NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472903 |
1pet   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pet
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 935
_Distance_constraint_stats_list.Viol_count 5986
_Distance_constraint_stats_list.Viol_total 106706.953
_Distance_constraint_stats_list.Viol_max 14.060
_Distance_constraint_stats_list.Viol_rms 1.0844
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3161
_Distance_constraint_stats_list.Viol_average_violations_only 0.9382
_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 2 GLU 0.484 0.076 2 0 "[ . 1 . ]"
1 3 TYR 375.527 14.060 5 19 [*-**+**************]
1 4 PHE 4.970 0.442 4 0 "[ . 1 . ]"
1 5 THR 25.556 0.708 17 16 "[*** ***-** ** **+**]"
1 6 LEU 409.462 3.702 10 19 [*********+*****-***]
1 7 GLN 175.483 8.518 1 19 [+******-***********]
1 8 ILE 183.316 1.973 15 19 [**-***********+****]
1 9 ARG 245.079 14.060 5 19 [*-**+**************]
1 10 GLY 0.480 0.096 19 0 "[ . 1 . ]"
1 11 ARG 0.029 0.028 10 0 "[ . 1 . ]"
1 12 GLU 1.387 0.138 19 0 "[ . 1 . ]"
1 13 ARG 1.638 0.300 2 0 "[ . 1 . ]"
1 14 PHE 168.086 2.330 19 19 [******************+]
1 15 GLU 12.191 0.845 19 2 "[ . 1 . -+]"
1 16 MET 127.688 3.125 7 19 [******+******-*****]
1 17 PHE 67.046 1.288 14 19 [*************+*****]
1 18 ARG 129.360 3.702 10 19 [****-****+*********]
1 19 GLU 31.733 1.262 15 19 [****-*********+****]
1 20 LEU 97.384 3.125 7 19 [*-****+************]
1 21 ASN 49.381 1.924 11 19 [**********+******-*]
1 22 GLU 30.220 1.387 5 19 [**-*+**************]
1 23 ALA 64.818 2.068 11 19 [**********+******-*]
1 24 LEU 52.426 2.068 11 19 [*****-****+********]
1 25 GLU 13.394 0.668 7 10 "[ * -*+**1* **. *]"
1 26 LEU 49.661 0.986 16 19 [-**************+***]
1 27 LYS 7.970 0.223 5 0 "[ . 1 . ]"
1 28 ASP 81.692 5.037 7 19 [******+************]
1 29 ALA 101.473 3.934 8 19 [******-+***********]
1 30 GLN 36.665 1.083 14 19 [**********-**+*****]
1 31 ALA 120.623 5.037 7 19 [*-****+************]
2 2 GLU 0.916 0.121 2 0 "[ . 1 . ]"
2 3 TYR 376.796 14.057 5 19 [****+*****-********]
2 4 PHE 4.676 0.448 4 0 "[ . 1 . ]"
2 5 THR 17.362 0.508 17 2 "[ . 1 . + -]"
2 6 LEU 400.750 3.563 10 19 [******-**+*********]
2 7 GLN 177.768 8.538 1 19 [+***************-**]
2 8 ILE 184.790 1.973 15 19 [**-***********+****]
2 9 ARG 244.475 14.057 5 19 [*-**+**************]
2 10 GLY 0.178 0.055 10 0 "[ . 1 . ]"
2 11 ARG 0.055 0.055 10 0 "[ . 1 . ]"
2 12 GLU 2.408 0.221 19 0 "[ . 1 . ]"
2 13 ARG 1.644 0.295 2 0 "[ . 1 . ]"
2 14 PHE 164.922 2.256 19 19 [******************+]
2 15 GLU 13.026 0.840 19 2 "[ . 1 . -+]"
2 16 MET 132.220 3.188 7 19 [******+**********-*]
2 17 PHE 75.015 1.446 14 19 [*************+*-***]
2 18 ARG 132.790 3.563 10 19 [****-****+*********]
2 19 GLU 31.855 1.283 15 19 [****-*********+****]
2 20 LEU 98.577 3.188 7 19 [*-****+************]
2 21 ASN 47.420 1.939 6 19 [*-***+*************]
2 22 GLU 29.835 1.399 5 19 [****+******-*******]
2 23 ALA 68.414 2.097 11 19 [**********+*******-]
2 24 LEU 54.109 2.097 11 19 [*****-****+********]
2 25 GLU 13.738 0.689 7 10 "[ * -*+**1* **. *]"
2 26 LEU 57.836 1.127 16 19 [*******-*******+***]
2 27 LYS 10.036 0.266 5 0 "[ . 1 . ]"
2 28 ASP 82.135 5.025 7 19 [*-****+************]
2 29 ALA 103.541 3.945 8 19 [******-+***********]
2 30 GLN 39.543 1.158 1 19 [+******-***********]
2 31 ALA 120.470 5.025 7 19 [*-****+************]
3 2 GLU 0.521 0.123 2 0 "[ . 1 . ]"
3 3 TYR 376.279 14.059 5 19 [****+*****-********]
3 4 PHE 4.272 0.449 4 0 "[ . 1 . ]"
3 5 THR 16.591 0.690 17 12 "[** * * ** -* * +**]"
3 6 LEU 408.425 3.672 10 19 [-********+*********]
3 7 GLN 178.278 8.537 1 19 [+**********-*******]
3 8 ILE 186.045 1.981 15 19 [**************+**-*]
3 9 ARG 244.501 14.059 5 19 [*-**+**************]
3 10 GLY 0.053 0.051 10 0 "[ . 1 . ]"
3 11 ARG 0.053 0.051 10 0 "[ . 1 . ]"
3 12 GLU 2.321 0.222 19 0 "[ . 1 . ]"
3 13 ARG 1.700 0.300 2 0 "[ . 1 . ]"
3 14 PHE 166.619 2.306 19 19 [-*****************+]
3 15 GLU 12.745 0.827 19 2 "[ . 1 . -+]"
3 16 MET 132.305 3.187 7 19 [******+**-*********]
3 17 PHE 75.044 1.441 14 19 [*********-***+*****]
3 18 ARG 134.526 3.672 10 19 [****-****+*********]
3 19 GLU 31.833 1.283 15 19 [****-*********+****]
3 20 LEU 98.443 3.187 7 19 [*-****+************]
3 21 ASN 48.904 1.946 6 19 [*****+*******-*****]
3 22 GLU 30.340 1.422 5 19 [**-*+**************]
3 23 ALA 70.212 2.086 11 19 [*-********+********]
3 24 LEU 54.851 2.086 11 19 [*****-****+********]
3 25 GLU 13.873 0.689 7 10 "[ * -*+**1* **. *]"
3 26 LEU 59.723 1.184 16 19 [***************+**-]
3 27 LYS 10.122 0.267 5 0 "[ . 1 . ]"
3 28 ASP 82.258 5.035 7 19 [*-****+************]
3 29 ALA 103.602 3.950 8 19 [*******+****-******]
3 30 GLN 39.580 1.164 1 19 [+**************-***]
3 31 ALA 120.601 5.035 7 19 [*-****+************]
4 2 GLU 0.509 0.117 2 0 "[ . 1 . ]"
4 3 TYR 376.155 14.051 5 19 [****+*****-********]
4 4 PHE 4.266 0.448 4 0 "[ . 1 . ]"
4 5 THR 16.484 0.688 17 11 "[** * * ** * * +-*]"
4 6 LEU 408.705 3.676 10 19 [-********+*********]
4 7 GLN 178.202 8.532 1 19 [+****************-*]
4 8 ILE 186.050 1.986 15 19 [**************+**-*]
4 9 ARG 244.395 14.051 5 19 [*-**+**************]
4 10 GLY 0.052 0.052 10 0 "[ . 1 . ]"
4 11 ARG 0.052 0.052 10 0 "[ . 1 . ]"
4 12 GLU 2.304 0.222 19 0 "[ . 1 . ]"
4 13 ARG 1.708 0.298 2 0 "[ . 1 . ]"
4 14 PHE 166.578 2.309 19 19 [-*****************+]
4 15 GLU 12.764 0.826 19 2 "[ . 1 . -+]"
4 16 MET 132.745 3.184 7 19 [******+**-*********]
4 17 PHE 75.303 1.434 14 19 [*********-***+*****]
4 18 ARG 134.776 3.676 10 19 [****-****+*********]
4 19 GLU 31.785 1.288 15 19 [****-*********+****]
4 20 LEU 99.234 3.184 7 19 [*-****+************]
4 21 ASN 49.111 1.946 6 19 [*****+*******-*****]
4 22 GLU 30.477 1.419 5 19 [****+******-*******]
4 23 ALA 69.022 2.079 13 19 [************+-*****]
4 24 LEU 54.078 2.079 13 19 [*****-******+******]
4 25 GLU 13.841 0.689 7 10 "[ * -*+**1* **. *]"
4 26 LEU 59.449 1.148 16 19 [***********-***+***]
4 27 LYS 10.175 0.266 5 0 "[ . 1 . ]"
4 28 ASP 82.176 5.028 7 19 [******+*****-******]
4 29 ALA 104.104 3.951 8 19 [*******+****-******]
4 30 GLN 40.520 1.165 14 19 [***********-*+*****]
4 31 ALA 120.599 5.028 7 19 [*-****+************]
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 2 GLU HA 1 3 TYR H 0.000 . 2.700 2.654 2.394 2.776 0.076 2 0 "[ . 1 . ]" 1
2 1 2 GLU QB 1 3 TYR H 0.000 . 3.300 2.189 1.858 3.330 0.030 7 0 "[ . 1 . ]" 1
3 1 2 GLU QG 1 3 TYR H 0.000 . 5.000 3.193 1.894 4.062 . 0 0 "[ . 1 . ]" 1
4 1 3 TYR H 1 4 PHE H 0.000 . 5.000 4.363 4.186 4.532 . 0 0 "[ . 1 . ]" 1
5 1 3 TYR H 1 3 TYR QB 0.000 . 2.700 2.290 2.210 2.488 . 0 0 "[ . 1 . ]" 1
6 1 3 TYR H 1 3 TYR QD 0.000 . 3.300 3.261 2.267 4.058 0.758 4 3 "[ - +. 1* . ]" 1
7 1 3 TYR QB 1 7 GLN QG 0.000 . 3.300 9.821 8.666 11.818 8.518 1 19 [+*****************-] 1
8 1 3 TYR HA 1 4 PHE H 0.000 . 2.700 2.204 2.186 2.251 . 0 0 "[ . 1 . ]" 1
9 1 3 TYR QB 1 4 PHE H 0.000 . 3.300 3.497 3.169 3.742 0.442 4 0 "[ . 1 . ]" 1
10 1 4 PHE H 1 4 PHE QD 0.000 . 3.300 2.902 2.230 3.485 0.185 19 0 "[ . 1 . ]" 1
11 1 4 PHE QD 1 5 THR H 0.000 . 5.000 3.618 3.075 4.211 . 0 0 "[ . 1 . ]" 1
12 1 4 PHE H 1 5 THR H 0.000 . 5.000 4.524 4.408 4.583 . 0 0 "[ . 1 . ]" 1
13 1 4 PHE HA 1 5 THR H 0.000 . 2.700 2.389 2.211 2.570 . 0 0 "[ . 1 . ]" 1
14 1 5 THR H 1 5 THR HB 0.000 . 3.300 3.094 3.004 3.168 . 0 0 "[ . 1 . ]" 1
15 1 6 LEU HA 1 8 ILE MD 0.000 . 3.300 4.467 4.164 4.750 1.450 10 19 [*********+***-*****] 1
16 1 5 THR HA 1 6 LEU H 0.000 . 2.700 2.216 2.193 2.234 . 0 0 "[ . 1 . ]" 1
17 1 5 THR HB 1 6 LEU H 0.000 . 3.300 3.730 3.602 3.972 0.672 19 3 "[ . * 1 .- +]" 1
18 1 5 THR MG 1 6 LEU H 0.000 . 3.300 2.699 2.508 3.153 . 0 0 "[ . 1 . ]" 1
19 1 6 LEU H 1 6 LEU HB3 0.000 . 3.300 3.243 3.073 3.384 0.084 1 0 "[ . 1 . ]" 1
20 1 6 LEU H 1 6 LEU HB2 0.000 . 3.300 2.437 2.246 2.578 . 0 0 "[ . 1 . ]" 1
21 1 6 LEU H 1 6 LEU QD 0.000 . 3.300 3.720 3.403 3.882 0.582 2 7 "[-+ ** *** . ]" 1
22 1 6 LEU H 1 8 ILE MD 0.000 . 3.300 4.962 4.606 5.260 1.960 19 19 [*************-****+] 1
23 1 6 LEU H 1 14 PHE QD 0.000 . 5.000 6.897 6.476 7.330 2.330 19 19 [********-*********+] 1
24 1 6 LEU QD 1 14 PHE QD 0.000 . 3.300 4.883 4.459 5.276 1.976 1 19 [+****************-*] 1
25 1 6 LEU QD 1 14 PHE QE 0.000 . 3.300 5.088 4.713 5.390 2.090 13 19 [************+*****-] 1
26 1 6 LEU QD 1 14 PHE HZ 0.000 . 5.000 6.746 6.204 7.119 2.119 13 19 [************+*****-] 1
27 1 6 LEU QD 1 17 PHE QD 0.000 . 3.300 3.018 1.904 4.263 0.963 19 6 "[** . * 1- .* +]" 1
28 1 6 LEU QD 1 17 PHE QE 0.000 . 3.300 3.218 2.061 4.492 1.192 19 6 "[** . * 1* .- +]" 1
29 1 6 LEU QD 1 18 ARG HA 0.000 . 3.300 6.636 6.237 7.002 3.702 10 19 [****-****+*********] 1
30 1 6 LEU H 1 7 GLN H 0.000 . 5.000 3.970 3.901 4.036 . 0 0 "[ . 1 . ]" 1
31 1 7 GLN H 1 8 ILE H 0.000 . 5.000 4.381 4.330 4.476 . 0 0 "[ . 1 . ]" 1
32 1 6 LEU HA 1 7 GLN H 0.000 . 2.700 2.275 2.249 2.305 . 0 0 "[ . 1 . ]" 1
33 1 6 LEU QB 1 7 GLN H 0.000 . 3.300 3.883 3.840 3.919 0.619 18 19 [-****************+*] 1
34 1 5 THR MG 1 7 GLN H 0.000 . 5.000 4.386 4.218 4.582 . 0 0 "[ . 1 . ]" 1
35 1 6 LEU QD 1 7 GLN H 0.000 . 5.000 3.780 3.133 4.208 . 0 0 "[ . 1 . ]" 1
36 1 6 LEU HG 1 7 GLN H 0.000 . 5.000 4.101 3.656 4.542 . 0 0 "[ . 1 . ]" 1
37 1 7 GLN H 1 7 GLN QB 0.000 . 2.700 2.337 2.153 2.515 . 0 0 "[ . 1 . ]" 1
38 1 7 GLN H 1 7 GLN QG 0.000 . 3.300 3.092 2.183 4.000 0.700 1 6 "[+ .- * ** .* ]" 1
39 1 7 GLN H 1 8 ILE MG 0.000 . 5.000 6.368 6.278 6.485 1.485 15 19 [*************-+****] 1
40 1 7 GLN H 1 8 ILE MD 0.000 . 5.000 4.769 4.442 5.035 0.035 15 0 "[ . 1 . ]" 1
41 1 7 GLN HA 1 7 GLN QG 0.000 . 2.700 2.316 2.102 2.485 . 0 0 "[ . 1 . ]" 1
42 1 7 GLN HA 1 8 ILE H 0.000 . 2.700 2.186 2.177 2.197 . 0 0 "[ . 1 . ]" 1
43 1 7 GLN QB 1 8 ILE H 0.000 . 5.000 3.635 3.330 3.945 . 0 0 "[ . 1 . ]" 1
44 1 7 GLN QG 1 8 ILE H 0.000 . 5.000 3.809 2.916 4.351 . 0 0 "[ . 1 . ]" 1
45 1 8 ILE H 1 8 ILE QG 0.000 . 5.000 2.931 2.664 3.120 . 0 0 "[ . 1 . ]" 1
46 1 8 ILE H 1 8 ILE MG 0.000 . 3.300 3.825 3.759 3.877 0.577 11 16 "[**-***** *+***.*** ]" 1
47 1 8 ILE H 1 8 ILE MD 0.000 . 3.300 2.961 2.616 3.268 . 0 0 "[ . 1 . ]" 1
48 1 8 ILE HA 1 8 ILE MD 0.000 . 3.300 3.760 3.610 3.856 0.556 10 4 "[ . +*- . * ]" 1
49 1 8 ILE MD 1 14 PHE H 0.000 . 5.000 4.524 4.062 4.990 . 0 0 "[ . 1 . ]" 1
50 1 8 ILE MD 1 14 PHE HA 0.000 . 2.700 2.516 1.907 2.972 0.272 2 0 "[ . 1 . ]" 1
51 1 8 ILE MD 1 14 PHE QD 0.000 . 5.000 2.041 1.775 2.626 . 0 0 "[ . 1 . ]" 1
52 1 8 ILE MD 1 14 PHE QE 0.000 . 5.000 3.181 2.740 3.457 . 0 0 "[ . 1 . ]" 1
53 1 8 ILE MD 1 14 PHE HZ 0.000 . 5.000 5.117 4.851 5.378 0.378 13 0 "[ . 1 . ]" 1
54 1 8 ILE MD 1 17 PHE H 0.000 . 5.000 4.671 4.308 4.992 . 0 0 "[ . 1 . ]" 1
55 1 8 ILE MD 1 17 PHE QD 0.000 . 5.000 2.479 1.882 3.259 . 0 0 "[ . 1 . ]" 1
56 1 8 ILE MD 1 17 PHE QE 0.000 . 5.000 3.616 3.269 4.137 . 0 0 "[ . 1 . ]" 1
57 1 8 ILE MD 1 17 PHE HZ 0.000 . 5.000 5.199 4.813 5.357 0.357 16 0 "[ . 1 . ]" 1
58 1 8 ILE MD 1 18 ARG H 0.000 . 5.000 5.153 4.888 5.424 0.424 19 0 "[ . 1 . ]" 1
59 1 6 LEU QD 1 8 ILE QG 0.000 . 3.300 2.477 2.111 2.671 . 0 0 "[ . 1 . ]" 1
60 1 6 LEU QB 1 8 ILE QG 0.000 . 3.300 3.464 3.179 3.701 0.401 3 0 "[ . 1 . ]" 1
61 1 8 ILE MG 1 13 ARG HA 0.000 . 5.000 4.959 4.370 5.300 0.300 2 0 "[ . 1 . ]" 1
62 1 8 ILE MG 1 14 PHE HA 0.000 . 3.300 3.376 2.866 3.753 0.453 5 0 "[ . 1 . ]" 1
63 1 8 ILE MG 1 14 PHE QD 0.000 . 5.000 3.755 3.324 4.161 . 0 0 "[ . 1 . ]" 1
64 1 8 ILE MG 1 14 PHE H 0.000 . 3.300 3.369 2.449 3.868 0.568 19 1 "[ . 1 . +]" 1
65 1 8 ILE MG 1 17 PHE QB 0.000 . 5.000 4.872 4.477 5.115 0.115 12 0 "[ . 1 . ]" 1
66 1 8 ILE MG 1 17 PHE QD 0.000 . 5.000 4.328 3.345 5.160 0.160 9 0 "[ . 1 . ]" 1
67 1 8 ILE MG 1 17 PHE QE 0.000 . 5.000 4.386 3.194 5.390 0.390 15 0 "[ . 1 . ]" 1
68 1 8 ILE H 1 9 ARG H 0.000 . 5.000 4.416 4.296 4.564 . 0 0 "[ . 1 . ]" 1
69 1 8 ILE HA 1 9 ARG H 0.000 . 2.700 2.215 2.181 2.307 . 0 0 "[ . 1 . ]" 1
70 1 3 TYR QE 1 9 ARG QG 0.000 . 5.000 17.871 16.153 19.060 14.060 5 19 [*-**+**************] 1
71 1 9 ARG HA 1 10 GLY H 0.000 . 2.700 2.266 2.205 2.388 . 0 0 "[ . 1 . ]" 1
72 1 9 ARG QG 1 10 GLY H 0.000 . 5.000 3.504 2.170 4.482 . 0 0 "[ . 1 . ]" 1
73 1 10 GLY HA3 1 11 ARG H 0.000 . 3.300 2.205 2.168 2.317 . 0 0 "[ . 1 . ]" 1
74 1 10 GLY HA2 1 11 ARG H 0.000 . 3.300 3.169 2.944 3.328 0.028 10 0 "[ . 1 . ]" 1
75 1 12 GLU H 1 12 GLU QB 0.000 . 3.300 2.277 2.084 2.763 . 0 0 "[ . 1 . ]" 1
76 1 12 GLU HA 1 15 GLU H 0.000 . 3.300 3.373 3.323 3.438 0.138 19 0 "[ . 1 . ]" 1
77 1 13 ARG HA 1 16 MET H 0.000 . 3.300 3.261 3.145 3.357 0.057 16 0 "[ . 1 . ]" 1
78 1 13 ARG H 1 14 PHE H 0.000 . 3.300 2.695 2.470 2.856 . 0 0 "[ . 1 . ]" 1
79 1 14 PHE H 1 15 GLU H 0.000 . 3.300 2.678 2.546 2.789 . 0 0 "[ . 1 . ]" 1
80 1 13 ARG HA 1 14 PHE H 0.000 . 5.000 3.552 3.476 3.574 . 0 0 "[ . 1 . ]" 1
81 1 14 PHE H 1 14 PHE QB 0.000 . 3.300 2.275 2.260 2.282 . 0 0 "[ . 1 . ]" 1
82 1 14 PHE H 1 14 PHE QD 0.000 . 3.300 4.196 4.157 4.206 0.906 7 19 [******+***********-] 1
83 1 14 PHE QD 1 18 ARG QD 0.000 . 5.000 4.124 2.988 5.801 0.801 15 1 "[ . 1 + ]" 1
84 1 14 PHE QE 1 18 ARG QD 0.000 . 5.000 2.979 1.863 4.877 . 0 0 "[ . 1 . ]" 1
85 1 15 GLU H 1 16 MET H 0.000 . 3.300 2.601 2.458 2.698 . 0 0 "[ . 1 . ]" 1
86 1 14 PHE HA 1 15 GLU H 0.000 . 5.000 3.543 3.515 3.583 . 0 0 "[ . 1 . ]" 1
87 1 14 PHE QD 1 15 GLU H 0.000 . 3.300 3.578 2.960 4.145 0.845 19 2 "[ . 1 . -+]" 1
88 1 14 PHE QB 1 15 GLU H 0.000 . 3.300 2.693 2.461 2.841 . 0 0 "[ . 1 . ]" 1
89 1 15 GLU H 1 15 GLU QG 0.000 . 3.300 2.590 1.862 3.136 . 0 0 "[ . 1 . ]" 1
90 1 15 GLU HA 1 18 ARG QB 0.000 . 3.300 2.046 1.912 2.440 . 0 0 "[ . 1 . ]" 1
91 1 15 GLU HA 1 16 MET H 0.000 . 3.300 3.548 3.520 3.573 0.273 19 0 "[ . 1 . ]" 1
92 1 16 MET H 1 17 PHE H 0.000 . 3.300 2.836 2.660 2.961 . 0 0 "[ . 1 . ]" 1
93 1 16 MET H 1 18 ARG H 0.000 . 5.000 3.939 3.821 4.103 . 0 0 "[ . 1 . ]" 1
94 1 16 MET H 1 16 MET HG3 0.000 . 5.000 2.610 1.847 3.255 . 0 0 "[ . 1 . ]" 1
95 1 16 MET H 1 16 MET HG2 0.000 . 5.000 3.679 2.866 4.248 . 0 0 "[ . 1 . ]" 1
96 1 16 MET H 1 16 MET QB 0.000 . 2.700 2.301 2.073 2.650 . 0 0 "[ . 1 . ]" 1
97 1 16 MET H 1 16 MET ME 0.000 . 2.700 3.927 3.600 4.177 1.477 15 19 [******-*******+****] 1
98 1 16 MET HA 1 16 MET HG3 0.000 . 3.300 2.768 2.342 3.304 0.004 1 0 "[ . 1 . ]" 1
99 1 16 MET HA 1 16 MET HG2 0.000 . 3.300 2.450 2.089 2.700 . 0 0 "[ . 1 . ]" 1
100 1 16 MET ME 1 16 MET HG3 0.000 . 3.300 3.043 2.591 3.325 0.025 2 0 "[ . 1 . ]" 1
101 1 16 MET ME 1 16 MET HG2 0.000 . 3.300 2.906 2.488 3.319 0.019 19 0 "[ . 1 . ]" 1
102 1 16 MET ME 1 17 PHE QD 0.000 . 5.000 3.518 2.714 4.297 . 0 0 "[ . 1 . ]" 1
103 1 16 MET ME 1 17 PHE QE 0.000 . 5.000 3.262 2.547 4.105 . 0 0 "[ . 1 . ]" 1
104 1 16 MET ME 1 17 PHE HZ 0.000 . 3.300 4.494 4.289 4.588 1.288 14 19 [***********-*+*****] 1
105 1 17 PHE H 1 18 ARG H 0.000 . 2.700 2.570 2.402 2.661 . 0 0 "[ . 1 . ]" 1
106 1 16 MET HA 1 17 PHE H 0.000 . 3.300 3.524 3.499 3.534 0.234 2 0 "[ . 1 . ]" 1
107 1 16 MET QB 1 17 PHE H 0.000 . 3.300 2.380 2.126 2.571 . 0 0 "[ . 1 . ]" 1
108 1 16 MET QG 1 17 PHE H 0.000 . 5.000 4.095 3.623 4.303 . 0 0 "[ . 1 . ]" 1
109 1 16 MET ME 1 17 PHE H 0.000 . 3.300 3.746 3.460 3.991 0.691 13 7 "[ . * * *+-* * ]" 1
110 1 17 PHE H 1 17 PHE HB3 0.000 . 3.300 3.511 3.485 3.540 0.240 12 0 "[ . 1 . ]" 1
111 1 17 PHE H 1 17 PHE HB2 0.000 . 3.300 2.245 2.181 2.331 . 0 0 "[ . 1 . ]" 1
112 1 17 PHE H 1 17 PHE QD 0.000 . 3.300 2.632 1.839 3.296 . 0 0 "[ . 1 . ]" 1
113 1 18 ARG H 1 19 GLU H 0.000 . 2.700 2.714 2.547 2.807 0.107 12 0 "[ . 1 . ]" 1
114 1 17 PHE HA 1 18 ARG H 0.000 . 3.300 3.474 3.439 3.514 0.214 12 0 "[ . 1 . ]" 1
115 1 15 GLU HA 1 18 ARG H 0.000 . 3.300 3.266 3.063 3.381 0.081 11 0 "[ . 1 . ]" 1
116 1 17 PHE HB3 1 18 ARG H 0.000 . 3.300 3.480 3.390 3.569 0.269 18 0 "[ . 1 . ]" 1
117 1 17 PHE HB2 1 18 ARG H 0.000 . 3.300 2.743 2.501 2.935 . 0 0 "[ . 1 . ]" 1
118 1 18 ARG HA 1 18 ARG QD 0.000 . 5.000 3.454 2.040 3.993 . 0 0 "[ . 1 . ]" 1
119 1 19 GLU H 1 21 ASN H 0.000 . 5.000 4.190 3.671 4.537 . 0 0 "[ . 1 . ]" 1
120 1 18 ARG HA 1 19 GLU H 0.000 . 3.300 3.535 3.509 3.558 0.258 18 0 "[ . 1 . ]" 1
121 1 15 GLU HA 1 19 GLU H 0.000 . 5.000 4.385 4.238 4.537 . 0 0 "[ . 1 . ]" 1
122 1 18 ARG QB 1 19 GLU H 0.000 . 3.300 2.757 2.552 2.899 . 0 0 "[ . 1 . ]" 1
123 1 18 ARG QG 1 19 GLU H 0.000 . 3.300 4.419 4.072 4.562 1.262 15 19 [****-*********+****] 1
124 1 19 GLU H 1 19 GLU QB 0.000 . 2.700 2.283 2.244 2.304 . 0 0 "[ . 1 . ]" 1
125 1 19 GLU QB 1 20 LEU QD 0.000 . 3.300 2.566 2.314 2.915 . 0 0 "[ . 1 . ]" 1
126 1 19 GLU H 1 20 LEU H 0.000 . 3.300 2.677 2.526 2.818 . 0 0 "[ . 1 . ]" 1
127 1 20 LEU H 1 21 ASN H 0.000 . 3.300 2.885 2.576 3.141 . 0 0 "[ . 1 . ]" 1
128 1 19 GLU HA 1 20 LEU H 0.000 . 3.300 3.586 3.557 3.612 0.312 15 0 "[ . 1 . ]" 1
129 1 19 GLU QB 1 20 LEU H 0.000 . 3.300 2.309 2.087 2.583 . 0 0 "[ . 1 . ]" 1
130 1 20 LEU H 1 20 LEU QD 0.000 . 3.300 1.925 1.798 2.320 . 0 0 "[ . 1 . ]" 1
131 1 20 LEU HA 1 20 LEU QD 0.000 . 2.700 1.765 1.731 1.801 . 0 0 "[ . 1 . ]" 1
132 1 17 PHE QD 1 20 LEU QD 0.000 . 3.300 3.224 2.703 4.080 0.780 6 3 "[ *.+ 1 . - ]" 1
133 1 20 LEU QD 1 22 GLU H 0.000 . 3.300 4.603 4.477 4.687 1.387 5 19 [**-*+**************] 1
134 1 16 MET QB 1 20 LEU QD 0.000 . 2.700 3.169 2.890 3.507 0.807 15 9 "[ - .* **1** *+ * ]" 1
135 1 16 MET ME 1 20 LEU H 0.000 . 3.300 6.196 5.829 6.425 3.125 7 19 [******+*******-****] 1
136 1 18 ARG HA 1 21 ASN H 0.000 . 5.000 3.951 3.435 4.417 . 0 0 "[ . 1 . ]" 1
137 1 20 LEU QD 1 21 ASN H 0.000 . 5.000 3.630 3.459 3.811 . 0 0 "[ . 1 . ]" 1
138 1 21 ASN H 1 21 ASN HB3 0.000 . 3.300 2.877 2.239 3.417 0.117 1 0 "[ . 1 . ]" 1
139 1 21 ASN H 1 21 ASN HB2 0.000 . 3.300 2.690 2.063 3.616 0.316 12 0 "[ . 1 . ]" 1
140 1 21 ASN H 1 21 ASN QD 0.000 . 5.000 3.817 2.778 4.627 . 0 0 "[ . 1 . ]" 1
141 1 22 GLU H 1 23 ALA H 0.000 . 2.700 2.682 2.551 2.811 0.111 18 0 "[ . 1 . ]" 1
142 1 21 ASN QD 1 22 GLU H 0.000 . 5.000 4.690 3.494 5.388 0.388 6 0 "[ . 1 . ]" 1
143 1 21 ASN QB 1 22 GLU H 0.000 . 3.300 3.178 2.728 3.697 0.397 13 0 "[ . 1 . ]" 1
144 1 22 GLU H 1 23 ALA MB 0.000 . 5.000 4.370 4.236 4.480 . 0 0 "[ . 1 . ]" 1
145 1 22 GLU H 1 24 LEU QD 0.000 . 5.000 4.747 4.380 5.100 0.100 11 0 "[ . 1 . ]" 1
146 1 22 GLU QG 1 23 ALA H 0.000 . 5.000 3.922 3.172 4.397 . 0 0 "[ . 1 . ]" 1
147 1 22 GLU QB 1 23 ALA H 0.000 . 3.300 2.511 2.382 2.682 . 0 0 "[ . 1 . ]" 1
148 1 23 ALA H 1 23 ALA MB 0.000 . 2.700 2.219 2.063 2.268 . 0 0 "[ . 1 . ]" 1
149 1 23 ALA HA 1 24 LEU QD 0.000 . 3.300 5.294 5.243 5.368 2.068 11 19 [*****-****+********] 1
150 1 23 ALA HA 1 26 LEU QB 0.000 . 3.300 2.138 1.978 2.361 . 0 0 "[ . 1 . ]" 1
151 1 23 ALA HA 1 26 LEU HG 0.000 . 3.300 3.336 3.268 3.419 0.119 12 0 "[ . 1 . ]" 1
152 1 23 ALA MB 1 26 LEU QB 0.000 . 3.300 3.692 3.535 3.881 0.581 18 1 "[ . 1 . + ]" 1
153 1 23 ALA MB 1 27 LYS H 0.000 . 5.000 4.657 4.594 4.792 . 0 0 "[ . 1 . ]" 1
154 1 20 LEU QD 1 24 LEU QD 0.000 . 5.000 3.651 3.189 4.213 . 0 0 "[ . 1 . ]" 1
155 1 24 LEU QD 1 27 LYS H 0.000 . 5.000 4.719 4.532 4.915 . 0 0 "[ . 1 . ]" 1
156 1 23 ALA H 1 24 LEU QD 0.000 . 5.000 4.584 4.347 4.811 . 0 0 "[ . 1 . ]" 1
157 1 24 LEU HA 1 24 LEU QD 0.000 . 3.300 2.021 1.830 2.286 . 0 0 "[ . 1 . ]" 1
158 1 24 LEU HA 1 26 LEU HG 0.000 . 5.000 4.666 4.461 4.993 . 0 0 "[ . 1 . ]" 1
159 1 24 LEU H 1 24 LEU MD1 0.000 . 3.300 3.361 3.239 3.584 0.284 11 0 "[ . 1 . ]" 1
160 1 24 LEU H 1 24 LEU MD2 0.000 . 3.300 3.361 3.261 3.471 0.171 14 0 "[ . 1 . ]" 1
161 1 22 GLU H 1 24 LEU H 0.000 . 5.000 4.148 3.951 4.279 . 0 0 "[ . 1 . ]" 1
162 1 24 LEU H 1 25 GLU H 0.000 . 3.300 2.850 2.707 2.939 . 0 0 "[ . 1 . ]" 1
163 1 23 ALA MB 1 24 LEU H 0.000 . 3.300 2.431 2.321 2.721 . 0 0 "[ . 1 . ]" 1
164 1 24 LEU H 1 24 LEU QD 0.000 . 2.700 2.993 2.912 3.136 0.436 11 0 "[ . 1 . ]" 1
165 1 23 ALA MB 1 24 LEU HG 0.000 . 3.300 3.212 3.037 3.560 0.260 13 0 "[ . 1 . ]" 1
166 1 24 LEU HA 1 25 GLU H 0.000 . 3.300 3.568 3.548 3.580 0.280 15 0 "[ . 1 . ]" 1
167 1 24 LEU QD 1 25 GLU H 0.000 . 5.000 3.884 3.760 3.989 . 0 0 "[ . 1 . ]" 1
168 1 25 GLU H 1 25 GLU QG 0.000 . 3.300 3.481 2.651 3.968 0.668 7 10 "[ * -*+**1* **. *]" 1
169 1 25 GLU HG3 1 26 LEU H 0.000 . 5.000 4.883 4.676 5.154 0.154 17 0 "[ . 1 . ]" 1
170 1 25 GLU HG2 1 26 LEU H 0.000 . 5.000 4.578 3.944 5.079 0.079 4 0 "[ . 1 . ]" 1
171 1 25 GLU H 1 26 LEU H 0.000 . 3.300 2.634 2.537 2.672 . 0 0 "[ . 1 . ]" 1
172 1 26 LEU H 1 27 LYS H 0.000 . 3.300 2.472 2.411 2.580 . 0 0 "[ . 1 . ]" 1
173 1 23 ALA HA 1 26 LEU H 0.000 . 3.300 3.141 3.045 3.264 . 0 0 "[ . 1 . ]" 1
174 1 25 GLU QG 1 26 LEU H 0.000 . 5.000 4.176 3.758 4.513 . 0 0 "[ . 1 . ]" 1
175 1 25 GLU QB 1 26 LEU H 0.000 . 3.300 2.848 2.686 2.997 . 0 0 "[ . 1 . ]" 1
176 1 23 ALA MB 1 26 LEU H 0.000 . 3.300 4.237 4.198 4.286 0.986 16 19 [*****-*********+***] 1
177 1 26 LEU H 1 26 LEU QD 0.000 . 3.300 3.448 3.279 3.515 0.215 13 0 "[ . 1 . ]" 1
178 1 26 LEU H 1 26 LEU HG 0.000 . 3.300 3.279 3.161 3.383 0.083 7 0 "[ . 1 . ]" 1
179 1 26 LEU HA 1 29 ALA MB 0.000 . 3.300 2.534 2.183 2.894 . 0 0 "[ . 1 . ]" 1
180 1 26 LEU HA 1 26 LEU HG 0.000 . 3.300 3.577 3.512 3.619 0.319 11 0 "[ . 1 . ]" 1
181 1 26 LEU HA 1 26 LEU QD 0.000 . 3.300 2.787 2.618 3.056 . 0 0 "[ . 1 . ]" 1
182 1 26 LEU QB 1 29 ALA MB 0.000 . 5.000 3.864 3.501 4.118 . 0 0 "[ . 1 . ]" 1
183 1 26 LEU QB 1 27 LYS H 0.000 . 3.300 3.325 3.225 3.412 0.112 19 0 "[ . 1 . ]" 1
184 1 26 LEU HG 1 30 GLN QG 0.000 . 3.300 3.726 3.597 3.907 0.607 14 4 "[- **. 1 +. ]" 1
185 1 26 LEU QD 1 29 ALA MB 0.000 . 3.300 3.434 3.112 3.755 0.455 19 0 "[ . 1 . ]" 1
186 1 27 LYS H 1 28 ASP H 0.000 . 3.300 2.604 2.537 2.678 . 0 0 "[ . 1 . ]" 1
187 1 26 LEU HA 1 27 LYS H 0.000 . 3.300 3.453 3.419 3.490 0.190 17 0 "[ . 1 . ]" 1
188 1 26 LEU HG 1 27 LYS H 0.000 . 3.300 2.444 2.194 2.724 . 0 0 "[ . 1 . ]" 1
189 1 24 LEU HA 1 27 LYS H 0.000 . 3.300 3.304 3.195 3.366 0.066 10 0 "[ . 1 . ]" 1
190 1 27 LYS H 1 28 ASP QB 0.000 . 5.000 4.376 4.254 4.617 . 0 0 "[ . 1 . ]" 1
191 1 26 LEU QD 1 27 LYS H 0.000 . 5.000 3.279 3.125 3.453 . 0 0 "[ . 1 . ]" 1
192 1 27 LYS QB 1 28 ASP H 0.000 . 3.300 2.468 2.361 2.556 . 0 0 "[ . 1 . ]" 1
193 1 28 ASP H 1 29 ALA H 0.000 . 2.700 2.598 2.451 2.715 0.015 16 0 "[ . 1 . ]" 1
194 1 25 GLU HA 1 28 ASP H 0.000 . 3.300 3.310 3.201 3.486 0.186 18 0 "[ . 1 . ]" 1
195 1 27 LYS HA 1 28 ASP H 0.000 . 3.300 3.510 3.494 3.523 0.223 5 0 "[ . 1 . ]" 1
196 1 28 ASP H 1 28 ASP HB3 0.000 . 2.700 3.044 2.545 3.567 0.867 3 8 "[**+ * 1 ** *- ]" 1
197 1 28 ASP H 1 28 ASP HB2 0.000 . 2.700 2.275 2.099 2.681 . 0 0 "[ . 1 . ]" 1
198 1 28 ASP H 1 29 ALA MB 0.000 . 5.000 4.322 4.138 4.480 . 0 0 "[ . 1 . ]" 1
199 1 28 ASP HA 1 31 ALA MB 0.000 . 3.300 6.438 4.763 8.337 5.037 7 19 [*-****+************] 1
200 1 29 ALA H 1 30 GLN H 0.000 . 3.300 2.667 2.250 3.324 0.024 11 0 "[ . 1 . ]" 1
201 1 28 ASP HA 1 29 ALA H 0.000 . 3.300 3.514 3.425 3.560 0.260 16 0 "[ . 1 . ]" 1
202 1 28 ASP HB3 1 29 ALA H 0.000 . 3.300 3.011 2.591 3.897 0.597 3 1 "[ + . 1 . ]" 1
203 1 28 ASP HB2 1 29 ALA H 0.000 . 3.300 3.581 2.982 4.082 0.782 4 5 "[ +.*- * . *]" 1
204 1 26 LEU QD 1 29 ALA H 0.000 . 5.000 4.073 3.830 4.505 . 0 0 "[ . 1 . ]" 1
205 1 29 ALA H 1 29 ALA MB 0.000 . 2.700 2.253 2.125 2.327 . 0 0 "[ . 1 . ]" 1
206 1 29 ALA MB 1 30 GLN QG 0.000 . 3.300 4.206 3.856 4.383 1.083 14 19 [**********-**+*****] 1
207 1 29 ALA MB 1 31 ALA HA 0.000 . 3.300 6.511 5.390 7.234 3.934 8 19 [*******+**-********] 1
208 1 27 LYS HA 1 30 GLN H 0.000 . 5.000 3.717 3.189 4.679 . 0 0 "[ . 1 . ]" 1
209 1 29 ALA HA 1 30 GLN H 0.000 . 2.700 3.209 2.702 3.465 0.765 11 12 "[ ***.* *-+** .** *]" 1
210 1 26 LEU QD 1 30 GLN H 0.000 . 5.000 3.883 3.145 4.751 . 0 0 "[ . 1 . ]" 1
211 1 30 GLN H 1 30 GLN QB 0.000 . 3.300 2.282 2.074 3.073 . 0 0 "[ . 1 . ]" 1
212 1 30 GLN H 1 30 GLN QG 0.000 . 3.300 3.075 2.400 3.862 0.562 18 1 "[ . 1 . + ]" 1
213 1 31 ALA H 1 31 ALA MB 0.000 . 3.300 2.610 2.073 2.940 . 0 0 "[ . 1 . ]" 1
214 1 6 LEU HG 1 8 ILE MD 0.000 . 5.000 4.318 3.658 5.003 0.003 10 0 "[ . 1 . ]" 1
215 1 5 THR HB 1 7 GLN HA 0.000 . 5.000 5.531 5.338 5.708 0.708 17 14 "[*** ***-** ** * +* ]" 1
216 1 6 LEU QD 1 8 ILE MG 0.000 . 3.300 4.275 3.895 4.556 1.256 4 19 [***+*******-*******] 1
217 1 6 LEU HA 1 8 ILE MG 0.000 . 5.000 6.819 6.675 6.973 1.973 15 19 [*************-+****] 1
218 1 6 LEU QD 1 21 ASN QB 0.000 . 5.000 5.225 4.417 5.787 0.787 18 6 "[* .* * 1* .- + ]" 1
219 1 6 LEU QD 1 18 ARG H 0.000 . 5.000 6.482 6.125 6.884 1.884 10 19 [*********+*******-*] 1
220 1 6 LEU QD 1 21 ASN H 0.000 . 5.000 6.568 6.017 6.924 1.924 11 19 [****-*****+********] 1
221 1 8 ILE MD 1 21 ASN QD 0.000 . 5.000 5.353 4.963 5.632 0.632 13 5 "[ * . 1 *+*. - ]" 1
222 1 6 LEU QD 2 17 PHE QB 0.000 . 5.000 1.895 1.725 2.165 . 0 0 "[ . 1 . ]" 1
223 1 6 LEU QD 2 21 ASN QD 0.000 . 5.000 1.830 1.597 2.298 . 0 0 "[ . 1 . ]" 1
224 1 24 LEU QD 2 16 MET ME 0.000 . 9.400 2.549 2.154 2.926 . 0 0 "[ . 1 . ]" 1
225 1 24 LEU QD 2 17 PHE QE 0.000 . 9.400 2.466 1.902 3.072 . 0 0 "[ . 1 . ]" 1
226 1 24 LEU QD 2 17 PHE HZ 0.000 . 7.200 2.276 1.824 2.825 . 0 0 "[ . 1 . ]" 1
227 1 5 THR HA 2 7 GLN HA 0.000 . 2.700 2.204 2.116 2.299 . 0 0 "[ . 1 . ]" 1
228 1 5 THR MG 2 7 GLN HA 0.000 . 4.800 3.218 3.050 3.375 . 0 0 "[ . 1 . ]" 1
229 1 6 LEU HA 2 14 PHE QD 0.000 . 7.000 5.264 4.774 5.635 . 0 0 "[ . 1 . ]" 1
230 1 6 LEU HA 2 14 PHE QE 0.000 . 7.000 3.178 2.498 3.575 . 0 0 "[ . 1 . ]" 1
231 1 6 LEU HA 2 14 PHE HZ 0.000 . 5.000 3.711 2.667 4.722 . 0 0 "[ . 1 . ]" 1
232 1 6 LEU QD 2 14 PHE QD 0.000 . 7.700 2.604 2.097 3.127 . 0 0 "[ . 1 . ]" 1
233 1 6 LEU QD 2 6 LEU HA 0.000 . 9.400 5.002 4.879 5.206 . 0 0 "[ . 1 . ]" 1
234 1 6 LEU QD 2 14 PHE QE 0.000 . 7.100 2.317 1.725 3.001 . 0 0 "[ . 1 . ]" 1
235 1 6 LEU QD 2 14 PHE HZ 0.000 . 5.500 3.344 3.072 3.678 . 0 0 "[ . 1 . ]" 1
236 1 6 LEU H 2 8 ILE H 0.000 . 5.000 4.433 3.986 4.589 . 0 0 "[ . 1 . ]" 1
237 1 7 GLN QB 2 3 TYR QD 0.000 . 8.000 3.368 2.343 5.721 . 0 0 "[ . 1 . ]" 1
238 1 7 GLN QB 2 3 TYR QE 0.000 . 8.000 4.116 2.159 6.727 . 0 0 "[ . 1 . ]" 1
239 1 7 GLN QB 2 5 THR HA 0.000 . 4.300 3.847 3.252 4.270 . 0 0 "[ . 1 . ]" 1
240 1 7 GLN QG 2 3 TYR QD 0.000 . 8.000 3.637 2.013 4.570 . 0 0 "[ . 1 . ]" 1
241 1 7 GLN QG 2 3 TYR QE 0.000 . 8.000 4.880 3.270 5.814 . 0 0 "[ . 1 . ]" 1
242 1 7 GLN QG 2 5 THR HA 0.000 . 4.300 2.911 2.406 3.730 . 0 0 "[ . 1 . ]" 1
243 1 7 GLN QG 2 5 THR MG 0.000 . 5.800 2.270 1.748 3.649 . 0 0 "[ . 1 . ]" 1
244 1 8 ILE H 2 5 THR MG 0.000 . 6.500 4.841 4.573 5.052 . 0 0 "[ . 1 . ]" 1
245 1 9 ARG HA 2 3 TYR HA 0.000 . 2.700 2.662 2.472 2.844 0.144 15 0 "[ . 1 . ]" 1
246 1 9 ARG QB 2 3 TYR QE 0.000 . 8.000 3.184 2.059 4.420 . 0 0 "[ . 1 . ]" 1
247 1 9 ARG QG 2 3 TYR QE 0.000 . 8.000 2.988 2.316 4.003 . 0 0 "[ . 1 . ]" 1
248 1 10 GLY H 2 3 TYR HA 0.000 . 5.000 3.738 3.524 4.083 . 0 0 "[ . 1 . ]" 1
249 1 5 THR MG 2 5 THR HA 0.000 . 4.800 3.522 3.411 3.663 . 0 0 "[ . 1 . ]" 1
250 1 5 THR MG 2 5 THR MG 0.000 . 5.700 1.575 1.533 1.706 . 0 0 "[ . 1 . ]" 1
251 1 5 THR HB 2 5 THR MG 0.000 . 4.200 3.179 3.020 3.388 . 0 0 "[ . 1 . ]" 1
252 1 5 THR HB 2 7 GLN HA 0.000 . 5.000 5.075 4.962 5.150 0.150 19 0 "[ . 1 . ]" 1
253 1 5 THR HB 2 5 THR HA 0.000 . 5.000 5.308 5.129 5.464 0.464 17 0 "[ . 1 . ]" 1
254 1 5 THR HG1 2 7 GLN QG 0.000 . 7.500 2.348 1.812 3.667 . 0 0 "[ . 1 . ]" 1
255 1 3 TYR QD 2 9 ARG QD 0.000 . 5.800 4.119 3.058 4.756 . 0 0 "[ . 1 . ]" 1
256 1 10 GLY H 2 3 TYR QE 0.000 . 7.000 5.968 4.758 6.538 . 0 0 "[ . 1 . ]" 1
257 1 30 GLN QG 4 26 LEU QD 0.000 . 7.400 1.797 1.706 1.967 . 0 0 "[ . 1 . ]" 1
258 1 30 GLN QG 4 26 LEU HG 0.000 . 6.000 4.271 4.103 4.440 . 0 0 "[ . 1 . ]" 1
259 1 26 LEU QD 4 26 LEU QD 0.000 . 7.100 1.567 1.496 1.764 . 0 0 "[ . 1 . ]" 1
260 1 26 LEU HG 4 26 LEU QD 0.000 . 4.300 1.863 1.796 2.091 . 0 0 "[ . 1 . ]" 1
261 1 30 GLN HB3 4 26 LEU QD 0.000 . 6.500 3.624 2.944 4.013 . 0 0 "[ . 1 . ]" 1
262 1 30 GLN HB2 4 26 LEU QD 0.000 . 6.500 3.302 2.559 3.953 . 0 0 "[ . 1 . ]" 1
263 1 2 GLU H 2 10 GLY O 0.000 . 2.300 2.237 2.104 2.327 0.027 4 0 "[ . 1 . ]" 1
264 1 2 GLU N 2 10 GLY O 0.000 . 3.300 3.168 3.067 3.304 0.004 13 0 "[ . 1 . ]" 1
265 1 10 GLY H 2 2 GLU O 0.000 . 2.300 2.274 2.107 2.396 0.096 19 0 "[ . 1 . ]" 1
266 1 10 GLY N 2 2 GLU O 0.000 . 3.300 3.091 2.911 3.174 . 0 0 "[ . 1 . ]" 1
267 1 4 PHE H 2 8 ILE O 0.000 . 2.300 2.314 2.111 2.377 0.077 14 0 "[ . 1 . ]" 1
268 1 4 PHE N 2 8 ILE O 0.000 . 3.300 3.275 3.073 3.337 0.037 19 0 "[ . 1 . ]" 1
269 1 8 ILE H 2 4 PHE O 0.000 . 2.300 2.266 2.099 2.416 0.116 17 0 "[ . 1 . ]" 1
270 1 8 ILE N 2 4 PHE O 0.000 . 3.300 3.087 2.960 3.173 . 0 0 "[ . 1 . ]" 1
271 1 6 LEU H 2 6 LEU O 0.000 . 2.300 2.092 2.074 2.127 . 0 0 "[ . 1 . ]" 1
272 1 6 LEU N 2 6 LEU O 0.000 . 3.300 2.830 2.752 2.992 . 0 0 "[ . 1 . ]" 1
273 2 2 GLU HA 2 3 TYR H 0.000 . 2.700 2.658 2.394 2.821 0.121 2 0 "[ . 1 . ]" 1
274 2 2 GLU QB 2 3 TYR H 0.000 . 3.300 2.188 1.852 3.329 0.029 7 0 "[ . 1 . ]" 1
275 2 2 GLU QG 2 3 TYR H 0.000 . 5.000 3.193 1.891 4.064 . 0 0 "[ . 1 . ]" 1
276 2 3 TYR H 2 4 PHE H 0.000 . 5.000 4.356 4.133 4.521 . 0 0 "[ . 1 . ]" 1
277 2 3 TYR H 2 3 TYR QB 0.000 . 2.700 2.291 2.208 2.486 . 0 0 "[ . 1 . ]" 1
278 2 3 TYR H 2 3 TYR QD 0.000 . 3.300 3.262 2.267 4.069 0.769 4 3 "[ * +. 1- . ]" 1
279 2 3 TYR QB 2 7 GLN QG 0.000 . 3.300 9.853 8.715 11.838 8.538 1 19 [+*****************-] 1
280 2 3 TYR HA 2 4 PHE H 0.000 . 2.700 2.205 2.186 2.254 . 0 0 "[ . 1 . ]" 1
281 2 3 TYR QB 2 4 PHE H 0.000 . 3.300 3.499 3.183 3.748 0.448 4 0 "[ . 1 . ]" 1
282 2 4 PHE H 2 4 PHE QD 0.000 . 3.300 2.905 2.233 3.504 0.204 19 0 "[ . 1 . ]" 1
283 2 4 PHE QD 2 5 THR H 0.000 . 5.000 3.630 3.087 4.216 . 0 0 "[ . 1 . ]" 1
284 2 4 PHE H 2 5 THR H 0.000 . 5.000 4.533 4.416 4.595 . 0 0 "[ . 1 . ]" 1
285 2 4 PHE HA 2 5 THR H 0.000 . 2.700 2.373 2.213 2.507 . 0 0 "[ . 1 . ]" 1
286 2 5 THR H 2 5 THR HB 0.000 . 3.300 3.188 3.134 3.241 . 0 0 "[ . 1 . ]" 1
287 2 6 LEU HA 2 8 ILE MD 0.000 . 3.300 4.454 4.145 4.768 1.468 10 19 [*********+***-*****] 1
288 2 5 THR HA 2 6 LEU H 0.000 . 2.700 2.230 2.158 2.259 . 0 0 "[ . 1 . ]" 1
289 2 5 THR HB 2 6 LEU H 0.000 . 3.300 3.514 3.397 3.803 0.503 19 1 "[ . 1 . +]" 1
290 2 5 THR MG 2 6 LEU H 0.000 . 3.300 2.640 2.470 3.022 . 0 0 "[ . 1 . ]" 1
291 2 6 LEU H 2 6 LEU HB3 0.000 . 3.300 3.261 3.088 3.419 0.119 1 0 "[ . 1 . ]" 1
292 2 6 LEU H 2 6 LEU HB2 0.000 . 3.300 2.497 2.306 2.600 . 0 0 "[ . 1 . ]" 1
293 2 6 LEU H 2 6 LEU QD 0.000 . 3.300 3.745 3.397 3.914 0.614 2 8 "[*+ ** - *** . ]" 1
294 2 6 LEU H 2 8 ILE MD 0.000 . 3.300 4.934 4.547 5.171 1.871 19 19 [*************-****+] 1
295 2 6 LEU H 2 14 PHE QD 0.000 . 5.000 6.847 6.448 7.256 2.256 19 19 [********-*********+] 1
296 2 6 LEU QD 2 14 PHE QD 0.000 . 3.300 4.860 4.445 5.237 1.937 1 19 [+****************-*] 1
297 2 6 LEU QD 2 14 PHE QE 0.000 . 3.300 5.059 4.659 5.377 2.077 13 19 [************+*****-] 1
298 2 6 LEU QD 2 14 PHE HZ 0.000 . 5.000 6.707 6.137 7.104 2.104 13 19 [************+*****-] 1
299 2 6 LEU QD 2 17 PHE QD 0.000 . 3.300 2.996 1.889 4.228 0.928 19 6 "[** . * 1- .* +]" 1
300 2 6 LEU QD 2 17 PHE QE 0.000 . 3.300 3.233 2.047 4.509 1.209 19 6 "[** . * 1* .- +]" 1
301 2 6 LEU QD 2 18 ARG HA 0.000 . 3.300 6.578 6.251 6.863 3.563 10 19 [****-****+*********] 1
302 2 6 LEU H 2 7 GLN H 0.000 . 5.000 3.755 3.637 3.874 . 0 0 "[ . 1 . ]" 1
303 2 7 GLN H 2 8 ILE H 0.000 . 5.000 4.431 4.346 4.520 . 0 0 "[ . 1 . ]" 1
304 2 6 LEU HA 2 7 GLN H 0.000 . 2.700 2.344 2.306 2.412 . 0 0 "[ . 1 . ]" 1
305 2 6 LEU QB 2 7 GLN H 0.000 . 3.300 3.918 3.885 3.945 0.645 12 19 [-**********+*******] 1
306 2 5 THR MG 2 7 GLN H 0.000 . 5.000 4.353 4.209 4.504 . 0 0 "[ . 1 . ]" 1
307 2 6 LEU QD 2 7 GLN H 0.000 . 5.000 3.889 3.292 4.273 . 0 0 "[ . 1 . ]" 1
308 2 6 LEU HG 2 7 GLN H 0.000 . 5.000 4.244 3.840 4.659 . 0 0 "[ . 1 . ]" 1
309 2 7 GLN H 2 7 GLN QB 0.000 . 2.700 2.321 2.089 2.531 . 0 0 "[ . 1 . ]" 1
310 2 7 GLN H 2 7 GLN QG 0.000 . 3.300 2.988 2.002 4.025 0.725 1 6 "[+ .- * ** .* ]" 1
311 2 7 GLN H 2 8 ILE MG 0.000 . 5.000 6.484 6.371 6.594 1.594 19 19 [*************-****+] 1
312 2 7 GLN H 2 8 ILE MD 0.000 . 5.000 4.842 4.483 5.121 0.121 10 0 "[ . 1 . ]" 1
313 2 7 GLN HA 2 7 GLN QG 0.000 . 2.700 2.296 2.080 2.473 . 0 0 "[ . 1 . ]" 1
314 2 7 GLN HA 2 8 ILE H 0.000 . 2.700 2.193 2.173 2.210 . 0 0 "[ . 1 . ]" 1
315 2 7 GLN QB 2 8 ILE H 0.000 . 5.000 3.621 3.308 3.945 . 0 0 "[ . 1 . ]" 1
316 2 7 GLN QG 2 8 ILE H 0.000 . 5.000 3.803 2.906 4.347 . 0 0 "[ . 1 . ]" 1
317 2 8 ILE H 2 8 ILE QG 0.000 . 5.000 2.950 2.683 3.147 . 0 0 "[ . 1 . ]" 1
318 2 8 ILE H 2 8 ILE MG 0.000 . 3.300 3.827 3.761 3.891 0.591 11 15 "[**-***** *+***.** ]" 1
319 2 8 ILE H 2 8 ILE MD 0.000 . 3.300 2.964 2.606 3.316 0.016 5 0 "[ . 1 . ]" 1
320 2 8 ILE HA 2 8 ILE MD 0.000 . 3.300 3.757 3.610 3.859 0.559 10 4 "[ . +-* . * ]" 1
321 2 8 ILE MD 2 14 PHE H 0.000 . 5.000 4.498 4.048 4.951 . 0 0 "[ . 1 . ]" 1
322 2 8 ILE MD 2 14 PHE HA 0.000 . 2.700 2.502 1.903 2.948 0.248 2 0 "[ . 1 . ]" 1
323 2 8 ILE MD 2 14 PHE QD 0.000 . 5.000 2.037 1.784 2.633 . 0 0 "[ . 1 . ]" 1
324 2 8 ILE MD 2 14 PHE QE 0.000 . 5.000 3.176 2.700 3.491 . 0 0 "[ . 1 . ]" 1
325 2 8 ILE MD 2 14 PHE HZ 0.000 . 5.000 5.111 4.832 5.410 0.410 13 0 "[ . 1 . ]" 1
326 2 8 ILE MD 2 17 PHE H 0.000 . 5.000 4.658 4.278 4.995 . 0 0 "[ . 1 . ]" 1
327 2 8 ILE MD 2 17 PHE QD 0.000 . 5.000 2.477 1.863 3.267 . 0 0 "[ . 1 . ]" 1
328 2 8 ILE MD 2 17 PHE QE 0.000 . 5.000 3.647 3.266 4.190 . 0 0 "[ . 1 . ]" 1
329 2 8 ILE MD 2 17 PHE HZ 0.000 . 5.000 5.231 4.842 5.509 0.509 16 1 "[ . 1 .+ ]" 1
330 2 8 ILE MD 2 18 ARG H 0.000 . 5.000 5.189 4.920 5.460 0.460 19 0 "[ . 1 . ]" 1
331 2 6 LEU QD 2 8 ILE QG 0.000 . 3.300 2.463 2.098 2.660 . 0 0 "[ . 1 . ]" 1
332 2 6 LEU QB 2 8 ILE QG 0.000 . 3.300 3.468 3.178 3.698 0.398 3 0 "[ . 1 . ]" 1
333 2 8 ILE MG 2 13 ARG HA 0.000 . 5.000 4.950 4.357 5.295 0.295 2 0 "[ . 1 . ]" 1
334 2 8 ILE MG 2 14 PHE HA 0.000 . 3.300 3.393 2.883 3.765 0.465 5 0 "[ . 1 . ]" 1
335 2 8 ILE MG 2 14 PHE QD 0.000 . 5.000 3.767 3.339 4.168 . 0 0 "[ . 1 . ]" 1
336 2 8 ILE MG 2 14 PHE H 0.000 . 3.300 3.343 2.441 3.853 0.553 19 1 "[ . 1 . +]" 1
337 2 8 ILE MG 2 17 PHE QB 0.000 . 5.000 4.864 4.458 5.120 0.120 12 0 "[ . 1 . ]" 1
338 2 8 ILE MG 2 17 PHE QD 0.000 . 5.000 4.297 3.287 5.155 0.155 9 0 "[ . 1 . ]" 1
339 2 8 ILE MG 2 17 PHE QE 0.000 . 5.000 4.361 3.116 5.369 0.369 15 0 "[ . 1 . ]" 1
340 2 8 ILE H 2 9 ARG H 0.000 . 5.000 4.412 4.287 4.557 . 0 0 "[ . 1 . ]" 1
341 2 8 ILE HA 2 9 ARG H 0.000 . 2.700 2.221 2.185 2.330 . 0 0 "[ . 1 . ]" 1
342 2 3 TYR QE 2 9 ARG QG 0.000 . 5.000 17.867 16.149 19.057 14.057 5 19 [*-**+**************] 1
343 2 9 ARG HA 2 10 GLY H 0.000 . 2.700 2.269 2.199 2.390 . 0 0 "[ . 1 . ]" 1
344 2 9 ARG QG 2 10 GLY H 0.000 . 5.000 3.512 2.150 4.473 . 0 0 "[ . 1 . ]" 1
345 2 10 GLY HA3 2 11 ARG H 0.000 . 3.300 2.208 2.180 2.301 . 0 0 "[ . 1 . ]" 1
346 2 10 GLY HA2 2 11 ARG H 0.000 . 3.300 3.182 2.973 3.355 0.055 10 0 "[ . 1 . ]" 1
347 2 12 GLU H 2 12 GLU QB 0.000 . 3.300 2.274 2.079 2.766 . 0 0 "[ . 1 . ]" 1
348 2 12 GLU HA 2 15 GLU H 0.000 . 3.300 3.427 3.342 3.521 0.221 19 0 "[ . 1 . ]" 1
349 2 13 ARG HA 2 16 MET H 0.000 . 3.300 3.262 3.128 3.407 0.107 16 0 "[ . 1 . ]" 1
350 2 13 ARG H 2 14 PHE H 0.000 . 3.300 2.707 2.496 2.876 . 0 0 "[ . 1 . ]" 1
351 2 14 PHE H 2 15 GLU H 0.000 . 3.300 2.687 2.548 2.807 . 0 0 "[ . 1 . ]" 1
352 2 13 ARG HA 2 14 PHE H 0.000 . 5.000 3.557 3.488 3.579 . 0 0 "[ . 1 . ]" 1
353 2 14 PHE H 2 14 PHE QB 0.000 . 3.300 2.267 2.252 2.276 . 0 0 "[ . 1 . ]" 1
354 2 14 PHE H 2 14 PHE QD 0.000 . 3.300 4.189 4.149 4.200 0.900 16 19 [***************+**-] 1
355 2 14 PHE QD 2 18 ARG QD 0.000 . 5.000 4.111 2.971 5.796 0.796 15 1 "[ . 1 + ]" 1
356 2 14 PHE QE 2 18 ARG QD 0.000 . 5.000 2.975 1.864 4.883 . 0 0 "[ . 1 . ]" 1
357 2 15 GLU H 2 16 MET H 0.000 . 3.300 2.602 2.425 2.715 . 0 0 "[ . 1 . ]" 1
358 2 14 PHE HA 2 15 GLU H 0.000 . 5.000 3.540 3.513 3.581 . 0 0 "[ . 1 . ]" 1
359 2 14 PHE QD 2 15 GLU H 0.000 . 3.300 3.574 2.934 4.140 0.840 19 2 "[ . 1 . -+]" 1
360 2 14 PHE QB 2 15 GLU H 0.000 . 3.300 2.681 2.417 2.837 . 0 0 "[ . 1 . ]" 1
361 2 15 GLU H 2 15 GLU QG 0.000 . 3.300 2.599 1.884 3.143 . 0 0 "[ . 1 . ]" 1
362 2 15 GLU HA 2 18 ARG QB 0.000 . 3.300 2.017 1.896 2.444 . 0 0 "[ . 1 . ]" 1
363 2 15 GLU HA 2 16 MET H 0.000 . 3.300 3.552 3.525 3.576 0.276 19 0 "[ . 1 . ]" 1
364 2 16 MET H 2 17 PHE H 0.000 . 3.300 2.861 2.683 2.990 . 0 0 "[ . 1 . ]" 1
365 2 16 MET H 2 18 ARG H 0.000 . 5.000 3.907 3.795 4.086 . 0 0 "[ . 1 . ]" 1
366 2 16 MET H 2 16 MET HG3 0.000 . 5.000 2.611 1.841 3.272 . 0 0 "[ . 1 . ]" 1
367 2 16 MET H 2 16 MET HG2 0.000 . 5.000 3.673 2.833 4.258 . 0 0 "[ . 1 . ]" 1
368 2 16 MET H 2 16 MET QB 0.000 . 2.700 2.312 2.076 2.678 . 0 0 "[ . 1 . ]" 1
369 2 16 MET H 2 16 MET ME 0.000 . 2.700 3.950 3.614 4.210 1.510 12 19 [******-****+*******] 1
370 2 16 MET HA 2 16 MET HG3 0.000 . 3.300 2.783 2.350 3.349 0.049 1 0 "[ . 1 . ]" 1
371 2 16 MET HA 2 16 MET HG2 0.000 . 3.300 2.470 2.099 2.731 . 0 0 "[ . 1 . ]" 1
372 2 16 MET ME 2 16 MET HG3 0.000 . 3.300 3.039 2.575 3.328 0.028 2 0 "[ . 1 . ]" 1
373 2 16 MET ME 2 16 MET HG2 0.000 . 3.300 2.907 2.502 3.328 0.028 19 0 "[ . 1 . ]" 1
374 2 16 MET ME 2 17 PHE QD 0.000 . 5.000 3.568 2.758 4.355 . 0 0 "[ . 1 . ]" 1
375 2 16 MET ME 2 17 PHE QE 0.000 . 5.000 3.312 2.537 4.159 . 0 0 "[ . 1 . ]" 1
376 2 16 MET ME 2 17 PHE HZ 0.000 . 3.300 4.553 4.268 4.746 1.446 14 19 [***********-*+*****] 1
377 2 17 PHE H 2 18 ARG H 0.000 . 2.700 2.614 2.441 2.706 0.006 1 0 "[ . 1 . ]" 1
378 2 16 MET HA 2 17 PHE H 0.000 . 3.300 3.572 3.546 3.581 0.281 7 0 "[ . 1 . ]" 1
379 2 16 MET QB 2 17 PHE H 0.000 . 3.300 2.383 2.116 2.580 . 0 0 "[ . 1 . ]" 1
380 2 16 MET QG 2 17 PHE H 0.000 . 5.000 4.105 3.607 4.330 . 0 0 "[ . 1 . ]" 1
381 2 16 MET ME 2 17 PHE H 0.000 . 3.300 3.761 3.471 4.023 0.723 13 7 "[ . **1 *+** - ]" 1
382 2 17 PHE H 2 17 PHE HB3 0.000 . 3.300 3.581 3.548 3.607 0.307 12 0 "[ . 1 . ]" 1
383 2 17 PHE H 2 17 PHE HB2 0.000 . 3.300 2.327 2.239 2.439 . 0 0 "[ . 1 . ]" 1
384 2 17 PHE H 2 17 PHE QD 0.000 . 3.300 2.630 1.844 3.291 . 0 0 "[ . 1 . ]" 1
385 2 18 ARG H 2 19 GLU H 0.000 . 2.700 2.681 2.501 2.846 0.146 12 0 "[ . 1 . ]" 1
386 2 17 PHE HA 2 18 ARG H 0.000 . 3.300 3.516 3.481 3.562 0.262 12 0 "[ . 1 . ]" 1
387 2 15 GLU HA 2 18 ARG H 0.000 . 3.300 3.205 2.997 3.310 0.010 11 0 "[ . 1 . ]" 1
388 2 17 PHE HB3 2 18 ARG H 0.000 . 3.300 3.631 3.495 3.767 0.467 18 0 "[ . 1 . ]" 1
389 2 17 PHE HB2 2 18 ARG H 0.000 . 3.300 2.848 2.546 3.054 . 0 0 "[ . 1 . ]" 1
390 2 18 ARG HA 2 18 ARG QD 0.000 . 5.000 3.464 2.056 3.995 . 0 0 "[ . 1 . ]" 1
391 2 19 GLU H 2 21 ASN H 0.000 . 5.000 4.171 3.657 4.521 . 0 0 "[ . 1 . ]" 1
392 2 18 ARG HA 2 19 GLU H 0.000 . 3.300 3.533 3.497 3.560 0.260 18 0 "[ . 1 . ]" 1
393 2 15 GLU HA 2 19 GLU H 0.000 . 5.000 4.377 4.230 4.571 . 0 0 "[ . 1 . ]" 1
394 2 18 ARG QB 2 19 GLU H 0.000 . 3.300 2.781 2.565 2.915 . 0 0 "[ . 1 . ]" 1
395 2 18 ARG QG 2 19 GLU H 0.000 . 3.300 4.431 4.079 4.583 1.283 15 19 [****-*********+****] 1
396 2 19 GLU H 2 19 GLU QB 0.000 . 2.700 2.281 2.245 2.307 . 0 0 "[ . 1 . ]" 1
397 2 19 GLU QB 2 20 LEU QD 0.000 . 3.300 2.546 2.285 2.916 . 0 0 "[ . 1 . ]" 1
398 2 19 GLU H 2 20 LEU H 0.000 . 3.300 2.671 2.494 2.851 . 0 0 "[ . 1 . ]" 1
399 2 20 LEU H 2 21 ASN H 0.000 . 3.300 2.884 2.569 3.139 . 0 0 "[ . 1 . ]" 1
400 2 19 GLU HA 2 20 LEU H 0.000 . 3.300 3.585 3.552 3.602 0.302 2 0 "[ . 1 . ]" 1
401 2 19 GLU QB 2 20 LEU H 0.000 . 3.300 2.305 2.037 2.601 . 0 0 "[ . 1 . ]" 1
402 2 20 LEU H 2 20 LEU QD 0.000 . 3.300 1.900 1.781 2.345 . 0 0 "[ . 1 . ]" 1
403 2 20 LEU HA 2 20 LEU QD 0.000 . 2.700 1.768 1.735 1.810 . 0 0 "[ . 1 . ]" 1
404 2 17 PHE QD 2 20 LEU QD 0.000 . 3.300 3.245 2.731 4.082 0.782 6 3 "[ *.+ 1 . - ]" 1
405 2 20 LEU QD 2 22 GLU H 0.000 . 3.300 4.583 4.451 4.699 1.399 5 19 [****+******-*******] 1
406 2 16 MET QB 2 20 LEU QD 0.000 . 2.700 3.188 2.883 3.568 0.868 15 9 "[ - .* **1** *+ * ]" 1
407 2 16 MET ME 2 20 LEU H 0.000 . 3.300 6.245 5.885 6.488 3.188 7 19 [******+*******-****] 1
408 2 18 ARG HA 2 21 ASN H 0.000 . 5.000 3.957 3.434 4.492 . 0 0 "[ . 1 . ]" 1
409 2 20 LEU QD 2 21 ASN H 0.000 . 5.000 3.613 3.446 3.823 . 0 0 "[ . 1 . ]" 1
410 2 21 ASN H 2 21 ASN HB3 0.000 . 3.300 2.888 2.230 3.460 0.160 1 0 "[ . 1 . ]" 1
411 2 21 ASN H 2 21 ASN HB2 0.000 . 3.300 2.693 2.074 3.610 0.310 12 0 "[ . 1 . ]" 1
412 2 21 ASN H 2 21 ASN QD 0.000 . 5.000 3.818 2.772 4.622 . 0 0 "[ . 1 . ]" 1
413 2 22 GLU H 2 23 ALA H 0.000 . 2.700 2.664 2.530 2.878 0.178 18 0 "[ . 1 . ]" 1
414 2 21 ASN QD 2 22 GLU H 0.000 . 5.000 4.698 3.480 5.436 0.436 6 0 "[ . 1 . ]" 1
415 2 21 ASN QB 2 22 GLU H 0.000 . 3.300 3.182 2.688 3.695 0.395 13 0 "[ . 1 . ]" 1
416 2 22 GLU H 2 23 ALA MB 0.000 . 5.000 4.349 4.227 4.508 . 0 0 "[ . 1 . ]" 1
417 2 22 GLU H 2 24 LEU QD 0.000 . 5.000 4.745 4.369 5.128 0.128 11 0 "[ . 1 . ]" 1
418 2 22 GLU QG 2 23 ALA H 0.000 . 5.000 3.921 3.155 4.391 . 0 0 "[ . 1 . ]" 1
419 2 22 GLU QB 2 23 ALA H 0.000 . 3.300 2.508 2.351 2.681 . 0 0 "[ . 1 . ]" 1
420 2 23 ALA H 2 23 ALA MB 0.000 . 2.700 2.220 2.059 2.266 . 0 0 "[ . 1 . ]" 1
421 2 23 ALA HA 2 24 LEU QD 0.000 . 3.300 5.315 5.248 5.397 2.097 11 19 [*****-****+********] 1
422 2 23 ALA HA 2 26 LEU QB 0.000 . 3.300 2.191 2.036 2.398 . 0 0 "[ . 1 . ]" 1
423 2 23 ALA HA 2 26 LEU HG 0.000 . 3.300 3.362 3.220 3.494 0.194 12 0 "[ . 1 . ]" 1
424 2 23 ALA MB 2 26 LEU QB 0.000 . 3.300 3.743 3.587 3.929 0.629 18 5 "[ *. 1 ** +-]" 1
425 2 23 ALA MB 2 27 LYS H 0.000 . 5.000 4.693 4.618 4.833 . 0 0 "[ . 1 . ]" 1
426 2 20 LEU QD 2 24 LEU QD 0.000 . 5.000 3.647 3.172 4.236 . 0 0 "[ . 1 . ]" 1
427 2 24 LEU QD 2 27 LYS H 0.000 . 5.000 4.725 4.543 4.923 . 0 0 "[ . 1 . ]" 1
428 2 23 ALA H 2 24 LEU QD 0.000 . 5.000 4.602 4.332 4.851 . 0 0 "[ . 1 . ]" 1
429 2 24 LEU HA 2 24 LEU QD 0.000 . 3.300 2.025 1.842 2.280 . 0 0 "[ . 1 . ]" 1
430 2 24 LEU HA 2 26 LEU HG 0.000 . 5.000 4.639 4.426 4.931 . 0 0 "[ . 1 . ]" 1
431 2 24 LEU H 2 24 LEU MD1 0.000 . 3.300 3.370 3.243 3.608 0.308 11 0 "[ . 1 . ]" 1
432 2 24 LEU H 2 24 LEU MD2 0.000 . 3.300 3.386 3.266 3.519 0.219 13 0 "[ . 1 . ]" 1
433 2 22 GLU H 2 24 LEU H 0.000 . 5.000 4.125 3.896 4.295 . 0 0 "[ . 1 . ]" 1
434 2 24 LEU H 2 25 GLU H 0.000 . 3.300 2.871 2.730 2.989 . 0 0 "[ . 1 . ]" 1
435 2 23 ALA MB 2 24 LEU H 0.000 . 3.300 2.433 2.318 2.726 . 0 0 "[ . 1 . ]" 1
436 2 24 LEU H 2 24 LEU QD 0.000 . 2.700 3.007 2.925 3.157 0.457 11 0 "[ . 1 . ]" 1
437 2 23 ALA MB 2 24 LEU HG 0.000 . 3.300 3.223 3.023 3.573 0.273 13 0 "[ . 1 . ]" 1
438 2 24 LEU HA 2 25 GLU H 0.000 . 3.300 3.576 3.557 3.587 0.287 15 0 "[ . 1 . ]" 1
439 2 24 LEU QD 2 25 GLU H 0.000 . 5.000 3.892 3.765 4.013 . 0 0 "[ . 1 . ]" 1
440 2 25 GLU H 2 25 GLU QG 0.000 . 3.300 3.494 2.660 3.989 0.689 7 10 "[ * -*+**1* **. *]" 1
441 2 25 GLU HG3 2 26 LEU H 0.000 . 5.000 4.840 4.591 5.182 0.182 17 0 "[ . 1 . ]" 1
442 2 25 GLU HG2 2 26 LEU H 0.000 . 5.000 4.531 3.853 5.064 0.064 4 0 "[ . 1 . ]" 1
443 2 25 GLU H 2 26 LEU H 0.000 . 3.300 2.624 2.527 2.666 . 0 0 "[ . 1 . ]" 1
444 2 26 LEU H 2 27 LYS H 0.000 . 3.300 2.547 2.466 2.638 . 0 0 "[ . 1 . ]" 1
445 2 23 ALA HA 2 26 LEU H 0.000 . 3.300 3.226 3.132 3.338 0.038 15 0 "[ . 1 . ]" 1
446 2 25 GLU QG 2 26 LEU H 0.000 . 5.000 4.134 3.679 4.507 . 0 0 "[ . 1 . ]" 1
447 2 25 GLU QB 2 26 LEU H 0.000 . 3.300 2.783 2.640 2.959 . 0 0 "[ . 1 . ]" 1
448 2 23 ALA MB 2 26 LEU H 0.000 . 3.300 4.324 4.261 4.427 1.127 16 19 [*****-*********+***] 1
449 2 26 LEU H 2 26 LEU QD 0.000 . 3.300 3.482 3.311 3.559 0.259 7 0 "[ . 1 . ]" 1
450 2 26 LEU H 2 26 LEU HG 0.000 . 3.300 3.325 3.202 3.487 0.187 7 0 "[ . 1 . ]" 1
451 2 26 LEU HA 2 29 ALA MB 0.000 . 3.300 2.538 2.166 2.916 . 0 0 "[ . 1 . ]" 1
452 2 26 LEU HA 2 26 LEU HG 0.000 . 3.300 3.615 3.551 3.658 0.358 15 0 "[ . 1 . ]" 1
453 2 26 LEU HA 2 26 LEU QD 0.000 . 3.300 2.838 2.638 3.093 . 0 0 "[ . 1 . ]" 1
454 2 26 LEU QB 2 29 ALA MB 0.000 . 5.000 3.880 3.509 4.182 . 0 0 "[ . 1 . ]" 1
455 2 26 LEU QB 2 27 LYS H 0.000 . 3.300 3.331 3.237 3.425 0.125 18 0 "[ . 1 . ]" 1
456 2 26 LEU HG 2 30 GLN QG 0.000 . 3.300 3.805 3.652 3.966 0.666 18 9 "[****. - 1 *** + ]" 1
457 2 26 LEU QD 2 29 ALA MB 0.000 . 3.300 3.475 3.146 3.793 0.493 19 0 "[ . 1 . ]" 1
458 2 27 LYS H 2 28 ASP H 0.000 . 3.300 2.662 2.599 2.729 . 0 0 "[ . 1 . ]" 1
459 2 26 LEU HA 2 27 LYS H 0.000 . 3.300 3.502 3.461 3.544 0.244 17 0 "[ . 1 . ]" 1
460 2 26 LEU HG 2 27 LYS H 0.000 . 3.300 2.397 2.151 2.690 . 0 0 "[ . 1 . ]" 1
461 2 24 LEU HA 2 27 LYS H 0.000 . 3.300 3.316 3.196 3.399 0.099 10 0 "[ . 1 . ]" 1
462 2 27 LYS H 2 28 ASP QB 0.000 . 5.000 4.418 4.290 4.751 . 0 0 "[ . 1 . ]" 1
463 2 26 LEU QD 2 27 LYS H 0.000 . 5.000 3.266 3.114 3.438 . 0 0 "[ . 1 . ]" 1
464 2 27 LYS QB 2 28 ASP H 0.000 . 3.300 2.499 2.395 2.596 . 0 0 "[ . 1 . ]" 1
465 2 28 ASP H 2 29 ALA H 0.000 . 2.700 2.576 2.399 2.716 0.016 16 0 "[ . 1 . ]" 1
466 2 25 GLU HA 2 28 ASP H 0.000 . 3.300 3.318 3.185 3.510 0.210 18 0 "[ . 1 . ]" 1
467 2 27 LYS HA 2 28 ASP H 0.000 . 3.300 3.552 3.538 3.566 0.266 5 0 "[ . 1 . ]" 1
468 2 28 ASP H 2 28 ASP HB3 0.000 . 2.700 3.020 2.506 3.617 0.917 3 6 "[*-+ . 1 ** * ]" 1
469 2 28 ASP H 2 28 ASP HB2 0.000 . 2.700 2.258 2.086 2.683 . 0 0 "[ . 1 . ]" 1
470 2 28 ASP H 2 29 ALA MB 0.000 . 5.000 4.301 4.120 4.463 . 0 0 "[ . 1 . ]" 1
471 2 28 ASP HA 2 31 ALA MB 0.000 . 3.300 6.425 4.749 8.325 5.025 7 19 [*-****+************] 1
472 2 29 ALA H 2 30 GLN H 0.000 . 3.300 2.642 2.232 3.286 . 0 0 "[ . 1 . ]" 1
473 2 28 ASP HA 2 29 ALA H 0.000 . 3.300 3.502 3.415 3.558 0.258 16 0 "[ . 1 . ]" 1
474 2 28 ASP HB3 2 29 ALA H 0.000 . 3.300 3.042 2.592 3.980 0.680 3 1 "[ + . 1 . ]" 1
475 2 28 ASP HB2 2 29 ALA H 0.000 . 3.300 3.598 3.043 4.095 0.795 4 5 "[ +.*- * . *]" 1
476 2 26 LEU QD 2 29 ALA H 0.000 . 5.000 4.082 3.836 4.530 . 0 0 "[ . 1 . ]" 1
477 2 29 ALA H 2 29 ALA MB 0.000 . 2.700 2.263 2.123 2.343 . 0 0 "[ . 1 . ]" 1
478 2 29 ALA MB 2 30 GLN QG 0.000 . 3.300 4.258 3.912 4.458 1.158 1 19 [+*********-********] 1
479 2 29 ALA MB 2 31 ALA HA 0.000 . 3.300 6.516 5.374 7.245 3.945 8 19 [*******+**-********] 1
480 2 27 LYS HA 2 30 GLN H 0.000 . 5.000 3.720 3.170 4.649 . 0 0 "[ . 1 . ]" 1
481 2 29 ALA HA 2 30 GLN H 0.000 . 2.700 3.221 2.697 3.500 0.800 11 12 "[ ***.* *-+** .** *]" 1
482 2 26 LEU QD 2 30 GLN H 0.000 . 5.000 3.892 3.145 4.752 . 0 0 "[ . 1 . ]" 1
483 2 30 GLN H 2 30 GLN QB 0.000 . 3.300 2.292 2.080 3.071 . 0 0 "[ . 1 . ]" 1
484 2 30 GLN H 2 30 GLN QG 0.000 . 3.300 3.122 2.433 3.901 0.601 18 2 "[ . - 1 . + ]" 1
485 2 31 ALA H 2 31 ALA MB 0.000 . 3.300 2.611 2.071 2.945 . 0 0 "[ . 1 . ]" 1
486 2 6 LEU HG 2 8 ILE MD 0.000 . 5.000 4.345 3.742 5.007 0.007 10 0 "[ . 1 . ]" 1
487 2 5 THR HB 2 7 GLN HA 0.000 . 5.000 5.392 5.265 5.508 0.508 17 1 "[ . 1 . + ]" 1
488 2 6 LEU QD 2 8 ILE MG 0.000 . 3.300 4.268 3.892 4.538 1.238 4 19 [***+*******-*******] 1
489 2 6 LEU HA 2 8 ILE MG 0.000 . 5.000 6.805 6.658 6.973 1.973 15 19 [*************-+****] 1
490 2 6 LEU QD 2 21 ASN QB 0.000 . 5.000 5.178 4.415 5.763 0.763 18 6 "[- .* * 1* .* + ]" 1
491 2 6 LEU QD 2 18 ARG H 0.000 . 5.000 6.504 6.176 6.818 1.818 10 19 [*********+*******-*] 1
492 2 6 LEU QD 2 21 ASN H 0.000 . 5.000 6.533 6.060 6.939 1.939 6 19 [****-+*************] 1
493 2 8 ILE MD 2 21 ASN QD 0.000 . 5.000 5.307 4.941 5.627 0.627 13 3 "[ - . 1 *+ . ]" 1
494 3 2 GLU HA 3 3 TYR H 0.000 . 2.700 2.663 2.396 2.823 0.123 2 0 "[ . 1 . ]" 1
495 3 2 GLU QB 3 3 TYR H 0.000 . 3.300 2.182 1.848 3.325 0.025 7 0 "[ . 1 . ]" 1
496 3 2 GLU QG 3 3 TYR H 0.000 . 5.000 3.192 1.890 4.064 . 0 0 "[ . 1 . ]" 1
497 3 3 TYR H 3 4 PHE H 0.000 . 5.000 4.353 4.126 4.519 . 0 0 "[ . 1 . ]" 1
498 3 3 TYR H 3 3 TYR QB 0.000 . 2.700 2.293 2.209 2.489 . 0 0 "[ . 1 . ]" 1
499 3 3 TYR H 3 3 TYR QD 0.000 . 3.300 3.268 2.270 4.068 0.768 4 3 "[ * +. 1- . ]" 1
500 3 3 TYR QB 3 7 GLN QG 0.000 . 3.300 9.848 8.705 11.837 8.537 1 19 [+*****************-] 1
501 3 3 TYR HA 3 4 PHE H 0.000 . 2.700 2.205 2.187 2.251 . 0 0 "[ . 1 . ]" 1
502 3 3 TYR QB 3 4 PHE H 0.000 . 3.300 3.500 3.188 3.749 0.449 4 0 "[ . 1 . ]" 1
503 3 4 PHE H 3 4 PHE QD 0.000 . 3.300 2.900 2.228 3.491 0.191 19 0 "[ . 1 . ]" 1
504 3 4 PHE QD 3 5 THR H 0.000 . 5.000 3.612 3.079 4.192 . 0 0 "[ . 1 . ]" 1
505 3 4 PHE H 3 5 THR H 0.000 . 5.000 4.530 4.420 4.589 . 0 0 "[ . 1 . ]" 1
506 3 4 PHE HA 3 5 THR H 0.000 . 2.700 2.384 2.211 2.550 . 0 0 "[ . 1 . ]" 1
507 3 5 THR H 3 5 THR HB 0.000 . 3.300 3.139 3.062 3.210 . 0 0 "[ . 1 . ]" 1
508 3 6 LEU HA 3 8 ILE MD 0.000 . 3.300 4.465 4.163 4.780 1.480 10 19 [*********+***-*****] 1
509 3 5 THR HA 3 6 LEU H 0.000 . 2.700 2.215 2.183 2.239 . 0 0 "[ . 1 . ]" 1
510 3 5 THR HB 3 6 LEU H 0.000 . 3.300 3.661 3.522 3.933 0.633 19 1 "[ . 1 . +]" 1
511 3 5 THR MG 3 6 LEU H 0.000 . 3.300 2.668 2.477 3.099 . 0 0 "[ . 1 . ]" 1
512 3 6 LEU H 3 6 LEU HB3 0.000 . 3.300 3.251 3.068 3.416 0.116 1 0 "[ . 1 . ]" 1
513 3 6 LEU H 3 6 LEU HB2 0.000 . 3.300 2.465 2.273 2.603 . 0 0 "[ . 1 . ]" 1
514 3 6 LEU H 3 6 LEU QD 0.000 . 3.300 3.739 3.421 3.900 0.600 2 7 "[-+ ** *** . ]" 1
515 3 6 LEU H 3 8 ILE MD 0.000 . 3.300 4.963 4.592 5.230 1.930 19 19 [*************-****+] 1
516 3 6 LEU H 3 14 PHE QD 0.000 . 5.000 6.894 6.483 7.306 2.306 19 19 [********-*********+] 1
517 3 6 LEU QD 3 14 PHE QD 0.000 . 3.300 4.869 4.455 5.244 1.944 1 19 [+****************-*] 1
518 3 6 LEU QD 3 14 PHE QE 0.000 . 3.300 5.069 4.674 5.385 2.085 13 19 [************+*****-] 1
519 3 6 LEU QD 3 14 PHE HZ 0.000 . 5.000 6.724 6.164 7.115 2.115 13 19 [************+*****-] 1
520 3 6 LEU QD 3 17 PHE QD 0.000 . 3.300 3.003 1.899 4.244 0.944 19 6 "[** . * 1- .* +]" 1
521 3 6 LEU QD 3 17 PHE QE 0.000 . 3.300 3.229 2.042 4.520 1.220 19 6 "[** . * 1* .- +]" 1
522 3 6 LEU QD 3 18 ARG HA 0.000 . 3.300 6.627 6.246 6.972 3.672 10 19 [****-****+*********] 1
523 3 6 LEU H 3 7 GLN H 0.000 . 5.000 3.842 3.765 3.921 . 0 0 "[ . 1 . ]" 1
524 3 7 GLN H 3 8 ILE H 0.000 . 5.000 4.429 4.357 4.521 . 0 0 "[ . 1 . ]" 1
525 3 6 LEU HA 3 7 GLN H 0.000 . 2.700 2.328 2.294 2.385 . 0 0 "[ . 1 . ]" 1
526 3 6 LEU QB 3 7 GLN H 0.000 . 3.300 3.920 3.877 3.952 0.652 18 19 [-****************+*] 1
527 3 5 THR MG 3 7 GLN H 0.000 . 5.000 4.320 4.187 4.502 . 0 0 "[ . 1 . ]" 1
528 3 6 LEU QD 3 7 GLN H 0.000 . 5.000 3.861 3.248 4.258 . 0 0 "[ . 1 . ]" 1
529 3 6 LEU HG 3 7 GLN H 0.000 . 5.000 4.197 3.782 4.601 . 0 0 "[ . 1 . ]" 1
530 3 7 GLN H 3 7 GLN QB 0.000 . 2.700 2.328 2.110 2.537 . 0 0 "[ . 1 . ]" 1
531 3 7 GLN H 3 7 GLN QG 0.000 . 3.300 3.005 2.025 4.030 0.730 1 6 "[+ .- * ** .* ]" 1
532 3 7 GLN H 3 8 ILE MG 0.000 . 5.000 6.469 6.373 6.582 1.582 15 19 [*************-+****] 1
533 3 7 GLN H 3 8 ILE MD 0.000 . 5.000 4.832 4.491 5.109 0.109 15 0 "[ . 1 . ]" 1
534 3 7 GLN HA 3 7 GLN QG 0.000 . 2.700 2.303 2.091 2.481 . 0 0 "[ . 1 . ]" 1
535 3 7 GLN HA 3 8 ILE H 0.000 . 2.700 2.191 2.176 2.203 . 0 0 "[ . 1 . ]" 1
536 3 7 GLN QB 3 8 ILE H 0.000 . 5.000 3.620 3.315 3.944 . 0 0 "[ . 1 . ]" 1
537 3 7 GLN QG 3 8 ILE H 0.000 . 5.000 3.807 2.914 4.354 . 0 0 "[ . 1 . ]" 1
538 3 8 ILE H 3 8 ILE QG 0.000 . 5.000 2.955 2.691 3.151 . 0 0 "[ . 1 . ]" 1
539 3 8 ILE H 3 8 ILE MG 0.000 . 3.300 3.826 3.757 3.890 0.590 11 16 "[******** *+***.**- ]" 1
540 3 8 ILE H 3 8 ILE MD 0.000 . 3.300 2.971 2.627 3.314 0.014 5 0 "[ . 1 . ]" 1
541 3 8 ILE HA 3 8 ILE MD 0.000 . 3.300 3.755 3.610 3.858 0.558 10 4 "[ . +-* . * ]" 1
542 3 8 ILE MD 3 14 PHE H 0.000 . 5.000 4.520 4.051 4.967 . 0 0 "[ . 1 . ]" 1
543 3 8 ILE MD 3 14 PHE HA 0.000 . 2.700 2.514 1.905 2.957 0.257 2 0 "[ . 1 . ]" 1
544 3 8 ILE MD 3 14 PHE QD 0.000 . 5.000 2.041 1.794 2.631 . 0 0 "[ . 1 . ]" 1
545 3 8 ILE MD 3 14 PHE QE 0.000 . 5.000 3.178 2.716 3.486 . 0 0 "[ . 1 . ]" 1
546 3 8 ILE MD 3 14 PHE HZ 0.000 . 5.000 5.114 4.842 5.407 0.407 13 0 "[ . 1 . ]" 1
547 3 8 ILE MD 3 17 PHE H 0.000 . 5.000 4.649 4.272 4.977 . 0 0 "[ . 1 . ]" 1
548 3 8 ILE MD 3 17 PHE QD 0.000 . 5.000 2.467 1.862 3.265 . 0 0 "[ . 1 . ]" 1
549 3 8 ILE MD 3 17 PHE QE 0.000 . 5.000 3.634 3.256 4.171 . 0 0 "[ . 1 . ]" 1
550 3 8 ILE MD 3 17 PHE HZ 0.000 . 5.000 5.217 4.844 5.452 0.452 16 0 "[ . 1 . ]" 1
551 3 8 ILE MD 3 18 ARG H 0.000 . 5.000 5.201 4.921 5.499 0.499 19 0 "[ . 1 . ]" 1
552 3 6 LEU QD 3 8 ILE QG 0.000 . 3.300 2.459 2.097 2.662 . 0 0 "[ . 1 . ]" 1
553 3 6 LEU QB 3 8 ILE QG 0.000 . 3.300 3.488 3.184 3.723 0.423 3 0 "[ . 1 . ]" 1
554 3 8 ILE MG 3 13 ARG HA 0.000 . 5.000 4.955 4.359 5.300 0.300 2 0 "[ . 1 . ]" 1
555 3 8 ILE MG 3 14 PHE HA 0.000 . 3.300 3.379 2.865 3.743 0.443 5 0 "[ . 1 . ]" 1
556 3 8 ILE MG 3 14 PHE QD 0.000 . 5.000 3.763 3.334 4.174 . 0 0 "[ . 1 . ]" 1
557 3 8 ILE MG 3 14 PHE H 0.000 . 3.300 3.364 2.454 3.870 0.570 19 2 "[- . 1 . +]" 1
558 3 8 ILE MG 3 17 PHE QB 0.000 . 5.000 4.868 4.459 5.139 0.139 12 0 "[ . 1 . ]" 1
559 3 8 ILE MG 3 17 PHE QD 0.000 . 5.000 4.300 3.294 5.157 0.157 9 0 "[ . 1 . ]" 1
560 3 8 ILE MG 3 17 PHE QE 0.000 . 5.000 4.365 3.144 5.359 0.359 15 0 "[ . 1 . ]" 1
561 3 8 ILE H 3 9 ARG H 0.000 . 5.000 4.412 4.280 4.562 . 0 0 "[ . 1 . ]" 1
562 3 8 ILE HA 3 9 ARG H 0.000 . 2.700 2.226 2.191 2.336 . 0 0 "[ . 1 . ]" 1
563 3 3 TYR QE 3 9 ARG QG 0.000 . 5.000 17.868 16.150 19.059 14.059 5 19 [*-**+**************] 1
564 3 9 ARG HA 3 10 GLY H 0.000 . 2.700 2.263 2.201 2.379 . 0 0 "[ . 1 . ]" 1
565 3 9 ARG QG 3 10 GLY H 0.000 . 5.000 3.500 2.147 4.466 . 0 0 "[ . 1 . ]" 1
566 3 10 GLY HA3 3 11 ARG H 0.000 . 3.300 2.211 2.180 2.315 . 0 0 "[ . 1 . ]" 1
567 3 10 GLY HA2 3 11 ARG H 0.000 . 3.300 3.179 2.957 3.351 0.051 10 0 "[ . 1 . ]" 1
568 3 12 GLU H 3 12 GLU QB 0.000 . 3.300 2.274 2.080 2.767 . 0 0 "[ . 1 . ]" 1
569 3 12 GLU HA 3 15 GLU H 0.000 . 3.300 3.422 3.342 3.522 0.222 19 0 "[ . 1 . ]" 1
570 3 13 ARG HA 3 16 MET H 0.000 . 3.300 3.265 3.132 3.414 0.114 16 0 "[ . 1 . ]" 1
571 3 13 ARG H 3 14 PHE H 0.000 . 3.300 2.701 2.488 2.867 . 0 0 "[ . 1 . ]" 1
572 3 14 PHE H 3 15 GLU H 0.000 . 3.300 2.686 2.544 2.809 . 0 0 "[ . 1 . ]" 1
573 3 13 ARG HA 3 14 PHE H 0.000 . 5.000 3.555 3.482 3.575 . 0 0 "[ . 1 . ]" 1
574 3 14 PHE H 3 14 PHE QB 0.000 . 3.300 2.272 2.258 2.280 . 0 0 "[ . 1 . ]" 1
575 3 14 PHE H 3 14 PHE QD 0.000 . 3.300 4.193 4.155 4.206 0.906 12 19 [***********+******-] 1
576 3 14 PHE QD 3 18 ARG QD 0.000 . 5.000 4.121 2.978 5.800 0.800 15 1 "[ . 1 + ]" 1
577 3 14 PHE QE 3 18 ARG QD 0.000 . 5.000 2.975 1.868 4.875 . 0 0 "[ . 1 . ]" 1
578 3 15 GLU H 3 16 MET H 0.000 . 3.300 2.613 2.444 2.725 . 0 0 "[ . 1 . ]" 1
579 3 14 PHE HA 3 15 GLU H 0.000 . 5.000 3.536 3.510 3.577 . 0 0 "[ . 1 . ]" 1
580 3 14 PHE QD 3 15 GLU H 0.000 . 3.300 3.560 2.923 4.127 0.827 19 2 "[ . 1 . -+]" 1
581 3 14 PHE QB 3 15 GLU H 0.000 . 3.300 2.677 2.423 2.831 . 0 0 "[ . 1 . ]" 1
582 3 15 GLU H 3 15 GLU QG 0.000 . 3.300 2.590 1.878 3.138 . 0 0 "[ . 1 . ]" 1
583 3 15 GLU HA 3 18 ARG QB 0.000 . 3.300 2.027 1.899 2.448 . 0 0 "[ . 1 . ]" 1
584 3 15 GLU HA 3 16 MET H 0.000 . 3.300 3.554 3.523 3.578 0.278 19 0 "[ . 1 . ]" 1
585 3 16 MET H 3 17 PHE H 0.000 . 3.300 2.858 2.684 2.981 . 0 0 "[ . 1 . ]" 1
586 3 16 MET H 3 18 ARG H 0.000 . 5.000 3.916 3.794 4.106 . 0 0 "[ . 1 . ]" 1
587 3 16 MET H 3 16 MET HG3 0.000 . 5.000 2.612 1.843 3.275 . 0 0 "[ . 1 . ]" 1
588 3 16 MET H 3 16 MET HG2 0.000 . 5.000 3.674 2.828 4.262 . 0 0 "[ . 1 . ]" 1
589 3 16 MET H 3 16 MET QB 0.000 . 2.700 2.314 2.078 2.674 . 0 0 "[ . 1 . ]" 1
590 3 16 MET H 3 16 MET ME 0.000 . 2.700 3.954 3.614 4.211 1.511 12 19 [******-****+*******] 1
591 3 16 MET HA 3 16 MET HG3 0.000 . 3.300 2.782 2.344 3.345 0.045 1 0 "[ . 1 . ]" 1
592 3 16 MET HA 3 16 MET HG2 0.000 . 3.300 2.471 2.100 2.737 . 0 0 "[ . 1 . ]" 1
593 3 16 MET ME 3 16 MET HG3 0.000 . 3.300 3.039 2.564 3.329 0.029 2 0 "[ . 1 . ]" 1
594 3 16 MET ME 3 16 MET HG2 0.000 . 3.300 2.904 2.496 3.328 0.028 19 0 "[ . 1 . ]" 1
595 3 16 MET ME 3 17 PHE QD 0.000 . 5.000 3.573 2.757 4.351 . 0 0 "[ . 1 . ]" 1
596 3 16 MET ME 3 17 PHE QE 0.000 . 5.000 3.309 2.554 4.142 . 0 0 "[ . 1 . ]" 1
597 3 16 MET ME 3 17 PHE HZ 0.000 . 3.300 4.547 4.264 4.741 1.441 14 19 [***********-*+*****] 1
598 3 17 PHE H 3 18 ARG H 0.000 . 2.700 2.613 2.447 2.703 0.003 1 0 "[ . 1 . ]" 1
599 3 16 MET HA 3 17 PHE H 0.000 . 3.300 3.572 3.544 3.583 0.283 2 0 "[ . 1 . ]" 1
600 3 16 MET QB 3 17 PHE H 0.000 . 3.300 2.394 2.136 2.580 . 0 0 "[ . 1 . ]" 1
601 3 16 MET QG 3 17 PHE H 0.000 . 5.000 4.111 3.610 4.332 . 0 0 "[ . 1 . ]" 1
602 3 16 MET ME 3 17 PHE H 0.000 . 3.300 3.780 3.478 4.028 0.728 13 8 "[ . **- *+** * ]" 1
603 3 17 PHE H 3 17 PHE HB3 0.000 . 3.300 3.580 3.549 3.607 0.307 18 0 "[ . 1 . ]" 1
604 3 17 PHE H 3 17 PHE HB2 0.000 . 3.300 2.325 2.240 2.436 . 0 0 "[ . 1 . ]" 1
605 3 17 PHE H 3 17 PHE QD 0.000 . 3.300 2.635 1.843 3.295 . 0 0 "[ . 1 . ]" 1
606 3 18 ARG H 3 19 GLU H 0.000 . 2.700 2.679 2.482 2.849 0.149 12 0 "[ . 1 . ]" 1
607 3 17 PHE HA 3 18 ARG H 0.000 . 3.300 3.515 3.477 3.565 0.265 12 0 "[ . 1 . ]" 1
608 3 15 GLU HA 3 18 ARG H 0.000 . 3.300 3.206 2.999 3.320 0.020 11 0 "[ . 1 . ]" 1
609 3 17 PHE HB3 3 18 ARG H 0.000 . 3.300 3.638 3.492 3.774 0.474 18 0 "[ . 1 . ]" 1
610 3 17 PHE HB2 3 18 ARG H 0.000 . 3.300 2.860 2.546 3.068 . 0 0 "[ . 1 . ]" 1
611 3 18 ARG HA 3 18 ARG QD 0.000 . 5.000 3.456 2.043 3.995 . 0 0 "[ . 1 . ]" 1
612 3 19 GLU H 3 21 ASN H 0.000 . 5.000 4.168 3.655 4.531 . 0 0 "[ . 1 . ]" 1
613 3 18 ARG HA 3 19 GLU H 0.000 . 3.300 3.530 3.492 3.562 0.262 18 0 "[ . 1 . ]" 1
614 3 15 GLU HA 3 19 GLU H 0.000 . 5.000 4.394 4.252 4.597 . 0 0 "[ . 1 . ]" 1
615 3 18 ARG QB 3 19 GLU H 0.000 . 3.300 2.790 2.566 2.911 . 0 0 "[ . 1 . ]" 1
616 3 18 ARG QG 3 19 GLU H 0.000 . 3.300 4.434 4.077 4.583 1.283 15 19 [****-*********+****] 1
617 3 19 GLU H 3 19 GLU QB 0.000 . 2.700 2.284 2.246 2.310 . 0 0 "[ . 1 . ]" 1
618 3 19 GLU QB 3 20 LEU QD 0.000 . 3.300 2.574 2.308 2.939 . 0 0 "[ . 1 . ]" 1
619 3 19 GLU H 3 20 LEU H 0.000 . 3.300 2.660 2.497 2.832 . 0 0 "[ . 1 . ]" 1
620 3 20 LEU H 3 21 ASN H 0.000 . 3.300 2.893 2.567 3.143 . 0 0 "[ . 1 . ]" 1
621 3 19 GLU HA 3 20 LEU H 0.000 . 3.300 3.584 3.555 3.602 0.302 9 0 "[ . 1 . ]" 1
622 3 19 GLU QB 3 20 LEU H 0.000 . 3.300 2.302 2.042 2.602 . 0 0 "[ . 1 . ]" 1
623 3 20 LEU H 3 20 LEU QD 0.000 . 3.300 1.946 1.812 2.376 . 0 0 "[ . 1 . ]" 1
624 3 20 LEU HA 3 20 LEU QD 0.000 . 2.700 1.762 1.729 1.801 . 0 0 "[ . 1 . ]" 1
625 3 17 PHE QD 3 20 LEU QD 0.000 . 3.300 3.239 2.704 4.089 0.789 6 3 "[ *.+ 1 . - ]" 1
626 3 20 LEU QD 3 22 GLU H 0.000 . 3.300 4.600 4.465 4.722 1.422 5 19 [**-*+**************] 1
627 3 16 MET QB 3 20 LEU QD 0.000 . 2.700 3.180 2.869 3.553 0.853 15 9 "[ - .* **1** *+ * ]" 1
628 3 16 MET ME 3 20 LEU H 0.000 . 3.300 6.238 5.868 6.487 3.187 7 19 [******+*******-****] 1
629 3 18 ARG HA 3 21 ASN H 0.000 . 5.000 3.953 3.411 4.498 . 0 0 "[ . 1 . ]" 1
630 3 20 LEU QD 3 21 ASN H 0.000 . 5.000 3.639 3.464 3.883 . 0 0 "[ . 1 . ]" 1
631 3 21 ASN H 3 21 ASN HB3 0.000 . 3.300 2.892 2.248 3.450 0.150 1 0 "[ . 1 . ]" 1
632 3 21 ASN H 3 21 ASN HB2 0.000 . 3.300 2.704 2.076 3.619 0.319 13 0 "[ . 1 . ]" 1
633 3 21 ASN H 3 21 ASN QD 0.000 . 5.000 3.827 2.738 4.657 . 0 0 "[ . 1 . ]" 1
634 3 22 GLU H 3 23 ALA H 0.000 . 2.700 2.651 2.509 2.862 0.162 18 0 "[ . 1 . ]" 1
635 3 21 ASN QD 3 22 GLU H 0.000 . 5.000 4.705 3.472 5.452 0.452 6 0 "[ . 1 . ]" 1
636 3 21 ASN QB 3 22 GLU H 0.000 . 3.300 3.192 2.719 3.695 0.395 13 0 "[ . 1 . ]" 1
637 3 22 GLU H 3 23 ALA MB 0.000 . 5.000 4.345 4.226 4.494 . 0 0 "[ . 1 . ]" 1
638 3 22 GLU H 3 24 LEU QD 0.000 . 5.000 4.743 4.368 5.129 0.129 1 0 "[ . 1 . ]" 1
639 3 22 GLU QG 3 23 ALA H 0.000 . 5.000 3.921 3.170 4.389 . 0 0 "[ . 1 . ]" 1
640 3 22 GLU QB 3 23 ALA H 0.000 . 3.300 2.509 2.354 2.677 . 0 0 "[ . 1 . ]" 1
641 3 23 ALA H 3 23 ALA MB 0.000 . 2.700 2.225 2.065 2.271 . 0 0 "[ . 1 . ]" 1
642 3 23 ALA HA 3 24 LEU QD 0.000 . 3.300 5.307 5.238 5.386 2.086 11 19 [*****-****+********] 1
643 3 23 ALA HA 3 26 LEU QB 0.000 . 3.300 2.219 2.070 2.417 . 0 0 "[ . 1 . ]" 1
644 3 23 ALA HA 3 26 LEU HG 0.000 . 3.300 3.390 3.241 3.513 0.213 12 0 "[ . 1 . ]" 1
645 3 23 ALA MB 3 26 LEU QB 0.000 . 3.300 3.773 3.630 3.948 0.648 18 7 "[ - *. 1 *** +*]" 1
646 3 23 ALA MB 3 27 LYS H 0.000 . 5.000 4.748 4.662 4.906 . 0 0 "[ . 1 . ]" 1
647 3 20 LEU QD 3 24 LEU QD 0.000 . 5.000 3.649 3.183 4.243 . 0 0 "[ . 1 . ]" 1
648 3 24 LEU QD 3 27 LYS H 0.000 . 5.000 4.729 4.546 4.920 . 0 0 "[ . 1 . ]" 1
649 3 23 ALA H 3 24 LEU QD 0.000 . 5.000 4.598 4.326 4.845 . 0 0 "[ . 1 . ]" 1
650 3 24 LEU HA 3 24 LEU QD 0.000 . 3.300 2.024 1.841 2.266 . 0 0 "[ . 1 . ]" 1
651 3 24 LEU HA 3 26 LEU HG 0.000 . 5.000 4.651 4.451 4.938 . 0 0 "[ . 1 . ]" 1
652 3 24 LEU H 3 24 LEU MD1 0.000 . 3.300 3.373 3.243 3.609 0.309 11 0 "[ . 1 . ]" 1
653 3 24 LEU H 3 24 LEU MD2 0.000 . 3.300 3.407 3.272 3.551 0.251 14 0 "[ . 1 . ]" 1
654 3 22 GLU H 3 24 LEU H 0.000 . 5.000 4.085 3.869 4.282 . 0 0 "[ . 1 . ]" 1
655 3 24 LEU H 3 25 GLU H 0.000 . 3.300 2.840 2.687 2.975 . 0 0 "[ . 1 . ]" 1
656 3 23 ALA MB 3 24 LEU H 0.000 . 3.300 2.503 2.344 2.772 . 0 0 "[ . 1 . ]" 1
657 3 24 LEU H 3 24 LEU QD 0.000 . 2.700 3.017 2.930 3.162 0.462 11 0 "[ . 1 . ]" 1
658 3 23 ALA MB 3 24 LEU HG 0.000 . 3.300 3.262 3.074 3.588 0.288 13 0 "[ . 1 . ]" 1
659 3 24 LEU HA 3 25 GLU H 0.000 . 3.300 3.575 3.556 3.587 0.287 15 0 "[ . 1 . ]" 1
660 3 24 LEU QD 3 25 GLU H 0.000 . 5.000 3.893 3.761 4.013 . 0 0 "[ . 1 . ]" 1
661 3 25 GLU H 3 25 GLU QG 0.000 . 3.300 3.495 2.660 3.989 0.689 7 10 "[ * -*+**1* **. *]" 1
662 3 25 GLU HG3 3 26 LEU H 0.000 . 5.000 4.846 4.593 5.185 0.185 17 0 "[ . 1 . ]" 1
663 3 25 GLU HG2 3 26 LEU H 0.000 . 5.000 4.534 3.845 5.072 0.072 4 0 "[ . 1 . ]" 1
664 3 25 GLU H 3 26 LEU H 0.000 . 3.300 2.635 2.533 2.677 . 0 0 "[ . 1 . ]" 1
665 3 26 LEU H 3 27 LYS H 0.000 . 3.300 2.546 2.463 2.630 . 0 0 "[ . 1 . ]" 1
666 3 23 ALA HA 3 26 LEU H 0.000 . 3.300 3.237 3.136 3.367 0.067 15 0 "[ . 1 . ]" 1
667 3 25 GLU QG 3 26 LEU H 0.000 . 5.000 4.138 3.673 4.513 . 0 0 "[ . 1 . ]" 1
668 3 25 GLU QB 3 26 LEU H 0.000 . 3.300 2.791 2.646 2.967 . 0 0 "[ . 1 . ]" 1
669 3 23 ALA MB 3 26 LEU H 0.000 . 3.300 4.362 4.302 4.484 1.184 16 19 [*****-*********+***] 1
670 3 26 LEU H 3 26 LEU QD 0.000 . 3.300 3.480 3.305 3.560 0.260 7 0 "[ . 1 . ]" 1
671 3 26 LEU H 3 26 LEU HG 0.000 . 3.300 3.327 3.214 3.488 0.188 7 0 "[ . 1 . ]" 1
672 3 26 LEU HA 3 29 ALA MB 0.000 . 3.300 2.543 2.172 2.925 . 0 0 "[ . 1 . ]" 1
673 3 26 LEU HA 3 26 LEU HG 0.000 . 3.300 3.613 3.550 3.656 0.356 15 0 "[ . 1 . ]" 1
674 3 26 LEU HA 3 26 LEU QD 0.000 . 3.300 2.843 2.641 3.104 . 0 0 "[ . 1 . ]" 1
675 3 26 LEU QB 3 29 ALA MB 0.000 . 5.000 3.881 3.508 4.197 . 0 0 "[ . 1 . ]" 1
676 3 26 LEU QB 3 27 LYS H 0.000 . 3.300 3.331 3.230 3.426 0.126 18 0 "[ . 1 . ]" 1
677 3 26 LEU HG 3 30 GLN QG 0.000 . 3.300 3.808 3.658 3.975 0.675 18 10 "[****. * 1 ***- + ]" 1
678 3 26 LEU QD 3 29 ALA MB 0.000 . 3.300 3.477 3.152 3.803 0.503 19 1 "[ . 1 . +]" 1
679 3 27 LYS H 3 28 ASP H 0.000 . 3.300 2.663 2.590 2.740 . 0 0 "[ . 1 . ]" 1
680 3 26 LEU HA 3 27 LYS H 0.000 . 3.300 3.500 3.458 3.543 0.243 17 0 "[ . 1 . ]" 1
681 3 26 LEU HG 3 27 LYS H 0.000 . 3.300 2.401 2.145 2.698 . 0 0 "[ . 1 . ]" 1
682 3 24 LEU HA 3 27 LYS H 0.000 . 3.300 3.326 3.210 3.414 0.114 10 0 "[ . 1 . ]" 1
683 3 27 LYS H 3 28 ASP QB 0.000 . 5.000 4.419 4.281 4.763 . 0 0 "[ . 1 . ]" 1
684 3 26 LEU QD 3 27 LYS H 0.000 . 5.000 3.270 3.115 3.441 . 0 0 "[ . 1 . ]" 1
685 3 27 LYS QB 3 28 ASP H 0.000 . 3.300 2.510 2.396 2.606 . 0 0 "[ . 1 . ]" 1
686 3 28 ASP H 3 29 ALA H 0.000 . 2.700 2.574 2.392 2.720 0.020 11 0 "[ . 1 . ]" 1
687 3 25 GLU HA 3 28 ASP H 0.000 . 3.300 3.330 3.212 3.520 0.220 18 0 "[ . 1 . ]" 1
688 3 27 LYS HA 3 28 ASP H 0.000 . 3.300 3.551 3.533 3.567 0.267 5 0 "[ . 1 . ]" 1
689 3 28 ASP H 3 28 ASP HB3 0.000 . 2.700 3.019 2.502 3.616 0.916 3 6 "[*-+ . 1 ** * ]" 1
690 3 28 ASP H 3 28 ASP HB2 0.000 . 2.700 2.257 2.084 2.682 . 0 0 "[ . 1 . ]" 1
691 3 28 ASP H 3 29 ALA MB 0.000 . 5.000 4.297 4.110 4.467 . 0 0 "[ . 1 . ]" 1
692 3 28 ASP HA 3 31 ALA MB 0.000 . 3.300 6.427 4.759 8.335 5.035 7 19 [*-****+************] 1
693 3 29 ALA H 3 30 GLN H 0.000 . 3.300 2.643 2.234 3.280 . 0 0 "[ . 1 . ]" 1
694 3 28 ASP HA 3 29 ALA H 0.000 . 3.300 3.501 3.413 3.560 0.260 16 0 "[ . 1 . ]" 1
695 3 28 ASP HB3 3 29 ALA H 0.000 . 3.300 3.045 2.590 3.983 0.683 3 1 "[ + . 1 . ]" 1
696 3 28 ASP HB2 3 29 ALA H 0.000 . 3.300 3.599 3.048 4.089 0.789 4 6 "[ +.** * - . *]" 1
697 3 26 LEU QD 3 29 ALA H 0.000 . 5.000 4.085 3.838 4.539 . 0 0 "[ . 1 . ]" 1
698 3 29 ALA H 3 29 ALA MB 0.000 . 2.700 2.262 2.118 2.349 . 0 0 "[ . 1 . ]" 1
699 3 29 ALA MB 3 30 GLN QG 0.000 . 3.300 4.256 3.909 4.464 1.164 1 19 [+*********-********] 1
700 3 29 ALA MB 3 31 ALA HA 0.000 . 3.300 6.520 5.369 7.250 3.950 8 19 [*******+**-********] 1
701 3 27 LYS HA 3 30 GLN H 0.000 . 5.000 3.727 3.168 4.659 . 0 0 "[ . 1 . ]" 1
702 3 29 ALA HA 3 30 GLN H 0.000 . 2.700 3.220 2.696 3.500 0.800 11 12 "[ ***.* *-+** .** *]" 1
703 3 26 LEU QD 3 30 GLN H 0.000 . 5.000 3.899 3.150 4.767 . 0 0 "[ . 1 . ]" 1
704 3 30 GLN H 3 30 GLN QB 0.000 . 3.300 2.292 2.080 3.072 . 0 0 "[ . 1 . ]" 1
705 3 30 GLN H 3 30 GLN QG 0.000 . 3.300 3.125 2.430 3.905 0.605 18 2 "[ . - 1 . + ]" 1
706 3 31 ALA H 3 31 ALA MB 0.000 . 3.300 2.610 2.075 2.944 . 0 0 "[ . 1 . ]" 1
707 3 6 LEU HG 3 8 ILE MD 0.000 . 5.000 4.332 3.711 5.023 0.023 10 0 "[ . 1 . ]" 1
708 3 5 THR HB 3 7 GLN HA 0.000 . 5.000 5.512 5.362 5.690 0.690 17 11 "[** * * ** -* * +* ]" 1
709 3 6 LEU QD 3 8 ILE MG 0.000 . 3.300 4.267 3.896 4.546 1.246 4 19 [***+*******-*******] 1
710 3 6 LEU HA 3 8 ILE MG 0.000 . 5.000 6.820 6.678 6.981 1.981 15 19 [*************-+****] 1
711 3 6 LEU QD 3 21 ASN QB 0.000 . 5.000 5.196 4.417 5.774 0.774 18 6 "[- .* * 1* .* + ]" 1
712 3 6 LEU QD 3 18 ARG H 0.000 . 5.000 6.528 6.203 6.874 1.874 10 19 [*********+*******-*] 1
713 3 6 LEU QD 3 21 ASN H 0.000 . 5.000 6.550 6.048 6.946 1.946 6 19 [****-+*************] 1
714 3 8 ILE MD 3 21 ASN QD 0.000 . 5.000 5.346 4.943 5.630 0.630 13 5 "[ * . *1 *+-. ]" 1
715 4 2 GLU HA 4 3 TYR H 0.000 . 2.700 2.661 2.394 2.817 0.117 2 0 "[ . 1 . ]" 1
716 4 2 GLU QB 4 3 TYR H 0.000 . 3.300 2.184 1.850 3.333 0.033 7 0 "[ . 1 . ]" 1
717 4 2 GLU QG 4 3 TYR H 0.000 . 5.000 3.193 1.892 4.061 . 0 0 "[ . 1 . ]" 1
718 4 3 TYR H 4 4 PHE H 0.000 . 5.000 4.354 4.137 4.521 . 0 0 "[ . 1 . ]" 1
719 4 3 TYR H 4 3 TYR QB 0.000 . 2.700 2.294 2.212 2.489 . 0 0 "[ . 1 . ]" 1
720 4 3 TYR H 4 3 TYR QD 0.000 . 3.300 3.269 2.272 4.070 0.770 4 3 "[ * +. 1- . ]" 1
721 4 3 TYR QB 4 7 GLN QG 0.000 . 3.300 9.847 8.701 11.832 8.532 1 19 [+*****************-] 1
722 4 3 TYR HA 4 4 PHE H 0.000 . 2.700 2.205 2.186 2.253 . 0 0 "[ . 1 . ]" 1
723 4 3 TYR QB 4 4 PHE H 0.000 . 3.300 3.501 3.192 3.748 0.448 4 0 "[ . 1 . ]" 1
724 4 4 PHE H 4 4 PHE QD 0.000 . 3.300 2.899 2.237 3.488 0.188 19 0 "[ . 1 . ]" 1
725 4 4 PHE QD 4 5 THR H 0.000 . 5.000 3.613 3.076 4.198 . 0 0 "[ . 1 . ]" 1
726 4 4 PHE H 4 5 THR H 0.000 . 5.000 4.531 4.420 4.589 . 0 0 "[ . 1 . ]" 1
727 4 4 PHE HA 4 5 THR H 0.000 . 2.700 2.384 2.211 2.547 . 0 0 "[ . 1 . ]" 1
728 4 5 THR H 4 5 THR HB 0.000 . 3.300 3.139 3.065 3.210 . 0 0 "[ . 1 . ]" 1
729 4 6 LEU HA 4 8 ILE MD 0.000 . 3.300 4.468 4.169 4.789 1.489 10 19 [*********+***-*****] 1
730 4 5 THR HA 4 6 LEU H 0.000 . 2.700 2.215 2.187 2.238 . 0 0 "[ . 1 . ]" 1
731 4 5 THR HB 4 6 LEU H 0.000 . 3.300 3.660 3.522 3.937 0.637 19 1 "[ . 1 . +]" 1
732 4 5 THR MG 4 6 LEU H 0.000 . 3.300 2.665 2.470 3.103 . 0 0 "[ . 1 . ]" 1
733 4 6 LEU H 4 6 LEU HB3 0.000 . 3.300 3.250 3.069 3.415 0.115 1 0 "[ . 1 . ]" 1
734 4 6 LEU H 4 6 LEU HB2 0.000 . 3.300 2.465 2.272 2.604 . 0 0 "[ . 1 . ]" 1
735 4 6 LEU H 4 6 LEU QD 0.000 . 3.300 3.738 3.417 3.897 0.597 2 7 "[-+ ** *** . ]" 1
736 4 6 LEU H 4 8 ILE MD 0.000 . 3.300 4.964 4.590 5.229 1.929 19 19 [*************-****+] 1
737 4 6 LEU H 4 14 PHE QD 0.000 . 5.000 6.897 6.481 7.309 2.309 19 19 [********-*********+] 1
738 4 6 LEU QD 4 14 PHE QD 0.000 . 3.300 4.868 4.449 5.241 1.941 1 19 [+****************-*] 1
739 4 6 LEU QD 4 14 PHE QE 0.000 . 3.300 5.068 4.683 5.379 2.079 13 19 [************+*****-] 1
740 4 6 LEU QD 4 14 PHE HZ 0.000 . 5.000 6.723 6.173 7.109 2.109 13 19 [************+*****-] 1
741 4 6 LEU QD 4 17 PHE QD 0.000 . 3.300 3.004 1.904 4.245 0.945 19 6 "[** . * 1- .* +]" 1
742 4 6 LEU QD 4 17 PHE QE 0.000 . 3.300 3.230 2.038 4.525 1.225 19 6 "[** . * 1* .- +]" 1
743 4 6 LEU QD 4 18 ARG HA 0.000 . 3.300 6.631 6.254 6.976 3.676 10 19 [****-****+*********] 1
744 4 6 LEU H 4 7 GLN H 0.000 . 5.000 3.841 3.762 3.916 . 0 0 "[ . 1 . ]" 1
745 4 7 GLN H 4 8 ILE H 0.000 . 5.000 4.429 4.359 4.521 . 0 0 "[ . 1 . ]" 1
746 4 6 LEU HA 4 7 GLN H 0.000 . 2.700 2.329 2.293 2.386 . 0 0 "[ . 1 . ]" 1
747 4 6 LEU QB 4 7 GLN H 0.000 . 3.300 3.919 3.875 3.954 0.654 18 19 [-****************+*] 1
748 4 5 THR MG 4 7 GLN H 0.000 . 5.000 4.318 4.179 4.495 . 0 0 "[ . 1 . ]" 1
749 4 6 LEU QD 4 7 GLN H 0.000 . 5.000 3.862 3.248 4.259 . 0 0 "[ . 1 . ]" 1
750 4 6 LEU HG 4 7 GLN H 0.000 . 5.000 4.199 3.784 4.604 . 0 0 "[ . 1 . ]" 1
751 4 7 GLN H 4 7 GLN QB 0.000 . 2.700 2.327 2.109 2.534 . 0 0 "[ . 1 . ]" 1
752 4 7 GLN H 4 7 GLN QG 0.000 . 3.300 3.004 2.024 4.028 0.728 1 6 "[+ .- * ** .* ]" 1
753 4 7 GLN H 4 8 ILE MG 0.000 . 5.000 6.469 6.376 6.584 1.584 15 19 [*************-+****] 1
754 4 7 GLN H 4 8 ILE MD 0.000 . 5.000 4.836 4.498 5.120 0.120 15 0 "[ . 1 . ]" 1
755 4 7 GLN HA 4 7 GLN QG 0.000 . 2.700 2.302 2.089 2.481 . 0 0 "[ . 1 . ]" 1
756 4 7 GLN HA 4 8 ILE H 0.000 . 2.700 2.192 2.178 2.206 . 0 0 "[ . 1 . ]" 1
757 4 7 GLN QB 4 8 ILE H 0.000 . 5.000 3.621 3.317 3.948 . 0 0 "[ . 1 . ]" 1
758 4 7 GLN QG 4 8 ILE H 0.000 . 5.000 3.806 2.909 4.353 . 0 0 "[ . 1 . ]" 1
759 4 8 ILE H 4 8 ILE QG 0.000 . 5.000 2.956 2.690 3.150 . 0 0 "[ . 1 . ]" 1
760 4 8 ILE H 4 8 ILE MG 0.000 . 3.300 3.826 3.758 3.892 0.592 11 16 "[******** *+***.**- ]" 1
761 4 8 ILE H 4 8 ILE MD 0.000 . 3.300 2.972 2.626 3.312 0.012 5 0 "[ . 1 . ]" 1
762 4 8 ILE HA 4 8 ILE MD 0.000 . 3.300 3.753 3.606 3.857 0.557 10 4 "[ . +-* . * ]" 1
763 4 8 ILE MD 4 14 PHE H 0.000 . 5.000 4.523 4.050 4.971 . 0 0 "[ . 1 . ]" 1
764 4 8 ILE MD 4 14 PHE HA 0.000 . 2.700 2.515 1.905 2.959 0.259 2 0 "[ . 1 . ]" 1
765 4 8 ILE MD 4 14 PHE QD 0.000 . 5.000 2.040 1.785 2.639 . 0 0 "[ . 1 . ]" 1
766 4 8 ILE MD 4 14 PHE QE 0.000 . 5.000 3.176 2.720 3.486 . 0 0 "[ . 1 . ]" 1
767 4 8 ILE MD 4 14 PHE HZ 0.000 . 5.000 5.112 4.846 5.407 0.407 13 0 "[ . 1 . ]" 1
768 4 8 ILE MD 4 17 PHE H 0.000 . 5.000 4.649 4.275 4.977 . 0 0 "[ . 1 . ]" 1
769 4 8 ILE MD 4 17 PHE QD 0.000 . 5.000 2.465 1.867 3.258 . 0 0 "[ . 1 . ]" 1
770 4 8 ILE MD 4 17 PHE QE 0.000 . 5.000 3.635 3.247 4.166 . 0 0 "[ . 1 . ]" 1
771 4 8 ILE MD 4 17 PHE HZ 0.000 . 5.000 5.219 4.842 5.450 0.450 16 0 "[ . 1 . ]" 1
772 4 8 ILE MD 4 18 ARG H 0.000 . 5.000 5.204 4.929 5.496 0.496 19 0 "[ . 1 . ]" 1
773 4 6 LEU QD 4 8 ILE QG 0.000 . 3.300 2.456 2.093 2.661 . 0 0 "[ . 1 . ]" 1
774 4 6 LEU QB 4 8 ILE QG 0.000 . 3.300 3.484 3.187 3.717 0.417 3 0 "[ . 1 . ]" 1
775 4 8 ILE MG 4 13 ARG HA 0.000 . 5.000 4.954 4.355 5.298 0.298 2 0 "[ . 1 . ]" 1
776 4 8 ILE MG 4 14 PHE HA 0.000 . 3.300 3.374 2.860 3.736 0.436 5 0 "[ . 1 . ]" 1
777 4 8 ILE MG 4 14 PHE QD 0.000 . 5.000 3.758 3.326 4.166 . 0 0 "[ . 1 . ]" 1
778 4 8 ILE MG 4 14 PHE H 0.000 . 3.300 3.363 2.449 3.860 0.560 19 2 "[- . 1 . +]" 1
779 4 8 ILE MG 4 17 PHE QB 0.000 . 5.000 4.864 4.453 5.132 0.132 12 0 "[ . 1 . ]" 1
780 4 8 ILE MG 4 17 PHE QD 0.000 . 5.000 4.299 3.285 5.152 0.152 9 0 "[ . 1 . ]" 1
781 4 8 ILE MG 4 17 PHE QE 0.000 . 5.000 4.367 3.154 5.369 0.369 15 0 "[ . 1 . ]" 1
782 4 8 ILE H 4 9 ARG H 0.000 . 5.000 4.412 4.285 4.563 . 0 0 "[ . 1 . ]" 1
783 4 8 ILE HA 4 9 ARG H 0.000 . 2.700 2.223 2.188 2.334 . 0 0 "[ . 1 . ]" 1
784 4 3 TYR QE 4 9 ARG QG 0.000 . 5.000 17.863 16.147 19.051 14.051 5 19 [*-**+**************] 1
785 4 9 ARG HA 4 10 GLY H 0.000 . 2.700 2.262 2.197 2.376 . 0 0 "[ . 1 . ]" 1
786 4 9 ARG QG 4 10 GLY H 0.000 . 5.000 3.493 2.147 4.460 . 0 0 "[ . 1 . ]" 1
787 4 10 GLY HA3 4 11 ARG H 0.000 . 3.300 2.211 2.181 2.313 . 0 0 "[ . 1 . ]" 1
788 4 10 GLY HA2 4 11 ARG H 0.000 . 3.300 3.178 2.956 3.352 0.052 10 0 "[ . 1 . ]" 1
789 4 12 GLU H 4 12 GLU QB 0.000 . 3.300 2.274 2.082 2.766 . 0 0 "[ . 1 . ]" 1
790 4 12 GLU HA 4 15 GLU H 0.000 . 3.300 3.421 3.341 3.522 0.222 19 0 "[ . 1 . ]" 1
791 4 13 ARG HA 4 16 MET H 0.000 . 3.300 3.264 3.131 3.411 0.111 16 0 "[ . 1 . ]" 1
792 4 13 ARG H 4 14 PHE H 0.000 . 3.300 2.703 2.488 2.865 . 0 0 "[ . 1 . ]" 1
793 4 14 PHE H 4 15 GLU H 0.000 . 3.300 2.684 2.548 2.807 . 0 0 "[ . 1 . ]" 1
794 4 13 ARG HA 4 14 PHE H 0.000 . 5.000 3.555 3.484 3.575 . 0 0 "[ . 1 . ]" 1
795 4 14 PHE H 4 14 PHE QB 0.000 . 3.300 2.273 2.260 2.282 . 0 0 "[ . 1 . ]" 1
796 4 14 PHE H 4 14 PHE QD 0.000 . 3.300 4.194 4.155 4.208 0.908 12 19 [***********+******-] 1
797 4 14 PHE QD 4 18 ARG QD 0.000 . 5.000 4.121 2.980 5.801 0.801 15 1 "[ . 1 + ]" 1
798 4 14 PHE QE 4 18 ARG QD 0.000 . 5.000 2.975 1.863 4.881 . 0 0 "[ . 1 . ]" 1
799 4 15 GLU H 4 16 MET H 0.000 . 3.300 2.613 2.444 2.727 . 0 0 "[ . 1 . ]" 1
800 4 14 PHE HA 4 15 GLU H 0.000 . 5.000 3.536 3.511 3.578 . 0 0 "[ . 1 . ]" 1
801 4 14 PHE QD 4 15 GLU H 0.000 . 3.300 3.563 2.920 4.126 0.826 19 2 "[ . 1 . -+]" 1
802 4 14 PHE QB 4 15 GLU H 0.000 . 3.300 2.678 2.421 2.839 . 0 0 "[ . 1 . ]" 1
803 4 15 GLU H 4 15 GLU QG 0.000 . 3.300 2.592 1.878 3.135 . 0 0 "[ . 1 . ]" 1
804 4 15 GLU HA 4 18 ARG QB 0.000 . 3.300 2.027 1.901 2.445 . 0 0 "[ . 1 . ]" 1
805 4 15 GLU HA 4 16 MET H 0.000 . 3.300 3.554 3.524 3.579 0.279 19 0 "[ . 1 . ]" 1
806 4 16 MET H 4 17 PHE H 0.000 . 3.300 2.859 2.679 2.982 . 0 0 "[ . 1 . ]" 1
807 4 16 MET H 4 18 ARG H 0.000 . 5.000 3.912 3.793 4.105 . 0 0 "[ . 1 . ]" 1
808 4 16 MET H 4 16 MET HG3 0.000 . 5.000 2.613 1.841 3.276 . 0 0 "[ . 1 . ]" 1
809 4 16 MET H 4 16 MET HG2 0.000 . 5.000 3.675 2.824 4.260 . 0 0 "[ . 1 . ]" 1
810 4 16 MET H 4 16 MET QB 0.000 . 2.700 2.314 2.080 2.678 . 0 0 "[ . 1 . ]" 1
811 4 16 MET H 4 16 MET ME 0.000 . 2.700 3.954 3.618 4.209 1.509 12 19 [******-****+*******] 1
812 4 16 MET HA 4 16 MET HG3 0.000 . 3.300 2.782 2.346 3.346 0.046 1 0 "[ . 1 . ]" 1
813 4 16 MET HA 4 16 MET HG2 0.000 . 3.300 2.470 2.101 2.737 . 0 0 "[ . 1 . ]" 1
814 4 16 MET ME 4 16 MET HG3 0.000 . 3.300 3.039 2.574 3.328 0.028 2 0 "[ . 1 . ]" 1
815 4 16 MET ME 4 16 MET HG2 0.000 . 3.300 2.904 2.501 3.328 0.028 19 0 "[ . 1 . ]" 1
816 4 16 MET ME 4 17 PHE QD 0.000 . 5.000 3.572 2.758 4.351 . 0 0 "[ . 1 . ]" 1
817 4 16 MET ME 4 17 PHE QE 0.000 . 5.000 3.308 2.558 4.132 . 0 0 "[ . 1 . ]" 1
818 4 16 MET ME 4 17 PHE HZ 0.000 . 3.300 4.546 4.264 4.734 1.434 14 19 [***********-*+*****] 1
819 4 17 PHE H 4 18 ARG H 0.000 . 2.700 2.614 2.449 2.703 0.003 1 0 "[ . 1 . ]" 1
820 4 16 MET HA 4 17 PHE H 0.000 . 3.300 3.571 3.543 3.582 0.282 7 0 "[ . 1 . ]" 1
821 4 16 MET QB 4 17 PHE H 0.000 . 3.300 2.391 2.139 2.578 . 0 0 "[ . 1 . ]" 1
822 4 16 MET QG 4 17 PHE H 0.000 . 5.000 4.109 3.609 4.331 . 0 0 "[ . 1 . ]" 1
823 4 16 MET ME 4 17 PHE H 0.000 . 3.300 3.776 3.477 4.027 0.727 13 8 "[ . **- *+** * ]" 1
824 4 17 PHE H 4 17 PHE HB3 0.000 . 3.300 3.580 3.548 3.607 0.307 18 0 "[ . 1 . ]" 1
825 4 17 PHE H 4 17 PHE HB2 0.000 . 3.300 2.324 2.239 2.439 . 0 0 "[ . 1 . ]" 1
826 4 17 PHE H 4 17 PHE QD 0.000 . 3.300 2.634 1.851 3.293 . 0 0 "[ . 1 . ]" 1
827 4 18 ARG H 4 19 GLU H 0.000 . 2.700 2.677 2.481 2.848 0.148 12 0 "[ . 1 . ]" 1
828 4 17 PHE HA 4 18 ARG H 0.000 . 3.300 3.514 3.478 3.565 0.265 12 0 "[ . 1 . ]" 1
829 4 15 GLU HA 4 18 ARG H 0.000 . 3.300 3.206 2.999 3.320 0.020 11 0 "[ . 1 . ]" 1
830 4 17 PHE HB3 4 18 ARG H 0.000 . 3.300 3.641 3.495 3.779 0.479 18 0 "[ . 1 . ]" 1
831 4 17 PHE HB2 4 18 ARG H 0.000 . 3.300 2.864 2.553 3.072 . 0 0 "[ . 1 . ]" 1
832 4 18 ARG HA 4 18 ARG QD 0.000 . 5.000 3.455 2.042 3.992 . 0 0 "[ . 1 . ]" 1
833 4 19 GLU H 4 21 ASN H 0.000 . 5.000 4.168 3.656 4.529 . 0 0 "[ . 1 . ]" 1
834 4 18 ARG HA 4 19 GLU H 0.000 . 3.300 3.528 3.488 3.561 0.261 18 0 "[ . 1 . ]" 1
835 4 15 GLU HA 4 19 GLU H 0.000 . 5.000 4.397 4.252 4.608 . 0 0 "[ . 1 . ]" 1
836 4 18 ARG QB 4 19 GLU H 0.000 . 3.300 2.792 2.570 2.916 . 0 0 "[ . 1 . ]" 1
837 4 18 ARG QG 4 19 GLU H 0.000 . 3.300 4.435 4.081 4.588 1.288 15 19 [****-*********+****] 1
838 4 19 GLU H 4 19 GLU QB 0.000 . 2.700 2.282 2.245 2.304 . 0 0 "[ . 1 . ]" 1
839 4 19 GLU QB 4 20 LEU QD 0.000 . 3.300 2.592 2.305 2.974 . 0 0 "[ . 1 . ]" 1
840 4 19 GLU H 4 20 LEU H 0.000 . 3.300 2.660 2.491 2.836 . 0 0 "[ . 1 . ]" 1
841 4 20 LEU H 4 21 ASN H 0.000 . 3.300 2.891 2.577 3.137 . 0 0 "[ . 1 . ]" 1
842 4 19 GLU HA 4 20 LEU H 0.000 . 3.300 3.583 3.553 3.603 0.303 15 0 "[ . 1 . ]" 1
843 4 19 GLU QB 4 20 LEU H 0.000 . 3.300 2.305 2.050 2.602 . 0 0 "[ . 1 . ]" 1
844 4 20 LEU H 4 20 LEU QD 0.000 . 3.300 1.962 1.819 2.406 . 0 0 "[ . 1 . ]" 1
845 4 20 LEU HA 4 20 LEU QD 0.000 . 2.700 1.763 1.734 1.801 . 0 0 "[ . 1 . ]" 1
846 4 17 PHE QD 4 20 LEU QD 0.000 . 3.300 3.252 2.726 4.088 0.788 6 3 "[ *.+ 1 . - ]" 1
847 4 20 LEU QD 4 22 GLU H 0.000 . 3.300 4.603 4.472 4.719 1.419 5 19 [****+******-*******] 1
848 4 16 MET QB 4 20 LEU QD 0.000 . 2.700 3.205 2.903 3.590 0.890 15 9 "[ - .* **1** *+ * ]" 1
849 4 16 MET ME 4 20 LEU H 0.000 . 3.300 6.242 5.874 6.484 3.184 7 19 [******+*******-****] 1
850 4 18 ARG HA 4 21 ASN H 0.000 . 5.000 3.947 3.408 4.489 . 0 0 "[ . 1 . ]" 1
851 4 20 LEU QD 4 21 ASN H 0.000 . 5.000 3.650 3.477 3.852 . 0 0 "[ . 1 . ]" 1
852 4 21 ASN H 4 21 ASN HB3 0.000 . 3.300 2.893 2.244 3.456 0.156 1 0 "[ . 1 . ]" 1
853 4 21 ASN H 4 21 ASN HB2 0.000 . 3.300 2.704 2.076 3.618 0.318 12 0 "[ . 1 . ]" 1
854 4 21 ASN H 4 21 ASN QD 0.000 . 5.000 3.827 2.747 4.660 . 0 0 "[ . 1 . ]" 1
855 4 22 GLU H 4 23 ALA H 0.000 . 2.700 2.656 2.520 2.868 0.168 18 0 "[ . 1 . ]" 1
856 4 21 ASN QD 4 22 GLU H 0.000 . 5.000 4.712 3.486 5.452 0.452 6 0 "[ . 1 . ]" 1
857 4 21 ASN QB 4 22 GLU H 0.000 . 3.300 3.196 2.738 3.696 0.396 13 0 "[ . 1 . ]" 1
858 4 22 GLU H 4 23 ALA MB 0.000 . 5.000 4.343 4.228 4.497 . 0 0 "[ . 1 . ]" 1
859 4 22 GLU H 4 24 LEU QD 0.000 . 5.000 4.744 4.364 5.131 0.131 1 0 "[ . 1 . ]" 1
860 4 22 GLU QG 4 23 ALA H 0.000 . 5.000 3.925 3.170 4.392 . 0 0 "[ . 1 . ]" 1
861 4 22 GLU QB 4 23 ALA H 0.000 . 3.300 2.511 2.356 2.682 . 0 0 "[ . 1 . ]" 1
862 4 23 ALA H 4 23 ALA MB 0.000 . 2.700 2.221 2.063 2.266 . 0 0 "[ . 1 . ]" 1
863 4 23 ALA HA 4 24 LEU QD 0.000 . 3.300 5.308 5.237 5.379 2.079 13 19 [*****-******+******] 1
864 4 23 ALA HA 4 26 LEU QB 0.000 . 3.300 2.214 2.055 2.419 . 0 0 "[ . 1 . ]" 1
865 4 23 ALA HA 4 26 LEU HG 0.000 . 3.300 3.369 3.220 3.498 0.198 12 0 "[ . 1 . ]" 1
866 4 23 ALA MB 4 26 LEU QB 0.000 . 3.300 3.761 3.612 3.945 0.645 18 6 "[ *. 1 -** +*]" 1
867 4 23 ALA MB 4 27 LYS H 0.000 . 5.000 4.706 4.625 4.844 . 0 0 "[ . 1 . ]" 1
868 4 20 LEU QD 4 24 LEU QD 0.000 . 5.000 3.636 3.157 4.217 . 0 0 "[ . 1 . ]" 1
869 4 24 LEU QD 4 27 LYS H 0.000 . 5.000 4.731 4.547 4.930 . 0 0 "[ . 1 . ]" 1
870 4 23 ALA H 4 24 LEU QD 0.000 . 5.000 4.599 4.330 4.844 . 0 0 "[ . 1 . ]" 1
871 4 24 LEU HA 4 24 LEU QD 0.000 . 3.300 2.024 1.841 2.275 . 0 0 "[ . 1 . ]" 1
872 4 24 LEU HA 4 26 LEU HG 0.000 . 5.000 4.627 4.412 4.900 . 0 0 "[ . 1 . ]" 1
873 4 24 LEU H 4 24 LEU MD1 0.000 . 3.300 3.369 3.247 3.618 0.318 11 0 "[ . 1 . ]" 1
874 4 24 LEU H 4 24 LEU MD2 0.000 . 3.300 3.385 3.272 3.523 0.223 13 0 "[ . 1 . ]" 1
875 4 22 GLU H 4 24 LEU H 0.000 . 5.000 4.115 3.888 4.300 . 0 0 "[ . 1 . ]" 1
876 4 24 LEU H 4 25 GLU H 0.000 . 3.300 2.870 2.737 2.981 . 0 0 "[ . 1 . ]" 1
877 4 23 ALA MB 4 24 LEU H 0.000 . 3.300 2.436 2.309 2.736 . 0 0 "[ . 1 . ]" 1
878 4 24 LEU H 4 24 LEU QD 0.000 . 2.700 3.006 2.926 3.145 0.445 11 0 "[ . 1 . ]" 1
879 4 23 ALA MB 4 24 LEU HG 0.000 . 3.300 3.219 3.007 3.578 0.278 13 0 "[ . 1 . ]" 1
880 4 24 LEU HA 4 25 GLU H 0.000 . 3.300 3.577 3.560 3.590 0.290 15 0 "[ . 1 . ]" 1
881 4 24 LEU QD 4 25 GLU H 0.000 . 5.000 3.893 3.765 4.018 . 0 0 "[ . 1 . ]" 1
882 4 25 GLU H 4 25 GLU QG 0.000 . 3.300 3.496 2.656 3.989 0.689 7 10 "[ * -*+**1* **. *]" 1
883 4 25 GLU HG3 4 26 LEU H 0.000 . 5.000 4.843 4.580 5.183 0.183 17 0 "[ . 1 . ]" 1
884 4 25 GLU HG2 4 26 LEU H 0.000 . 5.000 4.531 3.843 5.071 0.071 4 0 "[ . 1 . ]" 1
885 4 25 GLU H 4 26 LEU H 0.000 . 3.300 2.634 2.530 2.677 . 0 0 "[ . 1 . ]" 1
886 4 26 LEU H 4 27 LYS H 0.000 . 3.300 2.549 2.457 2.637 . 0 0 "[ . 1 . ]" 1
887 4 23 ALA HA 4 26 LEU H 0.000 . 3.300 3.236 3.135 3.371 0.071 15 0 "[ . 1 . ]" 1
888 4 25 GLU QG 4 26 LEU H 0.000 . 5.000 4.135 3.671 4.511 . 0 0 "[ . 1 . ]" 1
889 4 25 GLU QB 4 26 LEU H 0.000 . 3.300 2.787 2.643 2.964 . 0 0 "[ . 1 . ]" 1
890 4 23 ALA MB 4 26 LEU H 0.000 . 3.300 4.336 4.272 4.448 1.148 16 19 [*****-*********+***] 1
891 4 26 LEU H 4 26 LEU QD 0.000 . 3.300 3.481 3.311 3.564 0.264 7 0 "[ . 1 . ]" 1
892 4 26 LEU H 4 26 LEU HG 0.000 . 3.300 3.317 3.203 3.488 0.188 7 0 "[ . 1 . ]" 1
893 4 26 LEU HA 4 29 ALA MB 0.000 . 3.300 2.539 2.170 2.913 . 0 0 "[ . 1 . ]" 1
894 4 26 LEU HA 4 26 LEU HG 0.000 . 3.300 3.622 3.558 3.669 0.369 15 0 "[ . 1 . ]" 1
895 4 26 LEU HA 4 26 LEU QD 0.000 . 3.300 2.854 2.640 3.110 . 0 0 "[ . 1 . ]" 1
896 4 26 LEU QB 4 29 ALA MB 0.000 . 5.000 3.882 3.511 4.188 . 0 0 "[ . 1 . ]" 1
897 4 26 LEU QB 4 27 LYS H 0.000 . 3.300 3.332 3.235 3.430 0.130 18 0 "[ . 1 . ]" 1
898 4 26 LEU HG 4 30 GLN QG 0.000 . 3.300 3.832 3.645 4.008 0.708 18 13 "[***** ** 1 -**** + ]" 1
899 4 26 LEU QD 4 29 ALA MB 0.000 . 3.300 3.492 3.169 3.812 0.512 19 1 "[ . 1 . +]" 1
900 4 27 LYS H 4 28 ASP H 0.000 . 3.300 2.666 2.591 2.740 . 0 0 "[ . 1 . ]" 1
901 4 26 LEU HA 4 27 LYS H 0.000 . 3.300 3.502 3.462 3.546 0.246 17 0 "[ . 1 . ]" 1
902 4 26 LEU HG 4 27 LYS H 0.000 . 3.300 2.381 2.139 2.669 . 0 0 "[ . 1 . ]" 1
903 4 24 LEU HA 4 27 LYS H 0.000 . 3.300 3.327 3.215 3.410 0.110 10 0 "[ . 1 . ]" 1
904 4 27 LYS H 4 28 ASP QB 0.000 . 5.000 4.421 4.293 4.759 . 0 0 "[ . 1 . ]" 1
905 4 26 LEU QD 4 27 LYS H 0.000 . 5.000 3.259 3.110 3.431 . 0 0 "[ . 1 . ]" 1
906 4 27 LYS QB 4 28 ASP H 0.000 . 3.300 2.509 2.388 2.595 . 0 0 "[ . 1 . ]" 1
907 4 28 ASP H 4 29 ALA H 0.000 . 2.700 2.571 2.399 2.708 0.008 11 0 "[ . 1 . ]" 1
908 4 25 GLU HA 4 28 ASP H 0.000 . 3.300 3.325 3.204 3.514 0.214 18 0 "[ . 1 . ]" 1
909 4 27 LYS HA 4 28 ASP H 0.000 . 3.300 3.551 3.536 3.566 0.266 5 0 "[ . 1 . ]" 1
910 4 28 ASP H 4 28 ASP HB3 0.000 . 2.700 3.019 2.505 3.615 0.915 3 5 "[* + . 1 *- * ]" 1
911 4 28 ASP H 4 28 ASP HB2 0.000 . 2.700 2.257 2.082 2.680 . 0 0 "[ . 1 . ]" 1
912 4 28 ASP H 4 29 ALA MB 0.000 . 5.000 4.294 4.113 4.470 . 0 0 "[ . 1 . ]" 1
913 4 28 ASP HA 4 31 ALA MB 0.000 . 3.300 6.427 4.757 8.328 5.028 7 19 [*-****+************] 1
914 4 29 ALA H 4 30 GLN H 0.000 . 3.300 2.643 2.240 3.283 . 0 0 "[ . 1 . ]" 1
915 4 28 ASP HA 4 29 ALA H 0.000 . 3.300 3.500 3.413 3.560 0.260 16 0 "[ . 1 . ]" 1
916 4 28 ASP HB3 4 29 ALA H 0.000 . 3.300 3.048 2.600 3.980 0.680 3 1 "[ + . 1 . ]" 1
917 4 28 ASP HB2 4 29 ALA H 0.000 . 3.300 3.600 3.044 4.089 0.789 4 6 "[ +.** * - . *]" 1
918 4 26 LEU QD 4 29 ALA H 0.000 . 5.000 4.089 3.843 4.532 . 0 0 "[ . 1 . ]" 1
919 4 29 ALA H 4 29 ALA MB 0.000 . 2.700 2.263 2.122 2.349 . 0 0 "[ . 1 . ]" 1
920 4 29 ALA MB 4 30 GLN QG 0.000 . 3.300 4.267 3.923 4.465 1.165 14 19 [**********-**+*****] 1
921 4 29 ALA MB 4 31 ALA HA 0.000 . 3.300 6.520 5.378 7.251 3.951 8 19 [*******+**-********] 1
922 4 27 LYS HA 4 30 GLN H 0.000 . 5.000 3.713 3.148 4.658 . 0 0 "[ . 1 . ]" 1
923 4 29 ALA HA 4 30 GLN H 0.000 . 2.700 3.224 2.701 3.498 0.798 11 12 "[ ***.* *-+** .** *]" 1
924 4 26 LEU QD 4 30 GLN H 0.000 . 5.000 3.895 3.156 4.748 . 0 0 "[ . 1 . ]" 1
925 4 30 GLN H 4 30 GLN QB 0.000 . 3.300 2.291 2.083 3.065 . 0 0 "[ . 1 . ]" 1
926 4 30 GLN H 4 30 GLN QG 0.000 . 3.300 3.144 2.443 3.922 0.622 18 2 "[ . - 1 . + ]" 1
927 4 31 ALA H 4 31 ALA MB 0.000 . 3.300 2.609 2.073 2.944 . 0 0 "[ . 1 . ]" 1
928 4 6 LEU HG 4 8 ILE MD 0.000 . 5.000 4.333 3.722 5.026 0.026 10 0 "[ . 1 . ]" 1
929 4 5 THR HB 4 7 GLN HA 0.000 . 5.000 5.508 5.359 5.688 0.688 17 10 "[** * * ** * * +- ]" 1
930 4 6 LEU QD 4 8 ILE MG 0.000 . 3.300 4.265 3.891 4.547 1.247 4 19 [***+*******-*******] 1
931 4 6 LEU HA 4 8 ILE MG 0.000 . 5.000 6.820 6.678 6.986 1.986 15 19 [*************-+****] 1
932 4 6 LEU QD 4 21 ASN QB 0.000 . 5.000 5.202 4.423 5.774 0.774 18 6 "[- .* * 1* .* + ]" 1
933 4 6 LEU QD 4 18 ARG H 0.000 . 5.000 6.534 6.200 6.875 1.875 10 19 [*********+*******-*] 1
934 4 6 LEU QD 4 21 ASN H 0.000 . 5.000 6.556 6.053 6.946 1.946 6 19 [****-+*************] 1
935 4 8 ILE MD 4 21 ASN QD 0.000 . 5.000 5.344 4.943 5.628 0.628 13 5 "[ * . *1 *+-. ]" 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 26
_Distance_constraint_stats_list.Viol_count 129
_Distance_constraint_stats_list.Viol_total 152.751
_Distance_constraint_stats_list.Viol_max 0.191
_Distance_constraint_stats_list.Viol_rms 0.0367
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0163
_Distance_constraint_stats_list.Viol_average_violations_only 0.0623
_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 13 ARG 0.145 0.051 14 0 "[ . 1 . ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 15 GLU 0.079 0.053 2 0 "[ . 1 . ]"
1 16 MET 0.763 0.098 12 0 "[ . 1 . ]"
1 17 PHE 0.145 0.051 14 0 "[ . 1 . ]"
1 18 ARG 0.868 0.111 14 0 "[ . 1 . ]"
1 19 GLU 0.134 0.053 2 0 "[ . 1 . ]"
1 20 LEU 1.420 0.098 12 0 "[ . 1 . ]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 22 GLU 1.019 0.111 14 0 "[ . 1 . ]"
1 23 ALA 0.055 0.033 12 0 "[ . 1 . ]"
1 24 LEU 4.445 0.191 4 0 "[ . 1 . ]"
1 25 GLU 1.534 0.154 11 0 "[ . 1 . ]"
1 26 LEU 0.150 0.046 7 0 "[ . 1 . ]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 28 ASP 3.788 0.191 4 0 "[ . 1 . ]"
1 29 ALA 1.534 0.154 11 0 "[ . 1 . ]"
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 13 ARG O 1 17 PHE H 0.000 . 2.300 2.251 2.116 2.351 0.051 14 0 "[ . 1 . ]" 2
2 1 13 ARG O 1 17 PHE N 0.000 . 3.300 3.205 3.070 3.297 . 0 0 "[ . 1 . ]" 2
3 1 14 PHE O 1 18 ARG H 0.000 . 2.300 2.120 2.084 2.236 . 0 0 "[ . 1 . ]" 2
4 1 14 PHE O 1 18 ARG N 0.000 . 3.300 2.968 2.871 3.101 . 0 0 "[ . 1 . ]" 2
5 1 15 GLU O 1 19 GLU H 0.000 . 2.300 2.223 2.097 2.353 0.053 2 0 "[ . 1 . ]" 2
6 1 15 GLU O 1 19 GLU N 0.000 . 3.300 3.065 2.925 3.208 . 0 0 "[ . 1 . ]" 2
7 1 16 MET O 1 20 LEU H 0.000 . 2.300 2.300 2.105 2.398 0.098 12 0 "[ . 1 . ]" 2
8 1 16 MET O 1 20 LEU N 0.000 . 3.300 3.256 3.042 3.342 0.042 15 0 "[ . 1 . ]" 2
9 1 17 PHE O 1 21 ASN H 0.000 . 2.300 2.036 1.991 2.083 . 0 0 "[ . 1 . ]" 2
10 1 17 PHE O 1 21 ASN N 0.000 . 3.300 2.914 2.715 3.033 . 0 0 "[ . 1 . ]" 2
11 1 18 ARG O 1 22 GLU H 0.000 . 2.300 2.312 2.091 2.411 0.111 14 0 "[ . 1 . ]" 2
12 1 18 ARG O 1 22 GLU N 0.000 . 3.300 2.976 2.755 3.080 . 0 0 "[ . 1 . ]" 2
13 1 19 GLU O 1 23 ALA H 0.000 . 2.300 2.178 2.091 2.333 0.033 12 0 "[ . 1 . ]" 2
14 1 19 GLU O 1 23 ALA N 0.000 . 3.300 3.102 3.017 3.258 . 0 0 "[ . 1 . ]" 2
15 1 20 LEU O 1 24 LEU H 0.000 . 2.300 2.252 2.074 2.383 0.083 6 0 "[ . 1 . ]" 2
16 1 20 LEU O 1 24 LEU N 0.000 . 3.300 3.217 3.041 3.351 0.051 6 0 "[ . 1 . ]" 2
17 1 21 ASN O 1 25 GLU H 0.000 . 2.300 2.106 2.056 2.191 . 0 0 "[ . 1 . ]" 2
18 1 21 ASN O 1 25 GLU N 0.000 . 3.300 3.050 2.958 3.153 . 0 0 "[ . 1 . ]" 2
19 1 22 GLU O 1 26 LEU H 0.000 . 2.300 2.253 2.111 2.346 0.046 7 0 "[ . 1 . ]" 2
20 1 22 GLU O 1 26 LEU N 0.000 . 3.300 3.013 2.793 3.155 . 0 0 "[ . 1 . ]" 2
21 1 23 ALA O 1 27 LYS H 0.000 . 2.300 2.103 2.063 2.205 . 0 0 "[ . 1 . ]" 2
22 1 23 ALA O 1 27 LYS N 0.000 . 3.300 2.885 2.796 2.946 . 0 0 "[ . 1 . ]" 2
23 1 24 LEU O 1 28 ASP H 0.000 . 2.300 2.449 2.378 2.491 0.191 4 0 "[ . 1 . ]" 2
24 1 24 LEU O 1 28 ASP N 0.000 . 3.300 3.349 3.274 3.387 0.087 8 0 "[ . 1 . ]" 2
25 1 25 GLU O 1 29 ALA H 0.000 . 2.300 2.377 2.343 2.454 0.154 11 0 "[ . 1 . ]" 2
26 1 25 GLU O 1 29 ALA N 0.000 . 3.300 3.214 3.029 3.347 0.047 11 0 "[ . 1 . ]" 2
stop_
save_
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