3]" 1
924 1 66 THR H 1 67 LEU H . . 5.500 4.433 4.420 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 66 THR HA 1 67 LEU H . . 2.900 2.163 2.161 2.165 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 66 THR HB 1 67 LEU H . . 5.500 4.357 4.144 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 66 THR MG 1 68 GLN HE21 . . 6.000 3.153 2.162 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 66 THR MG 1 68 GLN HE22 . . 6.000 3.408 2.713 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 66 THR MG 1 87 TYR QE . . 8.200 4.019 3.344 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 67 LEU H 1 68 GLN H . . 5.500 4.492 4.484 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 67 LEU HA 1 68 GLN H . . 2.900 2.170 2.167 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 67 LEU MD1 1 73 TRP HA . . 6.500 5.743 5.482 5.875 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 67 LEU MD2 1 72 SER HA . . 6.000 3.294 3.035 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 68 GLN H 1 68 GLN QG . . 4.100 2.345 2.256 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 68 GLN H 1 69 LYS H . . 5.500 4.535 4.523 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 68 GLN HA 1 69 LYS H . . 2.900 2.634 2.617 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 68 GLN HB2 1 69 LYS H . . 3.300 3.295 3.210 3.340 0.040 1 0 "[ . 1 . 2 . 3]" 1
938 1 68 GLN HB3 1 69 LYS H . . 2.900 2.096 2.054 2.143 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 68 GLN O 1 71 GLY N . 2.700 3.200 2.767 2.709 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 68 GLN O 1 71 GLY H . . 2.400 1.982 1.853 2.059 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 69 LYS H 1 69 LYS HB2 . . 3.300 2.717 2.612 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 69 LYS H 1 69 LYS HG2 . . 3.800 3.051 1.815 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 69 LYS H 1 69 LYS HG3 . . 3.800 2.080 1.816 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 69 LYS HA 1 70 TRP H . . 2.900 2.181 2.166 2.206 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 69 LYS HA 1 71 GLY H . . 3.300 3.528 3.480 3.577 0.277 30 0 "[ . 1 . 2 . 3]" 1
946 1 69 LYS HB2 1 70 TRP H . . 5.000 4.109 3.987 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 69 LYS HB2 1 70 TRP HD1 . . 3.300 3.141 3.062 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 69 LYS HB2 1 70 TRP HE1 . . 5.000 4.649 4.466 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 69 LYS HB3 1 70 TRP H . . 5.000 3.362 3.207 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 69 LYS HB3 1 70 TRP HD1 . . 3.300 3.208 2.971 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 69 LYS HB3 1 70 TRP HE1 . . 5.500 3.819 3.644 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 70 TRP H 1 70 TRP HA . . 2.700 2.291 2.287 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 70 TRP H 1 70 TRP HD1 . . 5.500 4.234 4.109 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 70 TRP H 1 70 TRP HE3 . . 5.000 4.065 3.941 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 70 TRP H 1 71 GLY H . . 3.300 2.702 2.481 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 70 TRP HA 1 70 TRP HD1 . . 5.000 4.610 4.566 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 70 TRP HA 1 70 TRP HE3 . . 2.700 2.557 2.477 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 70 TRP QB 1 70 TRP HD1 . . 3.520 2.471 2.466 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 70 TRP QB 1 70 TRP HE3 . . 3.660 2.913 2.873 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 71 GLY H 1 72 SER H . . 5.500 4.640 4.626 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 71 GLY HA2 1 72 SER H . . 2.900 2.326 2.306 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 72 SER HA 1 73 TRP H . . 2.900 2.383 2.373 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 72 SER HB2 1 73 TRP H . . 3.300 3.153 2.801 3.287 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 72 SER HB3 1 73 TRP H . . 3.300 2.985 2.866 3.382 0.082 28 0 "[ . 1 . 2 . 3]" 1
965 1 72 SER QB 1 73 TRP H . . 2.980 2.710 2.673 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 73 TRP HA 1 73 TRP HD1 . . 2.700 2.124 2.057 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 73 TRP HA 1 73 TRP HE3 . . 5.500 5.276 5.223 5.291 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 73 TRP HD1 1 75 PRO QG . . 5.880 5.091 4.859 5.464 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 73 TRP HE3 1 75 PRO QG . . 5.880 4.153 3.857 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 73 TRP HE3 1 78 ILE MD . . 6.500 5.030 4.943 5.150 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 73 TRP HE1 1 75 PRO HA . . 5.000 3.907 3.561 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 73 TRP HE1 1 75 PRO QB . . 4.180 2.923 2.743 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 73 TRP HZ3 1 78 ILE MG . . 6.000 3.843 3.730 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 73 TRP HZ3 1 78 ILE MD . . 4.800 3.670 3.611 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 73 TRP HZ3 1 81 ILE MD . . 3.700 2.787 2.653 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 73 TRP HZ2 1 75 PRO HB2 . . 5.000 4.139 3.780 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 73 TRP HZ2 1 75 PRO HB3 . . 5.000 2.943 2.578 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 73 TRP HZ2 1 75 PRO QG . . 5.880 3.610 2.872 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 73 TRP HZ2 1 78 ILE MD . . 4.300 2.577 2.331 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 73 TRP HH2 1 78 ILE MG . . 4.300 2.802 2.551 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 73 TRP HH2 1 78 ILE MD . . 4.300 1.920 1.815 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 74 ASN HA 1 75 PRO HD2 . . 3.300 2.009 1.932 2.053 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 74 ASN HA 1 75 PRO HD3 . . 3.300 2.897 2.773 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 74 ASN HA 1 76 GLY H . . 5.500 4.757 4.229 4.980 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 75 PRO HG2 1 76 GLY H . . 5.000 1.491 1.394 1.583 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 75 PRO HG3 1 76 GLY H . . 5.000 3.103 3.087 3.159 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 75 PRO QG 1 76 GLY H . . 4.140 1.487 1.392 1.579 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 75 PRO HD2 1 76 GLY H . . 5.500 3.345 2.910 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 75 PRO HD3 1 76 GLY H . . 5.500 4.089 3.869 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 75 PRO QD 1 76 GLY H . . 5.180 3.200 2.830 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 76 GLY H 1 76 GLY HA3 . . 2.900 2.917 2.857 2.954 0.054 12 0 "[ . 1 . 2 . 3]" 1
992 1 76 GLY H 1 77 HIS H . . 5.500 2.447 2.323 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 76 GLY HA2 1 77 HIS H . . 2.900 2.550 2.475 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 77 HIS H 1 77 HIS QB . . 3.670 2.991 2.962 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 77 HIS HA 1 78 ILE H . . 2.900 2.240 2.187 2.277 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 77 HIS HB2 1 78 ILE H . . 5.500 4.526 4.349 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 77 HIS HB3 1 78 ILE H . . 5.500 4.528 4.446 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 77 HIS QB 1 77 HIS HD2 . . 3.560 2.554 2.529 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 77 HIS HE1 1 79 HIS HA . . 3.300 3.499 3.106 3.610 0.310 12 0 "[ . 1 . 2 . 3]" 1
1000 1 78 ILE H 1 78 ILE HB . . 3.300 2.463 2.441 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 78 ILE HA 1 79 HIS H . . 2.900 2.297 2.241 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 78 ILE HB 1 79 HIS H . . 5.500 3.896 3.737 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 78 ILE MG 1 79 HIS H . . 3.700 2.144 1.947 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 78 ILE MG 1 80 GLU H . . 4.300 2.646 2.597 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 78 ILE MG 1 81 ILE MD . . 5.300 3.202 2.986 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 78 ILE MD 1 79 HIS H . . 6.000 3.552 3.382 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 79 HIS H 1 79 HIS HB2 . . 3.300 2.710 2.679 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 79 HIS H 1 79 HIS HB3 . . 3.300 2.287 2.228 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 79 HIS H 1 80 GLU H . . 3.300 3.297 3.149 3.381 0.081 25 0 "[ . 1 . 2 . 3]" 1
1010 1 79 HIS HB2 1 80 GLU H . . 5.000 3.600 3.563 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 79 HIS HB3 1 80 GLU H . . 5.000 2.167 2.116 2.192 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 79 HIS QB 1 79 HIS HD2 . . 3.560 2.534 2.530 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 79 HIS QB 1 80 GLU H . . 4.140 2.151 2.101 2.174 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 79 HIS HD2 1 80 GLU H . . 5.000 2.926 2.870 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 79 HIS HD2 1 80 GLU HB2 . . 5.000 4.498 4.316 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 79 HIS HD2 1 80 GLU HB3 . . 5.000 3.504 3.360 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 79 HIS HD2 1 80 GLU QB . . 4.140 3.387 3.269 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 80 GLU HA 1 81 ILE H . . 2.900 2.290 2.277 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 81 ILE HA 1 82 LEU H . . 2.900 2.217 2.210 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 82 LEU H 1 82 LEU HB2 . . 3.300 2.496 2.418 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 82 LEU H 1 82 LEU HG . . 5.000 2.492 2.318 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 82 LEU H 1 82 LEU MD2 . . 3.700 2.511 2.102 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 82 LEU H 1 83 SER H . . 2.900 2.607 2.551 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 82 LEU HB2 1 83 SER H . . 5.500 2.064 2.009 2.124 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 82 LEU HB3 1 83 SER H . . 5.000 3.275 3.134 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 83 SER HA 1 84 ILE H . . 2.900 2.497 2.486 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 84 ILE H 1 84 ILE HB . . 2.700 2.576 2.546 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 84 ILE HA 1 85 ARG H . . 2.900 2.181 2.172 2.190 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 84 ILE MG 1 86 ILE H . . 6.500 4.032 3.913 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 84 ILE MG 1 86 ILE QG . . 6.880 2.486 2.408 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 84 ILE MG 1 86 ILE MD . . 5.300 2.994 2.780 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 85 ARG H 1 85 ARG HB2 . . 3.300 3.187 2.961 3.313 0.013 28 0 "[ . 1 . 2 . 3]" 1
1033 1 85 ARG H 1 85 ARG HB3 . . 3.300 2.545 2.464 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 85 ARG HA 1 86 ILE H . . 2.900 2.180 2.176 2.184 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 85 ARG HB2 1 86 ILE H . . 5.000 4.182 4.078 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 85 ARG HB3 1 86 ILE H . . 5.000 4.282 4.121 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 85 ARG HG2 1 87 TYR QD . . 7.200 3.690 2.967 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 85 ARG HG2 1 87 TYR QE . . 7.200 3.591 2.689 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 85 ARG HG3 1 87 TYR QD . . 7.200 5.030 4.056 6.272 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 85 ARG HG3 1 87 TYR QE . . 7.200 4.980 4.209 6.035 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 85 ARG QG 1 87 TYR QE . . 6.350 3.486 2.660 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 85 ARG HD2 1 87 TYR QE . . 7.200 4.415 2.365 5.849 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 85 ARG HD3 1 87 TYR QE . . 7.200 3.617 2.030 5.445 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 85 ARG QD 1 87 TYR QE . . 6.350 3.380 1.988 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 86 ILE H 1 86 ILE HB . . 3.300 2.619 2.580 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 86 ILE H 1 86 ILE MG . . 4.500 3.840 3.826 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 86 ILE HA 1 87 TYR H . . 2.900 2.206 2.198 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 86 ILE HA 1 87 TYR QD . . 7.200 3.034 2.908 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 86 ILE HB 1 87 TYR H . . 5.500 4.073 3.990 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 87 TYR H 1 87 TYR HB2 . . 3.300 2.268 2.206 2.297 . 0 0 "[ . 1 . 2 . 3]" 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 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 52 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 52 GLN O 1 83 SER N . 2.700 . 2.894 2.798 2.978 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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