NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
468451 |
2a36   |
5925 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2a36
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 846
_Distance_constraint_stats_list.Viol_count 276
_Distance_constraint_stats_list.Viol_total 263.738
_Distance_constraint_stats_list.Viol_max 0.372
_Distance_constraint_stats_list.Viol_rms 0.0234
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0956
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 1.046 0.262 5 0 "[ . 1]"
1 2 GLU 1.278 0.262 5 0 "[ . 1]"
1 3 ALA 4.359 0.372 6 0 "[ . 1]"
1 4 ILE 0.228 0.090 6 0 "[ . 1]"
1 5 ALA 1.080 0.161 10 0 "[ . 1]"
1 6 LYS 1.326 0.141 5 0 "[ . 1]"
1 7 HIS 1.787 0.218 5 0 "[ . 1]"
1 8 ASP 0.827 0.093 9 0 "[ . 1]"
1 9 PHE 0.748 0.140 6 0 "[ . 1]"
1 10 SER 0.000 0.000 . 0 "[ . 1]"
1 11 ALA 1.863 0.178 9 0 "[ . 1]"
1 12 THR 2.769 0.315 7 0 "[ . 1]"
1 13 ALA 0.000 0.000 . 0 "[ . 1]"
1 14 ASP 0.000 0.000 . 0 "[ . 1]"
1 15 ASP 0.000 0.000 . 0 "[ . 1]"
1 16 GLU 1.566 0.178 9 0 "[ . 1]"
1 17 LEU 0.327 0.070 6 0 "[ . 1]"
1 18 SER 0.000 0.000 . 0 "[ . 1]"
1 19 PHE 0.614 0.093 4 0 "[ . 1]"
1 20 ARG 0.011 0.011 1 0 "[ . 1]"
1 21 LYS 0.900 0.093 9 0 "[ . 1]"
1 22 THR 0.820 0.141 5 0 "[ . 1]"
1 23 GLN 0.568 0.093 4 0 "[ . 1]"
1 24 ILE 0.114 0.091 3 0 "[ . 1]"
1 25 LEU 0.038 0.023 2 0 "[ . 1]"
1 26 LYS 0.279 0.079 7 0 "[ . 1]"
1 27 ILE 0.220 0.131 6 0 "[ . 1]"
1 28 LEU 0.047 0.025 3 0 "[ . 1]"
1 29 ASN 2.856 0.238 2 0 "[ . 1]"
1 30 MET 1.466 0.351 7 0 "[ . 1]"
1 31 GLU 2.452 0.238 2 0 "[ . 1]"
1 32 ASP 2.393 0.310 10 0 "[ . 1]"
1 33 ASP 1.213 0.351 7 0 "[ . 1]"
1 34 SER 0.064 0.064 7 0 "[ . 1]"
1 35 ASN 2.594 0.310 10 0 "[ . 1]"
1 36 TRP 1.420 0.140 6 0 "[ . 1]"
1 37 TYR 0.213 0.131 6 0 "[ . 1]"
1 38 ARG 0.133 0.054 7 0 "[ . 1]"
1 39 ALA 0.156 0.054 7 0 "[ . 1]"
1 40 GLU 0.006 0.006 9 0 "[ . 1]"
1 41 LEU 0.401 0.077 3 0 "[ . 1]"
1 42 ASP 0.000 0.000 . 0 "[ . 1]"
1 43 GLY 0.020 0.020 9 0 "[ . 1]"
1 44 LYS 0.000 0.000 . 0 "[ . 1]"
1 45 GLU 1.054 0.149 2 0 "[ . 1]"
1 46 GLY 0.000 0.000 . 0 "[ . 1]"
1 47 LEU 0.089 0.047 3 0 "[ . 1]"
1 48 ILE 0.076 0.040 4 0 "[ . 1]"
1 49 PRO 3.299 0.315 7 0 "[ . 1]"
1 50 SER 0.000 0.000 . 0 "[ . 1]"
1 51 ASN 0.000 0.000 . 0 "[ . 1]"
1 52 TYR 0.268 0.101 2 0 "[ . 1]"
1 53 ILE 2.575 0.218 5 0 "[ . 1]"
1 54 GLU 0.001 0.001 5 0 "[ . 1]"
1 55 MET 0.109 0.046 10 0 "[ . 1]"
1 56 LYS 3.112 0.343 2 0 "[ . 1]"
1 57 ASN 2.549 0.372 6 0 "[ . 1]"
1 58 HIS 1.172 0.343 2 0 "[ . 1]"
1 59 ASP 0.000 0.000 . 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 1 MET HA 1 1 MET QG 3.400 . 5.200 2.491 2.016 3.349 . 0 0 "[ . 1]" 1
2 1 1 MET HA 1 2 GLU H 2.500 . 3.200 2.726 2.131 3.462 0.262 5 0 "[ . 1]" 1
3 1 1 MET QB 1 27 ILE MG 5.000 . 9.000 4.399 1.754 6.257 0.046 1 0 "[ . 1]" 1
4 1 1 MET ME 1 2 GLU H 5.000 . 8.000 5.242 4.049 6.451 . 0 0 "[ . 1]" 1
5 1 1 MET QG 1 2 GLU H 3.400 . 5.200 3.570 2.000 4.458 . 0 0 "[ . 1]" 1
6 1 1 MET QG 1 27 ILE MG 3.400 . 6.700 4.834 3.323 6.656 . 0 0 "[ . 1]" 1
7 1 2 GLU HA 1 3 ALA H 3.400 . 4.200 2.203 2.098 2.393 . 0 0 "[ . 1]" 1
8 1 2 GLU HA 1 24 ILE MG 4.000 . 7.000 5.513 3.647 6.622 . 0 0 "[ . 1]" 1
9 1 2 GLU HA 1 25 LEU H 5.000 . 6.500 5.414 5.138 6.082 . 0 0 "[ . 1]" 1
10 1 2 GLU HA 1 26 LYS HA 2.500 . 3.200 3.219 3.133 3.279 0.079 7 0 "[ . 1]" 1
11 1 2 GLU HA 1 26 LYS QD 3.400 . 5.200 4.551 3.759 5.060 . 0 0 "[ . 1]" 1
12 1 2 GLU HA 1 26 LYS H 5.000 . 6.500 5.656 5.523 5.901 . 0 0 "[ . 1]" 1
13 1 2 GLU HA 1 27 ILE HA 5.000 . 6.500 5.807 4.957 6.267 . 0 0 "[ . 1]" 1
14 1 2 GLU HA 1 27 ILE MD 4.000 . 7.000 4.882 3.131 6.215 . 0 0 "[ . 1]" 1
15 1 2 GLU HA 1 27 ILE H 3.400 . 4.200 3.013 2.308 3.388 . 0 0 "[ . 1]" 1
16 1 2 GLU QB 1 3 ALA H 3.400 . 5.200 2.901 2.473 3.521 . 0 0 "[ . 1]" 1
17 1 2 GLU H 1 2 GLU QG 3.400 . 5.200 2.994 2.010 4.109 . 0 0 "[ . 1]" 1
18 1 2 GLU QG 1 3 ALA H 4.000 . 6.500 3.680 1.980 4.541 . 0 0 "[ . 1]" 1
19 1 3 ALA HA 1 4 ILE H 3.400 . 4.200 2.272 2.249 2.307 . 0 0 "[ . 1]" 1
20 1 3 ALA HA 1 25 LEU H 5.000 . 6.500 5.122 4.884 5.583 . 0 0 "[ . 1]" 1
21 1 3 ALA HA 1 53 ILE MD 4.000 . 7.000 4.781 3.523 5.736 . 0 0 "[ . 1]" 1
22 1 3 ALA HA 1 54 GLU H 4.000 . 5.500 5.165 4.778 5.365 . 0 0 "[ . 1]" 1
23 1 3 ALA HA 1 55 MET HA 3.400 . 4.200 2.675 2.072 3.213 . 0 0 "[ . 1]" 1
24 1 3 ALA HA 1 55 MET H 4.000 . 5.500 5.142 4.796 5.546 0.046 10 0 "[ . 1]" 1
25 1 3 ALA HA 1 56 LYS HA 4.000 . 5.500 3.951 3.425 4.584 . 0 0 "[ . 1]" 1
26 1 3 ALA HA 1 56 LYS QB 5.000 . 7.500 2.707 1.713 5.399 0.087 9 0 "[ . 1]" 1
27 1 3 ALA HA 1 56 LYS H 3.400 . 4.200 1.740 1.573 2.272 0.227 5 0 "[ . 1]" 1
28 1 3 ALA MB 1 4 ILE H 3.400 . 5.700 2.877 2.759 2.997 . 0 0 "[ . 1]" 1
29 1 3 ALA MB 1 27 ILE HA 5.000 . 8.000 4.315 3.853 4.718 . 0 0 "[ . 1]" 1
30 1 3 ALA MB 1 53 ILE MD 2.500 . 6.200 2.600 1.816 3.499 . 0 0 "[ . 1]" 1
31 1 3 ALA MB 1 53 ILE QG 2.500 . 5.700 2.690 2.076 4.476 . 0 0 "[ . 1]" 1
32 1 3 ALA MB 1 54 GLU H 3.400 . 5.700 3.901 3.387 4.280 . 0 0 "[ . 1]" 1
33 1 3 ALA MB 1 55 MET HA 2.500 . 4.700 2.351 2.110 2.671 . 0 0 "[ . 1]" 1
34 1 3 ALA MB 1 55 MET QG 4.000 . 8.000 3.782 2.901 4.894 . 0 0 "[ . 1]" 1
35 1 3 ALA MB 1 55 MET H 4.000 . 7.000 4.131 3.722 4.396 . 0 0 "[ . 1]" 1
36 1 3 ALA H 1 24 ILE MG 3.400 . 5.700 4.736 2.554 5.791 0.091 3 0 "[ . 1]" 1
37 1 3 ALA H 1 25 LEU MD1 5.000 . 8.000 5.461 4.200 6.052 . 0 0 "[ . 1]" 1
38 1 3 ALA H 1 25 LEU H 3.400 . 4.200 3.631 3.408 4.167 . 0 0 "[ . 1]" 1
39 1 3 ALA H 1 26 LYS QD 5.000 . 7.500 5.674 5.092 6.236 . 0 0 "[ . 1]" 1
40 1 3 ALA H 1 27 ILE H 4.000 . 5.500 3.569 2.813 4.123 . 0 0 "[ . 1]" 1
41 1 3 ALA H 1 53 ILE MD 4.000 . 7.000 5.611 4.352 6.787 . 0 0 "[ . 1]" 1
42 1 3 ALA H 1 56 LYS HA 5.000 . 6.500 6.269 5.802 6.606 0.106 1 0 "[ . 1]" 1
43 1 3 ALA H 1 57 ASN H 4.000 . 5.500 5.472 4.142 5.872 0.372 6 0 "[ . 1]" 1
44 1 4 ILE HA 1 4 ILE MD 3.400 . 5.700 3.150 2.063 3.700 . 0 0 "[ . 1]" 1
45 1 4 ILE HA 1 4 ILE MG 3.400 . 5.700 3.193 3.098 3.214 . 0 0 "[ . 1]" 1
46 1 4 ILE HA 1 5 ALA H 2.500 . 3.200 2.381 2.348 2.427 . 0 0 "[ . 1]" 1
47 1 4 ILE HB 1 4 ILE MD 2.500 . 4.700 2.488 1.990 3.223 . 0 0 "[ . 1]" 1
48 1 4 ILE H 1 4 ILE HB 3.400 . 4.200 2.845 2.440 2.937 . 0 0 "[ . 1]" 1
49 1 4 ILE HB 1 5 ALA H 4.000 . 5.500 3.976 3.854 4.108 . 0 0 "[ . 1]" 1
50 1 4 ILE H 1 4 ILE MD 4.000 . 7.000 4.414 3.987 4.572 . 0 0 "[ . 1]" 1
51 1 4 ILE MD 1 22 THR HA 4.000 . 7.000 2.772 1.926 3.359 . 0 0 "[ . 1]" 1
52 1 4 ILE MD 1 22 THR H 3.400 . 5.700 4.213 3.185 5.177 . 0 0 "[ . 1]" 1
53 1 4 ILE MD 1 54 GLU QB 4.000 . 8.000 5.778 4.110 7.180 . 0 0 "[ . 1]" 1
54 1 4 ILE MD 1 54 GLU QG 4.000 . 8.000 6.760 5.502 7.909 . 0 0 "[ . 1]" 1
55 1 4 ILE MD 1 56 LYS QE 2.500 . 5.700 4.470 2.786 5.509 . 0 0 "[ . 1]" 1
56 1 4 ILE H 1 4 ILE QG 4.000 . 6.500 4.059 3.897 4.158 . 0 0 "[ . 1]" 1
57 1 4 ILE QG 1 5 ALA H 3.400 . 5.200 2.073 1.741 3.285 0.059 3 0 "[ . 1]" 1
58 1 4 ILE QG 1 22 THR HA 5.000 . 7.500 3.123 2.677 3.898 . 0 0 "[ . 1]" 1
59 1 4 ILE QG 1 53 ILE HA 4.000 . 6.500 5.287 4.763 6.590 0.090 6 0 "[ . 1]" 1
60 1 4 ILE H 1 4 ILE MG 3.400 . 5.700 2.188 1.874 2.996 . 0 0 "[ . 1]" 1
61 1 4 ILE MG 1 5 ALA H 3.400 . 5.700 3.427 2.730 3.670 . 0 0 "[ . 1]" 1
62 1 4 ILE MG 1 6 LYS H 5.000 . 8.000 3.913 3.433 4.232 . 0 0 "[ . 1]" 1
63 1 4 ILE MG 1 21 LYS HA 5.000 . 8.000 7.220 6.176 7.554 . 0 0 "[ . 1]" 1
64 1 4 ILE MG 1 22 THR HA 3.400 . 5.700 4.768 3.606 5.180 . 0 0 "[ . 1]" 1
65 1 4 ILE MG 1 54 GLU H 3.400 . 5.700 2.991 2.647 3.454 . 0 0 "[ . 1]" 1
66 1 4 ILE MG 1 55 MET HA 5.000 . 8.000 4.711 3.783 5.807 . 0 0 "[ . 1]" 1
67 1 4 ILE MG 1 56 LYS HA 4.000 . 7.000 3.585 2.771 4.651 . 0 0 "[ . 1]" 1
68 1 4 ILE MG 1 56 LYS H 5.000 . 8.000 4.102 3.082 5.170 . 0 0 "[ . 1]" 1
69 1 4 ILE H 1 25 LEU MD1 5.000 . 8.000 5.550 3.784 7.031 . 0 0 "[ . 1]" 1
70 1 4 ILE H 1 53 ILE MD 5.000 . 8.000 4.520 2.880 5.412 . 0 0 "[ . 1]" 1
71 1 4 ILE H 1 53 ILE MG 4.000 . 7.000 5.772 5.530 5.957 . 0 0 "[ . 1]" 1
72 1 4 ILE H 1 54 GLU QB 4.000 . 6.500 4.452 4.108 4.907 . 0 0 "[ . 1]" 1
73 1 4 ILE H 1 54 GLU QG 5.000 . 7.500 5.529 3.300 6.199 . 0 0 "[ . 1]" 1
74 1 4 ILE H 1 54 GLU H 3.400 . 4.200 3.537 3.229 3.734 . 0 0 "[ . 1]" 1
75 1 4 ILE H 1 55 MET HA 4.000 . 5.500 3.671 2.950 4.086 . 0 0 "[ . 1]" 1
76 1 4 ILE H 1 56 LYS QG 3.400 . 5.200 3.823 2.885 5.279 0.079 3 0 "[ . 1]" 1
77 1 5 ALA HA 1 6 LYS H 2.500 . 3.200 2.291 2.211 2.326 . 0 0 "[ . 1]" 1
78 1 5 ALA HA 1 7 HIS H 4.000 . 5.500 4.868 4.762 4.990 . 0 0 "[ . 1]" 1
79 1 5 ALA HA 1 21 LYS HA 5.000 . 6.500 5.948 5.765 6.248 . 0 0 "[ . 1]" 1
80 1 5 ALA HA 1 25 LEU MD1 4.000 . 7.000 4.349 3.423 6.078 . 0 0 "[ . 1]" 1
81 1 5 ALA HA 1 25 LEU MD2 5.000 . 8.000 5.481 3.030 6.731 . 0 0 "[ . 1]" 1
82 1 5 ALA HA 1 52 TYR HA 5.000 . 6.500 5.227 5.100 5.388 . 0 0 "[ . 1]" 1
83 1 5 ALA HA 1 53 ILE HA 2.500 . 3.200 1.699 1.639 1.735 0.161 10 0 "[ . 1]" 1
84 1 5 ALA HA 1 53 ILE MD 5.000 . 8.000 4.233 3.405 4.643 . 0 0 "[ . 1]" 1
85 1 5 ALA HA 1 53 ILE MG 2.500 . 4.700 3.234 2.877 4.404 . 0 0 "[ . 1]" 1
86 1 5 ALA HA 1 53 ILE H 5.000 . 6.500 4.305 4.153 4.495 . 0 0 "[ . 1]" 1
87 1 5 ALA HA 1 54 GLU H 4.000 . 5.500 3.023 2.731 3.264 . 0 0 "[ . 1]" 1
88 1 5 ALA MB 1 6 LYS H 3.400 . 5.700 3.489 3.370 3.552 . 0 0 "[ . 1]" 1
89 1 5 ALA MB 1 7 HIS H 3.400 . 5.700 3.728 3.557 3.917 . 0 0 "[ . 1]" 1
90 1 5 ALA MB 1 19 PHE QB 4.000 . 8.000 4.135 3.848 4.530 . 0 0 "[ . 1]" 1
91 1 5 ALA MB 1 19 PHE QD 2.500 . 6.700 3.271 2.650 3.651 . 0 0 "[ . 1]" 1
92 1 5 ALA MB 1 19 PHE QE 3.400 . 7.700 2.399 1.905 2.960 . 0 0 "[ . 1]" 1
93 1 5 ALA MB 1 21 LYS HA 2.500 . 4.700 4.408 4.277 4.633 . 0 0 "[ . 1]" 1
94 1 5 ALA MB 1 21 LYS H 5.000 . 8.000 6.261 6.119 6.497 . 0 0 "[ . 1]" 1
95 1 5 ALA MB 1 22 THR HA 3.400 . 5.700 5.076 4.710 5.302 . 0 0 "[ . 1]" 1
96 1 5 ALA MB 1 22 THR H 3.400 . 5.700 4.176 3.981 4.376 . 0 0 "[ . 1]" 1
97 1 5 ALA MB 1 23 GLN HA 4.000 . 7.000 5.566 5.164 6.035 . 0 0 "[ . 1]" 1
98 1 5 ALA MB 1 23 GLN HB2 4.000 . 7.000 4.805 3.719 5.733 . 0 0 "[ . 1]" 1
99 1 5 ALA MB 1 23 GLN H 3.400 . 5.700 3.964 3.718 4.309 . 0 0 "[ . 1]" 1
100 1 5 ALA MB 1 24 ILE MG 4.000 . 8.500 5.820 4.980 6.305 . 0 0 "[ . 1]" 1
101 1 5 ALA MB 1 25 LEU MD1 5.000 . 9.500 2.184 1.792 3.446 0.008 1 0 "[ . 1]" 1
102 1 5 ALA MB 1 25 LEU HG 2.500 . 4.700 3.163 2.403 4.128 . 0 0 "[ . 1]" 1
103 1 5 ALA MB 1 53 ILE HA 4.000 . 7.000 2.767 1.857 3.119 . 0 0 "[ . 1]" 1
104 1 5 ALA H 1 21 LYS HA 5.000 . 6.500 5.710 5.462 6.013 . 0 0 "[ . 1]" 1
105 1 5 ALA H 1 22 THR HA 4.000 . 5.500 3.965 3.540 4.360 . 0 0 "[ . 1]" 1
106 1 5 ALA H 1 23 GLN HB2 5.000 . 6.500 5.542 4.688 6.100 . 0 0 "[ . 1]" 1
107 1 5 ALA H 1 23 GLN H 4.000 . 5.500 4.010 3.786 4.236 . 0 0 "[ . 1]" 1
108 1 5 ALA H 1 25 LEU QB 4.000 . 6.500 5.273 4.486 5.690 . 0 0 "[ . 1]" 1
109 1 5 ALA H 1 25 LEU MD1 3.400 . 5.700 4.166 3.393 5.121 . 0 0 "[ . 1]" 1
110 1 5 ALA H 1 25 LEU MD2 4.000 . 7.000 4.683 2.578 6.026 . 0 0 "[ . 1]" 1
111 1 5 ALA H 1 25 LEU H 4.000 . 5.500 4.309 3.761 4.536 . 0 0 "[ . 1]" 1
112 1 5 ALA H 1 53 ILE HA 5.000 . 6.500 4.493 4.231 4.592 . 0 0 "[ . 1]" 1
113 1 6 LYS HA 1 6 LYS QG 3.400 . 5.200 2.896 2.115 3.465 . 0 0 "[ . 1]" 1
114 1 6 LYS HA 1 7 HIS H 3.400 . 4.200 2.166 2.104 2.199 . 0 0 "[ . 1]" 1
115 1 6 LYS HA 1 21 LYS HA 5.000 . 6.500 2.349 1.928 2.884 . 0 0 "[ . 1]" 1
116 1 6 LYS HA 1 21 LYS QE 4.000 . 6.500 5.091 3.764 6.547 0.047 1 0 "[ . 1]" 1
117 1 6 LYS HA 1 22 THR HA 5.000 . 6.500 3.452 2.932 3.680 . 0 0 "[ . 1]" 1
118 1 6 LYS HA 1 22 THR H 4.000 . 5.500 1.718 1.659 1.761 0.141 5 0 "[ . 1]" 1
119 1 6 LYS HA 1 53 ILE HA 5.000 . 6.500 5.437 5.250 5.607 . 0 0 "[ . 1]" 1
120 1 6 LYS QB 1 7 HIS HD2 4.000 . 6.500 6.245 5.801 6.519 0.019 3 0 "[ . 1]" 1
121 1 6 LYS QB 1 7 HIS H 3.400 . 5.200 3.799 3.630 3.972 . 0 0 "[ . 1]" 1
122 1 6 LYS QB 1 52 TYR HA 4.000 . 6.500 5.897 5.458 6.374 . 0 0 "[ . 1]" 1
123 1 6 LYS QD 1 7 HIS H 3.400 . 5.200 5.037 4.552 5.270 0.070 2 0 "[ . 1]" 1
124 1 6 LYS H 1 6 LYS QG 3.400 . 5.200 2.994 1.792 4.099 0.008 4 0 "[ . 1]" 1
125 1 6 LYS QG 1 7 HIS HD2 5.000 . 7.500 6.127 4.883 7.361 . 0 0 "[ . 1]" 1
126 1 6 LYS QG 1 7 HIS H 4.000 . 6.500 4.110 3.512 4.847 . 0 0 "[ . 1]" 1
127 1 6 LYS QG 1 52 TYR HA 4.000 . 6.500 5.845 4.835 6.601 0.101 2 0 "[ . 1]" 1
128 1 6 LYS H 1 7 HIS H 3.400 . 4.200 3.876 3.819 3.911 . 0 0 "[ . 1]" 1
129 1 6 LYS H 1 19 PHE QE 5.000 . 8.500 5.129 4.418 5.643 . 0 0 "[ . 1]" 1
130 1 6 LYS H 1 19 PHE HZ 5.000 . 6.500 6.112 5.622 6.461 . 0 0 "[ . 1]" 1
131 1 6 LYS H 1 21 LYS HA 5.000 . 6.500 5.065 4.781 5.418 . 0 0 "[ . 1]" 1
132 1 6 LYS H 1 25 LEU MD1 5.000 . 8.000 6.067 5.386 7.578 . 0 0 "[ . 1]" 1
133 1 6 LYS H 1 25 LEU MD2 5.000 . 8.000 6.996 4.826 8.004 0.004 2 0 "[ . 1]" 1
134 1 6 LYS H 1 52 TYR HA 5.000 . 6.500 4.779 4.654 4.870 . 0 0 "[ . 1]" 1
135 1 6 LYS H 1 52 TYR QB 5.000 . 7.500 4.808 4.688 5.021 . 0 0 "[ . 1]" 1
136 1 6 LYS H 1 53 ILE HA 3.400 . 4.200 2.859 2.550 3.474 . 0 0 "[ . 1]" 1
137 1 6 LYS H 1 53 ILE MD 5.000 . 8.000 5.853 5.257 6.298 . 0 0 "[ . 1]" 1
138 1 6 LYS H 1 53 ILE MG 3.400 . 5.700 4.707 4.388 5.775 0.075 2 0 "[ . 1]" 1
139 1 6 LYS H 1 53 ILE H 5.000 . 6.500 5.151 4.976 5.420 . 0 0 "[ . 1]" 1
140 1 6 LYS H 1 54 GLU H 4.000 . 5.500 4.345 4.007 4.689 . 0 0 "[ . 1]" 1
141 1 7 HIS HA 1 7 HIS HE1 4.000 . 5.500 4.307 4.237 4.382 . 0 0 "[ . 1]" 1
142 1 7 HIS HA 1 21 LYS HA 5.000 . 6.500 3.974 3.857 4.048 . 0 0 "[ . 1]" 1
143 1 7 HIS H 1 7 HIS QB 3.400 . 5.200 2.989 2.957 3.017 . 0 0 "[ . 1]" 1
144 1 7 HIS QB 1 8 ASP H 3.400 . 5.200 3.481 3.385 3.563 . 0 0 "[ . 1]" 1
145 1 7 HIS QB 1 52 TYR HA 4.000 . 6.500 2.117 1.818 2.405 . 0 0 "[ . 1]" 1
146 1 7 HIS QB 1 52 TYR QB 5.000 . 8.500 1.852 1.773 2.034 0.027 7 0 "[ . 1]" 1
147 1 7 HIS QB 1 52 TYR QD 4.000 . 8.500 2.038 1.810 2.344 . 0 0 "[ . 1]" 1
148 1 7 HIS QB 1 52 TYR QE 4.000 . 8.500 3.123 2.957 3.271 . 0 0 "[ . 1]" 1
149 1 7 HIS HD2 1 52 TYR HA 3.400 . 4.200 2.021 1.804 2.363 . 0 0 "[ . 1]" 1
150 1 7 HIS H 1 7 HIS HE1 5.000 . 6.500 6.496 6.425 6.567 0.067 8 0 "[ . 1]" 1
151 1 7 HIS H 1 19 PHE HZ 5.000 . 6.500 4.991 4.540 5.583 . 0 0 "[ . 1]" 1
152 1 7 HIS H 1 21 LYS HA 3.400 . 4.200 2.085 2.011 2.197 . 0 0 "[ . 1]" 1
153 1 7 HIS H 1 52 TYR QB 4.000 . 6.500 3.768 3.641 3.943 . 0 0 "[ . 1]" 1
154 1 7 HIS H 1 53 ILE HA 4.000 . 5.500 5.638 5.531 5.718 0.218 5 0 "[ . 1]" 1
155 1 8 ASP HA 1 9 PHE H 2.500 . 3.200 2.424 2.406 2.443 . 0 0 "[ . 1]" 1
156 1 8 ASP HA 1 19 PHE QD 5.000 . 8.500 3.941 3.553 4.778 . 0 0 "[ . 1]" 1
157 1 8 ASP HA 1 19 PHE QE 5.000 . 8.500 4.102 3.686 4.852 . 0 0 "[ . 1]" 1
158 1 8 ASP HA 1 20 ARG HA 2.500 . 3.200 2.656 2.487 2.827 . 0 0 "[ . 1]" 1
159 1 8 ASP HA 1 20 ARG H 5.000 . 6.500 5.025 4.873 5.083 . 0 0 "[ . 1]" 1
160 1 8 ASP HA 1 21 LYS HA 4.000 . 5.500 3.748 3.190 4.092 . 0 0 "[ . 1]" 1
161 1 8 ASP HA 1 21 LYS H 3.400 . 4.200 2.948 2.643 3.157 . 0 0 "[ . 1]" 1
162 1 8 ASP QB 1 9 PHE H 3.400 . 5.200 2.726 2.605 3.270 . 0 0 "[ . 1]" 1
163 1 8 ASP QB 1 20 ARG HA 4.000 . 6.500 3.585 3.237 4.213 . 0 0 "[ . 1]" 1
164 1 8 ASP QB 1 21 LYS H 4.000 . 6.500 3.504 2.734 4.148 . 0 0 "[ . 1]" 1
165 1 8 ASP H 1 20 ARG HA 4.000 . 5.500 5.258 5.096 5.464 . 0 0 "[ . 1]" 1
166 1 8 ASP H 1 21 LYS HA 5.000 . 6.500 4.258 3.907 4.474 . 0 0 "[ . 1]" 1
167 1 8 ASP H 1 21 LYS HB2 3.400 . 4.200 3.754 3.107 4.269 0.069 1 0 "[ . 1]" 1
168 1 8 ASP H 1 21 LYS QG 4.000 . 6.500 3.648 2.404 5.241 . 0 0 "[ . 1]" 1
169 1 8 ASP H 1 21 LYS H 3.400 . 4.200 4.276 4.224 4.293 0.093 9 0 "[ . 1]" 1
170 1 8 ASP H 1 52 TYR QD 5.000 . 8.500 4.383 4.183 4.723 . 0 0 "[ . 1]" 1
171 1 9 PHE HA 1 9 PHE QE 5.000 . 8.500 4.437 4.295 4.563 . 0 0 "[ . 1]" 1
172 1 9 PHE HA 1 10 SER H 2.500 . 3.200 2.184 2.024 2.289 . 0 0 "[ . 1]" 1
173 1 9 PHE HA 1 52 TYR QE 4.000 . 7.500 3.379 3.024 3.865 . 0 0 "[ . 1]" 1
174 1 9 PHE H 1 9 PHE HB3 3.400 . 4.200 3.254 3.138 3.319 . 0 0 "[ . 1]" 1
175 1 9 PHE HB3 1 19 PHE QE 4.000 . 7.500 3.374 2.469 3.719 . 0 0 "[ . 1]" 1
176 1 9 PHE HB3 1 19 PHE H 3.400 . 4.200 3.338 3.113 3.533 . 0 0 "[ . 1]" 1
177 1 9 PHE HB3 1 19 PHE HZ 5.000 . 6.500 3.769 3.490 4.027 . 0 0 "[ . 1]" 1
178 1 9 PHE HB3 1 52 TYR QE 4.000 . 7.500 4.652 4.275 5.142 . 0 0 "[ . 1]" 1
179 1 9 PHE H 1 9 PHE HB2 3.400 . 4.200 3.412 3.355 3.539 . 0 0 "[ . 1]" 1
180 1 9 PHE HB2 1 10 SER H 4.000 . 5.500 3.834 3.733 4.187 . 0 0 "[ . 1]" 1
181 1 9 PHE HB2 1 19 PHE QE 4.000 . 7.500 3.602 3.051 3.965 . 0 0 "[ . 1]" 1
182 1 9 PHE HB2 1 19 PHE H 5.000 2.800 6.500 4.860 4.617 5.069 . 0 0 "[ . 1]" 1
183 1 9 PHE HB2 1 19 PHE HZ 4.000 . 5.500 3.708 3.243 4.085 . 0 0 "[ . 1]" 1
184 1 9 PHE HB2 1 36 TRP HZ3 5.000 . 6.500 6.569 6.522 6.640 0.140 6 0 "[ . 1]" 1
185 1 9 PHE HB2 1 52 TYR QD 3.400 . 6.200 2.093 1.810 2.596 . 0 0 "[ . 1]" 1
186 1 9 PHE HB2 1 52 TYR QE 4.000 . 7.500 3.045 2.648 3.575 . 0 0 "[ . 1]" 1
187 1 9 PHE H 1 9 PHE QD 4.000 . 7.500 4.563 4.543 4.577 . 0 0 "[ . 1]" 1
188 1 9 PHE QD 1 10 SER H 3.400 . 6.200 2.845 2.476 3.455 . 0 0 "[ . 1]" 1
189 1 9 PHE QD 1 19 PHE QE 4.000 . 9.500 3.827 2.931 4.456 . 0 0 "[ . 1]" 1
190 1 9 PHE QD 1 19 PHE H 4.000 . 7.500 4.159 3.640 4.580 . 0 0 "[ . 1]" 1
191 1 9 PHE QD 1 19 PHE HZ 5.000 . 8.500 4.663 4.292 4.867 . 0 0 "[ . 1]" 1
192 1 9 PHE QD 1 49 PRO HB2 5.000 . 8.500 4.543 3.811 4.976 . 0 0 "[ . 1]" 1
193 1 9 PHE QD 1 49 PRO QD 4.000 . 8.500 2.838 2.434 3.410 . 0 0 "[ . 1]" 1
194 1 9 PHE QD 1 49 PRO QG 5.000 . 9.500 2.714 2.482 2.877 . 0 0 "[ . 1]" 1
195 1 9 PHE QE 1 10 SER H 5.000 . 8.500 3.739 3.525 4.395 . 0 0 "[ . 1]" 1
196 1 9 PHE QE 1 11 ALA HA 3.400 . 6.200 1.962 1.770 2.501 0.030 10 0 "[ . 1]" 1
197 1 9 PHE QE 1 11 ALA MB 4.000 . 9.000 3.560 3.050 4.123 . 0 0 "[ . 1]" 1
198 1 9 PHE QE 1 11 ALA H 5.000 . 8.500 3.485 3.139 3.957 . 0 0 "[ . 1]" 1
199 1 9 PHE QE 1 12 THR H 4.000 . 7.500 2.990 2.681 3.359 . 0 0 "[ . 1]" 1
200 1 9 PHE QE 1 17 LEU H 4.000 . 7.500 5.711 4.420 7.019 . 0 0 "[ . 1]" 1
201 1 9 PHE QE 1 36 TRP HZ3 4.000 . 7.500 3.239 2.586 3.627 . 0 0 "[ . 1]" 1
202 1 9 PHE QE 1 48 ILE HA 4.000 . 7.500 4.140 3.614 5.170 . 0 0 "[ . 1]" 1
203 1 9 PHE QE 1 48 ILE HB 5.000 . 8.500 5.619 5.120 6.391 . 0 0 "[ . 1]" 1
204 1 9 PHE QE 1 49 PRO QD 4.000 . 8.500 2.537 2.271 3.253 . 0 0 "[ . 1]" 1
205 1 9 PHE QE 1 49 PRO QG 4.000 . 8.500 2.955 2.520 3.453 . 0 0 "[ . 1]" 1
206 1 9 PHE H 1 19 PHE HA 5.000 . 6.500 5.310 5.085 5.384 . 0 0 "[ . 1]" 1
207 1 9 PHE H 1 19 PHE QB 5.000 . 7.500 5.350 5.144 5.539 . 0 0 "[ . 1]" 1
208 1 9 PHE H 1 19 PHE QE 5.000 . 8.500 4.656 4.406 5.325 . 0 0 "[ . 1]" 1
209 1 9 PHE H 1 20 ARG HA 3.400 . 4.200 3.327 3.034 3.491 . 0 0 "[ . 1]" 1
210 1 9 PHE H 1 20 ARG QD 5.000 . 7.500 5.540 3.985 6.724 . 0 0 "[ . 1]" 1
211 1 9 PHE H 1 21 LYS H 4.000 . 5.500 4.941 4.524 5.225 . 0 0 "[ . 1]" 1
212 1 9 PHE H 1 52 TYR QD 4.000 . 7.500 4.662 4.395 5.021 . 0 0 "[ . 1]" 1
213 1 9 PHE HZ 1 11 ALA HA 4.000 . 5.500 3.838 2.434 4.770 . 0 0 "[ . 1]" 1
214 1 9 PHE HZ 1 36 TRP HE3 5.000 . 6.500 5.513 4.948 5.946 . 0 0 "[ . 1]" 1
215 1 9 PHE HZ 1 36 TRP HZ3 4.000 . 5.500 3.206 2.596 3.613 . 0 0 "[ . 1]" 1
216 1 10 SER HA 1 11 ALA H 2.500 . 3.200 2.126 2.106 2.154 . 0 0 "[ . 1]" 1
217 1 10 SER HA 1 18 SER HB3 4.000 . 5.500 2.488 1.896 3.807 . 0 0 "[ . 1]" 1
218 1 10 SER HA 1 18 SER HB2 4.000 . 5.500 2.847 1.904 3.666 . 0 0 "[ . 1]" 1
219 1 10 SER HA 1 18 SER H 5.000 . 6.500 4.773 4.097 5.220 . 0 0 "[ . 1]" 1
220 1 10 SER HA 1 19 PHE H 4.000 . 5.500 3.664 3.434 3.919 . 0 0 "[ . 1]" 1
221 1 10 SER QB 1 11 ALA H 3.400 . 5.200 3.726 3.522 3.945 . 0 0 "[ . 1]" 1
222 1 10 SER H 1 19 PHE QE 4.000 . 7.500 6.279 5.976 6.489 . 0 0 "[ . 1]" 1
223 1 10 SER H 1 52 TYR QE 4.000 . 7.500 4.880 4.578 5.394 . 0 0 "[ . 1]" 1
224 1 11 ALA HA 1 12 THR H 2.500 . 3.200 2.072 2.035 2.093 . 0 0 "[ . 1]" 1
225 1 11 ALA HA 1 13 ALA H 4.000 . 5.500 3.526 3.467 3.568 . 0 0 "[ . 1]" 1
226 1 11 ALA HA 1 16 GLU HA 5.000 . 6.500 5.126 5.023 5.250 . 0 0 "[ . 1]" 1
227 1 11 ALA HA 1 16 GLU QB 3.400 . 5.200 2.511 2.332 2.968 . 0 0 "[ . 1]" 1
228 1 11 ALA HA 1 16 GLU HG2 5.000 . 6.500 4.364 1.980 5.228 . 0 0 "[ . 1]" 1
229 1 11 ALA HA 1 16 GLU H 5.000 . 6.500 5.488 5.342 5.663 . 0 0 "[ . 1]" 1
230 1 11 ALA HA 1 17 LEU H 4.000 . 5.500 4.886 3.689 5.570 0.070 6 0 "[ . 1]" 1
231 1 11 ALA MB 1 12 THR H 3.400 . 5.700 2.758 2.677 2.826 . 0 0 "[ . 1]" 1
232 1 11 ALA MB 1 16 GLU HA 4.000 . 7.000 3.569 3.448 3.757 . 0 0 "[ . 1]" 1
233 1 11 ALA MB 1 16 GLU QB 2.500 . 5.700 1.689 1.622 1.767 0.178 9 0 "[ . 1]" 1
234 1 11 ALA MB 1 17 LEU H 4.000 . 7.000 3.311 2.440 3.819 . 0 0 "[ . 1]" 1
235 1 11 ALA MB 1 18 SER HB3 5.000 . 8.000 3.926 2.923 4.733 . 0 0 "[ . 1]" 1
236 1 11 ALA MB 1 18 SER H 4.000 . 7.000 3.405 3.017 3.595 . 0 0 "[ . 1]" 1
237 1 11 ALA H 1 13 ALA H 5.000 . 6.500 5.578 5.469 5.689 . 0 0 "[ . 1]" 1
238 1 11 ALA H 1 16 GLU QB 5.000 . 7.500 4.085 3.936 4.590 . 0 0 "[ . 1]" 1
239 1 11 ALA H 1 16 GLU H 5.000 2.800 6.500 6.537 6.409 6.594 0.094 1 0 "[ . 1]" 1
240 1 11 ALA H 1 18 SER HB3 4.000 . 5.500 3.142 2.316 3.880 . 0 0 "[ . 1]" 1
241 1 11 ALA H 1 18 SER HB2 4.000 . 5.500 3.432 2.119 4.118 . 0 0 "[ . 1]" 1
242 1 11 ALA H 1 18 SER H 5.000 . 6.500 3.931 3.317 4.215 . 0 0 "[ . 1]" 1
243 1 11 ALA H 1 19 PHE H 5.000 . 6.500 4.438 4.217 4.601 . 0 0 "[ . 1]" 1
244 1 11 ALA H 1 48 ILE MG 5.000 . 8.000 5.085 4.143 5.443 . 0 0 "[ . 1]" 1
245 1 12 THR HA 1 12 THR MG 2.500 . 4.700 2.871 2.780 2.961 . 0 0 "[ . 1]" 1
246 1 12 THR HA 1 13 ALA H 3.400 . 4.200 3.345 3.312 3.381 . 0 0 "[ . 1]" 1
247 1 12 THR HB 1 49 PRO HA 5.000 . 6.500 6.777 6.714 6.815 0.315 7 0 "[ . 1]" 1
248 1 12 THR H 1 12 THR MG 3.400 . 5.700 3.459 3.335 3.566 . 0 0 "[ . 1]" 1
249 1 12 THR MG 1 13 ALA H 3.400 . 5.700 3.489 3.301 3.610 . 0 0 "[ . 1]" 1
250 1 12 THR H 1 13 ALA H 2.500 . 3.200 2.046 1.997 2.100 . 0 0 "[ . 1]" 1
251 1 12 THR H 1 16 GLU QB 3.400 . 5.200 2.684 2.586 2.764 . 0 0 "[ . 1]" 1
252 1 13 ALA HA 1 14 ASP H 3.400 . 4.200 2.397 2.383 2.413 . 0 0 "[ . 1]" 1
253 1 13 ALA HA 1 16 GLU H 5.000 . 6.500 4.918 4.740 5.218 . 0 0 "[ . 1]" 1
254 1 13 ALA MB 1 14 ASP H 3.400 . 5.700 2.721 2.607 2.879 . 0 0 "[ . 1]" 1
255 1 13 ALA MB 1 15 ASP H 3.400 . 5.700 2.737 2.619 2.884 . 0 0 "[ . 1]" 1
256 1 13 ALA MB 1 16 GLU HA 5.000 . 8.000 4.202 3.882 4.336 . 0 0 "[ . 1]" 1
257 1 13 ALA MB 1 16 GLU H 3.400 . 5.700 3.394 3.172 3.624 . 0 0 "[ . 1]" 1
258 1 13 ALA MB 1 47 LEU MD1 3.400 . 7.200 3.804 2.145 5.580 . 0 0 "[ . 1]" 1
259 1 13 ALA H 1 15 ASP H 5.000 . 6.500 5.055 4.877 5.226 . 0 0 "[ . 1]" 1
260 1 13 ALA H 1 16 GLU HA 5.000 . 6.500 4.872 4.693 4.985 . 0 0 "[ . 1]" 1
261 1 13 ALA H 1 16 GLU QB 3.400 . 5.200 2.034 1.832 2.170 . 0 0 "[ . 1]" 1
262 1 13 ALA H 1 16 GLU QG 4.000 . 6.500 2.807 2.159 3.532 . 0 0 "[ . 1]" 1
263 1 14 ASP HA 1 15 ASP H 3.400 . 4.200 3.507 3.493 3.527 . 0 0 "[ . 1]" 1
264 1 14 ASP HA 1 16 GLU H 4.000 . 5.500 3.528 3.458 3.597 . 0 0 "[ . 1]" 1
265 1 14 ASP QB 1 15 ASP H 3.400 . 5.200 2.868 2.553 3.400 . 0 0 "[ . 1]" 1
266 1 14 ASP H 1 15 ASP H 3.400 . 4.200 2.710 2.646 2.784 . 0 0 "[ . 1]" 1
267 1 14 ASP H 1 16 GLU H 5.000 . 6.500 4.231 4.100 4.468 . 0 0 "[ . 1]" 1
268 1 15 ASP HA 1 16 GLU H 3.400 . 4.200 3.020 2.874 3.104 . 0 0 "[ . 1]" 1
269 1 15 ASP HB3 1 47 LEU MD1 5.000 . 8.000 4.180 2.585 6.924 . 0 0 "[ . 1]" 1
270 1 15 ASP HB2 1 47 LEU MD1 4.000 . 7.000 3.950 2.409 5.493 . 0 0 "[ . 1]" 1
271 1 15 ASP H 1 16 GLU H 3.400 . 4.200 2.849 2.744 3.030 . 0 0 "[ . 1]" 1
272 1 16 GLU HA 1 16 GLU QG 3.400 . 5.200 2.209 2.113 2.370 . 0 0 "[ . 1]" 1
273 1 16 GLU HA 1 17 LEU H 2.500 . 3.200 2.294 2.069 2.616 . 0 0 "[ . 1]" 1
274 1 16 GLU HA 1 46 GLY QA 4.000 . 6.500 3.190 2.416 3.520 . 0 0 "[ . 1]" 1
275 1 16 GLU HA 1 47 LEU HA 5.000 . 6.500 3.992 3.850 4.209 . 0 0 "[ . 1]" 1
276 1 16 GLU HA 1 47 LEU QB 3.400 . 5.200 2.512 2.025 3.179 . 0 0 "[ . 1]" 1
277 1 16 GLU HA 1 47 LEU MD1 4.000 . 7.000 4.011 3.345 5.110 . 0 0 "[ . 1]" 1
278 1 16 GLU HA 1 47 LEU MD2 4.000 . 7.000 4.422 3.179 5.235 . 0 0 "[ . 1]" 1
279 1 16 GLU HA 1 47 LEU H 3.400 . 4.200 2.129 1.808 2.913 . 0 0 "[ . 1]" 1
280 1 16 GLU HA 1 48 ILE MG 5.000 . 8.000 3.965 3.381 4.656 . 0 0 "[ . 1]" 1
281 1 16 GLU QB 1 17 LEU H 3.400 . 5.200 3.041 2.239 3.473 . 0 0 "[ . 1]" 1
282 1 16 GLU QB 1 47 LEU H 4.000 . 6.500 4.253 3.863 4.953 . 0 0 "[ . 1]" 1
283 1 16 GLU H 1 16 GLU QG 3.400 . 5.200 3.399 3.074 4.029 . 0 0 "[ . 1]" 1
284 1 16 GLU QG 1 36 TRP QB 5.000 . 8.500 4.313 3.708 4.874 . 0 0 "[ . 1]" 1
285 1 16 GLU QG 1 47 LEU HA 4.000 . 6.500 4.048 3.677 4.444 . 0 0 "[ . 1]" 1
286 1 16 GLU QG 1 47 LEU MD1 4.000 . 8.000 3.133 1.889 4.542 . 0 0 "[ . 1]" 1
287 1 16 GLU QG 1 47 LEU MD2 4.000 . 8.000 3.527 2.668 4.415 . 0 0 "[ . 1]" 1
288 1 16 GLU QG 1 47 LEU H 4.000 . 6.500 3.295 2.415 3.890 . 0 0 "[ . 1]" 1
289 1 16 GLU H 1 47 LEU QB 5.000 . 7.500 4.519 4.215 5.241 . 0 0 "[ . 1]" 1
290 1 16 GLU H 1 47 LEU MD1 5.000 . 8.000 5.192 3.804 6.739 . 0 0 "[ . 1]" 1
291 1 16 GLU H 1 47 LEU H 5.000 . 6.500 4.324 3.975 4.766 . 0 0 "[ . 1]" 1
292 1 17 LEU HA 1 17 LEU MD1 2.500 . 4.700 2.596 1.812 3.848 . 0 0 "[ . 1]" 1
293 1 17 LEU HA 1 18 SER H 2.500 . 3.200 2.161 2.148 2.175 . 0 0 "[ . 1]" 1
294 1 17 LEU HA 1 46 GLY QA 4.000 . 6.500 3.859 3.531 4.424 . 0 0 "[ . 1]" 1
295 1 17 LEU HB3 1 46 GLY QA 4.000 . 6.500 3.746 3.203 4.000 . 0 0 "[ . 1]" 1
296 1 17 LEU HB3 1 46 GLY H 4.000 . 5.500 4.597 4.241 5.342 . 0 0 "[ . 1]" 1
297 1 17 LEU HB3 1 47 LEU H 4.000 . 5.500 5.289 4.756 5.547 0.047 3 0 "[ . 1]" 1
298 1 17 LEU H 1 17 LEU HB2 3.400 . 4.200 2.555 2.191 3.792 . 0 0 "[ . 1]" 1
299 1 17 LEU HB2 1 46 GLY QA 4.000 . 6.500 2.508 1.892 4.846 . 0 0 "[ . 1]" 1
300 1 17 LEU HB2 1 46 GLY H 5.000 . 6.500 3.656 3.030 5.910 . 0 0 "[ . 1]" 1
301 1 17 LEU H 1 17 LEU MD1 3.400 . 5.700 3.973 3.673 4.238 . 0 0 "[ . 1]" 1
302 1 17 LEU MD1 1 18 SER H 3.400 . 5.700 3.308 1.934 4.388 . 0 0 "[ . 1]" 1
303 1 17 LEU MD1 1 41 LEU H 4.000 . 7.000 4.045 2.996 4.911 . 0 0 "[ . 1]" 1
304 1 17 LEU MD1 1 44 LYS QE 5.000 . 9.000 4.701 2.780 6.474 . 0 0 "[ . 1]" 1
305 1 17 LEU MD1 1 45 GLU HA 4.000 . 7.000 4.719 3.489 6.327 . 0 0 "[ . 1]" 1
306 1 17 LEU MD1 1 45 GLU H 4.000 . 7.000 5.264 4.220 6.928 . 0 0 "[ . 1]" 1
307 1 17 LEU MD1 1 46 GLY QA 4.000 . 8.000 3.405 1.895 5.003 . 0 0 "[ . 1]" 1
308 1 17 LEU MD1 1 46 GLY H 3.400 . 5.700 3.939 2.821 5.307 . 0 0 "[ . 1]" 1
309 1 17 LEU MD1 1 47 LEU HA 5.000 . 8.000 6.529 5.384 7.158 . 0 0 "[ . 1]" 1
310 1 17 LEU H 1 17 LEU MD2 4.000 . 7.000 4.036 2.949 4.527 . 0 0 "[ . 1]" 1
311 1 17 LEU MD2 1 41 LEU H 3.400 . 5.700 3.702 2.772 4.309 . 0 0 "[ . 1]" 1
312 1 17 LEU MD2 1 45 GLU HA 4.000 . 7.000 4.490 3.385 5.621 . 0 0 "[ . 1]" 1
313 1 17 LEU MD2 1 45 GLU H 4.000 . 7.000 5.563 4.249 6.715 . 0 0 "[ . 1]" 1
314 1 17 LEU MD2 1 46 GLY H 3.400 . 5.700 3.567 2.126 4.751 . 0 0 "[ . 1]" 1
315 1 17 LEU HG 1 18 SER H 4.000 . 5.500 3.463 2.698 4.754 . 0 0 "[ . 1]" 1
316 1 17 LEU H 1 47 LEU H 3.400 . 4.200 3.383 2.560 4.219 0.019 9 0 "[ . 1]" 1
317 1 17 LEU H 1 48 ILE MG 4.000 . 7.000 2.540 2.118 3.481 . 0 0 "[ . 1]" 1
318 1 18 SER HA 1 19 PHE H 2.500 . 3.200 2.379 2.284 2.442 . 0 0 "[ . 1]" 1
319 1 18 SER HB3 1 19 PHE H 3.400 . 4.200 3.089 2.275 3.806 . 0 0 "[ . 1]" 1
320 1 18 SER H 1 18 SER HB2 3.400 . 4.200 3.001 2.523 3.682 . 0 0 "[ . 1]" 1
321 1 19 PHE HA 1 19 PHE QD 4.000 . 7.500 3.706 3.669 3.730 . 0 0 "[ . 1]" 1
322 1 19 PHE HA 1 20 ARG H 2.500 . 3.200 2.573 2.525 2.594 . 0 0 "[ . 1]" 1
323 1 19 PHE HA 1 23 GLN H 5.000 . 6.500 6.552 6.465 6.593 0.093 4 0 "[ . 1]" 1
324 1 19 PHE HA 1 25 LEU MD2 5.000 . 8.000 4.941 4.037 7.251 . 0 0 "[ . 1]" 1
325 1 19 PHE HA 1 41 LEU MD1 3.400 . 5.700 4.948 4.183 5.722 0.022 3 0 "[ . 1]" 1
326 1 19 PHE HA 1 41 LEU MD2 3.400 . 5.700 4.110 3.429 5.346 . 0 0 "[ . 1]" 1
327 1 19 PHE QB 1 20 ARG H 3.400 . 5.200 2.046 1.984 2.115 . 0 0 "[ . 1]" 1
328 1 19 PHE QB 1 23 GLN HB2 5.000 . 7.500 3.158 2.517 4.327 . 0 0 "[ . 1]" 1
329 1 19 PHE QB 1 23 GLN H 5.000 . 7.500 4.467 4.347 4.638 . 0 0 "[ . 1]" 1
330 1 19 PHE QB 1 24 ILE MD 4.000 . 8.000 7.175 6.135 7.862 . 0 0 "[ . 1]" 1
331 1 19 PHE QB 1 24 ILE MG 4.000 . 8.000 6.715 5.783 7.329 . 0 0 "[ . 1]" 1
332 1 19 PHE QB 1 25 LEU MD1 4.000 . 8.000 3.591 2.429 5.671 . 0 0 "[ . 1]" 1
333 1 19 PHE QB 1 25 LEU MD2 4.000 . 8.000 2.773 2.056 4.785 . 0 0 "[ . 1]" 1
334 1 19 PHE QB 1 41 LEU MD2 3.400 . 6.600 3.474 2.466 4.926 . 0 0 "[ . 1]" 1
335 1 19 PHE H 1 19 PHE QD 3.400 . 6.200 3.339 2.650 3.552 . 0 0 "[ . 1]" 1
336 1 19 PHE QD 1 20 ARG H 3.400 . 6.200 2.798 2.653 3.015 . 0 0 "[ . 1]" 1
337 1 19 PHE QD 1 21 LYS H 5.000 . 8.500 4.577 4.373 4.901 . 0 0 "[ . 1]" 1
338 1 19 PHE QD 1 25 LEU MD2 3.400 . 7.700 2.938 1.959 4.323 . 0 0 "[ . 1]" 1
339 1 19 PHE QD 1 25 LEU MD1 4.000 . 9.000 3.100 1.907 5.090 . 0 0 "[ . 1]" 1
340 1 19 PHE QD 1 48 ILE HB 2.500 . 5.200 3.850 3.492 4.597 . 0 0 "[ . 1]" 1
341 1 19 PHE QD 1 48 ILE QG 5.000 . 9.500 4.722 4.181 5.077 . 0 0 "[ . 1]" 1
342 1 19 PHE QD 1 48 ILE MG 3.400 . 7.700 2.597 2.169 3.252 . 0 0 "[ . 1]" 1
343 1 19 PHE QD 1 52 TYR QB 5.000 . 9.500 4.781 4.490 5.261 . 0 0 "[ . 1]" 1
344 1 19 PHE H 1 19 PHE QE 5.000 . 8.500 4.625 4.262 4.791 . 0 0 "[ . 1]" 1
345 1 19 PHE QE 1 21 LYS H 5.000 . 8.500 5.460 5.143 5.703 . 0 0 "[ . 1]" 1
346 1 19 PHE QE 1 25 LEU MD1 4.000 . 9.000 3.252 2.232 4.705 . 0 0 "[ . 1]" 1
347 1 19 PHE QE 1 25 LEU MD2 4.000 . 9.000 3.801 2.875 4.452 . 0 0 "[ . 1]" 1
348 1 19 PHE QE 1 48 ILE HA 4.000 . 7.500 3.977 3.430 4.379 . 0 0 "[ . 1]" 1
349 1 19 PHE QE 1 48 ILE HB 2.500 . 5.200 2.242 1.764 3.159 0.036 8 0 "[ . 1]" 1
350 1 19 PHE QE 1 48 ILE MG 3.400 . 7.700 2.626 1.988 3.580 . 0 0 "[ . 1]" 1
351 1 19 PHE QE 1 49 PRO QD 3.400 . 7.200 2.775 1.919 3.772 . 0 0 "[ . 1]" 1
352 1 19 PHE QE 1 49 PRO QG 4.000 . 8.500 3.079 2.144 4.133 . 0 0 "[ . 1]" 1
353 1 19 PHE QE 1 52 TYR QB 4.000 . 8.500 2.834 2.405 3.391 . 0 0 "[ . 1]" 1
354 1 19 PHE QE 1 53 ILE MG 4.000 . 9.000 3.193 2.831 3.755 . 0 0 "[ . 1]" 1
355 1 19 PHE HZ 1 48 ILE HB 4.000 . 5.500 4.059 3.383 4.494 . 0 0 "[ . 1]" 1
356 1 19 PHE HZ 1 48 ILE MD 4.000 . 7.000 4.629 3.679 6.454 . 0 0 "[ . 1]" 1
357 1 19 PHE HZ 1 48 ILE QG 5.000 . 7.500 5.437 4.512 6.065 . 0 0 "[ . 1]" 1
358 1 19 PHE HZ 1 48 ILE MG 4.000 . 7.000 4.670 3.865 5.350 . 0 0 "[ . 1]" 1
359 1 19 PHE HZ 1 49 PRO QD 4.000 . 6.500 4.017 3.348 4.978 . 0 0 "[ . 1]" 1
360 1 19 PHE HZ 1 52 TYR QB 3.400 . 5.200 2.187 1.851 2.642 . 0 0 "[ . 1]" 1
361 1 19 PHE HZ 1 53 ILE H 5.000 . 6.500 4.874 4.005 5.364 . 0 0 "[ . 1]" 1
362 1 20 ARG HA 1 20 ARG QD 3.400 . 5.200 3.299 2.214 4.132 . 0 0 "[ . 1]" 1
363 1 20 ARG HA 1 20 ARG QG 3.400 . 5.200 2.561 2.125 3.435 . 0 0 "[ . 1]" 1
364 1 20 ARG HA 1 21 LYS H 2.500 . 3.200 2.510 2.464 2.546 . 0 0 "[ . 1]" 1
365 1 20 ARG HB3 1 20 ARG HE 5.000 . 6.500 3.703 2.590 4.826 . 0 0 "[ . 1]" 1
366 1 20 ARG HB3 1 21 LYS H 3.400 . 4.200 2.809 2.369 3.652 . 0 0 "[ . 1]" 1
367 1 20 ARG H 1 20 ARG QD 4.000 . 6.500 3.904 2.274 4.817 . 0 0 "[ . 1]" 1
368 1 20 ARG QD 1 21 LYS H 4.000 . 6.500 4.175 3.512 5.013 . 0 0 "[ . 1]" 1
369 1 20 ARG H 1 20 ARG QG 3.400 . 5.200 3.259 1.961 4.110 . 0 0 "[ . 1]" 1
370 1 20 ARG H 1 23 GLN HA 5.000 . 6.500 5.398 4.962 5.733 . 0 0 "[ . 1]" 1
371 1 20 ARG H 1 23 GLN HE21 5.000 . 6.500 4.603 2.318 5.972 . 0 0 "[ . 1]" 1
372 1 20 ARG H 1 23 GLN HE22 5.000 . 6.500 4.990 3.220 5.888 . 0 0 "[ . 1]" 1
373 1 20 ARG H 1 23 GLN QG 4.000 . 6.500 3.330 1.789 4.714 0.011 1 0 "[ . 1]" 1
374 1 20 ARG H 1 25 LEU MD1 5.000 . 8.000 5.754 4.699 7.707 . 0 0 "[ . 1]" 1
375 1 20 ARG H 1 25 LEU MD2 5.000 . 8.000 4.910 4.060 6.594 . 0 0 "[ . 1]" 1
376 1 20 ARG H 1 41 LEU MD1 4.000 . 7.000 5.522 5.043 6.257 . 0 0 "[ . 1]" 1
377 1 20 ARG H 1 41 LEU MD2 4.000 . 7.000 5.373 4.497 6.710 . 0 0 "[ . 1]" 1
378 1 21 LYS HA 1 21 LYS QG 3.400 . 5.200 2.563 2.046 3.362 . 0 0 "[ . 1]" 1
379 1 21 LYS HA 1 22 THR H 2.500 . 3.200 2.200 2.149 2.235 . 0 0 "[ . 1]" 1
380 1 21 LYS HA 1 23 GLN H 3.400 . 4.200 3.598 3.539 3.669 . 0 0 "[ . 1]" 1
381 1 21 LYS HB3 1 22 THR H 4.000 . 5.500 3.791 3.279 4.337 . 0 0 "[ . 1]" 1
382 1 21 LYS HB2 1 22 THR H 4.000 . 5.500 3.986 3.096 4.418 . 0 0 "[ . 1]" 1
383 1 21 LYS H 1 21 LYS QE 5.000 . 7.500 4.732 3.894 5.618 . 0 0 "[ . 1]" 1
384 1 21 LYS H 1 21 LYS QG 3.400 . 5.200 3.249 2.014 3.939 . 0 0 "[ . 1]" 1
385 1 21 LYS QG 1 22 THR H 3.400 . 5.200 3.231 2.497 4.184 . 0 0 "[ . 1]" 1
386 1 21 LYS H 1 23 GLN H 4.000 . 5.500 4.803 4.671 4.891 . 0 0 "[ . 1]" 1
387 1 22 THR HA 1 22 THR MG 2.500 . 4.700 2.475 2.071 3.136 . 0 0 "[ . 1]" 1
388 1 22 THR H 1 22 THR HA 2.500 . 3.200 2.246 2.237 2.265 . 0 0 "[ . 1]" 1
389 1 22 THR HA 1 23 GLN H 3.400 . 4.200 3.289 3.175 3.397 . 0 0 "[ . 1]" 1
390 1 22 THR H 1 22 THR HB 3.400 . 4.200 3.720 3.173 4.004 . 0 0 "[ . 1]" 1
391 1 22 THR HB 1 23 GLN H 4.000 . 5.500 4.025 3.591 4.578 . 0 0 "[ . 1]" 1
392 1 22 THR H 1 22 THR MG 3.400 . 5.700 3.658 2.595 4.092 . 0 0 "[ . 1]" 1
393 1 22 THR MG 1 23 GLN H 4.000 . 7.000 4.096 3.291 4.466 . 0 0 "[ . 1]" 1
394 1 22 THR H 1 23 GLN H 3.400 . 4.200 2.761 2.676 2.864 . 0 0 "[ . 1]" 1
395 1 23 GLN HA 1 23 GLN HE21 4.000 . 5.500 4.640 3.764 5.008 . 0 0 "[ . 1]" 1
396 1 23 GLN HA 1 23 GLN HE22 5.000 . 6.500 5.524 4.882 5.937 . 0 0 "[ . 1]" 1
397 1 23 GLN HA 1 23 GLN QG 2.500 . 4.200 2.268 2.014 3.329 . 0 0 "[ . 1]" 1
398 1 23 GLN HB3 1 23 GLN HE21 4.000 . 6.500 3.605 2.249 4.421 . 0 0 "[ . 1]" 1
399 1 23 GLN HB3 1 23 GLN HE22 4.000 . 6.500 4.198 3.489 4.923 . 0 0 "[ . 1]" 1
400 1 23 GLN HB2 1 41 LEU MD1 4.000 . 7.000 5.082 4.100 5.782 . 0 0 "[ . 1]" 1
401 1 23 GLN HE21 1 41 LEU MD2 3.400 . 5.700 4.279 3.370 5.249 . 0 0 "[ . 1]" 1
402 1 23 GLN HE22 1 23 GLN QG 3.400 . 5.200 3.258 3.208 3.385 . 0 0 "[ . 1]" 1
403 1 23 GLN HE22 1 24 ILE H 5.000 . 6.500 5.399 3.749 6.436 . 0 0 "[ . 1]" 1
404 1 23 GLN HE22 1 41 LEU MD2 3.400 . 5.700 3.536 2.428 5.069 . 0 0 "[ . 1]" 1
405 1 23 GLN HE22 1 41 LEU HG 5.000 . 6.500 4.833 3.824 5.996 . 0 0 "[ . 1]" 1
406 1 23 GLN H 1 23 GLN QG 3.400 . 5.200 3.480 2.472 4.098 . 0 0 "[ . 1]" 1
407 1 23 GLN QG 1 24 ILE H 3.400 . 5.200 2.948 2.008 3.918 . 0 0 "[ . 1]" 1
408 1 23 GLN QG 1 41 LEU MD1 4.000 . 8.000 4.159 3.142 5.308 . 0 0 "[ . 1]" 1
409 1 23 GLN QG 1 41 LEU MD2 4.000 . 8.000 4.946 4.023 6.232 . 0 0 "[ . 1]" 1
410 1 23 GLN H 1 25 LEU MD1 5.000 . 8.000 5.490 4.587 7.438 . 0 0 "[ . 1]" 1
411 1 23 GLN H 1 25 LEU MD2 5.000 . 8.000 5.114 4.206 6.691 . 0 0 "[ . 1]" 1
412 1 24 ILE HA 1 24 ILE MD 2.500 . 4.700 3.221 1.776 4.183 0.024 10 0 "[ . 1]" 1
413 1 24 ILE HA 1 24 ILE QG 3.400 . 5.200 2.886 2.213 3.476 . 0 0 "[ . 1]" 1
414 1 24 ILE HA 1 25 LEU H 2.500 . 3.200 2.169 2.116 2.237 . 0 0 "[ . 1]" 1
415 1 24 ILE H 1 24 ILE HB 3.400 . 4.200 3.042 2.316 3.666 . 0 0 "[ . 1]" 1
416 1 24 ILE HB 1 25 LEU H 4.000 . 5.500 3.905 3.349 4.507 . 0 0 "[ . 1]" 1
417 1 24 ILE H 1 24 ILE MD 3.400 . 5.700 3.415 1.977 4.223 . 0 0 "[ . 1]" 1
418 1 24 ILE MD 1 25 LEU H 4.000 . 7.000 4.013 2.648 5.316 . 0 0 "[ . 1]" 1
419 1 24 ILE QG 1 25 LEU H 4.000 . 6.500 3.795 2.486 4.715 . 0 0 "[ . 1]" 1
420 1 24 ILE H 1 24 ILE MG 3.400 . 5.700 2.750 1.872 3.773 . 0 0 "[ . 1]" 1
421 1 24 ILE MG 1 25 LEU H 3.400 . 5.700 3.606 2.310 4.049 . 0 0 "[ . 1]" 1
422 1 24 ILE H 1 25 LEU H 4.000 . 5.500 4.465 4.349 4.597 . 0 0 "[ . 1]" 1
423 1 24 ILE H 1 41 LEU MD1 3.400 . 5.700 4.877 4.282 5.573 . 0 0 "[ . 1]" 1
424 1 25 LEU HA 1 25 LEU MD2 3.400 . 5.700 2.752 2.203 3.692 . 0 0 "[ . 1]" 1
425 1 25 LEU HA 1 26 LYS H 2.500 . 3.200 2.202 2.154 2.265 . 0 0 "[ . 1]" 1
426 1 25 LEU HA 1 39 ALA MB 4.000 . 7.000 3.916 3.593 4.078 . 0 0 "[ . 1]" 1
427 1 25 LEU QB 1 26 LYS H 3.400 . 5.200 2.811 2.760 2.885 . 0 0 "[ . 1]" 1
428 1 25 LEU QB 1 27 ILE HA 4.000 . 6.500 4.699 4.521 5.388 . 0 0 "[ . 1]" 1
429 1 25 LEU H 1 25 LEU MD1 4.000 . 7.000 3.537 2.798 4.023 . 0 0 "[ . 1]" 1
430 1 25 LEU MD1 1 26 LYS H 5.000 . 8.000 4.653 3.469 4.954 . 0 0 "[ . 1]" 1
431 1 25 LEU MD1 1 39 ALA MB 3.400 . 7.200 3.282 2.082 4.239 . 0 0 "[ . 1]" 1
432 1 25 LEU MD1 1 41 LEU MD1 4.000 . 8.500 4.600 3.053 6.527 . 0 0 "[ . 1]" 1
433 1 25 LEU MD1 1 41 LEU MD2 4.000 . 8.500 5.271 3.339 6.280 . 0 0 "[ . 1]" 1
434 1 25 LEU MD1 1 48 ILE HB 2.500 . 4.700 3.771 2.880 4.647 . 0 0 "[ . 1]" 1
435 1 25 LEU MD1 1 48 ILE MG 4.000 . 8.500 3.254 2.578 4.687 . 0 0 "[ . 1]" 1
436 1 25 LEU MD1 1 53 ILE HA 5.000 . 8.000 4.920 3.845 7.223 . 0 0 "[ . 1]" 1
437 1 25 LEU MD1 1 53 ILE MD 4.000 . 8.500 3.386 1.777 6.035 0.023 2 0 "[ . 1]" 1
438 1 25 LEU MD1 1 53 ILE MG 2.500 . 6.200 2.617 2.053 4.637 . 0 0 "[ . 1]" 1
439 1 25 LEU H 1 25 LEU MD2 3.400 . 5.700 3.371 1.805 4.498 . 0 0 "[ . 1]" 1
440 1 25 LEU MD2 1 26 LYS H 4.000 . 7.000 4.006 3.425 4.862 . 0 0 "[ . 1]" 1
441 1 25 LEU MD2 1 39 ALA HA 5.000 . 8.000 6.168 5.191 6.991 . 0 0 "[ . 1]" 1
442 1 25 LEU MD2 1 39 ALA MB 4.000 . 8.500 3.565 2.622 4.389 . 0 0 "[ . 1]" 1
443 1 25 LEU MD2 1 40 GLU H 4.000 . 7.000 5.443 4.676 6.703 . 0 0 "[ . 1]" 1
444 1 25 LEU MD2 1 41 LEU MD1 2.500 . 6.200 3.208 1.954 4.885 . 0 0 "[ . 1]" 1
445 1 25 LEU MD2 1 41 LEU MD2 2.500 . 6.200 3.998 2.517 5.887 . 0 0 "[ . 1]" 1
446 1 25 LEU H 1 25 LEU HG 4.000 . 5.500 2.770 1.847 4.177 . 0 0 "[ . 1]" 1
447 1 25 LEU H 1 41 LEU MD1 4.000 . 7.000 5.361 4.471 6.063 . 0 0 "[ . 1]" 1
448 1 26 LYS HA 1 26 LYS QG 3.400 . 5.200 2.426 2.220 2.670 . 0 0 "[ . 1]" 1
449 1 26 LYS HA 1 27 ILE H 2.500 . 3.200 2.257 2.237 2.286 . 0 0 "[ . 1]" 1
450 1 26 LYS HA 1 40 GLU H 4.000 . 5.500 4.074 3.946 4.232 . 0 0 "[ . 1]" 1
451 1 26 LYS QB 1 26 LYS QE 4.000 . 7.500 3.340 2.970 3.629 . 0 0 "[ . 1]" 1
452 1 26 LYS QB 1 27 ILE H 3.400 . 5.200 3.716 3.352 3.953 . 0 0 "[ . 1]" 1
453 1 26 LYS H 1 26 LYS QD 3.400 . 5.200 3.896 2.378 4.618 . 0 0 "[ . 1]" 1
454 1 26 LYS QD 1 40 GLU H 5.000 . 7.500 4.546 4.129 4.882 . 0 0 "[ . 1]" 1
455 1 26 LYS H 1 26 LYS QE 5.000 . 7.500 4.724 3.714 5.785 . 0 0 "[ . 1]" 1
456 1 26 LYS H 1 26 LYS QG 4.000 . 6.500 3.219 2.489 4.022 . 0 0 "[ . 1]" 1
457 1 26 LYS QG 1 27 ILE H 3.400 . 5.200 4.214 3.392 4.688 . 0 0 "[ . 1]" 1
458 1 26 LYS H 1 39 ALA HA 4.000 . 5.500 4.705 4.321 4.905 . 0 0 "[ . 1]" 1
459 1 26 LYS H 1 39 ALA MB 4.000 . 7.000 2.977 2.591 3.181 . 0 0 "[ . 1]" 1
460 1 26 LYS H 1 40 GLU H 3.400 . 4.200 2.879 2.591 3.235 . 0 0 "[ . 1]" 1
461 1 26 LYS H 1 41 LEU MD1 4.000 . 7.000 3.959 2.848 5.052 . 0 0 "[ . 1]" 1
462 1 26 LYS H 1 42 ASP H 5.000 . 6.500 6.340 6.036 6.488 . 0 0 "[ . 1]" 1
463 1 27 ILE HA 1 27 ILE MD 3.400 . 5.700 2.764 1.905 4.171 . 0 0 "[ . 1]" 1
464 1 27 ILE HA 1 27 ILE MG 2.500 . 4.700 2.532 2.092 3.179 . 0 0 "[ . 1]" 1
465 1 27 ILE HA 1 28 LEU H 3.400 . 4.200 2.225 2.178 2.305 . 0 0 "[ . 1]" 1
466 1 27 ILE HA 1 29 ASN H 4.000 . 5.500 3.942 3.791 4.285 . 0 0 "[ . 1]" 1
467 1 27 ILE HA 1 39 ALA HA 3.400 . 4.200 2.649 2.504 2.874 . 0 0 "[ . 1]" 1
468 1 27 ILE HA 1 39 ALA MB 3.400 . 5.700 2.714 2.459 3.024 . 0 0 "[ . 1]" 1
469 1 27 ILE HA 1 40 GLU H 4.000 . 5.500 4.082 3.935 4.497 . 0 0 "[ . 1]" 1
470 1 27 ILE HB 1 27 ILE MD 2.500 . 4.700 2.800 2.217 3.229 . 0 0 "[ . 1]" 1
471 1 27 ILE H 1 27 ILE HB 3.400 . 4.200 2.684 2.166 3.731 . 0 0 "[ . 1]" 1
472 1 27 ILE HB 1 28 LEU H 4.000 . 5.500 4.018 3.113 4.504 . 0 0 "[ . 1]" 1
473 1 27 ILE H 1 27 ILE MD 3.400 . 5.700 3.524 1.948 4.379 . 0 0 "[ . 1]" 1
474 1 27 ILE MD 1 28 LEU H 3.400 . 5.700 3.927 2.524 4.985 . 0 0 "[ . 1]" 1
475 1 27 ILE MD 1 29 ASN H 5.000 . 8.000 4.834 2.984 5.894 . 0 0 "[ . 1]" 1
476 1 27 ILE MD 1 39 ALA HA 4.000 . 7.000 4.439 3.347 6.368 . 0 0 "[ . 1]" 1
477 1 27 ILE QG 1 27 ILE MG 2.500 . 5.700 2.263 1.972 2.429 . 0 0 "[ . 1]" 1
478 1 27 ILE H 1 27 ILE QG 3.400 . 5.200 2.661 1.839 4.066 . 0 0 "[ . 1]" 1
479 1 27 ILE H 1 27 ILE MG 3.400 . 5.700 3.380 2.543 3.812 . 0 0 "[ . 1]" 1
480 1 27 ILE MG 1 28 LEU H 3.400 . 5.700 2.904 2.183 3.866 . 0 0 "[ . 1]" 1
481 1 27 ILE MG 1 29 ASN H 3.400 . 5.700 3.779 2.895 5.198 . 0 0 "[ . 1]" 1
482 1 27 ILE MG 1 37 TYR HA 4.000 . 7.000 5.488 4.394 7.043 0.043 6 0 "[ . 1]" 1
483 1 27 ILE MG 1 37 TYR HB2 3.400 . 5.700 4.602 3.860 5.831 0.131 6 0 "[ . 1]" 1
484 1 27 ILE MG 1 39 ALA HA 4.000 . 7.000 4.467 3.930 5.124 . 0 0 "[ . 1]" 1
485 1 27 ILE MG 1 40 GLU H 5.000 . 8.000 5.728 4.864 6.220 . 0 0 "[ . 1]" 1
486 1 27 ILE H 1 39 ALA HA 5.000 . 6.500 4.700 4.628 4.784 . 0 0 "[ . 1]" 1
487 1 28 LEU HA 1 28 LEU MD2 2.500 . 4.700 3.470 2.430 4.009 . 0 0 "[ . 1]" 1
488 1 28 LEU HA 1 29 ASN H 3.400 . 4.200 3.518 3.489 3.610 . 0 0 "[ . 1]" 1
489 1 28 LEU HA 1 39 ALA HA 5.000 . 6.500 5.427 5.172 5.781 . 0 0 "[ . 1]" 1
490 1 28 LEU HB2 1 29 ASN H 3.400 . 4.200 3.730 3.018 4.216 0.016 4 0 "[ . 1]" 1
491 1 28 LEU HB3 1 39 ALA HA 5.000 . 6.500 4.870 4.248 5.913 . 0 0 "[ . 1]" 1
492 1 28 LEU HB2 1 39 ALA HA 5.000 . 6.500 4.913 3.490 5.817 . 0 0 "[ . 1]" 1
493 1 28 LEU HG 1 39 ALA HA 3.400 . 4.200 3.464 2.226 4.225 0.025 3 0 "[ . 1]" 1
494 1 28 LEU HB3 1 40 GLU H 5.000 . 6.500 5.516 4.783 6.491 . 0 0 "[ . 1]" 1
495 1 28 LEU H 1 28 LEU MD1 4.000 . 7.000 3.674 2.962 4.235 . 0 0 "[ . 1]" 1
496 1 28 LEU MD1 1 29 ASN H 4.000 . 7.000 3.776 2.693 4.758 . 0 0 "[ . 1]" 1
497 1 28 LEU MD1 1 39 ALA HA 3.400 . 5.700 3.714 2.183 4.637 . 0 0 "[ . 1]" 1
498 1 28 LEU MD1 1 39 ALA H 5.000 . 8.000 5.054 4.125 5.675 . 0 0 "[ . 1]" 1
499 1 28 LEU MD1 1 40 GLU H 3.400 . 5.700 4.169 2.289 5.706 0.006 9 0 "[ . 1]" 1
500 1 28 LEU HG 1 29 ASN H 4.000 . 5.500 3.414 2.484 4.793 . 0 0 "[ . 1]" 1
501 1 28 LEU H 1 29 ASN HA 5.000 . 6.500 4.522 4.440 4.666 . 0 0 "[ . 1]" 1
502 1 28 LEU H 1 29 ASN QB 5.000 . 7.500 4.288 4.137 4.749 . 0 0 "[ . 1]" 1
503 1 28 LEU H 1 29 ASN H 3.400 . 4.200 1.901 1.804 2.118 . 0 0 "[ . 1]" 1
504 1 28 LEU H 1 38 ARG H 5.000 . 6.500 4.278 3.916 4.532 . 0 0 "[ . 1]" 1
505 1 28 LEU H 1 39 ALA HA 3.400 . 4.200 3.007 2.715 3.478 . 0 0 "[ . 1]" 1
506 1 28 LEU H 1 40 GLU H 4.000 . 5.500 4.926 4.678 5.491 . 0 0 "[ . 1]" 1
507 1 29 ASN HA 1 29 ASN HD22 5.000 . 6.500 4.556 4.093 4.996 . 0 0 "[ . 1]" 1
508 1 29 ASN HA 1 30 MET H 2.500 . 3.200 1.924 1.891 2.016 . 0 0 "[ . 1]" 1
509 1 29 ASN HA 1 31 GLU H 4.000 . 5.500 5.695 5.614 5.738 0.238 2 0 "[ . 1]" 1
510 1 29 ASN QB 1 29 ASN HD22 3.400 . 5.200 3.308 3.211 3.369 . 0 0 "[ . 1]" 1
511 1 29 ASN QB 1 30 MET H 3.400 . 5.200 3.643 3.089 3.783 . 0 0 "[ . 1]" 1
512 1 29 ASN QB 1 31 GLU H 4.000 . 6.500 5.883 5.032 6.260 . 0 0 "[ . 1]" 1
513 1 29 ASN QB 1 38 ARG H 3.400 . 5.200 3.972 3.465 5.202 0.002 9 0 "[ . 1]" 1
514 1 29 ASN QB 1 47 LEU MD2 5.000 . 9.000 6.450 5.140 8.404 . 0 0 "[ . 1]" 1
515 1 29 ASN HD21 1 30 MET H 5.000 . 6.500 4.124 3.133 5.276 . 0 0 "[ . 1]" 1
516 1 29 ASN HD21 1 38 ARG QB 5.000 . 7.500 2.557 1.804 4.162 . 0 0 "[ . 1]" 1
517 1 29 ASN HD22 1 30 MET H 5.000 . 6.500 4.841 4.365 5.386 . 0 0 "[ . 1]" 1
518 1 29 ASN HD22 1 31 GLU HA 5.000 . 6.500 6.457 6.018 6.546 0.046 4 0 "[ . 1]" 1
519 1 29 ASN HD22 1 31 GLU HB3 5.000 . 7.500 5.652 4.354 6.261 . 0 0 "[ . 1]" 1
520 1 29 ASN HD22 1 38 ARG QB 5.000 . 7.500 3.326 2.252 4.196 . 0 0 "[ . 1]" 1
521 1 29 ASN HD22 1 38 ARG QD 5.000 . 8.500 3.478 2.402 4.919 . 0 0 "[ . 1]" 1
522 1 29 ASN HD22 1 45 GLU QG 4.000 . 6.500 6.540 6.236 6.649 0.149 2 0 "[ . 1]" 1
523 1 29 ASN H 1 38 ARG QB 3.400 . 5.200 3.028 2.921 3.163 . 0 0 "[ . 1]" 1
524 1 29 ASN H 1 38 ARG H 3.400 . 4.200 3.287 3.054 3.592 . 0 0 "[ . 1]" 1
525 1 29 ASN H 1 39 ALA HA 4.000 . 5.500 4.206 3.836 4.915 . 0 0 "[ . 1]" 1
526 1 30 MET HA 1 31 GLU H 3.400 . 4.200 2.120 1.950 2.189 . 0 0 "[ . 1]" 1
527 1 30 MET HA 1 37 TYR HA 3.400 . 4.200 3.485 3.000 4.068 . 0 0 "[ . 1]" 1
528 1 30 MET HA 1 37 TYR QD 3.400 . 6.200 3.407 2.386 4.021 . 0 0 "[ . 1]" 1
529 1 30 MET QB 1 31 GLU H 4.000 . 6.500 3.167 3.038 3.714 . 0 0 "[ . 1]" 1
530 1 30 MET H 1 30 MET ME 4.000 . 7.000 4.001 3.603 4.480 . 0 0 "[ . 1]" 1
531 1 30 MET H 1 30 MET QG 3.400 . 5.200 2.541 1.793 4.102 0.007 8 0 "[ . 1]" 1
532 1 30 MET QG 1 31 GLU H 4.000 . 6.500 4.009 2.482 4.512 . 0 0 "[ . 1]" 1
533 1 30 MET QG 1 34 SER HA 5.000 . 7.500 5.798 3.550 6.832 . 0 0 "[ . 1]" 1
534 1 30 MET QG 1 37 TYR QE 5.000 . 9.500 3.612 2.108 5.025 . 0 0 "[ . 1]" 1
535 1 30 MET H 1 31 GLU H 3.400 . 4.200 4.228 4.186 4.254 0.054 2 0 "[ . 1]" 1
536 1 30 MET H 1 32 ASP H 5.000 . 6.500 5.547 5.298 5.926 . 0 0 "[ . 1]" 1
537 1 30 MET H 1 33 ASP H 5.000 . 6.500 6.609 6.457 6.851 0.351 7 0 "[ . 1]" 1
538 1 31 GLU HA 1 31 GLU QG 2.500 . 4.200 2.758 2.007 3.365 . 0 0 "[ . 1]" 1
539 1 31 GLU HA 1 32 ASP H 3.400 . 4.200 3.469 3.335 3.521 . 0 0 "[ . 1]" 1
540 1 31 GLU H 1 31 GLU HB3 3.400 . 4.200 3.807 3.686 4.094 . 0 0 "[ . 1]" 1
541 1 31 GLU HB3 1 32 ASP H 3.400 . 4.200 3.499 2.761 4.184 . 0 0 "[ . 1]" 1
542 1 31 GLU HB3 1 33 ASP H 5.000 . 6.500 5.153 4.585 6.020 . 0 0 "[ . 1]" 1
543 1 31 GLU HB2 1 33 ASP H 4.000 . 5.500 5.080 4.663 5.416 . 0 0 "[ . 1]" 1
544 1 31 GLU H 1 31 GLU QG 3.400 . 5.200 3.576 2.403 4.394 . 0 0 "[ . 1]" 1
545 1 31 GLU QG 1 33 ASP H 5.000 . 7.500 4.748 4.068 6.079 . 0 0 "[ . 1]" 1
546 1 31 GLU H 1 32 ASP H 3.400 . 4.200 2.427 1.870 2.763 . 0 0 "[ . 1]" 1
547 1 31 GLU H 1 37 TYR HA 4.000 . 5.500 4.827 4.473 5.428 . 0 0 "[ . 1]" 1
548 1 32 ASP HA 1 33 ASP H 3.400 . 4.200 3.396 3.287 3.669 . 0 0 "[ . 1]" 1
549 1 32 ASP H 1 35 ASN H 5.000 . 6.500 6.739 6.572 6.810 0.310 10 0 "[ . 1]" 1
550 1 33 ASP HA 1 34 SER HB2 5.000 . 6.500 4.915 4.350 5.816 . 0 0 "[ . 1]" 1
551 1 33 ASP HA 1 34 SER H 3.400 . 4.200 2.302 2.123 2.382 . 0 0 "[ . 1]" 1
552 1 33 ASP QB 1 35 ASN H 5.000 . 7.500 2.714 2.369 2.943 . 0 0 "[ . 1]" 1
553 1 33 ASP H 1 34 SER H 3.400 . 4.200 3.752 3.473 4.264 0.064 7 0 "[ . 1]" 1
554 1 34 SER HA 1 34 SER HB2 2.500 . 3.200 2.726 2.418 3.013 . 0 0 "[ . 1]" 1
555 1 34 SER HA 1 35 ASN H 3.400 . 4.200 3.091 3.043 3.131 . 0 0 "[ . 1]" 1
556 1 34 SER HA 1 37 TYR QE 3.400 . 6.200 3.425 2.798 4.596 . 0 0 "[ . 1]" 1
557 1 34 SER QB 1 37 TYR QE 5.000 . 9.500 4.993 4.552 5.701 . 0 0 "[ . 1]" 1
558 1 34 SER H 1 34 SER HB3 3.400 . 4.200 3.043 2.492 3.560 . 0 0 "[ . 1]" 1
559 1 34 SER QB 1 36 TRP H 4.000 . 6.500 5.448 5.312 5.701 . 0 0 "[ . 1]" 1
560 1 34 SER HB2 1 35 ASN H 4.000 . 5.500 4.356 4.048 4.591 . 0 0 "[ . 1]" 1
561 1 34 SER H 1 35 ASN H 3.400 . 4.200 3.204 3.108 3.375 . 0 0 "[ . 1]" 1
562 1 35 ASN HA 1 35 ASN HB3 2.500 . 3.200 2.861 2.722 2.963 . 0 0 "[ . 1]" 1
563 1 35 ASN HA 1 35 ASN HD22 5.000 . 6.500 3.761 3.233 4.378 . 0 0 "[ . 1]" 1
564 1 35 ASN HA 1 36 TRP H 3.400 . 4.200 3.488 3.475 3.501 . 0 0 "[ . 1]" 1
565 1 35 ASN HA 1 50 SER QB 5.000 . 7.500 2.441 2.108 2.648 . 0 0 "[ . 1]" 1
566 1 35 ASN HA 1 50 SER H 4.000 . 5.500 4.239 3.985 4.472 . 0 0 "[ . 1]" 1
567 1 35 ASN HB3 1 35 ASN HD21 3.400 . 5.200 2.957 2.144 3.562 . 0 0 "[ . 1]" 1
568 1 35 ASN HB3 1 35 ASN HD22 4.000 . 6.500 3.810 3.445 4.098 . 0 0 "[ . 1]" 1
569 1 35 ASN H 1 35 ASN HB3 3.400 . 4.200 3.303 3.039 3.561 . 0 0 "[ . 1]" 1
570 1 35 ASN HB3 1 36 TRP HD1 4.000 . 5.500 2.709 2.009 3.565 . 0 0 "[ . 1]" 1
571 1 35 ASN HB3 1 36 TRP HE1 4.000 . 5.500 3.241 2.688 3.773 . 0 0 "[ . 1]" 1
572 1 35 ASN HB2 1 35 ASN HD21 3.400 . 5.200 2.796 2.141 3.550 . 0 0 "[ . 1]" 1
573 1 35 ASN HB2 1 35 ASN HD22 3.400 . 5.200 3.732 3.439 4.094 . 0 0 "[ . 1]" 1
574 1 35 ASN H 1 35 ASN HB2 3.400 . 4.200 2.691 2.565 2.842 . 0 0 "[ . 1]" 1
575 1 35 ASN HB2 1 36 TRP HD1 4.000 . 5.500 3.619 2.935 4.087 . 0 0 "[ . 1]" 1
576 1 35 ASN HB2 1 36 TRP HE1 4.000 . 5.500 4.506 3.759 5.219 . 0 0 "[ . 1]" 1
577 1 35 ASN H 1 35 ASN HD21 4.000 . 5.500 4.537 3.549 5.274 . 0 0 "[ . 1]" 1
578 1 35 ASN H 1 35 ASN HD22 5.000 . 6.500 5.747 5.161 6.185 . 0 0 "[ . 1]" 1
579 1 35 ASN H 1 36 TRP HD1 4.000 . 5.500 4.114 3.534 4.640 . 0 0 "[ . 1]" 1
580 1 35 ASN H 1 36 TRP HE1 5.000 . 6.500 6.051 5.592 6.538 0.038 9 0 "[ . 1]" 1
581 1 35 ASN H 1 36 TRP H 3.400 . 4.200 1.792 1.717 1.841 0.083 5 0 "[ . 1]" 1
582 1 36 TRP HA 1 36 TRP HD1 4.000 . 5.500 4.263 3.922 4.474 . 0 0 "[ . 1]" 1
583 1 36 TRP HA 1 36 TRP HE3 4.000 . 5.500 3.021 2.572 3.629 . 0 0 "[ . 1]" 1
584 1 36 TRP HA 1 37 TYR H 4.000 . 5.500 2.146 2.088 2.181 . 0 0 "[ . 1]" 1
585 1 36 TRP HA 1 49 PRO HA 3.400 . 4.200 3.574 3.203 3.862 . 0 0 "[ . 1]" 1
586 1 36 TRP HA 1 49 PRO HB3 5.000 . 6.500 5.814 5.441 6.133 . 0 0 "[ . 1]" 1
587 1 36 TRP HA 1 49 PRO HB2 5.000 . 6.500 6.091 5.802 6.338 . 0 0 "[ . 1]" 1
588 1 36 TRP HA 1 50 SER HA 5.000 . 6.500 4.555 4.249 4.900 . 0 0 "[ . 1]" 1
589 1 36 TRP HA 1 50 SER H 3.400 . 4.200 3.352 2.676 3.620 . 0 0 "[ . 1]" 1
590 1 36 TRP HB3 1 36 TRP HE1 5.000 . 6.500 5.238 5.196 5.277 . 0 0 "[ . 1]" 1
591 1 36 TRP HB3 1 36 TRP HE3 4.000 . 5.500 2.652 2.476 2.801 . 0 0 "[ . 1]" 1
592 1 36 TRP HB3 1 36 TRP HZ3 5.000 . 6.500 5.036 4.900 5.155 . 0 0 "[ . 1]" 1
593 1 36 TRP HB3 1 37 TYR H 3.400 . 4.200 3.572 3.518 3.654 . 0 0 "[ . 1]" 1
594 1 36 TRP HB3 1 47 LEU QB 4.000 . 6.500 2.786 2.313 4.110 . 0 0 "[ . 1]" 1
595 1 36 TRP HB3 1 47 LEU MD1 4.000 . 7.000 3.830 2.822 4.554 . 0 0 "[ . 1]" 1
596 1 36 TRP HB3 1 47 LEU MD2 3.400 . 5.700 2.772 1.817 4.760 . 0 0 "[ . 1]" 1
597 1 36 TRP HB3 1 48 ILE H 5.000 . 6.500 3.385 3.099 3.968 . 0 0 "[ . 1]" 1
598 1 36 TRP HB3 1 49 PRO HA 5.000 . 6.500 4.746 4.040 5.328 . 0 0 "[ . 1]" 1
599 1 36 TRP HB2 1 36 TRP HE3 4.000 . 5.500 4.145 4.016 4.198 . 0 0 "[ . 1]" 1
600 1 36 TRP H 1 36 TRP HB2 3.400 . 4.200 2.685 2.599 2.792 . 0 0 "[ . 1]" 1
601 1 36 TRP HB2 1 47 LEU QB 4.000 . 6.500 3.995 3.382 5.405 . 0 0 "[ . 1]" 1
602 1 36 TRP HB2 1 47 LEU MD1 4.000 . 7.000 4.090 2.911 5.326 . 0 0 "[ . 1]" 1
603 1 36 TRP HB2 1 47 LEU MD2 3.400 . 5.700 3.079 1.944 5.158 . 0 0 "[ . 1]" 1
604 1 36 TRP HB2 1 48 ILE H 5.000 . 6.500 4.870 4.457 5.571 . 0 0 "[ . 1]" 1
605 1 36 TRP H 1 36 TRP HD1 3.400 . 4.200 3.160 2.618 3.589 . 0 0 "[ . 1]" 1
606 1 36 TRP H 1 36 TRP HE1 5.000 . 6.500 5.279 4.923 5.661 . 0 0 "[ . 1]" 1
607 1 36 TRP HE3 1 37 TYR H 5.000 . 6.500 4.181 3.547 4.772 . 0 0 "[ . 1]" 1
608 1 36 TRP HE3 1 47 LEU HA 5.000 . 6.500 5.187 4.857 5.591 . 0 0 "[ . 1]" 1
609 1 36 TRP HE3 1 47 LEU QB 4.000 . 6.500 3.602 3.138 4.424 . 0 0 "[ . 1]" 1
610 1 36 TRP HE3 1 47 LEU MD1 4.000 . 7.000 5.272 4.693 6.027 . 0 0 "[ . 1]" 1
611 1 36 TRP HE3 1 47 LEU MD2 5.000 . 8.000 4.375 2.607 6.199 . 0 0 "[ . 1]" 1
612 1 36 TRP HE3 1 48 ILE HA 3.400 . 4.200 3.338 3.123 3.709 . 0 0 "[ . 1]" 1
613 1 36 TRP HE3 1 48 ILE H 4.000 . 5.500 3.507 3.060 3.997 . 0 0 "[ . 1]" 1
614 1 36 TRP HE3 1 49 PRO HA 5.000 . 6.500 2.708 2.267 3.105 . 0 0 "[ . 1]" 1
615 1 36 TRP HE3 1 49 PRO QD 5.000 . 7.500 2.958 1.943 4.101 . 0 0 "[ . 1]" 1
616 1 36 TRP HH2 1 49 PRO HB2 5.000 . 6.500 4.953 4.679 5.337 . 0 0 "[ . 1]" 1
617 1 36 TRP HH2 1 49 PRO QD 5.000 . 7.500 4.061 3.812 4.533 . 0 0 "[ . 1]" 1
618 1 36 TRP HH2 1 49 PRO QG 4.000 . 6.500 4.109 3.004 4.820 . 0 0 "[ . 1]" 1
619 1 36 TRP HH2 1 52 TYR QD 4.000 . 7.500 6.277 5.824 6.926 . 0 0 "[ . 1]" 1
620 1 36 TRP H 1 49 PRO HA 5.000 . 6.500 6.021 5.642 6.495 . 0 0 "[ . 1]" 1
621 1 36 TRP HZ2 1 49 PRO HB3 5.000 . 6.500 4.985 4.849 5.272 . 0 0 "[ . 1]" 1
622 1 36 TRP HZ2 1 49 PRO HB2 5.000 . 6.500 6.533 6.439 6.591 0.091 1 0 "[ . 1]" 1
623 1 36 TRP HZ3 1 47 LEU QB 5.000 . 7.500 5.273 4.925 5.643 . 0 0 "[ . 1]" 1
624 1 36 TRP HZ3 1 48 ILE HA 4.000 . 5.500 3.842 2.928 4.552 . 0 0 "[ . 1]" 1
625 1 36 TRP HZ3 1 48 ILE HB 5.000 . 6.500 5.405 4.544 6.398 . 0 0 "[ . 1]" 1
626 1 36 TRP HZ3 1 49 PRO QD 4.000 . 6.500 1.976 1.745 2.734 0.055 1 0 "[ . 1]" 1
627 1 36 TRP HZ3 1 49 PRO QG 5.000 . 7.500 2.879 1.827 3.791 . 0 0 "[ . 1]" 1
628 1 37 TYR HA 1 37 TYR QD 2.500 . 5.200 2.129 1.786 3.013 0.014 7 0 "[ . 1]" 1
629 1 37 TYR HA 1 37 TYR QE 4.000 . 7.500 4.331 4.157 4.689 . 0 0 "[ . 1]" 1
630 1 37 TYR HA 1 38 ARG H 3.400 . 4.200 2.270 2.242 2.297 . 0 0 "[ . 1]" 1
631 1 37 TYR HB2 1 38 ARG H 3.400 . 4.200 3.899 3.704 4.089 . 0 0 "[ . 1]" 1
632 1 37 TYR HB3 1 48 ILE MD 4.000 . 7.000 3.361 2.622 3.857 . 0 0 "[ . 1]" 1
633 1 37 TYR HB3 1 48 ILE QG 5.000 . 7.500 3.892 3.386 4.689 . 0 0 "[ . 1]" 1
634 1 37 TYR HB3 1 48 ILE H 5.000 . 6.500 4.916 4.690 5.137 . 0 0 "[ . 1]" 1
635 1 37 TYR H 1 37 TYR HB3 3.400 . 4.200 3.592 3.497 3.689 . 0 0 "[ . 1]" 1
636 1 37 TYR HB2 1 39 ALA MB 5.000 . 8.000 4.000 3.613 4.335 . 0 0 "[ . 1]" 1
637 1 37 TYR HB2 1 48 ILE MD 4.000 . 7.000 2.364 1.810 3.128 . 0 0 "[ . 1]" 1
638 1 37 TYR HB2 1 48 ILE QG 4.000 . 6.500 2.844 2.122 3.799 . 0 0 "[ . 1]" 1
639 1 37 TYR HB2 1 48 ILE H 5.000 . 6.500 3.979 3.689 4.476 . 0 0 "[ . 1]" 1
640 1 37 TYR H 1 37 TYR QD 4.000 . 7.500 3.123 2.089 3.700 . 0 0 "[ . 1]" 1
641 1 37 TYR QD 1 38 ARG H 5.000 . 8.500 3.815 2.954 4.212 . 0 0 "[ . 1]" 1
642 1 37 TYR QD 1 47 LEU MD2 3.400 . 7.700 5.795 4.523 7.330 . 0 0 "[ . 1]" 1
643 1 37 TYR QD 1 48 ILE QG 5.000 . 9.500 4.404 3.356 5.307 . 0 0 "[ . 1]" 1
644 1 37 TYR QD 1 53 ILE MD 3.400 . 7.700 3.095 2.337 3.973 . 0 0 "[ . 1]" 1
645 1 37 TYR QD 1 53 ILE MG 4.000 . 9.000 4.505 2.587 5.519 . 0 0 "[ . 1]" 1
646 1 37 TYR H 1 37 TYR QE 5.000 . 8.500 4.944 4.432 5.390 . 0 0 "[ . 1]" 1
647 1 37 TYR QE 1 38 ARG H 5.000 . 8.500 5.788 5.202 6.242 . 0 0 "[ . 1]" 1
648 1 37 TYR QE 1 48 ILE MD 3.400 . 7.700 5.183 4.357 5.906 . 0 0 "[ . 1]" 1
649 1 37 TYR QE 1 48 ILE QG 4.000 . 8.500 6.211 5.358 7.138 . 0 0 "[ . 1]" 1
650 1 37 TYR QE 1 50 SER HA 3.400 . 6.200 4.461 3.526 5.527 . 0 0 "[ . 1]" 1
651 1 37 TYR QE 1 50 SER QB 4.000 . 8.500 3.887 2.816 4.671 . 0 0 "[ . 1]" 1
652 1 37 TYR QE 1 53 ILE MD 2.500 . 6.700 3.656 2.500 5.186 . 0 0 "[ . 1]" 1
653 1 37 TYR QE 1 53 ILE QG 4.000 . 8.500 4.786 4.100 5.665 . 0 0 "[ . 1]" 1
654 1 37 TYR QE 1 53 ILE MG 4.000 . 9.000 5.457 3.398 6.411 . 0 0 "[ . 1]" 1
655 1 37 TYR QE 1 55 MET HA 3.400 . 6.200 5.889 5.230 6.226 0.026 4 0 "[ . 1]" 1
656 1 37 TYR H 1 48 ILE MD 4.000 . 7.000 3.196 2.430 4.156 . 0 0 "[ . 1]" 1
657 1 37 TYR H 1 48 ILE QG 3.400 . 5.200 3.108 2.617 3.986 . 0 0 "[ . 1]" 1
658 1 37 TYR H 1 48 ILE H 3.400 . 4.200 2.814 2.594 3.183 . 0 0 "[ . 1]" 1
659 1 37 TYR H 1 49 PRO HA 4.000 . 5.500 4.754 4.578 5.020 . 0 0 "[ . 1]" 1
660 1 37 TYR H 1 50 SER H 5.000 . 6.500 4.435 3.676 4.990 . 0 0 "[ . 1]" 1
661 1 38 ARG HA 1 38 ARG QG 3.400 . 5.200 2.262 2.067 2.519 . 0 0 "[ . 1]" 1
662 1 38 ARG HA 1 39 ALA H 2.500 . 3.200 2.135 2.116 2.158 . 0 0 "[ . 1]" 1
663 1 38 ARG HA 1 46 GLY H 5.000 . 6.500 4.212 3.681 4.567 . 0 0 "[ . 1]" 1
664 1 38 ARG HA 1 47 LEU HA 2.500 . 3.200 2.468 2.202 2.861 . 0 0 "[ . 1]" 1
665 1 38 ARG HA 1 47 LEU MD2 3.400 . 5.700 4.174 2.770 5.396 . 0 0 "[ . 1]" 1
666 1 38 ARG HA 1 48 ILE H 4.000 . 5.500 4.033 3.684 4.268 . 0 0 "[ . 1]" 1
667 1 38 ARG QB 1 38 ARG HE 4.000 . 6.500 3.494 2.002 4.181 . 0 0 "[ . 1]" 1
668 1 38 ARG QB 1 39 ALA H 3.400 . 5.200 3.780 3.566 3.905 . 0 0 "[ . 1]" 1
669 1 38 ARG H 1 38 ARG QD 3.400 . 5.200 4.363 3.914 4.724 . 0 0 "[ . 1]" 1
670 1 38 ARG QD 1 39 ALA H 4.000 . 6.500 4.949 3.753 5.662 . 0 0 "[ . 1]" 1
671 1 38 ARG QD 1 47 LEU MD2 2.500 . 5.700 3.878 1.850 5.489 . 0 0 "[ . 1]" 1
672 1 38 ARG QD 1 48 ILE H 5.000 . 7.500 6.237 5.015 7.415 . 0 0 "[ . 1]" 1
673 1 38 ARG HE 1 39 ALA H 5.000 . 6.500 6.281 5.126 6.554 0.054 7 0 "[ . 1]" 1
674 1 38 ARG HE 1 47 LEU MD2 4.000 . 7.000 4.135 1.883 6.391 . 0 0 "[ . 1]" 1
675 1 38 ARG QG 1 39 ALA H 3.400 . 5.200 3.682 3.002 4.430 . 0 0 "[ . 1]" 1
676 1 39 ALA HA 1 40 GLU H 2.500 . 3.200 2.438 2.234 2.503 . 0 0 "[ . 1]" 1
677 1 39 ALA MB 1 40 GLU H 3.400 . 5.700 2.304 2.224 2.533 . 0 0 "[ . 1]" 1
678 1 39 ALA MB 1 45 GLU HA 5.000 . 8.000 5.063 4.878 5.266 . 0 0 "[ . 1]" 1
679 1 39 ALA MB 1 46 GLY H 4.000 . 7.000 4.133 3.849 4.600 . 0 0 "[ . 1]" 1
680 1 39 ALA MB 1 48 ILE QG 2.500 . 5.700 2.412 1.887 3.306 . 0 0 "[ . 1]" 1
681 1 39 ALA MB 1 48 ILE H 4.000 . 7.000 4.670 4.462 5.118 . 0 0 "[ . 1]" 1
682 1 39 ALA H 1 45 GLU HA 5.000 . 6.500 4.826 4.576 5.229 . 0 0 "[ . 1]" 1
683 1 39 ALA H 1 45 GLU QG 5.000 . 7.500 4.180 3.963 4.720 . 0 0 "[ . 1]" 1
684 1 39 ALA H 1 46 GLY QA 4.000 . 6.500 4.231 4.058 4.391 . 0 0 "[ . 1]" 1
685 1 39 ALA H 1 46 GLY H 3.400 . 4.200 3.284 3.006 3.519 . 0 0 "[ . 1]" 1
686 1 39 ALA H 1 47 LEU MD2 4.000 . 7.000 5.595 4.440 6.697 . 0 0 "[ . 1]" 1
687 1 39 ALA H 1 48 ILE MD 4.000 . 7.000 3.899 2.029 5.003 . 0 0 "[ . 1]" 1
688 1 39 ALA H 1 48 ILE MG 5.000 . 8.000 3.672 3.231 4.618 . 0 0 "[ . 1]" 1
689 1 40 GLU HA 1 41 LEU H 2.500 . 3.200 2.252 2.202 2.303 . 0 0 "[ . 1]" 1
690 1 40 GLU HA 1 42 ASP H 5.000 . 6.500 6.055 5.705 6.161 . 0 0 "[ . 1]" 1
691 1 40 GLU HA 1 43 GLY H 5.000 . 6.500 5.678 4.946 6.364 . 0 0 "[ . 1]" 1
692 1 40 GLU HA 1 44 LYS H 5.000 . 6.500 4.311 3.821 4.912 . 0 0 "[ . 1]" 1
693 1 40 GLU HA 1 45 GLU HA 2.500 . 3.200 2.550 2.357 2.855 . 0 0 "[ . 1]" 1
694 1 40 GLU HA 1 45 GLU H 5.000 . 6.500 4.851 4.682 5.135 . 0 0 "[ . 1]" 1
695 1 40 GLU HA 1 46 GLY H 3.400 . 4.200 3.492 3.174 3.937 . 0 0 "[ . 1]" 1
696 1 40 GLU QB 1 41 LEU H 3.400 . 5.200 3.204 2.843 3.500 . 0 0 "[ . 1]" 1
697 1 40 GLU QB 1 43 GLY H 5.000 . 7.500 5.551 4.055 6.548 . 0 0 "[ . 1]" 1
698 1 40 GLU H 1 40 GLU QG 4.000 . 6.500 3.867 2.944 4.164 . 0 0 "[ . 1]" 1
699 1 40 GLU QG 1 41 LEU H 3.400 . 5.200 2.567 1.932 3.164 . 0 0 "[ . 1]" 1
700 1 40 GLU QG 1 42 ASP H 5.000 . 7.500 5.256 4.270 6.370 . 0 0 "[ . 1]" 1
701 1 40 GLU QG 1 43 GLY QA 4.000 . 7.500 4.223 3.107 4.921 . 0 0 "[ . 1]" 1
702 1 40 GLU QG 1 43 GLY H 4.000 . 6.500 4.558 2.780 5.868 . 0 0 "[ . 1]" 1
703 1 40 GLU QG 1 44 LYS H 4.000 . 6.500 3.663 3.007 4.601 . 0 0 "[ . 1]" 1
704 1 40 GLU H 1 45 GLU HA 5.000 . 6.500 4.893 4.758 5.156 . 0 0 "[ . 1]" 1
705 1 41 LEU HA 1 41 LEU MD1 2.500 . 4.700 2.576 1.843 3.516 . 0 0 "[ . 1]" 1
706 1 41 LEU HA 1 41 LEU MD2 3.400 . 5.700 3.809 3.456 3.969 . 0 0 "[ . 1]" 1
707 1 41 LEU HA 1 42 ASP H 2.500 . 3.200 2.148 2.082 2.181 . 0 0 "[ . 1]" 1
708 1 41 LEU HA 1 43 GLY H 5.000 . 6.500 4.351 3.406 4.957 . 0 0 "[ . 1]" 1
709 1 41 LEU HB3 1 41 LEU MD1 2.500 . 4.700 3.066 2.630 3.203 . 0 0 "[ . 1]" 1
710 1 41 LEU HB2 1 42 ASP H 4.000 . 5.500 4.288 4.150 4.531 . 0 0 "[ . 1]" 1
711 1 41 LEU HB2 1 43 GLY H 5.000 . 6.500 5.647 5.195 6.062 . 0 0 "[ . 1]" 1
712 1 41 LEU H 1 41 LEU MD1 4.000 . 7.000 4.484 4.107 4.826 . 0 0 "[ . 1]" 1
713 1 41 LEU MD1 1 42 ASP H 3.400 . 5.700 3.413 2.297 4.332 . 0 0 "[ . 1]" 1
714 1 41 LEU MD1 1 44 LYS H 5.000 . 8.000 5.827 5.259 6.069 . 0 0 "[ . 1]" 1
715 1 41 LEU MD2 1 42 ASP H 5.000 . 8.000 4.262 3.253 4.737 . 0 0 "[ . 1]" 1
716 1 41 LEU MD2 1 44 LYS H 5.000 . 8.000 5.154 4.184 5.963 . 0 0 "[ . 1]" 1
717 1 41 LEU MD2 1 45 GLU HA 4.000 . 7.000 6.959 6.481 7.077 0.077 3 0 "[ . 1]" 1
718 1 41 LEU MD2 1 46 GLY QA 5.000 . 9.000 6.414 5.845 6.911 . 0 0 "[ . 1]" 1
719 1 41 LEU HG 1 42 ASP H 3.400 . 4.200 3.014 2.542 3.570 . 0 0 "[ . 1]" 1
720 1 41 LEU H 1 43 GLY H 3.400 . 4.200 3.649 2.932 4.220 0.020 9 0 "[ . 1]" 1
721 1 41 LEU H 1 44 LYS H 3.400 . 4.200 2.607 2.122 3.100 . 0 0 "[ . 1]" 1
722 1 41 LEU H 1 45 GLU HA 3.400 . 4.200 4.042 3.655 4.239 0.039 10 0 "[ . 1]" 1
723 1 41 LEU H 1 45 GLU H 5.000 . 6.500 5.186 4.987 5.449 . 0 0 "[ . 1]" 1
724 1 42 ASP H 1 42 ASP HA 2.500 . 3.200 2.274 2.268 2.284 . 0 0 "[ . 1]" 1
725 1 42 ASP HA 1 43 GLY H 3.400 . 4.200 3.390 3.065 3.560 . 0 0 "[ . 1]" 1
726 1 42 ASP HA 1 44 LYS H 4.000 . 5.500 5.008 4.650 5.169 . 0 0 "[ . 1]" 1
727 1 42 ASP HB3 1 43 GLY H 5.000 . 6.500 2.901 1.833 4.689 . 0 0 "[ . 1]" 1
728 1 42 ASP HB2 1 43 GLY H 5.000 . 6.500 3.348 2.219 4.346 . 0 0 "[ . 1]" 1
729 1 42 ASP HB3 1 44 LYS H 5.000 . 6.500 4.285 3.297 5.728 . 0 0 "[ . 1]" 1
730 1 42 ASP HB2 1 44 LYS H 5.000 . 6.500 4.507 3.886 5.126 . 0 0 "[ . 1]" 1
731 1 42 ASP H 1 43 GLY QA 5.000 . 7.500 4.844 4.719 4.927 . 0 0 "[ . 1]" 1
732 1 42 ASP H 1 43 GLY H 3.400 . 4.200 3.579 2.896 4.034 . 0 0 "[ . 1]" 1
733 1 42 ASP H 1 44 LYS H 4.000 . 5.500 4.617 4.312 4.830 . 0 0 "[ . 1]" 1
734 1 43 GLY QA 1 45 GLU HA 5.000 . 7.500 6.400 6.133 6.491 . 0 0 "[ . 1]" 1
735 1 43 GLY H 1 44 LYS H 3.400 . 4.200 2.119 1.861 2.266 . 0 0 "[ . 1]" 1
736 1 44 LYS H 1 44 LYS QD 3.400 . 5.200 4.386 3.848 4.731 . 0 0 "[ . 1]" 1
737 1 44 LYS QD 1 45 GLU H 2.500 . 4.200 3.773 2.680 4.177 . 0 0 "[ . 1]" 1
738 1 44 LYS H 1 44 LYS QG 3.400 . 5.200 3.615 2.449 4.225 . 0 0 "[ . 1]" 1
739 1 44 LYS QG 1 45 GLU H 4.000 . 6.500 3.305 2.282 4.674 . 0 0 "[ . 1]" 1
740 1 45 GLU HA 1 46 GLY H 2.500 . 3.200 2.287 2.218 2.519 . 0 0 "[ . 1]" 1
741 1 45 GLU QB 1 46 GLY H 3.400 . 5.200 3.856 3.289 3.992 . 0 0 "[ . 1]" 1
742 1 45 GLU H 1 45 GLU QG 3.400 . 5.200 4.062 4.015 4.087 . 0 0 "[ . 1]" 1
743 1 45 GLU QG 1 46 GLY H 4.000 . 6.500 2.930 2.037 3.396 . 0 0 "[ . 1]" 1
744 1 46 GLY QA 1 47 LEU H 3.400 . 5.200 2.157 2.074 2.253 . 0 0 "[ . 1]" 1
745 1 46 GLY QA 1 47 LEU MD1 5.000 . 9.000 4.216 3.450 4.801 . 0 0 "[ . 1]" 1
746 1 47 LEU HA 1 47 LEU MD2 2.500 . 4.700 3.060 2.241 3.712 . 0 0 "[ . 1]" 1
747 1 47 LEU HA 1 48 ILE H 2.500 . 3.200 2.304 2.275 2.330 . 0 0 "[ . 1]" 1
748 1 47 LEU QB 1 48 ILE H 3.400 . 5.200 2.939 2.719 3.324 . 0 0 "[ . 1]" 1
749 1 47 LEU H 1 47 LEU MD1 3.400 . 5.700 3.182 2.444 3.638 . 0 0 "[ . 1]" 1
750 1 47 LEU MD1 1 48 ILE H 4.000 . 7.000 4.450 2.694 5.018 . 0 0 "[ . 1]" 1
751 1 47 LEU H 1 47 LEU MD2 3.400 . 5.700 3.665 1.799 4.425 0.001 1 0 "[ . 1]" 1
752 1 47 LEU MD2 1 48 ILE H 3.400 . 5.700 3.814 3.148 4.772 . 0 0 "[ . 1]" 1
753 1 48 ILE HA 1 48 ILE MD 4.000 . 7.000 3.801 3.437 4.133 . 0 0 "[ . 1]" 1
754 1 48 ILE HA 1 48 ILE MG 2.500 . 4.700 2.212 1.903 2.383 . 0 0 "[ . 1]" 1
755 1 48 ILE HB 1 48 ILE MD 2.500 . 4.700 2.330 1.985 3.212 . 0 0 "[ . 1]" 1
756 1 48 ILE MD 1 48 ILE MG 3.400 . 7.200 2.686 1.896 3.163 . 0 0 "[ . 1]" 1
757 1 48 ILE H 1 48 ILE MD 4.000 . 7.000 3.257 1.969 4.123 . 0 0 "[ . 1]" 1
758 1 48 ILE MD 1 52 TYR H 4.000 . 7.000 5.662 4.332 7.040 0.040 4 0 "[ . 1]" 1
759 1 48 ILE MD 1 53 ILE H 5.000 . 8.000 5.428 4.396 7.189 . 0 0 "[ . 1]" 1
760 1 48 ILE H 1 48 ILE QG 3.400 . 5.200 2.392 2.073 3.018 . 0 0 "[ . 1]" 1
761 1 48 ILE H 1 48 ILE MG 3.400 . 5.700 3.288 3.104 3.775 . 0 0 "[ . 1]" 1
762 1 49 PRO HA 1 51 ASN H 4.000 . 5.500 3.984 3.605 4.327 . 0 0 "[ . 1]" 1
763 1 49 PRO HB3 1 50 SER H 4.000 . 5.500 3.786 3.389 4.142 . 0 0 "[ . 1]" 1
764 1 49 PRO HB3 1 51 ASN H 4.000 . 5.500 4.340 3.931 4.643 . 0 0 "[ . 1]" 1
765 1 49 PRO HB3 1 52 TYR QD 4.000 . 7.500 3.754 3.309 4.520 . 0 0 "[ . 1]" 1
766 1 49 PRO HB3 1 52 TYR QE 5.000 . 8.500 4.102 3.313 4.919 . 0 0 "[ . 1]" 1
767 1 49 PRO HB3 1 52 TYR H 4.000 . 5.500 4.260 3.940 4.439 . 0 0 "[ . 1]" 1
768 1 49 PRO HB2 1 50 SER H 4.000 . 5.500 3.654 3.538 3.829 . 0 0 "[ . 1]" 1
769 1 49 PRO HB2 1 51 ASN H 3.400 . 4.200 3.677 3.399 4.115 . 0 0 "[ . 1]" 1
770 1 49 PRO HB2 1 52 TYR QB 5.000 . 7.500 2.506 2.235 2.862 . 0 0 "[ . 1]" 1
771 1 49 PRO HB2 1 52 TYR QD 4.000 . 7.500 2.758 2.140 3.512 . 0 0 "[ . 1]" 1
772 1 49 PRO HB2 1 52 TYR QE 4.000 . 7.500 4.008 3.309 4.548 . 0 0 "[ . 1]" 1
773 1 49 PRO HB2 1 52 TYR H 4.000 . 5.500 2.715 2.470 3.059 . 0 0 "[ . 1]" 1
774 1 49 PRO QD 1 53 ILE MG 5.000 . 9.000 4.430 3.856 4.957 . 0 0 "[ . 1]" 1
775 1 49 PRO QG 1 50 SER H 5.000 . 7.500 4.758 4.654 4.820 . 0 0 "[ . 1]" 1
776 1 49 PRO QG 1 52 TYR QB 4.000 . 7.500 2.612 1.895 3.528 . 0 0 "[ . 1]" 1
777 1 49 PRO QG 1 52 TYR QD 4.000 . 8.500 3.434 2.959 3.974 . 0 0 "[ . 1]" 1
778 1 49 PRO QG 1 52 TYR H 5.000 . 7.500 4.073 3.589 4.785 . 0 0 "[ . 1]" 1
779 1 50 SER HA 1 52 TYR H 4.000 . 5.500 3.886 3.641 4.061 . 0 0 "[ . 1]" 1
780 1 50 SER HA 1 53 ILE MD 3.500 . 5.700 3.326 2.195 5.482 . 0 0 "[ . 1]" 1
781 1 50 SER HA 1 53 ILE QG 4.000 . 6.500 4.245 2.306 5.238 . 0 0 "[ . 1]" 1
782 1 50 SER HA 1 53 ILE MG 4.000 . 7.000 3.173 2.625 3.997 . 0 0 "[ . 1]" 1
783 1 50 SER HA 1 53 ILE H 4.000 . 5.500 3.811 3.621 3.969 . 0 0 "[ . 1]" 1
784 1 50 SER QB 1 51 ASN H 4.000 . 6.500 2.845 2.570 3.340 . 0 0 "[ . 1]" 1
785 1 50 SER H 1 51 ASN H 3.400 . 4.200 2.540 2.431 2.672 . 0 0 "[ . 1]" 1
786 1 50 SER H 1 52 TYR H 5.000 . 6.500 4.091 3.856 4.250 . 0 0 "[ . 1]" 1
787 1 50 SER H 1 53 ILE H 5.000 . 6.500 5.417 5.082 5.621 . 0 0 "[ . 1]" 1
788 1 51 ASN HA 1 51 ASN HD21 4.000 . 5.500 3.619 2.094 4.170 . 0 0 "[ . 1]" 1
789 1 51 ASN HA 1 51 ASN HD22 5.000 . 6.500 4.139 3.256 5.083 . 0 0 "[ . 1]" 1
790 1 51 ASN HA 1 53 ILE H 4.000 . 5.500 3.710 3.533 3.981 . 0 0 "[ . 1]" 1
791 1 51 ASN QB 1 51 ASN HD22 3.400 . 5.200 3.261 3.213 3.433 . 0 0 "[ . 1]" 1
792 1 51 ASN QB 1 52 TYR H 4.000 . 6.500 3.265 3.164 3.806 . 0 0 "[ . 1]" 1
793 1 51 ASN QB 1 53 ILE H 5.000 . 7.500 4.648 4.522 4.755 . 0 0 "[ . 1]" 1
794 1 51 ASN H 1 51 ASN HD21 4.000 . 5.500 4.123 1.981 5.009 . 0 0 "[ . 1]" 1
795 1 51 ASN H 1 51 ASN HD22 5.000 . 6.500 4.883 3.154 5.616 . 0 0 "[ . 1]" 1
796 1 51 ASN H 1 52 TYR HA 5.000 . 6.500 5.301 5.211 5.373 . 0 0 "[ . 1]" 1
797 1 51 ASN H 1 52 TYR QB 4.000 . 6.500 4.724 4.587 4.846 . 0 0 "[ . 1]" 1
798 1 51 ASN H 1 52 TYR H 3.400 . 4.200 2.764 2.648 2.859 . 0 0 "[ . 1]" 1
799 1 51 ASN H 1 53 ILE H 4.000 . 5.500 4.267 4.145 4.417 . 0 0 "[ . 1]" 1
800 1 52 TYR HA 1 52 TYR QD 4.000 . 7.500 2.811 2.341 3.021 . 0 0 "[ . 1]" 1
801 1 52 TYR HA 1 53 ILE H 3.400 . 4.200 3.311 3.245 3.389 . 0 0 "[ . 1]" 1
802 1 52 TYR QB 1 52 TYR QE 4.000 . 8.500 3.965 3.952 3.979 . 0 0 "[ . 1]" 1
803 1 52 TYR H 1 52 TYR QB 3.400 . 5.200 2.354 2.279 2.402 . 0 0 "[ . 1]" 1
804 1 52 TYR QB 1 53 ILE H 4.000 . 6.500 3.322 3.067 3.443 . 0 0 "[ . 1]" 1
805 1 52 TYR H 1 52 TYR QD 3.400 . 6.200 2.270 2.083 2.719 . 0 0 "[ . 1]" 1
806 1 52 TYR QD 1 53 ILE H 5.000 . 8.500 4.246 4.082 4.392 . 0 0 "[ . 1]" 1
807 1 52 TYR H 1 52 TYR QE 4.000 . 7.500 4.559 4.432 4.847 . 0 0 "[ . 1]" 1
808 1 52 TYR H 1 53 ILE H 3.400 . 4.200 2.320 2.142 2.419 . 0 0 "[ . 1]" 1
809 1 53 ILE HA 1 53 ILE MD 4.000 . 7.000 3.651 3.257 4.092 . 0 0 "[ . 1]" 1
810 1 53 ILE HA 1 53 ILE MG 2.500 . 4.700 2.918 2.609 3.180 . 0 0 "[ . 1]" 1
811 1 53 ILE HA 1 54 GLU H 2.500 . 3.200 2.374 2.273 2.472 . 0 0 "[ . 1]" 1
812 1 53 ILE HB 1 54 GLU H 3.400 . 4.200 2.985 2.576 3.759 . 0 0 "[ . 1]" 1
813 1 53 ILE MD 1 54 GLU H 3.400 . 5.700 3.240 1.969 3.842 . 0 0 "[ . 1]" 1
814 1 53 ILE MD 1 55 MET HA 4.000 . 7.000 4.323 3.076 5.155 . 0 0 "[ . 1]" 1
815 1 53 ILE MD 1 55 MET QG 3.400 . 6.700 5.218 4.109 5.786 . 0 0 "[ . 1]" 1
816 1 53 ILE MD 1 55 MET H 4.000 . 7.000 4.322 3.378 5.679 . 0 0 "[ . 1]" 1
817 1 53 ILE H 1 53 ILE QG 3.400 . 5.200 3.679 2.323 4.093 . 0 0 "[ . 1]" 1
818 1 53 ILE QG 1 54 GLU H 5.000 . 7.500 2.305 1.818 3.778 . 0 0 "[ . 1]" 1
819 1 53 ILE H 1 53 ILE MG 3.400 . 5.700 2.250 2.036 2.472 . 0 0 "[ . 1]" 1
820 1 53 ILE MG 1 54 GLU H 3.400 . 5.700 3.998 3.525 4.100 . 0 0 "[ . 1]" 1
821 1 53 ILE MG 1 55 MET H 5.000 . 8.000 6.516 5.280 6.841 . 0 0 "[ . 1]" 1
822 1 54 GLU HA 1 54 GLU QG 2.500 . 4.200 2.515 2.116 3.316 . 0 0 "[ . 1]" 1
823 1 54 GLU HA 1 55 MET H 2.500 . 3.200 2.348 2.269 2.393 . 0 0 "[ . 1]" 1
824 1 54 GLU QB 1 55 MET H 3.400 . 5.200 2.990 2.457 3.470 . 0 0 "[ . 1]" 1
825 1 54 GLU H 1 54 GLU QG 3.400 . 5.200 3.566 2.262 4.300 . 0 0 "[ . 1]" 1
826 1 54 GLU QG 1 55 MET H 3.400 . 5.200 3.261 1.799 4.424 0.001 5 0 "[ . 1]" 1
827 1 55 MET HA 1 55 MET ME 3.400 . 5.700 4.336 2.744 5.212 . 0 0 "[ . 1]" 1
828 1 55 MET HA 1 55 MET QG 3.400 . 5.200 2.696 2.215 3.346 . 0 0 "[ . 1]" 1
829 1 55 MET HA 1 56 LYS H 2.500 . 3.200 2.115 2.066 2.149 . 0 0 "[ . 1]" 1
830 1 55 MET QB 1 55 MET ME 3.400 . 6.700 2.815 1.990 3.603 . 0 0 "[ . 1]" 1
831 1 55 MET QB 1 56 LYS H 3.400 . 5.200 3.376 3.091 3.803 . 0 0 "[ . 1]" 1
832 1 55 MET ME 1 55 MET QG 3.400 . 6.700 2.207 1.985 2.503 . 0 0 "[ . 1]" 1
833 1 55 MET H 1 55 MET ME 3.400 . 5.700 4.162 3.503 5.289 . 0 0 "[ . 1]" 1
834 1 55 MET ME 1 56 LYS H 4.000 . 7.000 5.316 2.501 6.464 . 0 0 "[ . 1]" 1
835 1 55 MET H 1 55 MET QG 3.400 . 5.200 2.923 1.827 4.020 . 0 0 "[ . 1]" 1
836 1 55 MET QG 1 56 LYS H 5.000 . 7.500 3.697 2.655 4.847 . 0 0 "[ . 1]" 1
837 1 56 LYS HA 1 57 ASN H 3.400 . 4.200 2.931 2.589 3.191 . 0 0 "[ . 1]" 1
838 1 56 LYS QB 1 57 ASN H 4.000 . 6.500 3.017 1.891 4.010 . 0 0 "[ . 1]" 1
839 1 56 LYS H 1 56 LYS QD 3.400 . 5.200 4.543 4.032 5.217 0.017 3 0 "[ . 1]" 1
840 1 56 LYS H 1 56 LYS QG 3.400 . 5.200 3.965 3.336 4.259 . 0 0 "[ . 1]" 1
841 1 56 LYS QG 1 57 ASN H 4.000 . 6.500 3.513 1.720 4.825 0.080 9 0 "[ . 1]" 1
842 1 56 LYS H 1 58 HIS H 4.000 . 5.500 5.374 4.687 5.843 0.343 2 0 "[ . 1]" 1
843 1 57 ASN HA 1 58 HIS H 3.400 . 4.200 2.776 2.081 3.588 . 0 0 "[ . 1]" 1
844 1 57 ASN QB 1 58 HIS H 3.400 . 5.200 3.452 1.790 4.020 0.010 6 0 "[ . 1]" 1
845 1 58 HIS HA 1 59 ASP H 3.400 . 4.200 3.125 2.127 3.582 . 0 0 "[ . 1]" 1
846 1 58 HIS QB 1 59 ASP H 3.400 . 5.200 2.664 1.803 3.631 . 0 0 "[ . 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 40
_Distance_constraint_stats_list.Viol_count 103
_Distance_constraint_stats_list.Viol_total 71.784
_Distance_constraint_stats_list.Viol_max 0.393
_Distance_constraint_stats_list.Viol_rms 0.0545
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0179
_Distance_constraint_stats_list.Viol_average_violations_only 0.0697
_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 3 ALA 0.303 0.071 1 0 "[ . 1]"
1 4 ILE 0.301 0.107 2 0 "[ . 1]"
1 5 ALA 0.172 0.060 6 0 "[ . 1]"
1 6 LYS 3.186 0.393 6 0 "[ . 1]"
1 9 PHE 0.863 0.096 10 0 "[ . 1]"
1 17 LEU 0.029 0.029 5 0 "[ . 1]"
1 19 PHE 0.863 0.096 10 0 "[ . 1]"
1 20 ARG 0.353 0.053 7 0 "[ . 1]"
1 22 THR 0.172 0.060 6 0 "[ . 1]"
1 23 GLN 0.353 0.053 7 0 "[ . 1]"
1 25 LEU 0.303 0.071 1 0 "[ . 1]"
1 26 LYS 0.279 0.072 7 0 "[ . 1]"
1 28 LEU 0.513 0.128 9 0 "[ . 1]"
1 35 ASN 0.146 0.069 7 0 "[ . 1]"
1 37 TYR 0.874 0.150 6 0 "[ . 1]"
1 38 ARG 0.513 0.128 9 0 "[ . 1]"
1 39 ALA 0.018 0.013 10 0 "[ . 1]"
1 40 GLU 0.279 0.072 7 0 "[ . 1]"
1 41 LEU 0.141 0.082 10 0 "[ . 1]"
1 44 LYS 0.141 0.082 10 0 "[ . 1]"
1 46 GLY 0.018 0.013 10 0 "[ . 1]"
1 47 LEU 0.029 0.029 5 0 "[ . 1]"
1 48 ILE 0.874 0.150 6 0 "[ . 1]"
1 50 SER 0.146 0.069 7 0 "[ . 1]"
1 52 TYR 3.186 0.393 6 0 "[ . 1]"
1 54 GLU 0.301 0.107 2 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 4 ILE O 1 54 GLU H 1.800 . 2.300 1.848 1.685 1.999 . 0 0 "[ . 1]" 2
2 1 4 ILE O 1 54 GLU N 2.800 2.400 3.300 2.775 2.656 2.884 . 0 0 "[ . 1]" 2
3 1 4 ILE H 1 54 GLU O 1.800 . 2.300 2.177 1.868 2.407 0.107 2 0 "[ . 1]" 2
4 1 4 ILE N 1 54 GLU O 2.800 2.400 3.300 3.005 2.729 3.202 . 0 0 "[ . 1]" 2
5 1 3 ALA O 1 25 LEU H 1.800 . 2.300 1.940 1.700 2.371 0.071 1 0 "[ . 1]" 2
6 1 3 ALA O 1 25 LEU N 2.800 2.400 3.300 2.837 2.637 3.193 . 0 0 "[ . 1]" 2
7 1 3 ALA H 1 25 LEU O 1.800 . 2.300 2.321 2.291 2.363 0.063 3 0 "[ . 1]" 2
8 1 3 ALA N 1 25 LEU O 2.800 2.400 3.300 3.178 3.071 3.308 0.008 3 0 "[ . 1]" 2
9 1 5 ALA O 1 22 THR H 1.800 . 2.300 2.262 2.089 2.360 0.060 6 0 "[ . 1]" 2
10 1 5 ALA O 1 22 THR N 2.800 2.400 3.300 3.043 2.859 3.139 . 0 0 "[ . 1]" 2
11 1 6 LYS H 1 52 TYR O 1.800 . 2.300 2.619 2.543 2.693 0.393 6 0 "[ . 1]" 2
12 1 6 LYS N 1 52 TYR O 2.800 2.400 3.300 2.861 2.800 2.924 . 0 0 "[ . 1]" 2
13 1 9 PHE O 1 19 PHE H 1.800 . 2.300 2.236 1.942 2.391 0.091 6 0 "[ . 1]" 2
14 1 9 PHE O 1 19 PHE N 2.800 2.400 3.300 3.191 2.896 3.336 0.036 6 0 "[ . 1]" 2
15 1 9 PHE H 1 19 PHE O 1.800 . 2.300 2.361 2.228 2.396 0.096 10 0 "[ . 1]" 2
16 1 9 PHE N 1 19 PHE O 2.800 2.400 3.300 3.232 3.109 3.302 0.002 9 0 "[ . 1]" 2
17 1 20 ARG O 1 23 GLN H 1.800 . 2.300 2.333 2.311 2.353 0.053 7 0 "[ . 1]" 2
18 1 20 ARG O 1 23 GLN N 2.800 2.400 3.300 3.260 3.190 3.313 0.013 4 0 "[ . 1]" 2
19 1 26 LYS O 1 40 GLU H 1.800 . 2.300 1.863 1.685 2.226 . 0 0 "[ . 1]" 2
20 1 26 LYS O 1 40 GLU N 2.800 2.400 3.300 2.683 2.537 3.006 . 0 0 "[ . 1]" 2
21 1 26 LYS H 1 40 GLU O 1.800 . 2.300 2.311 2.163 2.372 0.072 7 0 "[ . 1]" 2
22 1 26 LYS N 1 40 GLU O 2.800 2.400 3.300 3.207 3.086 3.272 . 0 0 "[ . 1]" 2
23 1 35 ASN O 1 50 SER H 1.800 . 2.300 2.254 1.868 2.369 0.069 7 0 "[ . 1]" 2
24 1 35 ASN O 1 50 SER N 2.800 2.400 3.300 2.924 2.714 3.186 . 0 0 "[ . 1]" 2
25 1 37 TYR O 1 48 ILE H 1.800 . 2.300 2.052 1.860 2.307 0.007 5 0 "[ . 1]" 2
26 1 37 TYR O 1 48 ILE N 2.800 2.400 3.300 2.812 2.550 3.101 . 0 0 "[ . 1]" 2
27 1 37 TYR H 1 48 ILE O 1.800 . 2.300 2.368 2.316 2.450 0.150 6 0 "[ . 1]" 2
28 1 37 TYR N 1 48 ILE O 2.800 2.400 3.300 3.273 3.157 3.397 0.097 6 0 "[ . 1]" 2
29 1 28 LEU H 1 38 ARG O 1.800 . 2.300 2.345 2.246 2.428 0.128 9 0 "[ . 1]" 2
30 1 28 LEU N 1 38 ARG O 2.800 2.400 3.300 3.207 3.091 3.305 0.005 9 0 "[ . 1]" 2
31 1 39 ALA O 1 46 GLY H 1.800 . 2.300 2.000 1.709 2.305 0.005 9 0 "[ . 1]" 2
32 1 39 ALA O 1 46 GLY N 2.800 2.400 3.300 2.886 2.653 3.202 . 0 0 "[ . 1]" 2
33 1 39 ALA H 1 46 GLY O 1.800 . 2.300 2.097 1.699 2.313 0.013 10 0 "[ . 1]" 2
34 1 39 ALA N 1 46 GLY O 2.800 2.400 3.300 3.010 2.580 3.254 . 0 0 "[ . 1]" 2
35 1 41 LEU O 1 44 LYS H 1.800 . 2.300 2.026 1.590 2.240 . 0 0 "[ . 1]" 2
36 1 41 LEU O 1 44 LYS N 2.800 2.400 3.300 2.931 2.554 3.214 . 0 0 "[ . 1]" 2
37 1 41 LEU H 1 44 LYS O 1.800 . 2.300 2.241 2.078 2.382 0.082 10 0 "[ . 1]" 2
38 1 41 LEU N 1 44 LYS O 2.800 2.400 3.300 3.099 2.909 3.294 . 0 0 "[ . 1]" 2
39 1 17 LEU H 1 47 LEU O 1.800 . 2.300 1.957 1.602 2.329 0.029 5 0 "[ . 1]" 2
40 1 17 LEU N 1 47 LEU O 2.800 2.400 3.300 2.691 2.407 3.094 . 0 0 "[ . 1]" 2
stop_
save_
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