NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486509 |
3phy   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_3phy
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 1159
_Distance_constraint_stats_list.Viol_count 2345
_Distance_constraint_stats_list.Viol_total 7211.276
_Distance_constraint_stats_list.Viol_max 1.937
_Distance_constraint_stats_list.Viol_rms 0.0623
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.1183
_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 4 VAL 1.257 0.188 3 0 "[ . 1 . 2 . ]"
1 5 ALA 9.260 1.014 8 6 "[ . -+ 1 . * * * *. ]"
1 6 PHE 11.370 0.559 11 4 "[*- . 1+ .* 2 . ]"
1 7 GLY 0.000 0.000 2 0 "[ . 1 . 2 . ]"
1 8 SER 0.658 0.125 11 0 "[ . 1 . 2 . ]"
1 9 GLU 0.658 0.125 11 0 "[ . 1 . 2 . ]"
1 10 ASP 0.137 0.096 24 0 "[ . 1 . 2 . ]"
1 11 ILE 15.855 0.441 1 0 "[ . 1 . 2 . ]"
1 12 GLU 2.311 0.158 5 0 "[ . 1 . 2 . ]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 14 THR 2.380 0.180 19 0 "[ . 1 . 2 . ]"
1 15 LEU 4.108 0.158 5 0 "[ . 1 . 2 . ]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 17 LYS 0.774 0.180 19 0 "[ . 1 . 2 . ]"
1 18 MET 2.384 0.176 21 0 "[ . 1 . 2 . ]"
1 19 ASP 0.910 0.166 21 0 "[ . 1 . 2 . ]"
1 20 ASP 1.997 0.185 1 0 "[ . 1 . 2 . ]"
1 21 GLY 0.719 0.166 2 0 "[ . 1 . 2 . ]"
1 22 GLN 0.955 0.121 20 0 "[ . 1 . 2 . ]"
1 23 LEU 1.208 0.185 1 0 "[ . 1 . 2 . ]"
1 24 ASP 0.199 0.098 23 0 "[ . 1 . 2 . ]"
1 25 GLY 1.014 0.110 26 0 "[ . 1 . 2 . ]"
1 26 LEU 8.373 0.381 4 0 "[ . 1 . 2 . ]"
1 27 ALA 7.294 0.381 4 0 "[ . 1 . 2 . ]"
1 28 PHE 8.223 1.014 8 6 "[ . -+ 1 . * * * *. ]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 30 ALA 0.951 0.151 19 0 "[ . 1 . 2 . ]"
1 31 ILE 0.310 0.063 20 0 "[ . 1 . 2 . ]"
1 32 GLN 42.034 1.937 25 26 [***********-************+*]
1 33 LEU 5.682 0.219 11 0 "[ . 1 . 2 . ]"
1 34 ASP 1.488 0.096 26 0 "[ . 1 . 2 . ]"
1 35 GLY 5.438 0.391 20 0 "[ . 1 . 2 . ]"
1 36 ASP 8.837 0.391 20 0 "[ . 1 . 2 . ]"
1 37 GLY 2.810 0.151 5 0 "[ . 1 . 2 . ]"
1 38 ASN 3.607 0.152 12 0 "[ . 1 . 2 . ]"
1 39 ILE 8.915 0.225 12 0 "[ . 1 . 2 . ]"
1 40 LEU 1.615 0.151 14 0 "[ . 1 . 2 . ]"
1 41 GLN 4.166 0.158 5 0 "[ . 1 . 2 . ]"
1 42 TYR 2.216 0.158 5 0 "[ . 1 . 2 . ]"
1 43 ASN 1.029 0.151 19 0 "[ . 1 . 2 . ]"
1 44 ALA 1.189 0.114 22 0 "[ . 1 . 2 . ]"
1 45 ALA 3.114 0.165 12 0 "[ . 1 . 2 . ]"
1 46 GLU 9.248 0.383 16 0 "[ . 1 . 2 . ]"
1 47 GLY 9.994 0.383 16 0 "[ . 1 . 2 . ]"
1 48 ASP 4.905 0.165 12 0 "[ . 1 . 2 . ]"
1 49 ILE 10.668 0.382 23 0 "[ . 1 . 2 . ]"
1 50 THR 5.838 0.266 5 0 "[ . 1 . 2 . ]"
1 51 GLY 3.521 0.157 1 0 "[ . 1 . 2 . ]"
1 52 ARG 1.986 0.127 11 0 "[ . 1 . 2 . ]"
1 53 ASP 1.642 0.127 11 0 "[ . 1 . 2 . ]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 55 LYS 2.763 0.136 7 0 "[ . 1 . 2 . ]"
1 56 GLN 1.583 0.103 18 0 "[ . 1 . 2 . ]"
1 57 VAL 1.617 0.250 11 0 "[ . 1 . 2 . ]"
1 58 ILE 6.075 0.225 12 0 "[ . 1 . 2 . ]"
1 59 GLY 1.851 0.093 3 0 "[ . 1 . 2 . ]"
1 60 LYS 2.413 0.250 11 0 "[ . 1 . 2 . ]"
1 61 ASN 0.744 0.111 2 0 "[ . 1 . 2 . ]"
1 62 PHE 2.831 0.170 24 0 "[ . 1 . 2 . ]"
1 63 PHE 0.941 0.110 20 0 "[ . 1 . 2 . ]"
1 64 LYS 1.060 0.110 20 0 "[ . 1 . 2 . ]"
1 65 ASP 0.454 0.086 11 0 "[ . 1 . 2 . ]"
1 66 VAL 3.826 0.225 9 0 "[ . 1 . 2 . ]"
1 67 ALA 0.804 0.190 18 0 "[ . 1 . 2 . ]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 69 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 70 THR 2.661 0.187 16 0 "[ . 1 . 2 . ]"
1 71 ASP 2.078 0.082 5 0 "[ . 1 . 2 . ]"
1 72 SER 1.009 0.082 5 0 "[ . 1 . 2 . ]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 74 GLU 2.827 0.170 23 0 "[ . 1 . 2 . ]"
1 75 PHE 1.815 0.137 15 0 "[ . 1 . 2 . ]"
1 76 TYR 0.346 0.090 5 0 "[ . 1 . 2 . ]"
1 77 GLY 2.257 0.128 5 0 "[ . 1 . 2 . ]"
1 78 LYS 0.979 0.057 10 0 "[ . 1 . 2 . ]"
1 79 PHE 14.810 0.308 11 0 "[ . 1 . 2 . ]"
1 80 LYS 10.379 0.285 18 0 "[ . 1 . 2 . ]"
1 81 GLU 0.000 0.000 2 0 "[ . 1 . 2 . ]"
1 82 GLY 1.658 0.092 8 0 "[ . 1 . 2 . ]"
1 83 VAL 5.998 0.225 22 0 "[ . 1 . 2 . ]"
1 84 ALA 0.218 0.033 21 0 "[ . 1 . 2 . ]"
1 85 SER 0.067 0.027 24 0 "[ . 1 . 2 . ]"
1 86 GLY 0.438 0.076 2 0 "[ . 1 . 2 . ]"
1 87 ASN 0.322 0.037 21 0 "[ . 1 . 2 . ]"
1 88 LEU 3.864 0.139 24 0 "[ . 1 . 2 . ]"
1 89 ASN 0.111 0.058 24 0 "[ . 1 . 2 . ]"
1 90 THR 4.419 0.200 14 0 "[ . 1 . 2 . ]"
1 91 MET 1.459 0.163 24 0 "[ . 1 . 2 . ]"
1 92 PHE 7.403 0.419 19 0 "[ . 1 . 2 . ]"
1 93 GLU 0.581 0.075 17 0 "[ . 1 . 2 . ]"
1 94 TYR 0.548 0.063 8 0 "[ . 1 . 2 . ]"
1 95 THR 0.095 0.038 2 0 "[ . 1 . 2 . ]"
1 96 PHE 3.566 0.209 18 0 "[ . 1 . 2 . ]"
1 97 ASP 1.197 0.192 17 0 "[ . 1 . 2 . ]"
1 98 TYR 1.726 0.192 17 0 "[ . 1 . 2 . ]"
1 99 GLN 1.686 0.191 17 0 "[ . 1 . 2 . ]"
1 100 MET 2.084 0.136 24 0 "[ . 1 . 2 . ]"
1 101 THR 0.590 0.130 12 0 "[ . 1 . 2 . ]"
1 102 PRO 0.020 0.020 24 0 "[ . 1 . 2 . ]"
1 103 THR 0.292 0.103 8 0 "[ . 1 . 2 . ]"
1 104 LYS 2.362 0.134 21 0 "[ . 1 . 2 . ]"
1 105 VAL 10.847 0.272 18 0 "[ . 1 . 2 . ]"
1 106 LYS 3.861 0.199 15 0 "[ . 1 . 2 . ]"
1 107 VAL 20.309 0.419 19 0 "[ . 1 . 2 . ]"
1 108 HIS 9.407 0.230 18 0 "[ . 1 . 2 . ]"
1 109 MET 3.873 0.144 11 0 "[ . 1 . 2 . ]"
1 110 LYS 11.381 0.290 6 0 "[ . 1 . 2 . ]"
1 111 LYS 0.157 0.067 9 0 "[ . 1 . 2 . ]"
1 112 ALA 3.150 0.165 8 0 "[ . 1 . 2 . ]"
1 113 LEU 0.718 0.109 20 0 "[ . 1 . 2 . ]"
1 114 SER 0.761 0.131 11 0 "[ . 1 . 2 . ]"
1 115 GLY 0.008 0.008 6 0 "[ . 1 . 2 . ]"
1 116 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 117 SER 1.781 0.165 8 0 "[ . 1 . 2 . ]"
1 118 TYR 0.024 0.023 16 0 "[ . 1 . 2 . ]"
1 119 TRP 66.462 1.937 25 26 [***********-************+*]
1 120 VAL 1.798 0.144 11 0 "[ . 1 . 2 . ]"
1 121 PHE 4.190 0.226 24 0 "[ . 1 . 2 . ]"
1 122 VAL 3.336 0.210 15 0 "[ . 1 . 2 . ]"
1 123 LYS 16.070 0.559 11 4 "[*- . 1+ .* 2 . ]"
1 124 ARG 4.519 0.272 18 0 "[ . 1 . 2 . ]"
1 125 VAL 1.369 0.096 25 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 115 GLY H 1 116 ASP H 3.000 . 3.500 2.361 1.919 3.243 . 0 0 "[ . 1 . 2 . ]" 1
2 1 90 THR H 1 110 LYS HA 3.000 . 3.500 3.548 3.438 3.700 0.200 14 0 "[ . 1 . 2 . ]" 1
3 1 90 THR H 1 109 MET H 3.000 . 3.500 3.526 3.191 3.630 0.130 18 0 "[ . 1 . 2 . ]" 1
4 1 92 PHE H 1 107 VAL H 3.000 . 3.500 3.194 2.690 3.531 0.031 22 0 "[ . 1 . 2 . ]" 1
5 1 96 PHE H 1 103 THR H 3.700 . 4.200 3.758 3.246 4.049 . 0 0 "[ . 1 . 2 . ]" 1
6 1 76 TYR H 1 77 GLY H 3.700 . 4.200 2.442 2.358 2.518 . 0 0 "[ . 1 . 2 . ]" 1
7 1 55 LYS H 1 56 GLN H 3.000 . 3.500 2.594 2.267 2.903 . 0 0 "[ . 1 . 2 . ]" 1
8 1 46 GLU H 1 47 GLY H 3.000 . 3.500 2.765 2.579 2.882 . 0 0 "[ . 1 . 2 . ]" 1
9 1 19 ASP H 1 20 ASP H 3.700 . 4.200 2.737 1.933 4.258 0.058 23 0 "[ . 1 . 2 . ]" 1
10 1 20 ASP H 1 21 GLY H 3.000 . 3.500 2.976 1.951 3.666 0.166 2 0 "[ . 1 . 2 . ]" 1
11 1 24 ASP H 1 25 GLY H 3.000 . 3.500 2.447 1.791 2.738 0.009 23 0 "[ . 1 . 2 . ]" 1
12 1 26 LEU H 1 27 ALA H 3.700 . 4.200 4.471 4.374 4.581 0.381 4 0 "[ . 1 . 2 . ]" 1
13 1 46 GLU HA 1 49 ILE H 3.000 . 3.500 3.344 3.135 3.522 0.022 26 0 "[ . 1 . 2 . ]" 1
14 1 4 VAL H 1 4 VAL HB 3.100 . 3.600 3.015 2.254 3.693 0.093 24 0 "[ . 1 . 2 . ]" 1
15 1 5 ALA H 1 5 ALA MB 3.400 . 3.900 2.595 2.009 2.937 . 0 0 "[ . 1 . 2 . ]" 1
16 1 4 VAL HA 1 5 ALA H 2.300 . 2.800 2.396 2.165 2.919 0.119 3 0 "[ . 1 . 2 . ]" 1
17 1 4 VAL HB 1 5 ALA H 4.500 . 5.000 4.121 3.394 4.724 . 0 0 "[ . 1 . 2 . ]" 1
18 1 4 VAL QG 1 5 ALA H 6.700 . 7.200 2.542 1.612 3.785 0.188 3 0 "[ . 1 . 2 . ]" 1
19 1 4 VAL H 1 5 ALA H 4.000 . 4.500 4.193 2.673 4.658 0.158 5 0 "[ . 1 . 2 . ]" 1
20 1 5 ALA HA 1 6 PHE H 4.000 . 4.500 2.769 2.255 3.531 . 0 0 "[ . 1 . 2 . ]" 1
21 1 5 ALA MB 1 6 PHE H 4.300 . 4.800 2.348 1.732 3.768 0.068 15 0 "[ . 1 . 2 . ]" 1
22 1 6 PHE QD 1 7 GLY QA 7.400 . 7.900 4.180 3.414 4.668 . 0 0 "[ . 1 . 2 . ]" 1
23 1 6 PHE HA 1 7 GLY H 3.100 . 3.600 3.296 2.361 3.600 0.000 2 0 "[ . 1 . 2 . ]" 1
24 1 5 ALA MB 1 8 SER HA 4.300 . 4.800 3.625 1.892 4.198 . 0 0 "[ . 1 . 2 . ]" 1
25 1 5 ALA MB 1 8 SER QB 4.400 . 4.900 2.537 1.871 3.648 . 0 0 "[ . 1 . 2 . ]" 1
26 1 7 GLY QA 1 8 SER QB 6.000 . 6.500 4.620 3.791 4.881 . 0 0 "[ . 1 . 2 . ]" 1
27 1 4 VAL QG 1 8 SER QB 7.700 . 8.200 2.803 1.857 3.960 . 0 0 "[ . 1 . 2 . ]" 1
28 1 9 GLU H 1 9 GLU QB 3.100 . 3.600 2.204 1.960 2.452 . 0 0 "[ . 1 . 2 . ]" 1
29 1 8 SER QB 1 9 GLU QB 6.000 . 6.500 4.166 3.353 4.985 . 0 0 "[ . 1 . 2 . ]" 1
30 1 8 SER HA 1 9 GLU H 2.100 . 2.600 2.451 2.142 2.725 0.125 11 0 "[ . 1 . 2 . ]" 1
31 1 8 SER QB 1 9 GLU H 5.000 . 5.500 2.514 1.911 3.580 . 0 0 "[ . 1 . 2 . ]" 1
32 1 8 SER H 1 9 GLU H 4.500 . 5.000 4.546 4.213 4.661 . 0 0 "[ . 1 . 2 . ]" 1
33 1 9 GLU HA 1 10 ASP H 3.100 . 3.600 2.632 2.244 3.516 . 0 0 "[ . 1 . 2 . ]" 1
34 1 9 GLU QB 1 10 ASP H 4.100 . 4.600 3.798 1.877 4.003 . 0 0 "[ . 1 . 2 . ]" 1
35 1 9 GLU H 1 10 ASP H 4.000 . 4.500 3.588 2.639 4.376 . 0 0 "[ . 1 . 2 . ]" 1
36 1 8 SER QB 1 10 ASP H 5.000 . 5.500 3.560 2.677 4.768 . 0 0 "[ . 1 . 2 . ]" 1
37 1 11 ILE HA 1 11 ILE HB 2.100 . 2.600 2.924 2.897 2.951 0.351 4 0 "[ . 1 . 2 . ]" 1
38 1 11 ILE H 1 11 ILE HB 2.100 . 2.600 2.874 2.761 3.041 0.441 1 0 "[ . 1 . 2 . ]" 1
39 1 11 ILE HA 1 11 ILE MD 4.300 . 4.800 2.310 1.925 3.664 . 0 0 "[ . 1 . 2 . ]" 1
40 1 11 ILE H 1 11 ILE QG 3.100 . 3.600 1.858 1.773 2.313 0.027 4 0 "[ . 1 . 2 . ]" 1
41 1 11 ILE HA 1 11 ILE MG 3.400 . 3.900 2.094 2.040 2.181 . 0 0 "[ . 1 . 2 . ]" 1
42 1 8 SER QB 1 11 ILE MG 4.400 . 4.900 3.697 3.537 3.811 . 0 0 "[ . 1 . 2 . ]" 1
43 1 10 ASP HA 1 11 ILE H 3.100 . 3.600 2.428 2.305 2.700 . 0 0 "[ . 1 . 2 . ]" 1
44 1 10 ASP H 1 11 ILE H 3.100 . 3.600 3.300 2.915 3.696 0.096 24 0 "[ . 1 . 2 . ]" 1
45 1 11 ILE MG 1 12 GLU HA 4.300 . 4.800 4.037 3.940 4.140 . 0 0 "[ . 1 . 2 . ]" 1
46 1 11 ILE QG 1 12 GLU H 4.100 . 4.600 3.350 3.101 3.829 . 0 0 "[ . 1 . 2 . ]" 1
47 1 10 ASP QB 1 13 ASN QB 6.000 . 6.500 2.554 2.019 3.267 . 0 0 "[ . 1 . 2 . ]" 1
48 1 12 GLU HA 1 13 ASN H 4.500 . 5.000 3.533 3.484 3.601 . 0 0 "[ . 1 . 2 . ]" 1
49 1 12 GLU QB 1 13 ASN H 4.100 . 4.600 3.294 2.609 3.659 . 0 0 "[ . 1 . 2 . ]" 1
50 1 12 GLU H 1 13 ASN H 3.100 . 3.600 3.051 2.884 3.236 . 0 0 "[ . 1 . 2 . ]" 1
51 1 11 ILE HA 1 13 ASN H 4.500 . 5.000 4.010 3.798 4.571 . 0 0 "[ . 1 . 2 . ]" 1
52 1 9 GLU QB 1 14 THR HB 5.000 . 5.500 4.982 4.608 5.131 . 0 0 "[ . 1 . 2 . ]" 1
53 1 11 ILE HA 1 14 THR HB 4.000 . 4.500 2.397 2.029 3.107 . 0 0 "[ . 1 . 2 . ]" 1
54 1 14 THR H 1 14 THR HB 2.300 . 2.800 2.240 2.155 2.331 . 0 0 "[ . 1 . 2 . ]" 1
55 1 14 THR HA 1 14 THR MG 3.400 . 3.900 2.591 2.452 2.810 . 0 0 "[ . 1 . 2 . ]" 1
56 1 14 THR H 1 14 THR MG 4.300 . 4.800 3.680 3.612 3.730 . 0 0 "[ . 1 . 2 . ]" 1
57 1 13 ASN HA 1 14 THR H 4.500 . 5.000 3.552 3.525 3.591 . 0 0 "[ . 1 . 2 . ]" 1
58 1 13 ASN QB 1 14 THR H 4.100 . 4.600 2.538 2.288 2.702 . 0 0 "[ . 1 . 2 . ]" 1
59 1 13 ASN H 1 14 THR H 2.300 . 2.800 2.430 2.230 2.718 . 0 0 "[ . 1 . 2 . ]" 1
60 1 11 ILE HA 1 14 THR H 4.000 . 4.500 3.248 3.021 3.547 . 0 0 "[ . 1 . 2 . ]" 1
61 1 12 GLU HA 1 15 LEU QB 5.000 . 5.500 2.735 2.221 3.352 . 0 0 "[ . 1 . 2 . ]" 1
62 1 11 ILE MG 1 15 LEU QB 4.400 . 4.900 3.613 3.575 3.697 . 0 0 "[ . 1 . 2 . ]" 1
63 1 14 THR HB 1 15 LEU QB 5.000 . 5.500 4.978 4.866 5.076 . 0 0 "[ . 1 . 2 . ]" 1
64 1 12 GLU HA 1 15 LEU MD1 4.300 . 4.800 2.330 2.136 2.854 . 0 0 "[ . 1 . 2 . ]" 1
65 1 11 ILE HA 1 15 LEU MD1 4.300 . 4.800 3.370 3.230 3.747 . 0 0 "[ . 1 . 2 . ]" 1
66 1 15 LEU HA 1 15 LEU MD1 4.300 . 4.800 3.895 3.806 3.965 . 0 0 "[ . 1 . 2 . ]" 1
67 1 15 LEU H 1 15 LEU MD1 4.300 . 4.800 3.439 3.310 3.639 . 0 0 "[ . 1 . 2 . ]" 1
68 1 14 THR MG 1 15 LEU MD1 6.100 . 6.600 4.475 4.012 4.533 . 0 0 "[ . 1 . 2 . ]" 1
69 1 11 ILE HA 1 15 LEU MD2 4.300 . 4.800 3.873 3.589 4.021 . 0 0 "[ . 1 . 2 . ]" 1
70 1 11 ILE MG 1 15 LEU MD2 4.600 . 5.100 2.092 1.884 2.286 . 0 0 "[ . 1 . 2 . ]" 1
71 1 15 LEU HA 1 15 LEU MD2 3.400 . 3.900 2.147 1.902 2.405 . 0 0 "[ . 1 . 2 . ]" 1
72 1 15 LEU H 1 15 LEU MD2 4.300 . 4.800 3.490 2.809 3.858 . 0 0 "[ . 1 . 2 . ]" 1
73 1 12 GLU HA 1 15 LEU HG 3.100 . 3.600 3.660 3.494 3.758 0.158 5 0 "[ . 1 . 2 . ]" 1
74 1 11 ILE MG 1 15 LEU HG 4.300 . 4.800 1.947 1.850 2.163 . 0 0 "[ . 1 . 2 . ]" 1
75 1 15 LEU H 1 15 LEU HG 3.100 . 3.600 2.171 1.707 2.691 0.093 21 0 "[ . 1 . 2 . ]" 1
76 1 13 ASN QB 1 15 LEU H 5.500 . 6.000 4.479 4.255 4.998 . 0 0 "[ . 1 . 2 . ]" 1
77 1 12 GLU HA 1 15 LEU H 4.500 . 5.000 3.794 3.427 4.292 . 0 0 "[ . 1 . 2 . ]" 1
78 1 11 ILE HA 1 15 LEU H 4.000 . 4.500 3.894 3.011 4.304 . 0 0 "[ . 1 . 2 . ]" 1
79 1 14 THR HA 1 15 LEU H 4.000 . 4.500 3.439 3.344 3.532 . 0 0 "[ . 1 . 2 . ]" 1
80 1 14 THR HB 1 15 LEU H 4.000 . 4.500 3.086 2.388 3.500 . 0 0 "[ . 1 . 2 . ]" 1
81 1 14 THR MG 1 15 LEU H 4.300 . 4.800 3.336 2.366 3.774 . 0 0 "[ . 1 . 2 . ]" 1
82 1 14 THR H 1 15 LEU H 2.100 . 2.600 2.643 2.548 2.731 0.131 21 0 "[ . 1 . 2 . ]" 1
83 1 16 ALA HA 1 16 ALA MB 2.400 . 2.900 2.129 2.105 2.153 . 0 0 "[ . 1 . 2 . ]" 1
84 1 16 ALA H 1 16 ALA MB 3.400 . 3.900 2.216 2.047 2.315 . 0 0 "[ . 1 . 2 . ]" 1
85 1 13 ASN HA 1 16 ALA MB 3.400 . 3.900 2.980 2.548 3.145 . 0 0 "[ . 1 . 2 . ]" 1
86 1 13 ASN HA 1 16 ALA H 4.000 . 4.500 3.501 3.167 3.880 . 0 0 "[ . 1 . 2 . ]" 1
87 1 13 ASN QB 1 16 ALA H 5.000 . 5.500 4.847 4.666 4.980 . 0 0 "[ . 1 . 2 . ]" 1
88 1 15 LEU HA 1 16 ALA H 4.500 . 5.000 3.473 3.296 3.536 . 0 0 "[ . 1 . 2 . ]" 1
89 1 15 LEU QB 1 16 ALA H 5.000 . 5.500 2.921 2.643 3.397 . 0 0 "[ . 1 . 2 . ]" 1
90 1 15 LEU H 1 16 ALA H 3.100 . 3.600 2.391 2.094 2.976 . 0 0 "[ . 1 . 2 . ]" 1
91 1 14 THR HA 1 16 ALA H 4.000 . 4.500 4.054 3.585 4.307 . 0 0 "[ . 1 . 2 . ]" 1
92 1 14 THR HA 1 17 LYS QB 5.000 . 5.500 3.891 3.142 4.963 . 0 0 "[ . 1 . 2 . ]" 1
93 1 16 ALA HA 1 17 LYS H 4.500 . 5.000 3.504 3.306 3.596 . 0 0 "[ . 1 . 2 . ]" 1
94 1 16 ALA MB 1 17 LYS H 4.800 . 5.300 2.743 1.966 3.339 . 0 0 "[ . 1 . 2 . ]" 1
95 1 14 THR HA 1 17 LYS H 3.100 . 3.600 3.568 3.084 3.780 0.180 19 0 "[ . 1 . 2 . ]" 1
96 1 15 LEU HA 1 18 MET QB 5.000 . 5.500 3.502 1.903 5.142 . 0 0 "[ . 1 . 2 . ]" 1
97 1 15 LEU HA 1 18 MET ME 4.300 . 4.800 2.436 1.819 3.730 . 0 0 "[ . 1 . 2 . ]" 1
98 1 15 LEU MD2 1 18 MET ME 4.600 . 5.100 2.597 1.725 3.512 0.075 7 0 "[ . 1 . 2 . ]" 1
99 1 14 THR MG 1 18 MET ME 4.600 . 5.100 2.911 1.624 3.423 0.176 21 0 "[ . 1 . 2 . ]" 1
100 1 15 LEU HA 1 18 MET QG 5.000 . 5.500 4.268 2.975 4.945 . 0 0 "[ . 1 . 2 . ]" 1
101 1 18 MET H 1 18 MET QG 4.100 . 4.600 3.919 2.631 4.232 . 0 0 "[ . 1 . 2 . ]" 1
102 1 14 THR MG 1 18 MET QG 5.300 . 5.800 3.235 1.907 4.015 . 0 0 "[ . 1 . 2 . ]" 1
103 1 15 LEU HA 1 18 MET H 4.500 . 5.000 4.337 3.052 5.065 0.065 11 0 "[ . 1 . 2 . ]" 1
104 1 17 LYS HA 1 18 MET H 3.100 . 3.600 2.849 2.338 3.595 . 0 0 "[ . 1 . 2 . ]" 1
105 1 17 LYS H 1 18 MET H 3.100 . 3.600 2.945 1.922 3.631 0.031 10 0 "[ . 1 . 2 . ]" 1
106 1 18 MET HA 1 19 ASP H 2.300 . 2.800 2.406 2.189 2.966 0.166 21 0 "[ . 1 . 2 . ]" 1
107 1 18 MET QB 1 19 ASP H 4.100 . 4.600 3.138 1.782 3.935 0.018 21 0 "[ . 1 . 2 . ]" 1
108 1 18 MET QG 1 19 ASP H 5.500 . 6.000 2.498 1.909 4.346 . 0 0 "[ . 1 . 2 . ]" 1
109 1 18 MET H 1 19 ASP H 4.000 . 4.500 4.408 3.942 4.661 0.161 6 0 "[ . 1 . 2 . ]" 1
110 1 19 ASP HA 1 20 ASP H 3.100 . 3.600 3.437 2.352 3.594 . 0 0 "[ . 1 . 2 . ]" 1
111 1 19 ASP QB 1 20 ASP H 3.300 . 3.800 2.435 1.884 3.688 . 0 0 "[ . 1 . 2 . ]" 1
112 1 20 ASP HA 1 21 GLY H 3.100 . 3.600 2.825 2.171 3.587 . 0 0 "[ . 1 . 2 . ]" 1
113 1 20 ASP QB 1 21 GLY H 4.100 . 4.600 3.367 1.893 4.030 . 0 0 "[ . 1 . 2 . ]" 1
114 1 18 MET QG 1 22 GLN HA 4.100 . 4.600 3.599 1.781 4.241 0.019 2 0 "[ . 1 . 2 . ]" 1
115 1 19 ASP H 1 22 GLN QB 4.100 . 4.600 3.461 2.364 4.272 . 0 0 "[ . 1 . 2 . ]" 1
116 1 22 GLN H 1 22 GLN QB 3.100 . 3.600 2.659 2.215 3.435 . 0 0 "[ . 1 . 2 . ]" 1
117 1 18 MET QB 1 22 GLN QB 5.100 . 5.600 3.169 2.201 3.934 . 0 0 "[ . 1 . 2 . ]" 1
118 1 18 MET QG 1 22 GLN QB 4.100 . 4.600 1.872 1.679 3.209 0.121 20 0 "[ . 1 . 2 . ]" 1
119 1 18 MET QB 1 22 GLN HE22 4.100 . 4.600 3.443 2.199 4.135 . 0 0 "[ . 1 . 2 . ]" 1
120 1 18 MET QG 1 22 GLN HE22 4.100 . 4.600 3.463 2.384 4.173 . 0 0 "[ . 1 . 2 . ]" 1
121 1 22 GLN H 1 22 GLN QG 4.100 . 4.600 3.562 2.406 4.174 . 0 0 "[ . 1 . 2 . ]" 1
122 1 18 MET QG 1 22 GLN QG 4.100 . 4.600 3.231 1.862 3.771 . 0 0 "[ . 1 . 2 . ]" 1
123 1 20 ASP HA 1 22 GLN H 4.500 . 5.000 3.955 3.674 4.303 . 0 0 "[ . 1 . 2 . ]" 1
124 1 21 GLY QA 1 22 GLN H 4.100 . 4.600 2.785 2.455 2.925 . 0 0 "[ . 1 . 2 . ]" 1
125 1 21 GLY H 1 22 GLN H 3.100 . 3.600 2.569 1.891 3.613 0.013 3 0 "[ . 1 . 2 . ]" 1
126 1 11 ILE MG 1 23 LEU QB 5.300 . 5.800 3.966 3.142 4.341 . 0 0 "[ . 1 . 2 . ]" 1
127 1 20 ASP HA 1 23 LEU H 4.500 . 5.000 4.977 4.433 5.185 0.185 1 0 "[ . 1 . 2 . ]" 1
128 1 22 GLN QB 1 23 LEU H 4.100 . 4.600 2.985 2.085 3.903 . 0 0 "[ . 1 . 2 . ]" 1
129 1 22 GLN H 1 23 LEU H 3.100 . 3.600 2.323 1.859 2.979 . 0 0 "[ . 1 . 2 . ]" 1
130 1 14 THR MG 1 23 LEU H 4.300 . 4.800 3.897 3.479 4.194 . 0 0 "[ . 1 . 2 . ]" 1
131 1 21 GLY QA 1 24 ASP QB 5.100 . 5.600 3.413 2.473 4.358 . 0 0 "[ . 1 . 2 . ]" 1
132 1 22 GLN QB 1 24 ASP H 5.500 . 6.000 4.441 3.470 5.155 . 0 0 "[ . 1 . 2 . ]" 1
133 1 21 GLY QA 1 24 ASP H 4.100 . 4.600 3.683 3.238 4.081 . 0 0 "[ . 1 . 2 . ]" 1
134 1 23 LEU HA 1 24 ASP H 3.100 . 3.600 2.999 2.378 3.446 . 0 0 "[ . 1 . 2 . ]" 1
135 1 23 LEU QB 1 24 ASP H 4.100 . 4.600 3.903 3.579 4.084 . 0 0 "[ . 1 . 2 . ]" 1
136 1 23 LEU H 1 24 ASP H 3.100 . 3.600 2.731 2.041 3.251 . 0 0 "[ . 1 . 2 . ]" 1
137 1 24 ASP HA 1 25 GLY H 4.500 . 5.000 3.388 3.283 3.549 . 0 0 "[ . 1 . 2 . ]" 1
138 1 24 ASP QB 1 25 GLY H 5.500 . 6.000 3.476 2.736 3.876 . 0 0 "[ . 1 . 2 . ]" 1
139 1 15 LEU MD1 1 26 LEU QD 7.000 . 7.500 4.414 4.094 4.614 . 0 0 "[ . 1 . 2 . ]" 1
140 1 23 LEU HA 1 26 LEU HG 4.000 . 4.500 3.345 2.178 4.447 . 0 0 "[ . 1 . 2 . ]" 1
141 1 26 LEU HA 1 26 LEU HG 3.100 . 3.600 2.802 2.148 3.428 . 0 0 "[ . 1 . 2 . ]" 1
142 1 26 LEU H 1 26 LEU HG 3.100 . 3.600 2.558 2.049 3.628 0.028 17 0 "[ . 1 . 2 . ]" 1
143 1 24 ASP HA 1 26 LEU H 4.000 . 4.500 3.492 3.276 3.707 . 0 0 "[ . 1 . 2 . ]" 1
144 1 24 ASP QB 1 26 LEU H 5.500 . 6.000 4.627 4.407 4.816 . 0 0 "[ . 1 . 2 . ]" 1
145 1 25 GLY QA 1 26 LEU H 5.000 . 5.500 2.831 2.760 2.921 . 0 0 "[ . 1 . 2 . ]" 1
146 1 25 GLY H 1 26 LEU H 2.300 . 2.800 2.821 2.606 2.910 0.110 26 0 "[ . 1 . 2 . ]" 1
147 1 23 LEU HA 1 26 LEU H 4.500 . 5.000 4.648 4.004 5.032 0.032 5 0 "[ . 1 . 2 . ]" 1
148 1 27 ALA H 1 27 ALA MB 3.400 . 3.900 2.267 2.054 2.453 . 0 0 "[ . 1 . 2 . ]" 1
149 1 26 LEU HA 1 27 ALA H 2.100 . 2.600 2.372 2.139 2.667 0.067 16 0 "[ . 1 . 2 . ]" 1
150 1 26 LEU QD 1 27 ALA H 6.700 . 7.200 3.333 2.733 4.022 . 0 0 "[ . 1 . 2 . ]" 1
151 1 6 PHE QD 1 28 PHE QB 8.900 . 9.400 3.928 3.072 4.913 . 0 0 "[ . 1 . 2 . ]" 1
152 1 27 ALA MB 1 28 PHE QD 5.800 . 6.300 2.747 2.371 3.318 . 0 0 "[ . 1 . 2 . ]" 1
153 1 27 ALA H 1 28 PHE QD 6.900 . 7.400 2.859 2.011 3.947 . 0 0 "[ . 1 . 2 . ]" 1
154 1 28 PHE H 1 28 PHE QD 4.700 . 5.200 2.542 1.879 2.969 . 0 0 "[ . 1 . 2 . ]" 1
155 1 6 PHE QD 1 28 PHE QD 7.900 . 8.400 3.767 3.618 4.096 . 0 0 "[ . 1 . 2 . ]" 1
156 1 6 PHE QE 1 28 PHE QD 7.900 . 8.400 3.023 1.884 3.994 . 0 0 "[ . 1 . 2 . ]" 1
157 1 5 ALA HA 1 28 PHE QE 6.400 . 6.900 7.035 5.848 7.914 1.014 8 6 "[ . -+ 1 . * * * *. ]" 1
158 1 11 ILE MD 1 28 PHE QE 5.800 . 6.300 2.117 1.804 3.631 . 0 0 "[ . 1 . 2 . ]" 1
159 1 26 LEU QB 1 28 PHE QE 6.500 . 7.000 2.811 1.918 3.605 . 0 0 "[ . 1 . 2 . ]" 1
160 1 4 VAL QG 1 28 PHE QE 9.100 . 9.600 4.278 2.093 4.753 . 0 0 "[ . 1 . 2 . ]" 1
161 1 27 ALA HA 1 28 PHE H 3.100 . 3.600 3.215 3.005 3.455 . 0 0 "[ . 1 . 2 . ]" 1
162 1 27 ALA MB 1 28 PHE H 4.300 . 4.800 3.362 3.012 3.557 . 0 0 "[ . 1 . 2 . ]" 1
163 1 27 ALA H 1 28 PHE H 3.100 . 3.600 2.519 1.999 2.727 . 0 0 "[ . 1 . 2 . ]" 1
164 1 26 LEU HA 1 28 PHE H 4.000 . 4.500 3.851 3.457 4.199 . 0 0 "[ . 1 . 2 . ]" 1
165 1 26 LEU QB 1 28 PHE H 4.100 . 4.600 2.274 2.060 2.490 . 0 0 "[ . 1 . 2 . ]" 1
166 1 9 GLU QB 1 28 PHE HZ 4.100 . 4.600 3.915 3.556 4.406 . 0 0 "[ . 1 . 2 . ]" 1
167 1 11 ILE MD 1 28 PHE HZ 3.400 . 3.900 2.172 1.761 3.460 0.039 3 0 "[ . 1 . 2 . ]" 1
168 1 26 LEU QB 1 28 PHE HZ 5.000 . 5.500 3.477 2.858 4.115 . 0 0 "[ . 1 . 2 . ]" 1
169 1 4 VAL QG 1 28 PHE HZ 5.800 . 6.300 4.519 3.998 4.731 . 0 0 "[ . 1 . 2 . ]" 1
170 1 28 PHE HA 1 29 GLY H 3.100 . 3.600 2.299 2.062 2.704 . 0 0 "[ . 1 . 2 . ]" 1
171 1 28 PHE QB 1 29 GLY H 4.100 . 4.600 2.884 1.895 3.448 . 0 0 "[ . 1 . 2 . ]" 1
172 1 28 PHE QD 1 29 GLY H 6.400 . 6.900 4.127 2.627 4.728 . 0 0 "[ . 1 . 2 . ]" 1
173 1 30 ALA H 1 30 ALA MB 3.400 . 3.900 2.451 2.251 2.692 . 0 0 "[ . 1 . 2 . ]" 1
174 1 11 ILE HB 1 30 ALA MB 4.300 . 4.800 4.015 3.927 4.099 . 0 0 "[ . 1 . 2 . ]" 1
175 1 11 ILE QG 1 30 ALA MB 5.300 . 5.800 3.758 3.378 4.277 . 0 0 "[ . 1 . 2 . ]" 1
176 1 15 LEU QB 1 30 ALA MB 5.300 . 5.800 4.020 3.613 4.252 . 0 0 "[ . 1 . 2 . ]" 1
177 1 15 LEU MD1 1 30 ALA MB 4.600 . 5.100 2.121 1.844 2.561 . 0 0 "[ . 1 . 2 . ]" 1
178 1 15 LEU MD2 1 30 ALA MB 4.600 . 5.100 1.833 1.675 2.040 0.125 2 0 "[ . 1 . 2 . ]" 1
179 1 29 GLY QA 1 30 ALA H 4.100 . 4.600 2.233 2.159 2.334 . 0 0 "[ . 1 . 2 . ]" 1
180 1 31 ILE H 1 31 ILE HB 4.000 . 4.500 3.754 3.667 3.872 . 0 0 "[ . 1 . 2 . ]" 1
181 1 31 ILE H 1 31 ILE QG 4.100 . 4.600 2.301 2.036 2.604 . 0 0 "[ . 1 . 2 . ]" 1
182 1 30 ALA HA 1 31 ILE H 2.100 . 2.600 2.237 2.171 2.348 . 0 0 "[ . 1 . 2 . ]" 1
183 1 30 ALA MB 1 31 ILE H 4.300 . 4.800 3.497 3.119 3.667 . 0 0 "[ . 1 . 2 . ]" 1
184 1 32 GLN H 1 32 GLN QG 4.100 . 4.600 3.139 1.902 3.972 . 0 0 "[ . 1 . 2 . ]" 1
185 1 31 ILE QG 1 32 GLN H 4.100 . 4.600 4.002 3.346 4.145 . 0 0 "[ . 1 . 2 . ]" 1
186 1 31 ILE QG 1 33 LEU MD1 5.300 . 5.800 3.893 3.576 4.228 . 0 0 "[ . 1 . 2 . ]" 1
187 1 33 LEU HA 1 33 LEU HG 3.100 . 3.600 2.863 2.670 3.106 . 0 0 "[ . 1 . 2 . ]" 1
188 1 33 LEU H 1 33 LEU HG 3.100 . 3.600 3.446 2.880 3.715 0.115 8 0 "[ . 1 . 2 . ]" 1
189 1 32 GLN HA 1 33 LEU H 3.100 . 3.600 2.506 2.423 2.593 . 0 0 "[ . 1 . 2 . ]" 1
190 1 33 LEU HA 1 34 ASP H 2.100 . 2.600 2.310 2.204 2.445 . 0 0 "[ . 1 . 2 . ]" 1
191 1 33 LEU QB 1 34 ASP H 3.300 . 3.800 2.827 2.472 3.060 . 0 0 "[ . 1 . 2 . ]" 1
192 1 34 ASP HA 1 35 GLY H 2.100 . 2.600 2.229 2.061 2.571 . 0 0 "[ . 1 . 2 . ]" 1
193 1 34 ASP QB 1 35 GLY H 3.100 . 3.600 3.175 2.802 3.509 . 0 0 "[ . 1 . 2 . ]" 1
194 1 36 ASP H 1 36 ASP QB 3.100 . 3.600 2.458 2.067 3.117 . 0 0 "[ . 1 . 2 . ]" 1
195 1 35 GLY QA 1 36 ASP H 4.100 . 4.600 2.499 2.305 2.941 . 0 0 "[ . 1 . 2 . ]" 1
196 1 35 GLY H 1 36 ASP H 3.100 . 3.600 3.650 2.974 3.991 0.391 20 0 "[ . 1 . 2 . ]" 1
197 1 33 LEU MD1 1 37 GLY HA3 4.300 . 4.800 3.520 3.233 3.856 . 0 0 "[ . 1 . 2 . ]" 1
198 1 37 GLY H 1 37 GLY HA2 2.100 . 2.600 2.386 2.342 2.448 . 0 0 "[ . 1 . 2 . ]" 1
199 1 33 LEU MD1 1 37 GLY HA2 3.400 . 3.900 2.689 2.177 3.090 . 0 0 "[ . 1 . 2 . ]" 1
200 1 33 LEU MD2 1 37 GLY HA2 3.400 . 3.900 2.742 2.331 3.102 . 0 0 "[ . 1 . 2 . ]" 1
201 1 36 ASP HA 1 37 GLY H 4.000 . 4.500 3.335 3.084 3.473 . 0 0 "[ . 1 . 2 . ]" 1
202 1 36 ASP QB 1 37 GLY H 4.100 . 4.600 3.280 2.975 3.650 . 0 0 "[ . 1 . 2 . ]" 1
203 1 36 ASP H 1 37 GLY H 2.100 . 2.600 2.455 1.823 2.751 0.151 5 0 "[ . 1 . 2 . ]" 1
204 1 35 GLY QA 1 37 GLY H 5.500 . 6.000 3.633 3.404 3.927 . 0 0 "[ . 1 . 2 . ]" 1
205 1 38 ASN H 1 38 ASN QB 3.100 . 3.600 2.444 2.109 2.823 . 0 0 "[ . 1 . 2 . ]" 1
206 1 34 ASP H 1 38 ASN H 3.100 . 3.600 2.572 2.247 2.794 . 0 0 "[ . 1 . 2 . ]" 1
207 1 36 ASP QB 1 38 ASN H 3.300 . 3.800 3.158 2.920 3.527 . 0 0 "[ . 1 . 2 . ]" 1
208 1 36 ASP H 1 38 ASN H 3.100 . 3.600 3.587 3.063 3.752 0.152 12 0 "[ . 1 . 2 . ]" 1
209 1 37 GLY HA2 1 38 ASN H 4.000 . 4.500 3.088 2.954 3.191 . 0 0 "[ . 1 . 2 . ]" 1
210 1 37 GLY H 1 38 ASN H 2.100 . 2.600 2.251 1.942 2.498 . 0 0 "[ . 1 . 2 . ]" 1
211 1 33 LEU HA 1 38 ASN H 4.500 . 5.000 4.160 3.888 4.606 . 0 0 "[ . 1 . 2 . ]" 1
212 1 34 ASP H 1 39 ILE HA 4.500 . 5.000 4.435 4.169 4.630 . 0 0 "[ . 1 . 2 . ]" 1
213 1 32 GLN H 1 39 ILE HA 4.500 . 5.000 3.985 3.604 4.341 . 0 0 "[ . 1 . 2 . ]" 1
214 1 33 LEU HA 1 39 ILE HA 2.100 . 2.600 2.744 2.621 2.819 0.219 11 0 "[ . 1 . 2 . ]" 1
215 1 33 LEU MD2 1 39 ILE HA 3.400 . 3.900 1.941 1.852 2.100 . 0 0 "[ . 1 . 2 . ]" 1
216 1 39 ILE H 1 39 ILE HB 4.000 . 4.500 2.140 2.083 2.333 . 0 0 "[ . 1 . 2 . ]" 1
217 1 38 ASN HA 1 39 ILE H 2.100 . 2.600 2.212 2.170 2.364 . 0 0 "[ . 1 . 2 . ]" 1
218 1 38 ASN QB 1 39 ILE H 3.100 . 3.600 3.158 3.041 3.288 . 0 0 "[ . 1 . 2 . ]" 1
219 1 40 LEU H 1 40 LEU QB 3.100 . 3.600 2.804 2.694 2.933 . 0 0 "[ . 1 . 2 . ]" 1
220 1 34 ASP HA 1 40 LEU MD1 4.300 . 4.800 3.090 2.770 3.478 . 0 0 "[ . 1 . 2 . ]" 1
221 1 34 ASP QB 1 40 LEU MD1 4.400 . 4.900 2.942 2.023 3.484 . 0 0 "[ . 1 . 2 . ]" 1
222 1 34 ASP H 1 40 LEU MD1 4.300 . 4.800 3.580 2.715 3.789 . 0 0 "[ . 1 . 2 . ]" 1
223 1 33 LEU H 1 40 LEU MD1 4.300 . 4.800 2.163 1.920 2.543 . 0 0 "[ . 1 . 2 . ]" 1
224 1 40 LEU H 1 40 LEU MD1 4.300 . 4.800 3.658 2.123 3.884 . 0 0 "[ . 1 . 2 . ]" 1
225 1 33 LEU H 1 40 LEU MD2 4.300 . 4.800 4.003 3.956 4.148 . 0 0 "[ . 1 . 2 . ]" 1
226 1 40 LEU H 1 40 LEU MD2 4.300 . 4.800 3.105 2.856 4.141 . 0 0 "[ . 1 . 2 . ]" 1
227 1 34 ASP H 1 40 LEU HG 3.100 . 3.600 3.638 3.488 3.696 0.096 26 0 "[ . 1 . 2 . ]" 1
228 1 33 LEU H 1 40 LEU HG 4.000 . 4.500 2.973 2.765 4.651 0.151 14 0 "[ . 1 . 2 . ]" 1
229 1 40 LEU HA 1 40 LEU HG 3.100 . 3.600 3.354 2.560 3.471 . 0 0 "[ . 1 . 2 . ]" 1
230 1 40 LEU H 1 40 LEU HG 4.000 . 4.500 2.149 2.015 3.032 . 0 0 "[ . 1 . 2 . ]" 1
231 1 34 ASP H 1 40 LEU H 4.500 . 5.000 4.939 4.694 5.062 0.062 12 0 "[ . 1 . 2 . ]" 1
232 1 32 GLN H 1 40 LEU H 4.500 . 5.000 3.055 2.879 3.299 . 0 0 "[ . 1 . 2 . ]" 1
233 1 39 ILE HA 1 40 LEU H 2.100 . 2.600 2.162 2.131 2.185 . 0 0 "[ . 1 . 2 . ]" 1
234 1 39 ILE QG 1 40 LEU H 4.100 . 4.600 2.720 2.157 3.142 . 0 0 "[ . 1 . 2 . ]" 1
235 1 33 LEU HA 1 40 LEU H 3.100 . 3.600 3.231 2.983 3.349 . 0 0 "[ . 1 . 2 . ]" 1
236 1 33 LEU MD2 1 40 LEU H 4.300 . 4.800 3.503 3.257 3.768 . 0 0 "[ . 1 . 2 . ]" 1
237 1 32 GLN H 1 41 GLN QB 5.000 . 5.500 3.802 3.155 4.615 . 0 0 "[ . 1 . 2 . ]" 1
238 1 32 GLN QG 1 41 GLN HE21 5.500 . 6.000 3.429 2.203 5.007 . 0 0 "[ . 1 . 2 . ]" 1
239 1 39 ILE QG 1 41 GLN HE21 5.500 . 6.000 4.674 3.951 5.321 . 0 0 "[ . 1 . 2 . ]" 1
240 1 32 GLN QG 1 41 GLN HE22 5.500 . 6.000 3.591 2.182 5.553 . 0 0 "[ . 1 . 2 . ]" 1
241 1 39 ILE QG 1 41 GLN HE22 5.500 . 6.000 5.398 5.188 5.607 . 0 0 "[ . 1 . 2 . ]" 1
242 1 32 GLN H 1 41 GLN H 3.100 . 3.600 2.476 2.218 2.769 . 0 0 "[ . 1 . 2 . ]" 1
243 1 39 ILE HA 1 41 GLN H 3.100 . 3.600 3.640 3.522 3.707 0.107 2 0 "[ . 1 . 2 . ]" 1
244 1 39 ILE QG 1 41 GLN H 4.100 . 4.600 2.907 2.177 3.532 . 0 0 "[ . 1 . 2 . ]" 1
245 1 33 LEU HA 1 41 GLN H 4.500 . 5.000 4.998 4.649 5.147 0.147 14 0 "[ . 1 . 2 . ]" 1
246 1 40 LEU HA 1 41 GLN H 4.000 . 4.500 3.487 3.450 3.529 . 0 0 "[ . 1 . 2 . ]" 1
247 1 40 LEU QB 1 41 GLN H 3.300 . 3.800 2.854 2.714 3.037 . 0 0 "[ . 1 . 2 . ]" 1
248 1 40 LEU MD1 1 41 GLN H 4.800 . 5.300 4.404 3.524 4.521 . 0 0 "[ . 1 . 2 . ]" 1
249 1 40 LEU H 1 41 GLN H 2.100 . 2.600 1.895 1.801 1.965 . 0 0 "[ . 1 . 2 . ]" 1
250 1 32 GLN H 1 42 TYR HA 4.500 . 5.000 3.887 3.517 4.180 . 0 0 "[ . 1 . 2 . ]" 1
251 1 31 ILE HA 1 42 TYR HA 2.100 . 2.600 2.267 1.928 2.502 . 0 0 "[ . 1 . 2 . ]" 1
252 1 39 ILE QG 1 42 TYR HB3 5.000 . 5.500 4.625 3.909 4.886 . 0 0 "[ . 1 . 2 . ]" 1
253 1 42 TYR H 1 42 TYR HB3 4.000 . 4.500 3.026 2.667 3.318 . 0 0 "[ . 1 . 2 . ]" 1
254 1 39 ILE QG 1 42 TYR HB2 4.100 . 4.600 3.078 2.278 3.479 . 0 0 "[ . 1 . 2 . ]" 1
255 1 42 TYR H 1 42 TYR HB2 4.000 . 4.500 2.983 2.607 3.234 . 0 0 "[ . 1 . 2 . ]" 1
256 1 31 ILE MG 1 42 TYR QD 6.700 . 7.200 2.210 1.839 2.546 . 0 0 "[ . 1 . 2 . ]" 1
257 1 39 ILE QG 1 42 TYR QD 6.500 . 7.000 2.556 1.890 3.599 . 0 0 "[ . 1 . 2 . ]" 1
258 1 31 ILE QG 1 42 TYR QE 6.500 . 7.000 3.648 3.216 3.830 . 0 0 "[ . 1 . 2 . ]" 1
259 1 31 ILE MG 1 42 TYR QE 5.800 . 6.300 2.032 1.776 2.461 0.024 12 0 "[ . 1 . 2 . ]" 1
260 1 41 GLN HA 1 42 TYR H 2.100 . 2.600 2.504 2.212 2.698 0.098 2 0 "[ . 1 . 2 . ]" 1
261 1 41 GLN HE22 1 42 TYR H 4.000 . 4.500 4.192 2.073 4.658 0.158 5 0 "[ . 1 . 2 . ]" 1
262 1 41 GLN QG 1 42 TYR H 5.000 . 5.500 2.778 1.811 4.199 . 0 0 "[ . 1 . 2 . ]" 1
263 1 31 ILE HA 1 42 TYR H 4.500 . 5.000 4.358 3.889 4.822 . 0 0 "[ . 1 . 2 . ]" 1
264 1 30 ALA H 1 43 ASN QB 5.500 . 6.000 2.960 1.814 3.456 . 0 0 "[ . 1 . 2 . ]" 1
265 1 24 ASP HA 1 43 ASN QB 3.100 . 3.600 2.763 1.999 3.236 . 0 0 "[ . 1 . 2 . ]" 1
266 1 42 TYR H 1 43 ASN QB 5.500 . 6.000 4.202 3.886 4.791 . 0 0 "[ . 1 . 2 . ]" 1
267 1 30 ALA MB 1 43 ASN HD21 4.800 . 5.300 3.627 2.806 3.948 . 0 0 "[ . 1 . 2 . ]" 1
268 1 26 LEU QB 1 43 ASN HD21 4.100 . 4.600 3.049 2.283 3.767 . 0 0 "[ . 1 . 2 . ]" 1
269 1 30 ALA MB 1 43 ASN HD22 4.800 . 5.300 4.217 4.022 4.346 . 0 0 "[ . 1 . 2 . ]" 1
270 1 30 ALA H 1 43 ASN HD22 3.100 . 3.600 3.106 2.821 3.751 0.151 19 0 "[ . 1 . 2 . ]" 1
271 1 29 GLY QA 1 43 ASN HD22 5.000 . 5.500 2.095 1.864 3.188 . 0 0 "[ . 1 . 2 . ]" 1
272 1 26 LEU QB 1 43 ASN HD22 4.100 . 4.600 3.153 2.532 3.739 . 0 0 "[ . 1 . 2 . ]" 1
273 1 42 TYR HA 1 43 ASN H 4.000 . 4.500 3.554 3.455 3.573 . 0 0 "[ . 1 . 2 . ]" 1
274 1 44 ALA HA 1 44 ALA MB 2.400 . 2.900 2.122 2.098 2.148 . 0 0 "[ . 1 . 2 . ]" 1
275 1 44 ALA H 1 44 ALA MB 3.400 . 3.900 2.249 2.096 2.333 . 0 0 "[ . 1 . 2 . ]" 1
276 1 24 ASP HA 1 44 ALA MB 4.300 . 4.800 3.601 3.059 3.872 . 0 0 "[ . 1 . 2 . ]" 1
277 1 24 ASP QB 1 44 ALA MB 4.400 . 4.900 2.383 1.887 3.320 . 0 0 "[ . 1 . 2 . ]" 1
278 1 43 ASN HA 1 44 ALA H 2.100 . 2.600 2.540 2.212 2.713 0.113 22 0 "[ . 1 . 2 . ]" 1
279 1 43 ASN QB 1 44 ALA H 3.100 . 3.600 2.670 2.221 3.560 . 0 0 "[ . 1 . 2 . ]" 1
280 1 43 ASN HD21 1 44 ALA H 4.500 . 5.000 4.053 3.593 4.961 . 0 0 "[ . 1 . 2 . ]" 1
281 1 24 ASP HA 1 44 ALA H 4.000 . 4.500 2.692 1.895 3.225 . 0 0 "[ . 1 . 2 . ]" 1
282 1 27 ALA HA 1 45 ALA MB 4.300 . 4.800 3.530 2.916 4.011 . 0 0 "[ . 1 . 2 . ]" 1
283 1 45 ALA HA 1 45 ALA MB 2.400 . 2.900 2.127 2.108 2.152 . 0 0 "[ . 1 . 2 . ]" 1
284 1 45 ALA H 1 45 ALA MB 3.400 . 3.900 2.156 2.055 2.290 . 0 0 "[ . 1 . 2 . ]" 1
285 1 43 ASN HD21 1 45 ALA MB 4.300 . 4.800 2.950 2.401 3.958 . 0 0 "[ . 1 . 2 . ]" 1
286 1 43 ASN HD22 1 45 ALA MB 4.300 . 4.800 1.996 1.765 2.742 0.035 24 0 "[ . 1 . 2 . ]" 1
287 1 29 GLY QA 1 45 ALA MB 5.300 . 5.800 2.674 1.928 3.396 . 0 0 "[ . 1 . 2 . ]" 1
288 1 28 PHE HA 1 45 ALA MB 4.300 . 4.800 3.897 3.574 4.056 . 0 0 "[ . 1 . 2 . ]" 1
289 1 28 PHE H 1 45 ALA MB 4.300 . 4.800 3.416 2.791 3.887 . 0 0 "[ . 1 . 2 . ]" 1
290 1 44 ALA HA 1 45 ALA H 4.000 . 4.500 3.515 3.434 3.600 . 0 0 "[ . 1 . 2 . ]" 1
291 1 44 ALA MB 1 45 ALA H 3.400 . 3.900 2.840 2.148 3.142 . 0 0 "[ . 1 . 2 . ]" 1
292 1 44 ALA H 1 45 ALA H 3.100 . 3.600 2.473 2.309 2.813 . 0 0 "[ . 1 . 2 . ]" 1
293 1 43 ASN QB 1 45 ALA H 5.000 . 5.500 3.593 3.036 4.492 . 0 0 "[ . 1 . 2 . ]" 1
294 1 43 ASN HD22 1 45 ALA H 3.100 . 3.600 3.025 2.493 3.645 0.045 23 0 "[ . 1 . 2 . ]" 1
295 1 24 ASP HA 1 45 ALA H 3.100 . 3.600 3.213 2.759 3.698 0.098 23 0 "[ . 1 . 2 . ]" 1
296 1 46 GLU H 1 46 GLU HB3 3.100 . 3.600 2.865 2.125 3.230 . 0 0 "[ . 1 . 2 . ]" 1
297 1 29 GLY QA 1 46 GLU HB3 5.000 . 5.500 1.946 1.803 2.216 . 0 0 "[ . 1 . 2 . ]" 1
298 1 46 GLU H 1 46 GLU HB2 3.100 . 3.600 3.595 3.438 3.634 0.034 24 0 "[ . 1 . 2 . ]" 1
299 1 42 TYR QD 1 46 GLU HB2 6.400 . 6.900 4.603 4.520 4.912 . 0 0 "[ . 1 . 2 . ]" 1
300 1 45 ALA HA 1 46 GLU H 4.500 . 5.000 3.558 3.515 3.603 . 0 0 "[ . 1 . 2 . ]" 1
301 1 45 ALA MB 1 46 GLU H 3.400 . 3.900 2.107 1.917 2.340 . 0 0 "[ . 1 . 2 . ]" 1
302 1 45 ALA H 1 46 GLU H 4.500 . 5.000 3.096 2.983 3.372 . 0 0 "[ . 1 . 2 . ]" 1
303 1 47 GLY H 1 47 GLY HA3 2.300 . 2.800 2.355 2.340 2.367 . 0 0 "[ . 1 . 2 . ]" 1
304 1 42 TYR QE 1 47 GLY HA2 5.500 . 6.000 2.665 1.946 3.707 . 0 0 "[ . 1 . 2 . ]" 1
305 1 44 ALA HA 1 47 GLY H 3.100 . 3.600 3.578 3.343 3.714 0.114 22 0 "[ . 1 . 2 . ]" 1
306 1 45 ALA MB 1 47 GLY H 4.800 . 5.300 4.355 4.138 4.520 . 0 0 "[ . 1 . 2 . ]" 1
307 1 46 GLU HB3 1 47 GLY H 3.100 . 3.600 3.852 3.396 3.983 0.383 16 0 "[ . 1 . 2 . ]" 1
308 1 42 TYR QD 1 47 GLY H 6.400 . 6.900 3.382 2.956 3.893 . 0 0 "[ . 1 . 2 . ]" 1
309 1 42 TYR QE 1 47 GLY H 6.400 . 6.900 2.949 2.071 4.506 . 0 0 "[ . 1 . 2 . ]" 1
310 1 45 ALA HA 1 48 ASP QB 4.100 . 4.600 2.794 2.503 3.037 . 0 0 "[ . 1 . 2 . ]" 1
311 1 48 ASP H 1 48 ASP QB 3.300 . 3.800 2.230 2.100 2.328 . 0 0 "[ . 1 . 2 . ]" 1
312 1 45 ALA HA 1 48 ASP H 3.100 . 3.600 3.703 3.612 3.765 0.165 12 0 "[ . 1 . 2 . ]" 1
313 1 46 GLU HA 1 48 ASP H 3.100 . 3.600 3.686 3.641 3.723 0.123 2 0 "[ . 1 . 2 . ]" 1
314 1 47 GLY HA3 1 48 ASP H 4.500 . 5.000 3.166 3.129 3.211 . 0 0 "[ . 1 . 2 . ]" 1
315 1 47 GLY HA2 1 48 ASP H 4.500 . 5.000 3.455 3.433 3.475 . 0 0 "[ . 1 . 2 . ]" 1
316 1 47 GLY H 1 48 ASP H 2.300 . 2.800 2.740 2.679 2.790 . 0 0 "[ . 1 . 2 . ]" 1
317 1 46 GLU HA 1 49 ILE HB 3.100 . 3.600 3.135 2.612 3.612 0.012 14 0 "[ . 1 . 2 . ]" 1
318 1 49 ILE HA 1 49 ILE HB 2.100 . 2.600 2.876 2.833 2.982 0.382 23 0 "[ . 1 . 2 . ]" 1
319 1 49 ILE H 1 49 ILE HB 2.300 . 2.800 2.080 2.010 2.403 . 0 0 "[ . 1 . 2 . ]" 1
320 1 49 ILE H 1 49 ILE QG 4.100 . 4.600 3.553 2.155 3.892 . 0 0 "[ . 1 . 2 . ]" 1
321 1 49 ILE H 1 49 ILE MG 3.400 . 3.900 3.345 3.222 3.698 . 0 0 "[ . 1 . 2 . ]" 1
322 1 48 ASP HA 1 49 ILE H 4.500 . 5.000 3.532 3.481 3.575 . 0 0 "[ . 1 . 2 . ]" 1
323 1 48 ASP QB 1 49 ILE H 4.100 . 4.600 2.744 2.557 2.979 . 0 0 "[ . 1 . 2 . ]" 1
324 1 48 ASP H 1 49 ILE H 2.300 . 2.800 2.398 2.241 2.574 . 0 0 "[ . 1 . 2 . ]" 1
325 1 47 GLY HA3 1 49 ILE H 4.500 . 5.000 4.892 4.728 5.038 0.038 23 0 "[ . 1 . 2 . ]" 1
326 1 47 GLY HA2 1 49 ILE H 4.500 . 5.000 4.286 4.138 4.466 . 0 0 "[ . 1 . 2 . ]" 1
327 1 50 THR HA 1 50 THR MG 3.400 . 3.900 2.729 2.350 3.174 . 0 0 "[ . 1 . 2 . ]" 1
328 1 50 THR H 1 50 THR MG 3.400 . 3.900 2.011 1.733 2.349 0.067 9 0 "[ . 1 . 2 . ]" 1
329 1 47 GLY HA2 1 50 THR H 3.100 . 3.600 3.685 3.585 3.756 0.156 10 0 "[ . 1 . 2 . ]" 1
330 1 49 ILE HA 1 50 THR H 4.500 . 5.000 3.553 3.486 3.600 . 0 0 "[ . 1 . 2 . ]" 1
331 1 49 ILE HB 1 50 THR H 2.300 . 2.800 2.930 2.797 3.066 0.266 5 0 "[ . 1 . 2 . ]" 1
332 1 49 ILE QG 1 50 THR H 5.000 . 5.500 4.395 4.052 4.558 . 0 0 "[ . 1 . 2 . ]" 1
333 1 49 ILE MG 1 50 THR H 4.800 . 5.300 2.367 1.899 3.652 . 0 0 "[ . 1 . 2 . ]" 1
334 1 49 ILE H 1 50 THR H 3.100 . 3.600 2.522 2.312 2.732 . 0 0 "[ . 1 . 2 . ]" 1
335 1 51 GLY H 1 51 GLY HA3 2.300 . 2.800 2.935 2.904 2.957 0.157 1 0 "[ . 1 . 2 . ]" 1
336 1 51 GLY H 1 51 GLY HA2 2.300 . 2.800 2.396 2.357 2.438 . 0 0 "[ . 1 . 2 . ]" 1
337 1 47 GLY HA2 1 51 GLY H 4.000 . 4.500 2.997 2.543 3.490 . 0 0 "[ . 1 . 2 . ]" 1
338 1 50 THR HA 1 51 GLY H 4.500 . 5.000 3.429 3.269 3.522 . 0 0 "[ . 1 . 2 . ]" 1
339 1 50 THR MG 1 51 GLY H 4.800 . 5.300 3.519 2.316 3.965 . 0 0 "[ . 1 . 2 . ]" 1
340 1 50 THR H 1 51 GLY H 2.100 . 2.600 2.350 1.964 2.568 . 0 0 "[ . 1 . 2 . ]" 1
341 1 47 GLY HA3 1 52 ARG HB3 4.000 . 4.500 4.124 3.582 4.615 0.115 23 0 "[ . 1 . 2 . ]" 1
342 1 47 GLY HA2 1 52 ARG HB3 4.000 . 4.500 3.463 3.012 3.944 . 0 0 "[ . 1 . 2 . ]" 1
343 1 42 TYR QE 1 52 ARG HB3 6.400 . 6.900 2.485 1.961 3.305 . 0 0 "[ . 1 . 2 . ]" 1
344 1 47 GLY HA3 1 52 ARG HB2 4.000 . 4.500 3.750 3.412 4.253 . 0 0 "[ . 1 . 2 . ]" 1
345 1 42 TYR QE 1 52 ARG HB2 6.400 . 6.900 2.376 2.021 2.846 . 0 0 "[ . 1 . 2 . ]" 1
346 1 52 ARG HA 1 52 ARG QD 4.100 . 4.600 3.639 3.344 3.987 . 0 0 "[ . 1 . 2 . ]" 1
347 1 52 ARG H 1 52 ARG QD 5.000 . 5.500 3.952 2.859 4.617 . 0 0 "[ . 1 . 2 . ]" 1
348 1 42 TYR QE 1 52 ARG HE 6.400 . 6.900 3.981 3.139 4.535 . 0 0 "[ . 1 . 2 . ]" 1
349 1 47 GLY HA2 1 52 ARG QG 4.100 . 4.600 4.259 4.149 4.511 . 0 0 "[ . 1 . 2 . ]" 1
350 1 50 THR MG 1 52 ARG QG 5.300 . 5.800 3.896 2.851 4.299 . 0 0 "[ . 1 . 2 . ]" 1
351 1 42 TYR QD 1 52 ARG QG 8.900 . 9.400 5.162 4.055 5.478 . 0 0 "[ . 1 . 2 . ]" 1
352 1 42 TYR QE 1 52 ARG QG 7.400 . 7.900 3.870 2.775 4.286 . 0 0 "[ . 1 . 2 . ]" 1
353 1 47 GLY HA2 1 52 ARG H 3.100 . 3.600 2.348 2.019 2.641 . 0 0 "[ . 1 . 2 . ]" 1
354 1 51 GLY HA3 1 52 ARG H 4.500 . 5.000 3.239 3.080 3.296 . 0 0 "[ . 1 . 2 . ]" 1
355 1 51 GLY HA2 1 52 ARG H 3.100 . 3.600 3.368 3.321 3.452 . 0 0 "[ . 1 . 2 . ]" 1
356 1 51 GLY H 1 52 ARG H 3.100 . 3.600 2.532 2.316 2.691 . 0 0 "[ . 1 . 2 . ]" 1
357 1 50 THR H 1 52 ARG H 4.500 . 5.000 3.742 3.329 4.139 . 0 0 "[ . 1 . 2 . ]" 1
358 1 42 TYR QD 1 53 ASP HA 6.400 . 6.900 4.244 3.442 4.568 . 0 0 "[ . 1 . 2 . ]" 1
359 1 53 ASP H 1 53 ASP QB 3.100 . 3.600 2.362 2.052 3.131 . 0 0 "[ . 1 . 2 . ]" 1
360 1 52 ARG HA 1 53 ASP H 4.000 . 4.500 2.493 2.176 3.609 . 0 0 "[ . 1 . 2 . ]" 1
361 1 52 ARG HB3 1 53 ASP H 4.000 . 4.500 3.692 2.379 4.152 . 0 0 "[ . 1 . 2 . ]" 1
362 1 52 ARG HB2 1 53 ASP H 4.000 . 4.500 4.248 2.519 4.627 0.127 11 0 "[ . 1 . 2 . ]" 1
363 1 42 TYR HB3 1 54 PRO HA 5.500 . 6.000 2.513 2.013 2.877 . 0 0 "[ . 1 . 2 . ]" 1
364 1 42 TYR H 1 54 PRO QB 4.100 . 4.600 3.603 2.058 4.171 . 0 0 "[ . 1 . 2 . ]" 1
365 1 55 LYS H 1 55 LYS HA 2.300 . 2.800 2.870 2.781 2.936 0.136 7 0 "[ . 1 . 2 . ]" 1
366 1 55 LYS H 1 55 LYS QG 4.100 . 4.600 2.916 1.905 4.051 . 0 0 "[ . 1 . 2 . ]" 1
367 1 53 ASP HA 1 55 LYS H 4.500 . 5.000 4.600 4.236 4.930 . 0 0 "[ . 1 . 2 . ]" 1
368 1 54 PRO HA 1 55 LYS H 3.100 . 3.600 3.578 3.529 3.598 . 0 0 "[ . 1 . 2 . ]" 1
369 1 54 PRO QB 1 55 LYS H 5.500 . 6.000 2.867 2.393 3.244 . 0 0 "[ . 1 . 2 . ]" 1
370 1 53 ASP HA 1 56 GLN QB 5.000 . 5.500 4.525 4.153 4.849 . 0 0 "[ . 1 . 2 . ]" 1
371 1 53 ASP QB 1 56 GLN QB 5.100 . 5.600 2.199 1.803 2.978 . 0 0 "[ . 1 . 2 . ]" 1
372 1 56 GLN H 1 56 GLN QG 4.100 . 4.600 3.768 2.155 4.120 . 0 0 "[ . 1 . 2 . ]" 1
373 1 53 ASP QB 1 56 GLN H 4.100 . 4.600 2.478 1.924 2.820 . 0 0 "[ . 1 . 2 . ]" 1
374 1 55 LYS HA 1 56 GLN H 3.100 . 3.600 3.483 3.445 3.532 . 0 0 "[ . 1 . 2 . ]" 1
375 1 55 LYS QB 1 56 GLN H 4.100 . 4.600 3.186 2.700 3.703 . 0 0 "[ . 1 . 2 . ]" 1
376 1 54 PRO HA 1 56 GLN H 4.000 . 4.500 4.157 3.849 4.497 . 0 0 "[ . 1 . 2 . ]" 1
377 1 57 VAL H 1 57 VAL HB 4.000 . 4.500 3.639 3.617 3.683 . 0 0 "[ . 1 . 2 . ]" 1
378 1 52 ARG HB2 1 57 VAL MG1 4.300 . 4.800 3.465 3.149 3.826 . 0 0 "[ . 1 . 2 . ]" 1
379 1 52 ARG QG 1 57 VAL MG1 4.400 . 4.900 2.413 1.809 2.867 . 0 0 "[ . 1 . 2 . ]" 1
380 1 54 PRO HA 1 57 VAL MG1 4.300 . 4.800 3.818 3.531 3.941 . 0 0 "[ . 1 . 2 . ]" 1
381 1 57 VAL HA 1 57 VAL MG1 2.400 . 2.900 2.366 2.167 2.440 . 0 0 "[ . 1 . 2 . ]" 1
382 1 57 VAL HB 1 57 VAL MG1 2.400 . 2.900 2.123 2.104 2.144 . 0 0 "[ . 1 . 2 . ]" 1
383 1 57 VAL H 1 57 VAL MG1 4.300 . 4.800 2.224 2.023 2.501 . 0 0 "[ . 1 . 2 . ]" 1
384 1 39 ILE QG 1 57 VAL MG2 4.400 . 4.900 2.610 2.120 3.006 . 0 0 "[ . 1 . 2 . ]" 1
385 1 54 PRO HA 1 57 VAL MG2 3.400 . 3.900 2.094 1.847 2.227 . 0 0 "[ . 1 . 2 . ]" 1
386 1 54 PRO QB 1 57 VAL MG2 4.400 . 4.900 3.596 3.371 3.722 . 0 0 "[ . 1 . 2 . ]" 1
387 1 42 TYR HB3 1 57 VAL MG2 3.400 . 3.900 2.937 2.427 3.309 . 0 0 "[ . 1 . 2 . ]" 1
388 1 42 TYR HB2 1 57 VAL MG2 4.300 . 4.800 2.280 1.809 2.676 . 0 0 "[ . 1 . 2 . ]" 1
389 1 42 TYR QD 1 57 VAL MG2 5.800 . 6.300 2.891 2.410 3.356 . 0 0 "[ . 1 . 2 . ]" 1
390 1 42 TYR QE 1 57 VAL MG2 6.700 . 7.200 3.846 3.377 4.543 . 0 0 "[ . 1 . 2 . ]" 1
391 1 57 VAL HA 1 57 VAL MG2 3.400 . 3.900 3.185 3.169 3.199 . 0 0 "[ . 1 . 2 . ]" 1
392 1 57 VAL H 1 57 VAL MG2 3.400 . 3.900 1.963 1.871 2.169 . 0 0 "[ . 1 . 2 . ]" 1
393 1 56 GLN HA 1 57 VAL H 4.000 . 4.500 3.560 3.524 3.576 . 0 0 "[ . 1 . 2 . ]" 1
394 1 56 GLN QB 1 57 VAL H 4.100 . 4.600 2.567 2.430 2.902 . 0 0 "[ . 1 . 2 . ]" 1
395 1 56 GLN H 1 57 VAL H 2.100 . 2.600 2.443 2.287 2.608 0.008 8 0 "[ . 1 . 2 . ]" 1
396 1 54 PRO HA 1 57 VAL H 4.500 . 5.000 3.663 3.373 3.921 . 0 0 "[ . 1 . 2 . ]" 1
397 1 39 ILE HB 1 58 ILE HA 3.100 . 3.600 3.719 3.445 3.825 0.225 12 0 "[ . 1 . 2 . ]" 1
398 1 56 GLN HA 1 58 ILE HB 4.000 . 4.500 4.561 4.518 4.603 0.103 18 0 "[ . 1 . 2 . ]" 1
399 1 58 ILE H 1 58 ILE HB 2.100 . 2.600 2.111 2.083 2.154 . 0 0 "[ . 1 . 2 . ]" 1
400 1 55 LYS HA 1 58 ILE HB 2.100 . 2.600 2.631 2.490 2.697 0.097 11 0 "[ . 1 . 2 . ]" 1
401 1 58 ILE H 1 58 ILE QG 4.100 . 4.600 3.160 3.029 3.326 . 0 0 "[ . 1 . 2 . ]" 1
402 1 57 VAL MG2 1 58 ILE QG 4.400 . 4.900 3.246 3.125 3.320 . 0 0 "[ . 1 . 2 . ]" 1
403 1 56 GLN HA 1 58 ILE H 4.500 . 5.000 3.662 3.515 3.737 . 0 0 "[ . 1 . 2 . ]" 1
404 1 56 GLN QG 1 58 ILE H 5.500 . 6.000 4.973 4.648 5.310 . 0 0 "[ . 1 . 2 . ]" 1
405 1 56 GLN H 1 58 ILE H 4.000 . 4.500 3.639 3.451 3.814 . 0 0 "[ . 1 . 2 . ]" 1
406 1 55 LYS HA 1 58 ILE H 4.500 . 5.000 3.693 3.430 3.855 . 0 0 "[ . 1 . 2 . ]" 1
407 1 57 VAL HA 1 58 ILE H 3.100 . 3.600 3.340 3.181 3.410 . 0 0 "[ . 1 . 2 . ]" 1
408 1 57 VAL MG2 1 58 ILE H 3.400 . 3.900 2.664 2.406 3.021 . 0 0 "[ . 1 . 2 . ]" 1
409 1 57 VAL H 1 58 ILE H 2.100 . 2.600 2.611 2.587 2.645 0.045 8 0 "[ . 1 . 2 . ]" 1
410 1 59 GLY H 1 59 GLY HA2 2.100 . 2.600 2.414 2.397 2.439 . 0 0 "[ . 1 . 2 . ]" 1
411 1 39 ILE HB 1 59 GLY H 3.100 . 3.600 3.614 3.343 3.693 0.093 3 0 "[ . 1 . 2 . ]" 1
412 1 58 ILE HA 1 59 GLY H 2.100 . 2.600 2.138 2.114 2.152 . 0 0 "[ . 1 . 2 . ]" 1
413 1 58 ILE QG 1 59 GLY H 3.300 . 3.800 3.536 3.422 3.612 . 0 0 "[ . 1 . 2 . ]" 1
414 1 60 LYS H 1 60 LYS QB 3.100 . 3.600 2.588 2.442 2.887 . 0 0 "[ . 1 . 2 . ]" 1
415 1 57 VAL HA 1 60 LYS QE 4.000 . 4.500 3.721 3.358 4.084 . 0 0 "[ . 1 . 2 . ]" 1
416 1 60 LYS H 1 60 LYS QG 4.100 . 4.600 1.997 1.812 2.224 . 0 0 "[ . 1 . 2 . ]" 1
417 1 57 VAL HA 1 60 LYS QG 5.000 . 5.500 1.931 1.786 2.037 0.014 11 0 "[ . 1 . 2 . ]" 1
418 1 57 VAL HB 1 60 LYS QG 4.100 . 4.600 3.795 2.935 4.053 . 0 0 "[ . 1 . 2 . ]" 1
419 1 57 VAL MG1 1 60 LYS QG 4.400 . 4.900 3.494 3.337 3.563 . 0 0 "[ . 1 . 2 . ]" 1
420 1 57 VAL H 1 60 LYS QG 5.000 . 5.500 4.107 3.905 4.326 . 0 0 "[ . 1 . 2 . ]" 1
421 1 59 GLY HA3 1 60 LYS H 3.100 . 3.600 3.116 3.018 3.204 . 0 0 "[ . 1 . 2 . ]" 1
422 1 59 GLY HA2 1 60 LYS H 3.100 . 3.600 3.448 3.420 3.471 . 0 0 "[ . 1 . 2 . ]" 1
423 1 59 GLY H 1 60 LYS H 2.100 . 2.600 2.641 2.603 2.675 0.075 5 0 "[ . 1 . 2 . ]" 1
424 1 39 ILE H 1 60 LYS H 4.500 . 5.000 4.124 3.785 4.540 . 0 0 "[ . 1 . 2 . ]" 1
425 1 58 ILE HA 1 60 LYS H 3.100 . 3.600 3.417 3.370 3.498 . 0 0 "[ . 1 . 2 . ]" 1
426 1 57 VAL HA 1 60 LYS H 3.100 . 3.600 3.647 3.559 3.850 0.250 11 0 "[ . 1 . 2 . ]" 1
427 1 38 ASN HA 1 61 ASN HA 2.100 . 2.600 2.578 2.387 2.711 0.111 2 0 "[ . 1 . 2 . ]" 1
428 1 61 ASN HA 1 61 ASN HD22 3.100 . 3.600 3.376 3.202 3.572 . 0 0 "[ . 1 . 2 . ]" 1
429 1 39 ILE H 1 61 ASN HA 4.000 . 4.500 3.542 3.028 3.951 . 0 0 "[ . 1 . 2 . ]" 1
430 1 61 ASN H 1 61 ASN QB 3.100 . 3.600 2.140 2.068 2.419 . 0 0 "[ . 1 . 2 . ]" 1
431 1 38 ASN QB 1 61 ASN HD21 5.500 . 6.000 3.952 2.916 4.481 . 0 0 "[ . 1 . 2 . ]" 1
432 1 38 ASN H 1 61 ASN HD21 4.500 . 5.000 4.523 3.768 5.028 0.028 4 0 "[ . 1 . 2 . ]" 1
433 1 60 LYS HA 1 61 ASN HD21 4.500 . 5.000 4.589 3.761 5.034 0.034 13 0 "[ . 1 . 2 . ]" 1
434 1 38 ASN HA 1 61 ASN HD22 4.000 . 4.500 3.375 2.596 4.219 . 0 0 "[ . 1 . 2 . ]" 1
435 1 38 ASN QB 1 61 ASN HD22 5.000 . 5.500 3.926 2.538 4.816 . 0 0 "[ . 1 . 2 . ]" 1
436 1 38 ASN H 1 61 ASN HD22 4.000 . 4.500 3.849 3.196 4.531 0.031 13 0 "[ . 1 . 2 . ]" 1
437 1 60 LYS HA 1 61 ASN H 2.100 . 2.600 2.240 2.198 2.435 . 0 0 "[ . 1 . 2 . ]" 1
438 1 60 LYS QB 1 61 ASN H 4.100 . 4.600 3.035 2.316 3.253 . 0 0 "[ . 1 . 2 . ]" 1
439 1 33 LEU MD1 1 62 PHE QB 5.300 . 5.800 2.339 1.725 3.055 0.075 4 0 "[ . 1 . 2 . ]" 1
440 1 33 LEU MD2 1 62 PHE QB 4.400 . 4.900 2.032 1.687 2.602 0.113 12 0 "[ . 1 . 2 . ]" 1
441 1 62 PHE H 1 62 PHE QB 3.100 . 3.600 2.250 2.174 2.321 . 0 0 "[ . 1 . 2 . ]" 1
442 1 33 LEU MD1 1 62 PHE QD 6.700 . 7.200 2.352 1.777 2.897 0.023 21 0 "[ . 1 . 2 . ]" 1
443 1 38 ASN HA 1 62 PHE H 3.100 . 3.600 3.638 3.507 3.727 0.127 3 0 "[ . 1 . 2 . ]" 1
444 1 61 ASN HA 1 62 PHE H 2.100 . 2.600 2.217 2.158 2.287 . 0 0 "[ . 1 . 2 . ]" 1
445 1 39 ILE QG 1 62 PHE H 5.500 . 6.000 5.017 4.307 5.479 . 0 0 "[ . 1 . 2 . ]" 1
446 1 39 ILE H 1 62 PHE H 4.000 . 4.500 3.626 3.276 4.117 . 0 0 "[ . 1 . 2 . ]" 1
447 1 33 LEU MD2 1 62 PHE H 4.300 . 4.800 2.597 2.052 3.107 . 0 0 "[ . 1 . 2 . ]" 1
448 1 62 PHE QD 1 63 PHE HA 5.500 . 6.000 3.764 3.522 4.020 . 0 0 "[ . 1 . 2 . ]" 1
449 1 63 PHE H 1 63 PHE QB 3.300 . 3.800 2.323 2.130 2.576 . 0 0 "[ . 1 . 2 . ]" 1
450 1 37 GLY HA3 1 63 PHE QD 5.500 . 6.000 2.839 1.921 3.595 . 0 0 "[ . 1 . 2 . ]" 1
451 1 37 GLY HA2 1 63 PHE QD 6.400 . 6.900 3.224 2.550 3.992 . 0 0 "[ . 1 . 2 . ]" 1
452 1 62 PHE QD 1 63 PHE QD 7.900 . 8.400 3.290 2.702 3.697 . 0 0 "[ . 1 . 2 . ]" 1
453 1 62 PHE QE 1 63 PHE QD 8.800 . 9.300 4.332 3.561 4.551 . 0 0 "[ . 1 . 2 . ]" 1
454 1 33 LEU MD1 1 63 PHE QE 5.800 . 6.300 1.960 1.784 2.226 0.016 22 0 "[ . 1 . 2 . ]" 1
455 1 62 PHE QD 1 63 PHE QE 7.900 . 8.400 3.193 2.574 3.649 . 0 0 "[ . 1 . 2 . ]" 1
456 1 33 LEU MD1 1 63 PHE H 4.800 . 5.300 4.032 3.287 4.249 . 0 0 "[ . 1 . 2 . ]" 1
457 1 33 LEU MD2 1 63 PHE H 4.800 . 5.300 3.893 3.259 4.185 . 0 0 "[ . 1 . 2 . ]" 1
458 1 62 PHE HA 1 63 PHE H 4.000 . 4.500 3.449 3.338 3.593 . 0 0 "[ . 1 . 2 . ]" 1
459 1 62 PHE QB 1 63 PHE H 4.100 . 4.600 3.062 2.637 3.364 . 0 0 "[ . 1 . 2 . ]" 1
460 1 62 PHE QD 1 63 PHE H 6.900 . 7.400 3.961 3.527 4.333 . 0 0 "[ . 1 . 2 . ]" 1
461 1 62 PHE H 1 63 PHE H 3.100 . 3.600 2.752 2.570 3.022 . 0 0 "[ . 1 . 2 . ]" 1
462 1 61 ASN QB 1 64 LYS QB 5.100 . 5.600 2.765 1.772 4.130 0.028 12 0 "[ . 1 . 2 . ]" 1
463 1 64 LYS H 1 64 LYS QB 3.100 . 3.600 2.805 2.298 3.183 . 0 0 "[ . 1 . 2 . ]" 1
464 1 61 ASN QB 1 64 LYS H 5.000 . 5.500 2.440 1.912 3.333 . 0 0 "[ . 1 . 2 . ]" 1
465 1 63 PHE HA 1 64 LYS H 4.000 . 4.500 3.319 2.894 3.607 . 0 0 "[ . 1 . 2 . ]" 1
466 1 63 PHE QB 1 64 LYS H 4.100 . 4.600 3.250 2.267 3.821 . 0 0 "[ . 1 . 2 . ]" 1
467 1 63 PHE H 1 64 LYS H 2.100 . 2.600 2.496 2.136 2.710 0.110 20 0 "[ . 1 . 2 . ]" 1
468 1 61 ASN H 1 65 ASP QB 4.100 . 4.600 2.146 1.812 3.367 . 0 0 "[ . 1 . 2 . ]" 1
469 1 60 LYS QB 1 65 ASP QB 5.100 . 5.600 2.586 2.007 3.202 . 0 0 "[ . 1 . 2 . ]" 1
470 1 60 LYS QD 1 65 ASP QB 5.100 . 5.600 3.308 2.075 4.099 . 0 0 "[ . 1 . 2 . ]" 1
471 1 61 ASN QB 1 65 ASP H 4.100 . 4.600 2.985 2.079 4.068 . 0 0 "[ . 1 . 2 . ]" 1
472 1 64 LYS HA 1 65 ASP H 3.100 . 3.600 3.191 2.699 3.605 0.005 12 0 "[ . 1 . 2 . ]" 1
473 1 64 LYS QB 1 65 ASP H 4.100 . 4.600 3.231 2.152 4.049 . 0 0 "[ . 1 . 2 . ]" 1
474 1 64 LYS H 1 65 ASP H 2.100 . 2.600 2.401 1.917 2.686 0.086 11 0 "[ . 1 . 2 . ]" 1
475 1 62 PHE HA 1 66 VAL HB 2.100 . 2.600 1.952 1.735 2.646 0.065 24 0 "[ . 1 . 2 . ]" 1
476 1 62 PHE QD 1 66 VAL HB 5.500 . 6.000 2.847 2.246 3.587 . 0 0 "[ . 1 . 2 . ]" 1
477 1 66 VAL H 1 66 VAL HB 2.100 . 2.600 2.660 2.417 2.825 0.225 9 0 "[ . 1 . 2 . ]" 1
478 1 52 ARG HE 1 66 VAL MG1 4.300 . 4.800 1.900 1.760 3.098 0.040 1 0 "[ . 1 . 2 . ]" 1
479 1 60 LYS QB 1 66 VAL MG1 4.400 . 4.900 3.620 3.536 3.730 . 0 0 "[ . 1 . 2 . ]" 1
480 1 62 PHE QD 1 66 VAL MG1 6.700 . 7.200 2.789 1.990 3.637 . 0 0 "[ . 1 . 2 . ]" 1
481 1 57 VAL MG1 1 66 VAL MG1 3.700 . 4.200 2.413 2.021 2.706 . 0 0 "[ . 1 . 2 . ]" 1
482 1 66 VAL H 1 66 VAL MG1 4.300 . 4.800 3.840 3.724 3.896 . 0 0 "[ . 1 . 2 . ]" 1
483 1 52 ARG HE 1 66 VAL MG2 4.300 . 4.800 4.107 3.951 4.306 . 0 0 "[ . 1 . 2 . ]" 1
484 1 52 ARG QG 1 66 VAL MG2 5.300 . 5.800 4.161 3.925 4.487 . 0 0 "[ . 1 . 2 . ]" 1
485 1 62 PHE HA 1 66 VAL MG2 3.400 . 3.900 2.082 1.837 2.567 . 0 0 "[ . 1 . 2 . ]" 1
486 1 62 PHE QD 1 66 VAL MG2 5.800 . 6.300 3.353 2.856 3.680 . 0 0 "[ . 1 . 2 . ]" 1
487 1 62 PHE H 1 66 VAL MG2 4.800 . 5.300 3.343 3.002 3.784 . 0 0 "[ . 1 . 2 . ]" 1
488 1 63 PHE H 1 66 VAL MG2 4.800 . 5.300 4.347 4.160 4.522 . 0 0 "[ . 1 . 2 . ]" 1
489 1 57 VAL HA 1 66 VAL MG2 5.800 . 6.300 3.389 2.962 4.466 . 0 0 "[ . 1 . 2 . ]" 1
490 1 66 VAL HA 1 66 VAL MG2 3.400 . 3.900 2.497 2.163 2.737 . 0 0 "[ . 1 . 2 . ]" 1
491 1 66 VAL H 1 66 VAL MG2 3.400 . 3.900 2.417 1.974 3.048 . 0 0 "[ . 1 . 2 . ]" 1
492 1 65 ASP HA 1 66 VAL H 3.100 . 3.600 3.427 3.207 3.586 . 0 0 "[ . 1 . 2 . ]" 1
493 1 65 ASP QB 1 66 VAL H 4.100 . 4.600 3.202 2.688 3.679 . 0 0 "[ . 1 . 2 . ]" 1
494 1 65 ASP H 1 66 VAL H 3.100 . 3.600 2.149 1.799 2.738 0.001 2 0 "[ . 1 . 2 . ]" 1
495 1 62 PHE HA 1 66 VAL H 3.100 . 3.600 3.257 2.517 3.770 0.170 24 0 "[ . 1 . 2 . ]" 1
496 1 67 ALA HA 1 67 ALA MB 2.400 . 2.900 2.132 2.095 2.154 . 0 0 "[ . 1 . 2 . ]" 1
497 1 67 ALA H 1 67 ALA MB 3.400 . 3.900 2.311 2.050 2.700 . 0 0 "[ . 1 . 2 . ]" 1
498 1 62 PHE HA 1 67 ALA MB 4.300 . 4.800 3.752 3.525 3.940 . 0 0 "[ . 1 . 2 . ]" 1
499 1 62 PHE QD 1 67 ALA MB 6.700 . 7.200 3.098 2.134 3.712 . 0 0 "[ . 1 . 2 . ]" 1
500 1 62 PHE QE 1 67 ALA MB 5.800 . 6.300 2.647 1.765 3.308 0.035 2 0 "[ . 1 . 2 . ]" 1
501 1 62 PHE HZ 1 67 ALA MB 3.400 . 3.900 3.410 3.246 3.535 . 0 0 "[ . 1 . 2 . ]" 1
502 1 63 PHE HA 1 67 ALA MB 4.300 . 4.800 3.667 3.276 3.896 . 0 0 "[ . 1 . 2 . ]" 1
503 1 66 VAL HB 1 67 ALA MB 4.300 . 4.800 3.090 2.680 3.556 . 0 0 "[ . 1 . 2 . ]" 1
504 1 66 VAL MG1 1 67 ALA MB 4.600 . 5.100 3.235 2.624 3.622 . 0 0 "[ . 1 . 2 . ]" 1
505 1 66 VAL H 1 67 ALA MB 4.300 . 4.800 4.069 3.982 4.244 . 0 0 "[ . 1 . 2 . ]" 1
506 1 62 PHE HA 1 67 ALA H 4.500 . 5.000 3.214 2.591 3.953 . 0 0 "[ . 1 . 2 . ]" 1
507 1 63 PHE HA 1 67 ALA H 4.500 . 5.000 4.230 3.666 4.680 . 0 0 "[ . 1 . 2 . ]" 1
508 1 66 VAL HA 1 67 ALA H 4.000 . 4.500 3.511 3.455 3.546 . 0 0 "[ . 1 . 2 . ]" 1
509 1 66 VAL HB 1 67 ALA H 2.100 . 2.600 2.166 1.913 2.790 0.190 18 0 "[ . 1 . 2 . ]" 1
510 1 66 VAL MG1 1 67 ALA H 4.300 . 4.800 3.402 2.417 3.820 . 0 0 "[ . 1 . 2 . ]" 1
511 1 66 VAL H 1 67 ALA H 2.100 . 2.600 2.113 1.871 2.514 . 0 0 "[ . 1 . 2 . ]" 1
512 1 67 ALA HA 1 68 PRO QD 3.100 . 3.600 1.959 1.944 1.978 . 0 0 "[ . 1 . 2 . ]" 1
513 1 67 ALA MB 1 68 PRO QD 5.300 . 5.800 3.287 3.197 3.383 . 0 0 "[ . 1 . 2 . ]" 1
514 1 67 ALA H 1 68 PRO QD 4.100 . 4.600 3.703 3.114 3.964 . 0 0 "[ . 1 . 2 . ]" 1
515 1 67 ALA HA 1 69 CYS H 4.000 . 4.500 3.326 3.148 3.485 . 0 0 "[ . 1 . 2 . ]" 1
516 1 67 ALA MB 1 69 CYS H 4.300 . 4.800 2.953 2.729 3.346 . 0 0 "[ . 1 . 2 . ]" 1
517 1 68 PRO HA 1 69 CYS H 4.500 . 5.000 3.356 3.290 3.458 . 0 0 "[ . 1 . 2 . ]" 1
518 1 68 PRO QD 1 69 CYS H 4.100 . 4.600 2.714 2.352 2.911 . 0 0 "[ . 1 . 2 . ]" 1
519 1 68 PRO QG 1 69 CYS H 4.100 . 4.600 3.441 2.946 3.684 . 0 0 "[ . 1 . 2 . ]" 1
520 1 62 PHE QE 1 70 THR HB 5.500 . 6.000 3.222 2.270 3.631 . 0 0 "[ . 1 . 2 . ]" 1
521 1 70 THR HB 1 70 THR HG1 2.100 . 2.600 2.465 2.227 2.787 0.187 16 0 "[ . 1 . 2 . ]" 1
522 1 62 PHE QD 1 70 THR HG1 6.400 . 6.900 4.448 3.972 4.567 . 0 0 "[ . 1 . 2 . ]" 1
523 1 70 THR H 1 70 THR HG1 2.100 . 2.600 2.547 2.040 2.659 0.059 17 0 "[ . 1 . 2 . ]" 1
524 1 67 ALA MB 1 70 THR MG 3.700 . 4.200 1.958 1.750 2.414 0.050 7 0 "[ . 1 . 2 . ]" 1
525 1 69 CYS H 1 70 THR MG 4.800 . 5.300 3.740 3.368 4.210 . 0 0 "[ . 1 . 2 . ]" 1
526 1 62 PHE QE 1 70 THR MG 5.800 . 6.300 2.295 1.894 2.758 . 0 0 "[ . 1 . 2 . ]" 1
527 1 62 PHE HZ 1 70 THR MG 3.400 . 3.900 2.384 1.791 3.008 0.009 10 0 "[ . 1 . 2 . ]" 1
528 1 70 THR HA 1 70 THR MG 3.400 . 3.900 2.278 2.068 2.420 . 0 0 "[ . 1 . 2 . ]" 1
529 1 70 THR HB 1 70 THR MG 2.400 . 2.900 2.117 2.102 2.146 . 0 0 "[ . 1 . 2 . ]" 1
530 1 70 THR H 1 70 THR MG 3.400 . 3.900 2.417 2.013 2.763 . 0 0 "[ . 1 . 2 . ]" 1
531 1 67 ALA MB 1 70 THR H 4.300 . 4.800 2.565 2.168 2.815 . 0 0 "[ . 1 . 2 . ]" 1
532 1 69 CYS HA 1 70 THR H 4.500 . 5.000 3.475 3.443 3.514 . 0 0 "[ . 1 . 2 . ]" 1
533 1 69 CYS QB 1 70 THR H 5.000 . 5.500 3.628 3.488 3.723 . 0 0 "[ . 1 . 2 . ]" 1
534 1 69 CYS H 1 70 THR H 3.100 . 3.600 2.156 2.015 2.408 . 0 0 "[ . 1 . 2 . ]" 1
535 1 71 ASP H 1 71 ASP QB 3.100 . 3.600 2.455 2.099 2.829 . 0 0 "[ . 1 . 2 . ]" 1
536 1 63 PHE HA 1 71 ASP QB 5.000 . 5.500 4.302 3.663 4.762 . 0 0 "[ . 1 . 2 . ]" 1
537 1 69 CYS HA 1 71 ASP H 4.000 . 4.500 3.514 3.391 4.207 . 0 0 "[ . 1 . 2 . ]" 1
538 1 70 THR HA 1 71 ASP H 4.000 . 4.500 3.334 3.198 3.540 . 0 0 "[ . 1 . 2 . ]" 1
539 1 70 THR HG1 1 71 ASP H 3.100 . 3.600 3.145 2.352 3.660 0.060 20 0 "[ . 1 . 2 . ]" 1
540 1 70 THR H 1 71 ASP H 2.100 . 2.600 2.636 2.599 2.669 0.069 4 0 "[ . 1 . 2 . ]" 1
541 1 71 ASP HA 1 72 SER H 2.100 . 2.600 2.596 2.289 2.682 0.082 5 0 "[ . 1 . 2 . ]" 1
542 1 71 ASP H 1 72 SER H 4.500 . 5.000 3.499 3.244 4.211 . 0 0 "[ . 1 . 2 . ]" 1
543 1 72 SER H 1 73 PRO QD 5.500 . 6.000 4.308 4.278 4.329 . 0 0 "[ . 1 . 2 . ]" 1
544 1 74 GLU H 1 74 GLU HA 2.300 . 2.800 2.908 2.790 2.970 0.170 23 0 "[ . 1 . 2 . ]" 1
545 1 73 PRO HA 1 74 GLU H 4.500 . 5.000 3.049 2.411 3.459 . 0 0 "[ . 1 . 2 . ]" 1
546 1 72 SER QB 1 74 GLU H 4.100 . 4.600 2.912 2.090 4.081 . 0 0 "[ . 1 . 2 . ]" 1
547 1 74 GLU H 1 75 PHE QB 5.500 . 6.000 4.007 3.897 4.141 . 0 0 "[ . 1 . 2 . ]" 1
548 1 70 THR HA 1 75 PHE QB 4.100 . 4.600 2.185 1.932 2.374 . 0 0 "[ . 1 . 2 . ]" 1
549 1 70 THR HB 1 75 PHE QB 5.000 . 5.500 2.770 2.329 3.275 . 0 0 "[ . 1 . 2 . ]" 1
550 1 63 PHE QE 1 75 PHE QD 6.900 . 7.400 1.916 1.828 1.964 . 0 0 "[ . 1 . 2 . ]" 1
551 1 70 THR HB 1 75 PHE QD 5.500 . 6.000 2.631 2.184 3.221 . 0 0 "[ . 1 . 2 . ]" 1
552 1 70 THR MG 1 75 PHE QD 6.700 . 7.200 2.870 2.483 3.465 . 0 0 "[ . 1 . 2 . ]" 1
553 1 62 PHE QE 1 75 PHE QE 7.900 . 8.400 2.079 1.902 2.476 . 0 0 "[ . 1 . 2 . ]" 1
554 1 63 PHE QE 1 75 PHE QE 7.900 . 8.400 3.475 2.973 3.689 . 0 0 "[ . 1 . 2 . ]" 1
555 1 70 THR HB 1 75 PHE QE 5.500 . 6.000 3.643 3.576 3.703 . 0 0 "[ . 1 . 2 . ]" 1
556 1 74 GLU HA 1 75 PHE H 3.100 . 3.600 3.486 3.448 3.520 . 0 0 "[ . 1 . 2 . ]" 1
557 1 74 GLU QB 1 75 PHE H 5.000 . 5.500 2.800 2.566 3.044 . 0 0 "[ . 1 . 2 . ]" 1
558 1 74 GLU H 1 75 PHE H 3.100 . 3.600 2.011 1.934 2.179 . 0 0 "[ . 1 . 2 . ]" 1
559 1 63 PHE QE 1 76 TYR HA 6.400 . 6.900 2.649 2.054 3.172 . 0 0 "[ . 1 . 2 . ]" 1
560 1 63 PHE HZ 1 76 TYR HA 3.100 . 3.600 3.408 2.896 3.690 0.090 5 0 "[ . 1 . 2 . ]" 1
561 1 72 SER H 1 76 TYR QB 4.100 . 4.600 2.771 2.107 2.996 . 0 0 "[ . 1 . 2 . ]" 1
562 1 63 PHE QD 1 76 TYR QD 7.900 . 8.400 3.097 2.719 3.435 . 0 0 "[ . 1 . 2 . ]" 1
563 1 63 PHE HZ 1 76 TYR QD 6.400 . 6.900 3.121 2.809 3.628 . 0 0 "[ . 1 . 2 . ]" 1
564 1 72 SER H 1 76 TYR QD 6.900 . 7.400 4.783 3.910 5.037 . 0 0 "[ . 1 . 2 . ]" 1
565 1 75 PHE HA 1 76 TYR H 4.500 . 5.000 3.593 3.584 3.602 . 0 0 "[ . 1 . 2 . ]" 1
566 1 75 PHE QB 1 76 TYR H 3.300 . 3.800 1.944 1.891 2.040 . 0 0 "[ . 1 . 2 . ]" 1
567 1 75 PHE QD 1 76 TYR H 5.500 . 6.000 3.539 3.356 3.640 . 0 0 "[ . 1 . 2 . ]" 1
568 1 75 PHE H 1 76 TYR H 3.100 . 3.600 2.574 2.432 2.710 . 0 0 "[ . 1 . 2 . ]" 1
569 1 72 SER H 1 76 TYR H 3.100 . 3.600 2.408 2.267 2.624 . 0 0 "[ . 1 . 2 . ]" 1
570 1 70 THR HA 1 76 TYR H 4.000 . 4.500 3.949 3.702 4.175 . 0 0 "[ . 1 . 2 . ]" 1
571 1 73 PRO HA 1 77 GLY HA2 4.000 . 4.500 3.018 2.692 3.432 . 0 0 "[ . 1 . 2 . ]" 1
572 1 74 GLU H 1 77 GLY H 4.500 . 5.000 3.004 1.975 3.801 . 0 0 "[ . 1 . 2 . ]" 1
573 1 75 PHE H 1 77 GLY H 3.100 . 3.600 2.758 2.582 2.913 . 0 0 "[ . 1 . 2 . ]" 1
574 1 73 PRO HA 1 77 GLY H 3.100 . 3.600 3.113 2.957 3.255 . 0 0 "[ . 1 . 2 . ]" 1
575 1 76 TYR QB 1 77 GLY H 4.100 . 4.600 3.053 2.989 3.119 . 0 0 "[ . 1 . 2 . ]" 1
576 1 74 GLU HA 1 78 LYS QD 4.100 . 4.600 2.964 2.834 3.098 . 0 0 "[ . 1 . 2 . ]" 1
577 1 77 GLY HA2 1 78 LYS QD 4.100 . 4.600 4.119 4.073 4.173 . 0 0 "[ . 1 . 2 . ]" 1
578 1 78 LYS HA 1 78 LYS QD 3.100 . 3.600 1.925 1.883 1.980 . 0 0 "[ . 1 . 2 . ]" 1
579 1 78 LYS H 1 78 LYS QD 3.100 . 3.600 2.081 1.994 2.170 . 0 0 "[ . 1 . 2 . ]" 1
580 1 75 PHE H 1 78 LYS QD 5.500 . 6.000 5.065 4.819 5.122 . 0 0 "[ . 1 . 2 . ]" 1
581 1 74 GLU HA 1 78 LYS QG 4.100 . 4.600 2.772 2.428 3.119 . 0 0 "[ . 1 . 2 . ]" 1
582 1 78 LYS H 1 78 LYS QG 3.100 . 3.600 1.987 1.956 2.013 . 0 0 "[ . 1 . 2 . ]" 1
583 1 74 GLU QB 1 78 LYS H 5.000 . 5.500 5.066 5.024 5.114 . 0 0 "[ . 1 . 2 . ]" 1
584 1 77 GLY HA3 1 78 LYS H 4.000 . 4.500 2.569 2.524 2.613 . 0 0 "[ . 1 . 2 . ]" 1
585 1 77 GLY HA2 1 78 LYS H 3.100 . 3.600 3.568 3.562 3.575 . 0 0 "[ . 1 . 2 . ]" 1
586 1 77 GLY H 1 78 LYS H 3.100 . 3.600 2.856 2.781 2.914 . 0 0 "[ . 1 . 2 . ]" 1
587 1 75 PHE HA 1 78 LYS H 4.000 . 4.500 4.211 4.087 4.297 . 0 0 "[ . 1 . 2 . ]" 1
588 1 75 PHE QB 1 78 LYS H 5.500 . 6.000 5.299 5.186 5.378 . 0 0 "[ . 1 . 2 . ]" 1
589 1 79 PHE H 1 79 PHE HA 2.100 . 2.600 2.896 2.886 2.908 0.308 11 0 "[ . 1 . 2 . ]" 1
590 1 63 PHE QE 1 79 PHE QB 7.400 . 7.900 3.421 3.136 3.729 . 0 0 "[ . 1 . 2 . ]" 1
591 1 79 PHE H 1 79 PHE QB 3.100 . 3.600 2.187 2.144 2.220 . 0 0 "[ . 1 . 2 . ]" 1
592 1 76 TYR HA 1 79 PHE QB 3.100 . 3.600 2.027 1.944 2.100 . 0 0 "[ . 1 . 2 . ]" 1
593 1 76 TYR QD 1 79 PHE QB 6.500 . 7.000 2.588 2.370 2.786 . 0 0 "[ . 1 . 2 . ]" 1
594 1 63 PHE QE 1 79 PHE QD 7.900 . 8.400 3.123 2.495 3.635 . 0 0 "[ . 1 . 2 . ]" 1
595 1 76 TYR QD 1 79 PHE QD 7.900 . 8.400 3.281 3.067 3.435 . 0 0 "[ . 1 . 2 . ]" 1
596 1 76 TYR QE 1 79 PHE QD 7.900 . 8.400 2.722 2.627 2.885 . 0 0 "[ . 1 . 2 . ]" 1
597 1 35 GLY QA 1 79 PHE QE 7.400 . 7.900 4.553 4.449 4.615 . 0 0 "[ . 1 . 2 . ]" 1
598 1 33 LEU QB 1 79 PHE QE 6.500 . 7.000 2.578 2.358 2.831 . 0 0 "[ . 1 . 2 . ]" 1
599 1 77 GLY HA2 1 79 PHE H 4.500 . 5.000 3.929 3.890 4.005 . 0 0 "[ . 1 . 2 . ]" 1
600 1 78 LYS QD 1 79 PHE H 5.000 . 5.500 4.144 4.116 4.172 . 0 0 "[ . 1 . 2 . ]" 1
601 1 78 LYS QG 1 79 PHE H 4.100 . 4.600 3.992 3.968 4.017 . 0 0 "[ . 1 . 2 . ]" 1
602 1 78 LYS H 1 79 PHE H 2.100 . 2.600 2.638 2.603 2.657 0.057 10 0 "[ . 1 . 2 . ]" 1
603 1 76 TYR HA 1 79 PHE H 3.100 . 3.600 3.289 3.119 3.434 . 0 0 "[ . 1 . 2 . ]" 1
604 1 35 GLY QA 1 79 PHE HZ 5.000 . 5.500 4.110 3.820 4.390 . 0 0 "[ . 1 . 2 . ]" 1
605 1 37 GLY HA3 1 79 PHE HZ 4.000 . 4.500 4.542 4.345 4.606 0.106 16 0 "[ . 1 . 2 . ]" 1
606 1 37 GLY H 1 79 PHE HZ 4.000 . 4.500 3.889 3.336 4.464 . 0 0 "[ . 1 . 2 . ]" 1
607 1 33 LEU QB 1 79 PHE HZ 5.000 . 5.500 3.245 2.893 3.582 . 0 0 "[ . 1 . 2 . ]" 1
608 1 76 TYR QE 1 79 PHE HZ 5.500 . 6.000 3.680 3.606 3.735 . 0 0 "[ . 1 . 2 . ]" 1
609 1 80 LYS H 1 80 LYS HA 2.100 . 2.600 2.876 2.862 2.885 0.285 18 0 "[ . 1 . 2 . ]" 1
610 1 79 PHE QD 1 80 LYS HA 5.500 . 6.000 2.705 2.551 2.842 . 0 0 "[ . 1 . 2 . ]" 1
611 1 79 PHE QD 1 80 LYS QB 7.400 . 7.900 3.727 3.551 3.935 . 0 0 "[ . 1 . 2 . ]" 1
612 1 76 TYR QE 1 80 LYS QB 7.400 . 7.900 4.405 4.123 4.525 . 0 0 "[ . 1 . 2 . ]" 1
613 1 80 LYS H 1 80 LYS QG 4.100 . 4.600 3.173 2.841 3.510 . 0 0 "[ . 1 . 2 . ]" 1
614 1 79 PHE QD 1 80 LYS QG 6.500 . 7.000 2.660 2.354 3.123 . 0 0 "[ . 1 . 2 . ]" 1
615 1 76 TYR QD 1 80 LYS QG 6.500 . 7.000 3.409 3.032 3.624 . 0 0 "[ . 1 . 2 . ]" 1
616 1 76 TYR QE 1 80 LYS QG 6.500 . 7.000 2.789 2.571 3.004 . 0 0 "[ . 1 . 2 . ]" 1
617 1 77 GLY HA3 1 80 LYS H 4.000 . 4.500 4.587 4.528 4.628 0.128 5 0 "[ . 1 . 2 . ]" 1
618 1 77 GLY HA2 1 80 LYS H 4.500 . 5.000 3.480 3.410 3.540 . 0 0 "[ . 1 . 2 . ]" 1
619 1 78 LYS H 1 80 LYS H 4.500 . 5.000 4.344 4.253 4.445 . 0 0 "[ . 1 . 2 . ]" 1
620 1 79 PHE HA 1 80 LYS H 4.500 . 5.000 3.529 3.508 3.551 . 0 0 "[ . 1 . 2 . ]" 1
621 1 79 PHE QB 1 80 LYS H 3.100 . 3.600 2.606 2.537 2.669 . 0 0 "[ . 1 . 2 . ]" 1
622 1 79 PHE QD 1 80 LYS H 5.500 . 6.000 3.006 2.871 3.106 . 0 0 "[ . 1 . 2 . ]" 1
623 1 79 PHE H 1 80 LYS H 3.100 . 3.600 2.417 2.327 2.495 . 0 0 "[ . 1 . 2 . ]" 1
624 1 76 TYR QD 1 80 LYS H 6.900 . 7.400 4.507 4.362 4.615 . 0 0 "[ . 1 . 2 . ]" 1
625 1 81 GLU H 1 81 GLU QB 3.100 . 3.600 2.676 2.551 2.974 . 0 0 "[ . 1 . 2 . ]" 1
626 1 78 LYS HA 1 81 GLU QB 5.000 . 5.500 2.911 2.379 3.819 . 0 0 "[ . 1 . 2 . ]" 1
627 1 81 GLU HA 1 81 GLU QG 3.100 . 3.600 2.902 2.530 3.399 . 0 0 "[ . 1 . 2 . ]" 1
628 1 81 GLU H 1 81 GLU QG 4.100 . 4.600 2.208 1.927 2.396 . 0 0 "[ . 1 . 2 . ]" 1
629 1 78 LYS HA 1 81 GLU QG 4.100 . 4.600 1.944 1.800 2.177 0.000 2 0 "[ . 1 . 2 . ]" 1
630 1 79 PHE H 1 81 GLU QG 4.100 . 4.600 4.030 3.721 4.222 . 0 0 "[ . 1 . 2 . ]" 1
631 1 78 LYS HA 1 81 GLU H 4.000 . 4.500 3.325 3.187 3.502 . 0 0 "[ . 1 . 2 . ]" 1
632 1 80 LYS HA 1 81 GLU H 3.100 . 3.600 3.361 3.332 3.395 . 0 0 "[ . 1 . 2 . ]" 1
633 1 80 LYS QB 1 81 GLU H 4.100 . 4.600 3.235 3.182 3.290 . 0 0 "[ . 1 . 2 . ]" 1
634 1 80 LYS QG 1 81 GLU H 5.500 . 6.000 4.574 4.456 4.673 . 0 0 "[ . 1 . 2 . ]" 1
635 1 80 LYS H 1 81 GLU H 3.100 . 3.600 2.439 2.384 2.491 . 0 0 "[ . 1 . 2 . ]" 1
636 1 79 PHE QB 1 81 GLU H 4.100 . 4.600 4.344 4.289 4.410 . 0 0 "[ . 1 . 2 . ]" 1
637 1 79 PHE H 1 81 GLU H 4.500 . 5.000 3.576 3.464 3.681 . 0 0 "[ . 1 . 2 . ]" 1
638 1 82 GLY H 1 82 GLY HA3 2.100 . 2.600 2.355 2.348 2.361 . 0 0 "[ . 1 . 2 . ]" 1
639 1 81 GLU HA 1 82 GLY H 3.100 . 3.600 3.516 3.501 3.528 . 0 0 "[ . 1 . 2 . ]" 1
640 1 81 GLU QB 1 82 GLY H 4.100 . 4.600 2.877 2.451 3.492 . 0 0 "[ . 1 . 2 . ]" 1
641 1 81 GLU QG 1 82 GLY H 4.100 . 4.600 2.960 1.878 3.740 . 0 0 "[ . 1 . 2 . ]" 1
642 1 81 GLU H 1 82 GLY H 2.100 . 2.600 2.137 2.115 2.163 . 0 0 "[ . 1 . 2 . ]" 1
643 1 78 LYS HA 1 82 GLY H 4.500 . 5.000 3.842 3.775 3.920 . 0 0 "[ . 1 . 2 . ]" 1
644 1 78 LYS QD 1 82 GLY H 5.500 . 6.000 5.388 5.357 5.425 . 0 0 "[ . 1 . 2 . ]" 1
645 1 80 LYS QB 1 82 GLY H 5.000 . 5.500 5.004 4.944 5.063 . 0 0 "[ . 1 . 2 . ]" 1
646 1 79 PHE HA 1 82 GLY H 4.000 . 4.500 3.363 3.261 3.422 . 0 0 "[ . 1 . 2 . ]" 1
647 1 79 PHE QB 1 82 GLY H 5.500 . 6.000 4.969 4.900 5.034 . 0 0 "[ . 1 . 2 . ]" 1
648 1 80 LYS HA 1 83 VAL HB 3.100 . 3.600 2.716 2.577 2.820 . 0 0 "[ . 1 . 2 . ]" 1
649 1 83 VAL H 1 83 VAL HB 2.100 . 2.600 2.526 2.463 2.596 . 0 0 "[ . 1 . 2 . ]" 1
650 1 80 LYS HA 1 83 VAL MG1 4.300 . 4.800 3.978 3.883 4.031 . 0 0 "[ . 1 . 2 . ]" 1
651 1 83 VAL HA 1 83 VAL MG1 3.400 . 3.900 2.334 2.258 2.449 . 0 0 "[ . 1 . 2 . ]" 1
652 1 83 VAL H 1 83 VAL MG1 4.300 . 4.800 3.768 3.759 3.780 . 0 0 "[ . 1 . 2 . ]" 1
653 1 81 GLU H 1 83 VAL MG2 4.800 . 5.300 4.374 4.342 4.416 . 0 0 "[ . 1 . 2 . ]" 1
654 1 80 LYS HA 1 83 VAL MG2 3.400 . 3.900 2.757 2.554 2.936 . 0 0 "[ . 1 . 2 . ]" 1
655 1 79 PHE QD 1 83 VAL MG2 5.800 . 6.300 2.664 2.336 2.934 . 0 0 "[ . 1 . 2 . ]" 1
656 1 79 PHE QE 1 83 VAL MG2 6.700 . 7.200 2.519 2.277 2.724 . 0 0 "[ . 1 . 2 . ]" 1
657 1 79 PHE HZ 1 83 VAL MG2 3.400 . 3.900 3.237 3.148 3.306 . 0 0 "[ . 1 . 2 . ]" 1
658 1 83 VAL HA 1 83 VAL MG2 3.400 . 3.900 2.394 2.369 2.437 . 0 0 "[ . 1 . 2 . ]" 1
659 1 83 VAL HB 1 83 VAL MG2 2.400 . 2.900 2.117 2.113 2.126 . 0 0 "[ . 1 . 2 . ]" 1
660 1 83 VAL H 1 83 VAL MG2 3.400 . 3.900 2.131 2.018 2.195 . 0 0 "[ . 1 . 2 . ]" 1
661 1 81 GLU H 1 83 VAL H 3.100 . 3.600 3.512 3.450 3.590 . 0 0 "[ . 1 . 2 . ]" 1
662 1 82 GLY HA3 1 83 VAL H 3.100 . 3.600 2.801 2.743 2.830 . 0 0 "[ . 1 . 2 . ]" 1
663 1 82 GLY HA2 1 83 VAL H 4.000 . 4.500 3.533 3.522 3.554 . 0 0 "[ . 1 . 2 . ]" 1
664 1 82 GLY H 1 83 VAL H 3.100 . 3.600 2.540 2.476 2.599 . 0 0 "[ . 1 . 2 . ]" 1
665 1 80 LYS HA 1 83 VAL H 3.100 . 3.600 3.635 3.577 3.681 0.081 16 0 "[ . 1 . 2 . ]" 1
666 1 79 PHE HA 1 83 VAL H 3.100 . 3.600 3.788 3.750 3.825 0.225 22 0 "[ . 1 . 2 . ]" 1
667 1 84 ALA HA 1 84 ALA MB 2.400 . 2.900 2.128 2.108 2.146 . 0 0 "[ . 1 . 2 . ]" 1
668 1 84 ALA H 1 84 ALA MB 2.400 . 2.900 2.208 2.073 2.323 . 0 0 "[ . 1 . 2 . ]" 1
669 1 81 GLU HA 1 84 ALA MB 3.400 . 3.900 2.963 2.834 3.121 . 0 0 "[ . 1 . 2 . ]" 1
670 1 81 GLU HA 1 84 ALA H 4.000 . 4.500 3.369 3.184 3.567 . 0 0 "[ . 1 . 2 . ]" 1
671 1 82 GLY H 1 84 ALA H 4.000 . 4.500 4.097 3.910 4.346 . 0 0 "[ . 1 . 2 . ]" 1
672 1 80 LYS HA 1 84 ALA H 4.000 . 4.500 4.140 3.939 4.400 . 0 0 "[ . 1 . 2 . ]" 1
673 1 83 VAL HA 1 84 ALA H 4.000 . 4.500 3.562 3.539 3.586 . 0 0 "[ . 1 . 2 . ]" 1
674 1 83 VAL HB 1 84 ALA H 2.100 . 2.600 2.541 2.250 2.633 0.033 21 0 "[ . 1 . 2 . ]" 1
675 1 83 VAL MG1 1 84 ALA H 4.300 . 4.800 3.459 3.135 3.620 . 0 0 "[ . 1 . 2 . ]" 1
676 1 83 VAL MG2 1 84 ALA H 4.300 . 4.800 3.829 3.742 3.901 . 0 0 "[ . 1 . 2 . ]" 1
677 1 83 VAL H 1 84 ALA H 3.100 . 3.600 2.736 2.657 2.895 . 0 0 "[ . 1 . 2 . ]" 1
678 1 82 GLY HA3 1 85 SER QB 5.000 . 5.500 4.069 3.595 4.892 . 0 0 "[ . 1 . 2 . ]" 1
679 1 84 ALA HA 1 85 SER H 3.100 . 3.600 3.367 3.255 3.566 . 0 0 "[ . 1 . 2 . ]" 1
680 1 84 ALA MB 1 85 SER H 3.400 . 3.900 3.187 2.439 3.362 . 0 0 "[ . 1 . 2 . ]" 1
681 1 84 ALA H 1 85 SER H 2.100 . 2.600 2.500 2.408 2.627 0.027 24 0 "[ . 1 . 2 . ]" 1
682 1 82 GLY HA3 1 85 SER H 4.500 . 5.000 4.419 4.243 4.902 . 0 0 "[ . 1 . 2 . ]" 1
683 1 86 GLY H 1 86 GLY HA2 2.100 . 2.600 2.375 2.362 2.415 . 0 0 "[ . 1 . 2 . ]" 1
684 1 82 GLY HA3 1 86 GLY H 4.500 . 5.000 5.000 4.891 5.076 0.076 2 0 "[ . 1 . 2 . ]" 1
685 1 85 SER HA 1 86 GLY H 4.000 . 4.500 3.470 3.413 3.532 . 0 0 "[ . 1 . 2 . ]" 1
686 1 85 SER QB 1 86 GLY H 5.500 . 6.000 3.069 2.724 3.667 . 0 0 "[ . 1 . 2 . ]" 1
687 1 85 SER H 1 86 GLY H 2.100 . 2.600 2.194 2.037 2.606 0.006 24 0 "[ . 1 . 2 . ]" 1
688 1 83 VAL HA 1 86 GLY H 4.500 . 5.000 3.922 3.591 4.150 . 0 0 "[ . 1 . 2 . ]" 1
689 1 87 ASN H 1 87 ASN HD21 4.500 . 5.000 4.477 3.203 4.988 . 0 0 "[ . 1 . 2 . ]" 1
690 1 86 GLY HA3 1 87 ASN H 4.000 . 4.500 3.457 3.424 3.506 . 0 0 "[ . 1 . 2 . ]" 1
691 1 86 GLY HA2 1 87 ASN H 3.100 . 3.600 3.093 2.980 3.163 . 0 0 "[ . 1 . 2 . ]" 1
692 1 86 GLY H 1 87 ASN H 4.000 . 4.500 2.386 2.209 2.460 . 0 0 "[ . 1 . 2 . ]" 1
693 1 82 GLY HA3 1 88 LEU HA 3.100 . 3.600 2.073 1.914 2.487 . 0 0 "[ . 1 . 2 . ]" 1
694 1 82 GLY HA3 1 88 LEU HG 2.100 . 2.600 2.090 1.992 2.202 . 0 0 "[ . 1 . 2 . ]" 1
695 1 82 GLY HA2 1 88 LEU HG 3.100 . 3.600 3.647 3.617 3.692 0.092 8 0 "[ . 1 . 2 . ]" 1
696 1 88 LEU HA 1 88 LEU HG 2.100 . 2.600 2.044 1.963 2.149 . 0 0 "[ . 1 . 2 . ]" 1
697 1 88 LEU H 1 88 LEU HG 4.000 . 4.500 4.244 4.150 4.329 . 0 0 "[ . 1 . 2 . ]" 1
698 1 87 ASN HA 1 88 LEU H 2.100 . 2.600 2.543 2.242 2.637 0.037 21 0 "[ . 1 . 2 . ]" 1
699 1 87 ASN QB 1 88 LEU H 5.000 . 5.500 3.947 3.690 4.046 . 0 0 "[ . 1 . 2 . ]" 1
700 1 87 ASN H 1 88 LEU H 4.000 . 4.500 2.862 2.502 3.746 . 0 0 "[ . 1 . 2 . ]" 1
701 1 87 ASN QB 1 89 ASN QB 6.000 . 6.500 4.194 3.702 4.890 . 0 0 "[ . 1 . 2 . ]" 1
702 1 88 LEU HA 1 89 ASN H 2.100 . 2.600 2.180 2.162 2.206 . 0 0 "[ . 1 . 2 . ]" 1
703 1 88 LEU HG 1 89 ASN H 3.100 . 3.600 3.044 2.821 3.390 . 0 0 "[ . 1 . 2 . ]" 1
704 1 89 ASN H 1 90 THR HB 4.500 . 5.000 3.786 3.635 3.960 . 0 0 "[ . 1 . 2 . ]" 1
705 1 90 THR HA 1 90 THR HB 2.100 . 2.600 2.448 2.387 2.483 . 0 0 "[ . 1 . 2 . ]" 1
706 1 90 THR H 1 90 THR HB 3.100 . 3.600 3.288 3.001 3.499 . 0 0 "[ . 1 . 2 . ]" 1
707 1 89 ASN H 1 90 THR MG 4.800 . 5.300 3.635 3.251 4.054 . 0 0 "[ . 1 . 2 . ]" 1
708 1 90 THR HB 1 90 THR MG 2.400 . 2.900 2.111 2.103 2.135 . 0 0 "[ . 1 . 2 . ]" 1
709 1 90 THR H 1 90 THR MG 3.400 . 3.900 2.065 1.911 2.261 . 0 0 "[ . 1 . 2 . ]" 1
710 1 89 ASN HA 1 90 THR H 2.100 . 2.600 2.370 2.325 2.443 . 0 0 "[ . 1 . 2 . ]" 1
711 1 89 ASN H 1 90 THR H 4.000 . 4.500 3.335 3.132 3.454 . 0 0 "[ . 1 . 2 . ]" 1
712 1 88 LEU HG 1 90 THR H 4.000 . 4.500 4.542 4.508 4.584 0.084 14 0 "[ . 1 . 2 . ]" 1
713 1 90 THR HA 1 91 MET H 2.100 . 2.600 2.407 2.183 2.531 . 0 0 "[ . 1 . 2 . ]" 1
714 1 90 THR HB 1 91 MET H 4.000 . 4.500 3.809 3.600 4.240 . 0 0 "[ . 1 . 2 . ]" 1
715 1 90 THR MG 1 91 MET H 4.800 . 5.300 3.521 3.209 3.923 . 0 0 "[ . 1 . 2 . ]" 1
716 1 91 MET HA 1 92 PHE QD 5.500 . 6.000 3.400 2.747 3.712 . 0 0 "[ . 1 . 2 . ]" 1
717 1 90 THR MG 1 92 PHE QD 5.800 . 6.300 3.312 2.899 3.613 . 0 0 "[ . 1 . 2 . ]" 1
718 1 75 PHE HA 1 92 PHE QE 6.400 . 6.900 2.886 2.288 3.410 . 0 0 "[ . 1 . 2 . ]" 1
719 1 90 THR MG 1 92 PHE QE 5.800 . 6.300 2.755 2.089 3.341 . 0 0 "[ . 1 . 2 . ]" 1
720 1 91 MET HA 1 92 PHE H 2.100 . 2.600 2.426 2.209 2.602 0.002 18 0 "[ . 1 . 2 . ]" 1
721 1 91 MET QB 1 92 PHE H 5.000 . 5.500 2.742 2.104 3.784 . 0 0 "[ . 1 . 2 . ]" 1
722 1 91 MET QG 1 92 PHE H 4.100 . 4.600 3.280 1.911 4.026 . 0 0 "[ . 1 . 2 . ]" 1
723 1 75 PHE HA 1 92 PHE HZ 2.100 . 2.600 2.664 2.565 2.737 0.137 15 0 "[ . 1 . 2 . ]" 1
724 1 75 PHE QD 1 92 PHE HZ 5.500 . 6.000 2.861 2.761 3.061 . 0 0 "[ . 1 . 2 . ]" 1
725 1 75 PHE QE 1 92 PHE HZ 6.400 . 6.900 2.988 2.905 3.137 . 0 0 "[ . 1 . 2 . ]" 1
726 1 92 PHE HA 1 93 GLU H 2.100 . 2.600 2.460 2.286 2.667 0.067 15 0 "[ . 1 . 2 . ]" 1
727 1 92 PHE QB 1 93 GLU H 3.100 . 3.600 2.385 1.932 2.778 . 0 0 "[ . 1 . 2 . ]" 1
728 1 92 PHE QD 1 93 GLU H 5.500 . 6.000 3.435 3.033 3.705 . 0 0 "[ . 1 . 2 . ]" 1
729 1 92 PHE QD 1 94 TYR HA 6.400 . 6.900 3.588 3.324 3.931 . 0 0 "[ . 1 . 2 . ]" 1
730 1 92 PHE QD 1 94 TYR QB 5.500 . 6.000 2.510 2.321 2.698 . 0 0 "[ . 1 . 2 . ]" 1
731 1 92 PHE QE 1 94 TYR QB 6.500 . 7.000 2.056 1.908 2.225 . 0 0 "[ . 1 . 2 . ]" 1
732 1 69 CYS QB 1 94 TYR QE 5.500 . 6.000 2.633 2.487 2.678 . 0 0 "[ . 1 . 2 . ]" 1
733 1 74 GLU QB 1 94 TYR QE 5.500 . 6.000 2.455 2.160 2.633 . 0 0 "[ . 1 . 2 . ]" 1
734 1 75 PHE QB 1 94 TYR QE 6.500 . 7.000 3.168 2.857 3.523 . 0 0 "[ . 1 . 2 . ]" 1
735 1 70 THR MG 1 94 TYR QE 5.800 . 6.300 3.167 2.659 3.639 . 0 0 "[ . 1 . 2 . ]" 1
736 1 93 GLU HA 1 94 TYR H 2.100 . 2.600 2.205 2.177 2.231 . 0 0 "[ . 1 . 2 . ]" 1
737 1 93 GLU QB 1 94 TYR H 4.100 . 4.600 3.624 3.373 4.003 . 0 0 "[ . 1 . 2 . ]" 1
738 1 93 GLU QG 1 94 TYR H 5.500 . 6.000 3.970 3.035 4.812 . 0 0 "[ . 1 . 2 . ]" 1
739 1 95 THR H 1 95 THR HB 3.100 . 3.600 2.841 2.603 3.089 . 0 0 "[ . 1 . 2 . ]" 1
740 1 95 THR HA 1 95 THR MG 3.400 . 3.900 2.349 2.060 2.434 . 0 0 "[ . 1 . 2 . ]" 1
741 1 95 THR HB 1 95 THR MG 2.400 . 2.900 2.126 2.103 2.145 . 0 0 "[ . 1 . 2 . ]" 1
742 1 95 THR H 1 95 THR MG 4.300 . 4.800 3.926 3.846 3.983 . 0 0 "[ . 1 . 2 . ]" 1
743 1 94 TYR HA 1 95 THR H 2.100 . 2.600 2.528 2.257 2.638 0.038 2 0 "[ . 1 . 2 . ]" 1
744 1 94 TYR QB 1 95 THR H 5.500 . 6.000 2.689 2.439 3.264 . 0 0 "[ . 1 . 2 . ]" 1
745 1 94 TYR QD 1 95 THR H 5.500 . 6.000 2.674 2.165 3.322 . 0 0 "[ . 1 . 2 . ]" 1
746 1 94 TYR QE 1 95 THR H 6.900 . 7.400 4.078 3.572 4.482 . 0 0 "[ . 1 . 2 . ]" 1
747 1 50 THR MG 1 96 PHE QD 5.800 . 6.300 3.044 2.049 3.740 . 0 0 "[ . 1 . 2 . ]" 1
748 1 94 TYR QD 1 96 PHE QD 8.800 . 9.300 2.495 2.245 2.873 . 0 0 "[ . 1 . 2 . ]" 1
749 1 75 PHE QE 1 96 PHE QE 6.900 . 7.400 2.462 2.250 2.618 . 0 0 "[ . 1 . 2 . ]" 1
750 1 70 THR MG 1 96 PHE QE 5.800 . 6.300 2.974 2.451 3.374 . 0 0 "[ . 1 . 2 . ]" 1
751 1 94 TYR QB 1 96 PHE QE 6.500 . 7.000 2.795 2.465 3.097 . 0 0 "[ . 1 . 2 . ]" 1
752 1 95 THR HA 1 96 PHE H 2.100 . 2.600 2.201 2.173 2.215 . 0 0 "[ . 1 . 2 . ]" 1
753 1 95 THR HB 1 96 PHE H 4.500 . 5.000 4.367 4.137 4.438 . 0 0 "[ . 1 . 2 . ]" 1
754 1 95 THR MG 1 96 PHE H 3.400 . 3.900 2.977 2.703 3.111 . 0 0 "[ . 1 . 2 . ]" 1
755 1 96 PHE HA 1 97 ASP H 2.100 . 2.600 2.211 2.150 2.326 . 0 0 "[ . 1 . 2 . ]" 1
756 1 96 PHE QB 1 97 ASP H 5.500 . 6.000 3.483 3.161 3.811 . 0 0 "[ . 1 . 2 . ]" 1
757 1 96 PHE QD 1 97 ASP H 6.400 . 6.900 4.009 3.853 4.177 . 0 0 "[ . 1 . 2 . ]" 1
758 1 95 THR MG 1 97 ASP H 4.800 . 5.300 4.062 3.280 4.313 . 0 0 "[ . 1 . 2 . ]" 1
759 1 97 ASP H 1 98 TYR QB 5.500 . 6.000 4.004 3.717 4.121 . 0 0 "[ . 1 . 2 . ]" 1
760 1 98 TYR H 1 98 TYR QB 3.100 . 3.600 2.520 2.240 2.797 . 0 0 "[ . 1 . 2 . ]" 1
761 1 67 ALA HA 1 98 TYR QD 5.500 . 6.000 3.480 2.585 3.798 . 0 0 "[ . 1 . 2 . ]" 1
762 1 68 PRO QD 1 98 TYR QD 6.500 . 7.000 2.833 2.463 3.109 . 0 0 "[ . 1 . 2 . ]" 1
763 1 68 PRO QD 1 98 TYR QE 7.400 . 7.900 4.517 4.238 4.632 . 0 0 "[ . 1 . 2 . ]" 1
764 1 50 THR HB 1 98 TYR QE 4.500 . 5.000 2.551 2.053 2.805 . 0 0 "[ . 1 . 2 . ]" 1
765 1 97 ASP HA 1 98 TYR H 3.100 . 3.600 2.815 2.546 3.029 . 0 0 "[ . 1 . 2 . ]" 1
766 1 97 ASP H 1 98 TYR H 2.100 . 2.600 2.641 2.495 2.792 0.192 17 0 "[ . 1 . 2 . ]" 1
767 1 96 PHE HA 1 98 TYR H 4.500 . 5.000 3.850 3.254 4.536 . 0 0 "[ . 1 . 2 . ]" 1
768 1 99 GLN H 1 99 GLN HA 2.100 . 2.600 2.460 2.322 2.537 . 0 0 "[ . 1 . 2 . ]" 1
769 1 99 GLN QB 1 99 GLN HE22 4.100 . 4.600 3.684 3.178 4.098 . 0 0 "[ . 1 . 2 . ]" 1
770 1 99 GLN H 1 99 GLN QG 4.100 . 4.600 2.963 1.913 4.121 . 0 0 "[ . 1 . 2 . ]" 1
771 1 98 TYR QD 1 99 GLN QG 6.500 . 7.000 2.920 1.860 3.748 . 0 0 "[ . 1 . 2 . ]" 1
772 1 98 TYR QE 1 99 GLN QG 7.400 . 7.900 3.921 2.674 4.810 . 0 0 "[ . 1 . 2 . ]" 1
773 1 98 TYR HA 1 99 GLN H 2.100 . 2.600 2.383 2.236 2.791 0.191 17 0 "[ . 1 . 2 . ]" 1
774 1 98 TYR QD 1 99 GLN H 5.500 . 6.000 3.664 3.304 3.920 . 0 0 "[ . 1 . 2 . ]" 1
775 1 97 ASP HA 1 100 MET QB 4.100 . 4.600 4.002 3.577 4.172 . 0 0 "[ . 1 . 2 . ]" 1
776 1 100 MET H 1 100 MET QB 3.300 . 3.800 2.875 2.529 3.003 . 0 0 "[ . 1 . 2 . ]" 1
777 1 98 TYR QE 1 100 MET QB 5.500 . 6.000 2.527 1.796 2.788 0.004 21 0 "[ . 1 . 2 . ]" 1
778 1 98 TYR H 1 100 MET QB 4.100 . 4.600 4.001 3.689 4.222 . 0 0 "[ . 1 . 2 . ]" 1
779 1 50 THR HA 1 100 MET ME 4.300 . 4.800 1.952 1.749 2.293 0.051 7 0 "[ . 1 . 2 . ]" 1
780 1 50 THR HB 1 100 MET ME 4.300 . 4.800 2.736 1.895 3.754 . 0 0 "[ . 1 . 2 . ]" 1
781 1 50 THR MG 1 100 MET ME 4.600 . 5.100 3.314 2.353 3.604 . 0 0 "[ . 1 . 2 . ]" 1
782 1 99 GLN HA 1 100 MET H 3.100 . 3.600 2.643 2.471 2.999 . 0 0 "[ . 1 . 2 . ]" 1
783 1 99 GLN H 1 100 MET H 3.100 . 3.600 3.317 2.110 3.736 0.136 24 0 "[ . 1 . 2 . ]" 1
784 1 98 TYR HA 1 100 MET H 4.500 . 5.000 4.430 4.110 4.614 . 0 0 "[ . 1 . 2 . ]" 1
785 1 98 TYR H 1 100 MET H 4.500 . 5.000 4.566 3.594 5.045 0.045 18 0 "[ . 1 . 2 . ]" 1
786 1 100 MET H 1 101 THR HA 4.500 . 5.000 4.829 4.263 5.130 0.130 12 0 "[ . 1 . 2 . ]" 1
787 1 101 THR H 1 101 THR HB 3.100 . 3.600 3.209 2.463 3.672 0.072 15 0 "[ . 1 . 2 . ]" 1
788 1 101 THR HA 1 101 THR MG 3.400 . 3.900 2.452 1.901 3.201 . 0 0 "[ . 1 . 2 . ]" 1
789 1 101 THR H 1 101 THR MG 4.300 . 4.800 2.750 1.902 3.625 . 0 0 "[ . 1 . 2 . ]" 1
790 1 100 MET HA 1 101 THR H 4.000 . 4.500 2.772 2.385 3.576 . 0 0 "[ . 1 . 2 . ]" 1
791 1 100 MET QB 1 101 THR H 4.100 . 4.600 2.432 1.841 3.094 . 0 0 "[ . 1 . 2 . ]" 1
792 1 97 ASP QB 1 102 PRO HA 5.000 . 5.500 2.782 2.151 3.605 . 0 0 "[ . 1 . 2 . ]" 1
793 1 95 THR MG 1 102 PRO HA 4.300 . 4.800 3.405 2.833 3.983 . 0 0 "[ . 1 . 2 . ]" 1
794 1 101 THR HA 1 102 PRO QD 3.100 . 3.600 2.074 1.957 2.235 . 0 0 "[ . 1 . 2 . ]" 1
795 1 101 THR MG 1 102 PRO QD 4.400 . 4.900 2.657 1.780 3.668 0.020 24 0 "[ . 1 . 2 . ]" 1
796 1 101 THR H 1 102 PRO QD 5.500 . 6.000 4.341 4.228 4.408 . 0 0 "[ . 1 . 2 . ]" 1
797 1 96 PHE QB 1 103 THR HB 5.000 . 5.500 2.277 1.897 3.083 . 0 0 "[ . 1 . 2 . ]" 1
798 1 96 PHE H 1 103 THR HB 4.500 . 5.000 3.240 2.850 3.940 . 0 0 "[ . 1 . 2 . ]" 1
799 1 103 THR H 1 103 THR HB 2.300 . 2.800 2.489 2.199 2.825 0.025 23 0 "[ . 1 . 2 . ]" 1
800 1 49 ILE QG 1 103 THR MG 5.300 . 5.800 3.737 2.981 4.067 . 0 0 "[ . 1 . 2 . ]" 1
801 1 96 PHE QB 1 103 THR MG 5.300 . 5.800 2.767 2.309 3.287 . 0 0 "[ . 1 . 2 . ]" 1
802 1 96 PHE H 1 103 THR MG 4.800 . 5.300 3.097 2.628 3.704 . 0 0 "[ . 1 . 2 . ]" 1
803 1 103 THR HA 1 103 THR MG 3.400 . 3.900 2.539 2.425 2.722 . 0 0 "[ . 1 . 2 . ]" 1
804 1 102 PRO HA 1 103 THR H 2.300 . 2.800 2.311 2.195 2.443 . 0 0 "[ . 1 . 2 . ]" 1
805 1 96 PHE H 1 104 LYS HA 3.100 . 3.600 3.691 3.654 3.734 0.134 21 0 "[ . 1 . 2 . ]" 1
806 1 95 THR HA 1 104 LYS HA 2.100 . 2.600 2.335 2.144 2.590 . 0 0 "[ . 1 . 2 . ]" 1
807 1 103 THR HA 1 104 LYS H 2.300 . 2.800 2.223 2.164 2.351 . 0 0 "[ . 1 . 2 . ]" 1
808 1 103 THR HB 1 104 LYS H 4.500 . 5.000 4.356 4.068 4.613 . 0 0 "[ . 1 . 2 . ]" 1
809 1 103 THR MG 1 104 LYS H 4.800 . 5.300 2.667 1.999 3.478 . 0 0 "[ . 1 . 2 . ]" 1
810 1 105 VAL HA 1 105 VAL HB 2.100 . 2.600 2.437 2.387 2.503 . 0 0 "[ . 1 . 2 . ]" 1
811 1 105 VAL H 1 105 VAL HB 4.000 . 4.500 3.971 3.882 4.027 . 0 0 "[ . 1 . 2 . ]" 1
812 1 104 LYS H 1 105 VAL MG1 4.300 . 4.800 3.650 3.331 3.907 . 0 0 "[ . 1 . 2 . ]" 1
813 1 96 PHE QD 1 105 VAL MG1 6.700 . 7.200 3.317 2.703 3.767 . 0 0 "[ . 1 . 2 . ]" 1
814 1 96 PHE QE 1 105 VAL MG1 6.700 . 7.200 3.385 2.674 4.235 . 0 0 "[ . 1 . 2 . ]" 1
815 1 96 PHE H 1 105 VAL MG1 4.800 . 5.300 3.484 3.166 3.955 . 0 0 "[ . 1 . 2 . ]" 1
816 1 103 THR HB 1 105 VAL MG1 4.300 . 4.800 3.866 3.489 3.971 . 0 0 "[ . 1 . 2 . ]" 1
817 1 103 THR MG 1 105 VAL MG1 3.700 . 4.200 1.839 1.697 1.912 0.103 8 0 "[ . 1 . 2 . ]" 1
818 1 105 VAL HA 1 105 VAL MG1 3.400 . 3.900 2.382 2.306 2.477 . 0 0 "[ . 1 . 2 . ]" 1
819 1 105 VAL HB 1 105 VAL MG1 2.400 . 2.900 2.150 2.124 2.158 . 0 0 "[ . 1 . 2 . ]" 1
820 1 105 VAL H 1 105 VAL MG1 3.400 . 3.900 2.982 2.773 3.119 . 0 0 "[ . 1 . 2 . ]" 1
821 1 96 PHE QD 1 105 VAL MG2 6.700 . 7.200 3.490 3.267 3.649 . 0 0 "[ . 1 . 2 . ]" 1
822 1 96 PHE QE 1 105 VAL MG2 5.800 . 6.300 2.876 2.346 3.357 . 0 0 "[ . 1 . 2 . ]" 1
823 1 96 PHE H 1 105 VAL MG2 4.300 . 4.800 3.544 3.147 3.777 . 0 0 "[ . 1 . 2 . ]" 1
824 1 96 PHE HZ 1 105 VAL MG2 4.300 . 4.800 3.050 2.524 3.668 . 0 0 "[ . 1 . 2 . ]" 1
825 1 103 THR MG 1 105 VAL MG2 4.600 . 5.100 3.360 3.245 3.495 . 0 0 "[ . 1 . 2 . ]" 1
826 1 95 THR HA 1 105 VAL MG2 4.300 . 4.800 3.543 3.073 3.718 . 0 0 "[ . 1 . 2 . ]" 1
827 1 95 THR H 1 105 VAL MG2 4.800 . 5.300 4.340 4.197 4.411 . 0 0 "[ . 1 . 2 . ]" 1
828 1 94 TYR QB 1 105 VAL MG2 4.400 . 4.900 2.716 2.526 2.936 . 0 0 "[ . 1 . 2 . ]" 1
829 1 94 TYR H 1 105 VAL MG2 3.400 . 3.900 2.998 2.631 3.145 . 0 0 "[ . 1 . 2 . ]" 1
830 1 105 VAL H 1 105 VAL MG2 3.400 . 3.900 2.309 2.107 2.516 . 0 0 "[ . 1 . 2 . ]" 1
831 1 93 GLU HA 1 105 VAL H 4.500 . 5.000 4.728 4.068 5.051 0.051 26 0 "[ . 1 . 2 . ]" 1
832 1 104 LYS HA 1 105 VAL H 2.100 . 2.600 2.309 2.240 2.470 . 0 0 "[ . 1 . 2 . ]" 1
833 1 104 LYS QB 1 105 VAL H 5.000 . 5.500 3.370 2.726 3.641 . 0 0 "[ . 1 . 2 . ]" 1
834 1 104 LYS QG 1 105 VAL H 5.000 . 5.500 2.983 2.226 4.714 . 0 0 "[ . 1 . 2 . ]" 1
835 1 96 PHE H 1 105 VAL H 4.500 . 5.000 4.527 4.321 4.820 . 0 0 "[ . 1 . 2 . ]" 1
836 1 103 THR MG 1 105 VAL H 4.800 . 5.300 4.249 4.023 4.414 . 0 0 "[ . 1 . 2 . ]" 1
837 1 95 THR HA 1 105 VAL H 3.100 . 3.600 3.319 3.080 3.597 . 0 0 "[ . 1 . 2 . ]" 1
838 1 94 TYR H 1 105 VAL H 3.100 . 3.600 3.597 3.466 3.663 0.063 8 0 "[ . 1 . 2 . ]" 1
839 1 6 PHE QE 1 106 LYS QB 7.400 . 7.900 3.295 2.156 4.573 . 0 0 "[ . 1 . 2 . ]" 1
840 1 106 LYS H 1 106 LYS QG 4.100 . 4.600 2.643 1.908 3.854 . 0 0 "[ . 1 . 2 . ]" 1
841 1 6 PHE HA 1 106 LYS QG 5.000 . 5.500 4.790 4.644 5.019 . 0 0 "[ . 1 . 2 . ]" 1
842 1 6 PHE QE 1 106 LYS QG 7.400 . 7.900 3.514 2.383 4.734 . 0 0 "[ . 1 . 2 . ]" 1
843 1 105 VAL HB 1 106 LYS H 2.300 . 2.800 2.937 2.838 2.999 0.199 15 0 "[ . 1 . 2 . ]" 1
844 1 105 VAL MG2 1 106 LYS H 4.800 . 5.300 3.688 3.526 3.823 . 0 0 "[ . 1 . 2 . ]" 1
845 1 6 PHE HZ 1 107 VAL HA 3.100 . 3.600 2.980 1.903 3.876 0.276 20 0 "[ . 1 . 2 . ]" 1
846 1 75 PHE QE 1 107 VAL HB 5.500 . 6.000 3.619 3.412 3.713 . 0 0 "[ . 1 . 2 . ]" 1
847 1 75 PHE HZ 1 107 VAL HB 3.100 . 3.600 3.547 3.299 3.637 0.037 10 0 "[ . 1 . 2 . ]" 1
848 1 92 PHE QD 1 107 VAL HB 6.400 . 6.900 4.737 4.591 4.847 . 0 0 "[ . 1 . 2 . ]" 1
849 1 92 PHE QE 1 107 VAL HB 5.500 . 6.000 3.677 3.490 3.770 . 0 0 "[ . 1 . 2 . ]" 1
850 1 92 PHE HZ 1 107 VAL HB 3.100 . 3.600 3.800 3.619 4.019 0.419 19 0 "[ . 1 . 2 . ]" 1
851 1 96 PHE HZ 1 107 VAL HB 4.000 . 4.500 4.485 3.933 4.709 0.209 18 0 "[ . 1 . 2 . ]" 1
852 1 105 VAL MG2 1 107 VAL HB 4.300 . 4.800 3.999 3.866 4.127 . 0 0 "[ . 1 . 2 . ]" 1
853 1 107 VAL HA 1 107 VAL HB 2.100 . 2.600 2.403 2.303 2.508 . 0 0 "[ . 1 . 2 . ]" 1
854 1 107 VAL H 1 107 VAL HB 4.000 . 4.500 3.662 3.580 3.921 . 0 0 "[ . 1 . 2 . ]" 1
855 1 93 GLU HA 1 107 VAL MG1 4.300 . 4.800 3.644 3.148 3.910 . 0 0 "[ . 1 . 2 . ]" 1
856 1 92 PHE QE 1 107 VAL MG1 6.700 . 7.200 2.310 1.797 3.848 0.003 19 0 "[ . 1 . 2 . ]" 1
857 1 92 PHE HZ 1 107 VAL MG1 4.300 . 4.800 3.551 3.173 3.947 . 0 0 "[ . 1 . 2 . ]" 1
858 1 96 PHE HZ 1 107 VAL MG1 4.300 . 4.800 3.143 2.128 3.856 . 0 0 "[ . 1 . 2 . ]" 1
859 1 94 TYR QB 1 107 VAL MG1 5.300 . 5.800 2.004 1.817 2.622 . 0 0 "[ . 1 . 2 . ]" 1
860 1 94 TYR H 1 107 VAL MG1 4.800 . 5.300 2.630 2.272 3.021 . 0 0 "[ . 1 . 2 . ]" 1
861 1 105 VAL MG2 1 107 VAL MG1 3.700 . 4.200 1.940 1.713 2.244 0.087 4 0 "[ . 1 . 2 . ]" 1
862 1 107 VAL HA 1 107 VAL MG1 3.400 . 3.900 2.548 2.192 2.757 . 0 0 "[ . 1 . 2 . ]" 1
863 1 107 VAL H 1 107 VAL MG1 3.400 . 3.900 2.200 1.893 2.912 . 0 0 "[ . 1 . 2 . ]" 1
864 1 92 PHE H 1 107 VAL MG2 4.800 . 5.300 1.999 1.761 2.363 0.039 17 0 "[ . 1 . 2 . ]" 1
865 1 92 PHE HZ 1 107 VAL MG2 4.300 . 4.800 2.615 2.249 2.908 . 0 0 "[ . 1 . 2 . ]" 1
866 1 107 VAL HA 1 107 VAL MG2 3.400 . 3.900 3.167 3.137 3.205 . 0 0 "[ . 1 . 2 . ]" 1
867 1 107 VAL H 1 107 VAL MG2 4.300 . 4.800 2.464 1.868 2.968 . 0 0 "[ . 1 . 2 . ]" 1
868 1 93 GLU HA 1 107 VAL H 3.100 . 3.600 3.238 3.061 3.675 0.075 17 0 "[ . 1 . 2 . ]" 1
869 1 106 LYS QB 1 107 VAL H 5.500 . 6.000 3.464 2.947 3.866 . 0 0 "[ . 1 . 2 . ]" 1
870 1 106 LYS QG 1 107 VAL H 5.000 . 5.500 4.125 3.499 4.408 . 0 0 "[ . 1 . 2 . ]" 1
871 1 91 MET HA 1 107 VAL H 4.500 . 5.000 5.002 4.494 5.163 0.163 24 0 "[ . 1 . 2 . ]" 1
872 1 92 PHE QD 1 107 VAL H 6.900 . 7.400 4.251 3.687 5.021 . 0 0 "[ . 1 . 2 . ]" 1
873 1 94 TYR H 1 107 VAL H 4.500 . 5.000 3.486 3.034 4.331 . 0 0 "[ . 1 . 2 . ]" 1
874 1 105 VAL MG2 1 107 VAL H 4.800 . 5.300 3.722 3.392 4.333 . 0 0 "[ . 1 . 2 . ]" 1
875 1 108 HIS HA 1 108 HIS HD2 2.100 . 2.600 2.369 2.119 2.561 . 0 0 "[ . 1 . 2 . ]" 1
876 1 91 MET HA 1 108 HIS HA 2.100 . 2.600 2.539 2.287 2.706 0.106 17 0 "[ . 1 . 2 . ]" 1
877 1 91 MET QB 1 108 HIS HA 5.000 . 5.500 2.647 2.093 3.954 . 0 0 "[ . 1 . 2 . ]" 1
878 1 92 PHE H 1 108 HIS HA 4.000 . 4.500 4.099 3.826 4.395 . 0 0 "[ . 1 . 2 . ]" 1
879 1 90 THR H 1 108 HIS HA 4.500 . 5.000 4.935 4.793 5.029 0.029 14 0 "[ . 1 . 2 . ]" 1
880 1 6 PHE QE 1 108 HIS QB 7.400 . 7.900 2.553 1.990 2.990 . 0 0 "[ . 1 . 2 . ]" 1
881 1 6 PHE HZ 1 108 HIS QB 5.000 . 5.500 3.109 2.501 3.645 . 0 0 "[ . 1 . 2 . ]" 1
882 1 91 MET QB 1 108 HIS HD2 5.000 . 5.500 3.066 2.378 3.539 . 0 0 "[ . 1 . 2 . ]" 1
883 1 90 THR H 1 108 HIS HD2 3.100 . 3.600 3.564 3.221 3.715 0.115 14 0 "[ . 1 . 2 . ]" 1
884 1 6 PHE QE 1 108 HIS H 6.400 . 6.900 3.177 2.358 3.926 . 0 0 "[ . 1 . 2 . ]" 1
885 1 6 PHE HZ 1 108 HIS H 3.100 . 3.600 3.157 2.158 3.684 0.084 24 0 "[ . 1 . 2 . ]" 1
886 1 107 VAL HA 1 108 HIS H 2.100 . 2.600 2.323 2.260 2.388 . 0 0 "[ . 1 . 2 . ]" 1
887 1 107 VAL HB 1 108 HIS H 2.100 . 2.600 2.767 2.693 2.830 0.230 18 0 "[ . 1 . 2 . ]" 1
888 1 107 VAL MG1 1 108 HIS H 4.300 . 4.800 3.960 3.719 4.085 . 0 0 "[ . 1 . 2 . ]" 1
889 1 89 ASN H 1 109 MET QB 6.500 . 7.000 5.639 5.142 5.927 . 0 0 "[ . 1 . 2 . ]" 1
890 1 88 LEU HG 1 109 MET QB 5.000 . 5.500 4.537 4.151 4.739 . 0 0 "[ . 1 . 2 . ]" 1
891 1 90 THR MG 1 109 MET QB 5.300 . 5.800 2.886 1.954 3.599 . 0 0 "[ . 1 . 2 . ]" 1
892 1 75 PHE HA 1 109 MET ME 4.300 . 4.800 2.774 2.062 3.231 . 0 0 "[ . 1 . 2 . ]" 1
893 1 75 PHE QD 1 109 MET ME 6.700 . 7.200 3.037 1.912 3.873 . 0 0 "[ . 1 . 2 . ]" 1
894 1 75 PHE QE 1 109 MET ME 6.700 . 7.200 3.254 2.021 4.190 . 0 0 "[ . 1 . 2 . ]" 1
895 1 79 PHE QD 1 109 MET ME 6.700 . 7.200 3.512 2.762 4.149 . 0 0 "[ . 1 . 2 . ]" 1
896 1 92 PHE QE 1 109 MET ME 5.800 . 6.300 2.305 1.823 3.700 . 0 0 "[ . 1 . 2 . ]" 1
897 1 92 PHE HZ 1 109 MET ME 3.400 . 3.900 2.926 2.143 3.217 . 0 0 "[ . 1 . 2 . ]" 1
898 1 90 THR MG 1 109 MET ME 4.600 . 5.100 2.435 1.720 3.598 0.080 21 0 "[ . 1 . 2 . ]" 1
899 1 92 PHE QE 1 109 MET QG 6.500 . 7.000 3.344 1.927 3.703 . 0 0 "[ . 1 . 2 . ]" 1
900 1 92 PHE HZ 1 109 MET QG 5.000 . 5.500 3.581 3.113 3.978 . 0 0 "[ . 1 . 2 . ]" 1
901 1 107 VAL HB 1 109 MET QG 4.100 . 4.600 3.403 3.252 3.718 . 0 0 "[ . 1 . 2 . ]" 1
902 1 107 VAL MG1 1 109 MET QG 5.300 . 5.800 4.439 4.373 4.530 . 0 0 "[ . 1 . 2 . ]" 1
903 1 108 HIS HA 1 109 MET H 2.100 . 2.600 2.236 2.191 2.354 . 0 0 "[ . 1 . 2 . ]" 1
904 1 108 HIS QB 1 109 MET H 5.500 . 6.000 3.938 3.583 4.019 . 0 0 "[ . 1 . 2 . ]" 1
905 1 108 HIS HD2 1 109 MET H 2.100 . 2.600 2.553 1.913 2.708 0.108 12 0 "[ . 1 . 2 . ]" 1
906 1 91 MET HA 1 109 MET H 3.100 . 3.600 3.321 3.067 3.672 0.072 14 0 "[ . 1 . 2 . ]" 1
907 1 90 THR MG 1 109 MET H 4.300 . 4.800 3.206 2.479 3.698 . 0 0 "[ . 1 . 2 . ]" 1
908 1 107 VAL MG2 1 109 MET H 4.800 . 5.300 3.776 2.942 4.346 . 0 0 "[ . 1 . 2 . ]" 1
909 1 89 ASN HA 1 110 LYS HA 2.100 . 2.600 2.460 2.047 2.658 0.058 24 0 "[ . 1 . 2 . ]" 1
910 1 89 ASN H 1 110 LYS HA 4.500 . 5.000 4.106 4.008 4.216 . 0 0 "[ . 1 . 2 . ]" 1
911 1 88 LEU HA 1 110 LYS HA 4.000 . 4.500 4.545 4.468 4.639 0.139 24 0 "[ . 1 . 2 . ]" 1
912 1 88 LEU HG 1 110 LYS HA 4.000 . 4.500 4.346 4.209 4.513 0.013 22 0 "[ . 1 . 2 . ]" 1
913 1 89 ASN HA 1 110 LYS QB 4.100 . 4.600 3.676 3.471 3.910 . 0 0 "[ . 1 . 2 . ]" 1
914 1 89 ASN QB 1 110 LYS QB 6.000 . 6.500 4.455 4.141 4.781 . 0 0 "[ . 1 . 2 . ]" 1
915 1 90 THR H 1 110 LYS QB 5.500 . 6.000 4.786 4.437 4.984 . 0 0 "[ . 1 . 2 . ]" 1
916 1 12 GLU QB 1 110 LYS QD 6.000 . 6.500 4.548 3.861 4.964 . 0 0 "[ . 1 . 2 . ]" 1
917 1 110 LYS H 1 110 LYS QG 4.100 . 4.600 4.166 4.081 4.218 . 0 0 "[ . 1 . 2 . ]" 1
918 1 109 MET HA 1 110 LYS H 2.100 . 2.600 2.343 2.272 2.393 . 0 0 "[ . 1 . 2 . ]" 1
919 1 109 MET QB 1 110 LYS H 4.100 . 4.600 3.083 2.901 3.506 . 0 0 "[ . 1 . 2 . ]" 1
920 1 109 MET QG 1 110 LYS H 5.000 . 5.500 4.609 4.488 4.705 . 0 0 "[ . 1 . 2 . ]" 1
921 1 111 LYS H 1 111 LYS QB 3.300 . 3.800 2.500 2.262 2.985 . 0 0 "[ . 1 . 2 . ]" 1
922 1 88 LEU QB 1 111 LYS QD 6.000 . 6.500 3.691 2.290 4.662 . 0 0 "[ . 1 . 2 . ]" 1
923 1 111 LYS H 1 111 LYS QG 4.100 . 4.600 3.279 1.877 4.084 . 0 0 "[ . 1 . 2 . ]" 1
924 1 89 ASN HA 1 111 LYS H 4.500 . 5.000 4.235 3.952 4.653 . 0 0 "[ . 1 . 2 . ]" 1
925 1 110 LYS HA 1 111 LYS H 2.300 . 2.800 2.649 2.267 2.867 0.067 9 0 "[ . 1 . 2 . ]" 1
926 1 110 LYS QB 1 111 LYS H 5.500 . 6.000 2.626 2.067 3.239 . 0 0 "[ . 1 . 2 . ]" 1
927 1 112 ALA H 1 112 ALA MB 3.400 . 3.900 2.065 1.993 2.221 . 0 0 "[ . 1 . 2 . ]" 1
928 1 110 LYS QB 1 112 ALA H 6.500 . 7.000 4.617 4.217 5.445 . 0 0 "[ . 1 . 2 . ]" 1
929 1 111 LYS HA 1 112 ALA H 2.300 . 2.800 2.208 2.156 2.285 . 0 0 "[ . 1 . 2 . ]" 1
930 1 112 ALA HA 1 113 LEU H 2.100 . 2.600 2.310 2.190 2.645 0.045 6 0 "[ . 1 . 2 . ]" 1
931 1 112 ALA MB 1 113 LEU H 3.400 . 3.900 2.899 2.309 3.269 . 0 0 "[ . 1 . 2 . ]" 1
932 1 12 GLU QB 1 113 LEU H 5.500 . 6.000 3.695 2.523 4.756 . 0 0 "[ . 1 . 2 . ]" 1
933 1 114 SER H 1 114 SER HA 2.300 . 2.800 2.737 2.343 2.931 0.131 11 0 "[ . 1 . 2 . ]" 1
934 1 114 SER H 1 114 SER QB 3.300 . 3.800 2.500 2.079 3.410 . 0 0 "[ . 1 . 2 . ]" 1
935 1 112 ALA MB 1 114 SER H 4.300 . 4.800 3.073 2.330 4.144 . 0 0 "[ . 1 . 2 . ]" 1
936 1 113 LEU HA 1 114 SER H 4.000 . 4.500 3.274 2.369 3.528 . 0 0 "[ . 1 . 2 . ]" 1
937 1 113 LEU QB 1 114 SER H 4.100 . 4.600 3.451 2.720 4.001 . 0 0 "[ . 1 . 2 . ]" 1
938 1 113 LEU H 1 114 SER H 3.100 . 3.600 2.468 1.925 3.683 0.083 6 0 "[ . 1 . 2 . ]" 1
939 1 112 ALA MB 1 115 GLY H 4.800 . 5.300 3.680 2.991 4.649 . 0 0 "[ . 1 . 2 . ]" 1
940 1 114 SER HA 1 115 GLY H 3.100 . 3.600 3.372 2.225 3.580 . 0 0 "[ . 1 . 2 . ]" 1
941 1 114 SER QB 1 115 GLY H 5.500 . 6.000 3.115 2.463 3.860 . 0 0 "[ . 1 . 2 . ]" 1
942 1 114 SER H 1 115 GLY H 3.100 . 3.600 2.763 2.281 3.608 0.008 6 0 "[ . 1 . 2 . ]" 1
943 1 115 GLY QA 1 116 ASP H 3.100 . 3.600 2.586 2.208 2.924 . 0 0 "[ . 1 . 2 . ]" 1
944 1 112 ALA MB 1 117 SER QB 5.300 . 5.800 2.379 1.635 4.209 0.165 8 0 "[ . 1 . 2 . ]" 1
945 1 112 ALA MB 1 117 SER H 4.800 . 5.300 2.649 1.780 3.460 0.020 7 0 "[ . 1 . 2 . ]" 1
946 1 112 ALA H 1 117 SER H 4.500 . 5.000 3.685 2.920 4.212 . 0 0 "[ . 1 . 2 . ]" 1
947 1 116 ASP H 1 117 SER H 3.100 . 3.600 2.763 1.895 3.082 . 0 0 "[ . 1 . 2 . ]" 1
948 1 115 GLY QA 1 117 SER H 5.500 . 6.000 4.523 3.546 5.440 . 0 0 "[ . 1 . 2 . ]" 1
949 1 113 LEU HA 1 117 SER H 4.500 . 5.000 4.752 4.098 5.109 0.109 20 0 "[ . 1 . 2 . ]" 1
950 1 112 ALA MB 1 118 TYR HA 4.300 . 4.800 3.606 2.931 3.725 . 0 0 "[ . 1 . 2 . ]" 1
951 1 112 ALA H 1 118 TYR HA 3.100 . 3.600 2.612 1.972 3.019 . 0 0 "[ . 1 . 2 . ]" 1
952 1 33 LEU QB 1 118 TYR QB 6.000 . 6.500 2.209 1.904 2.858 . 0 0 "[ . 1 . 2 . ]" 1
953 1 79 PHE QD 1 118 TYR QB 5.500 . 6.000 2.851 2.790 2.933 . 0 0 "[ . 1 . 2 . ]" 1
954 1 79 PHE HZ 1 118 TYR QB 3.100 . 3.600 3.267 3.151 3.328 . 0 0 "[ . 1 . 2 . ]" 1
955 1 112 ALA H 1 118 TYR QD 6.900 . 7.400 4.484 3.930 4.718 . 0 0 "[ . 1 . 2 . ]" 1
956 1 34 ASP HA 1 118 TYR QD 5.500 . 6.000 3.585 3.405 3.688 . 0 0 "[ . 1 . 2 . ]" 1
957 1 35 GLY QA 1 118 TYR QD 7.400 . 7.900 4.049 3.603 4.541 . 0 0 "[ . 1 . 2 . ]" 1
958 1 35 GLY H 1 118 TYR QD 6.400 . 6.900 3.881 3.383 4.539 . 0 0 "[ . 1 . 2 . ]" 1
959 1 33 LEU QB 1 118 TYR QD 6.500 . 7.000 2.723 2.659 2.855 . 0 0 "[ . 1 . 2 . ]" 1
960 1 33 LEU H 1 118 TYR QD 6.900 . 7.400 4.321 4.170 4.523 . 0 0 "[ . 1 . 2 . ]" 1
961 1 88 LEU QB 1 118 TYR QD 7.400 . 7.900 2.706 2.349 3.142 . 0 0 "[ . 1 . 2 . ]" 1
962 1 88 LEU HG 1 118 TYR QD 6.400 . 6.900 4.531 4.304 4.652 . 0 0 "[ . 1 . 2 . ]" 1
963 1 111 LYS QB 1 118 TYR QD 6.500 . 7.000 3.594 3.234 3.697 . 0 0 "[ . 1 . 2 . ]" 1
964 1 79 PHE HZ 1 118 TYR QD 5.500 . 6.000 2.605 2.084 3.087 . 0 0 "[ . 1 . 2 . ]" 1
965 1 83 VAL MG2 1 118 TYR QD 6.700 . 7.200 2.878 2.664 3.135 . 0 0 "[ . 1 . 2 . ]" 1
966 1 34 ASP HA 1 118 TYR QE 6.400 . 6.900 3.658 3.324 3.945 . 0 0 "[ . 1 . 2 . ]" 1
967 1 35 GLY QA 1 118 TYR QE 5.500 . 6.000 2.294 1.922 2.633 . 0 0 "[ . 1 . 2 . ]" 1
968 1 35 GLY H 1 118 TYR QE 5.500 . 6.000 2.578 2.041 3.352 . 0 0 "[ . 1 . 2 . ]" 1
969 1 33 LEU QB 1 118 TYR QE 7.400 . 7.900 4.594 4.545 4.650 . 0 0 "[ . 1 . 2 . ]" 1
970 1 83 VAL HA 1 118 TYR QE 5.500 . 6.000 2.063 1.913 2.391 . 0 0 "[ . 1 . 2 . ]" 1
971 1 83 VAL MG1 1 118 TYR QE 6.700 . 7.200 2.848 2.639 3.077 . 0 0 "[ . 1 . 2 . ]" 1
972 1 83 VAL MG2 1 118 TYR QE 5.800 . 6.300 2.524 2.367 2.680 . 0 0 "[ . 1 . 2 . ]" 1
973 1 34 ASP HA 1 118 TYR H 4.000 . 4.500 4.215 3.743 4.523 0.023 16 0 "[ . 1 . 2 . ]" 1
974 1 33 LEU QB 1 118 TYR H 5.500 . 6.000 3.376 3.080 3.677 . 0 0 "[ . 1 . 2 . ]" 1
975 1 33 LEU H 1 118 TYR H 3.100 . 3.600 2.605 2.264 3.080 . 0 0 "[ . 1 . 2 . ]" 1
976 1 117 SER QB 1 118 TYR H 3.100 . 3.600 2.096 1.887 3.155 . 0 0 "[ . 1 . 2 . ]" 1
977 1 32 GLN HA 1 119 TRP HA 2.100 . 2.600 2.220 1.876 2.536 . 0 0 "[ . 1 . 2 . ]" 1
978 1 31 ILE H 1 119 TRP HA 4.500 . 5.000 4.784 4.341 5.063 0.063 20 0 "[ . 1 . 2 . ]" 1
979 1 33 LEU H 1 119 TRP HA 4.500 . 5.000 3.706 3.504 4.005 . 0 0 "[ . 1 . 2 . ]" 1
980 1 110 LYS H 1 119 TRP HA 4.000 . 4.500 4.736 4.671 4.790 0.290 6 0 "[ . 1 . 2 . ]" 1
981 1 119 TRP HA 1 119 TRP HE3 3.100 . 3.600 3.967 3.876 4.016 0.416 5 0 "[ . 1 . 2 . ]" 1
982 1 112 ALA HA 1 119 TRP QB 5.000 . 5.500 4.826 4.586 4.885 . 0 0 "[ . 1 . 2 . ]" 1
983 1 110 LYS H 1 119 TRP QB 4.100 . 4.600 4.297 4.232 4.365 . 0 0 "[ . 1 . 2 . ]" 1
984 1 119 TRP H 1 119 TRP QB 3.300 . 3.800 3.074 2.967 3.153 . 0 0 "[ . 1 . 2 . ]" 1
985 1 112 ALA HA 1 119 TRP HD1 2.100 . 2.600 2.570 2.326 2.639 0.039 17 0 "[ . 1 . 2 . ]" 1
986 1 112 ALA MB 1 119 TRP HD1 3.400 . 3.900 1.736 1.689 1.779 0.111 17 0 "[ . 1 . 2 . ]" 1
987 1 112 ALA H 1 119 TRP HD1 3.100 . 3.600 3.078 2.545 3.551 . 0 0 "[ . 1 . 2 . ]" 1
988 1 12 GLU HA 1 119 TRP HD1 4.000 . 4.500 4.376 3.978 4.626 0.126 15 0 "[ . 1 . 2 . ]" 1
989 1 110 LYS H 1 119 TRP HD1 4.500 . 5.000 5.054 4.441 5.172 0.172 5 0 "[ . 1 . 2 . ]" 1
990 1 119 TRP H 1 119 TRP HD1 3.100 . 3.600 3.407 3.243 3.602 0.002 20 0 "[ . 1 . 2 . ]" 1
991 1 112 ALA HA 1 119 TRP HE1 3.100 . 3.600 2.122 1.893 2.725 . 0 0 "[ . 1 . 2 . ]" 1
992 1 112 ALA MB 1 119 TRP HE1 3.400 . 3.900 3.194 3.088 3.328 . 0 0 "[ . 1 . 2 . ]" 1
993 1 12 GLU HA 1 119 TRP HE1 4.000 . 4.500 3.767 3.080 4.095 . 0 0 "[ . 1 . 2 . ]" 1
994 1 12 GLU QB 1 119 TRP HE1 4.100 . 4.600 2.544 1.915 3.957 . 0 0 "[ . 1 . 2 . ]" 1
995 1 12 GLU QG 1 119 TRP HE1 5.500 . 6.000 3.656 1.926 5.022 . 0 0 "[ . 1 . 2 . ]" 1
996 1 112 ALA MB 1 119 TRP HE3 4.300 . 6.800 5.767 5.667 5.864 . 0 0 "[ . 1 . 2 . ]" 1
997 1 31 ILE H 1 119 TRP HE3 4.000 . 6.500 4.741 4.179 5.159 . 0 0 "[ . 1 . 2 . ]" 1
998 1 15 LEU MD1 1 119 TRP HH2 4.300 . 6.800 5.732 5.632 5.817 . 0 0 "[ . 1 . 2 . ]" 1
999 1 112 ALA MB 1 119 TRP H 4.300 . 4.800 3.469 3.115 3.774 . 0 0 "[ . 1 . 2 . ]" 1
1000 1 112 ALA H 1 119 TRP H 4.000 . 4.500 3.079 2.810 3.862 . 0 0 "[ . 1 . 2 . ]" 1
1001 1 110 LYS QB 1 119 TRP H 5.500 . 6.000 4.361 4.077 4.604 . 0 0 "[ . 1 . 2 . ]" 1
1002 1 110 LYS H 1 119 TRP H 3.100 . 3.600 2.955 2.708 3.148 . 0 0 "[ . 1 . 2 . ]" 1
1003 1 111 LYS HA 1 119 TRP H 4.500 . 5.000 3.571 3.358 3.842 . 0 0 "[ . 1 . 2 . ]" 1
1004 1 109 MET HA 1 119 TRP H 4.500 . 5.000 4.626 4.266 4.897 . 0 0 "[ . 1 . 2 . ]" 1
1005 1 118 TYR HA 1 119 TRP H 2.100 . 2.600 2.262 2.225 2.302 . 0 0 "[ . 1 . 2 . ]" 1
1006 1 118 TYR QB 1 119 TRP H 4.100 . 4.600 3.462 3.131 3.689 . 0 0 "[ . 1 . 2 . ]" 1
1007 1 32 GLN QB 1 119 TRP HZ3 5.000 . 7.500 9.117 8.182 9.437 1.937 25 26 [***********-************+*] 1
1008 1 11 ILE QG 1 119 TRP HZ3 3.100 . 5.600 4.825 4.594 4.997 . 0 0 "[ . 1 . 2 . ]" 1
1009 1 15 LEU MD1 1 119 TRP HZ3 4.300 . 6.800 5.527 5.314 5.692 . 0 0 "[ . 1 . 2 . ]" 1
1010 1 108 HIS H 1 120 VAL HA 4.000 . 4.500 4.182 3.795 4.408 . 0 0 "[ . 1 . 2 . ]" 1
1011 1 110 LYS H 1 120 VAL HA 4.000 . 4.500 3.811 3.449 3.952 . 0 0 "[ . 1 . 2 . ]" 1
1012 1 109 MET HA 1 120 VAL HA 2.100 . 2.600 2.097 1.925 2.253 . 0 0 "[ . 1 . 2 . ]" 1
1013 1 109 MET QG 1 120 VAL HA 4.100 . 4.600 2.550 1.990 3.120 . 0 0 "[ . 1 . 2 . ]" 1
1014 1 119 TRP HE3 1 120 VAL HA 5.500 . 6.000 2.865 2.392 3.122 . 0 0 "[ . 1 . 2 . ]" 1
1015 1 31 ILE H 1 120 VAL HB 4.500 . 5.000 4.186 3.910 4.432 . 0 0 "[ . 1 . 2 . ]" 1
1016 1 62 PHE QE 1 120 VAL HB 5.500 . 6.000 3.706 3.389 3.853 . 0 0 "[ . 1 . 2 . ]" 1
1017 1 120 VAL H 1 120 VAL HB 3.100 . 3.600 2.697 2.542 2.854 . 0 0 "[ . 1 . 2 . ]" 1
1018 1 109 MET QG 1 120 VAL MG1 5.300 . 5.800 1.787 1.656 1.982 0.144 11 0 "[ . 1 . 2 . ]" 1
1019 1 75 PHE QE 1 120 VAL MG1 5.800 . 6.300 2.202 1.920 2.593 . 0 0 "[ . 1 . 2 . ]" 1
1020 1 75 PHE HZ 1 120 VAL MG1 3.400 . 3.900 2.004 1.823 2.227 . 0 0 "[ . 1 . 2 . ]" 1
1021 1 107 VAL HB 1 120 VAL MG1 3.400 . 3.900 2.904 2.578 3.234 . 0 0 "[ . 1 . 2 . ]" 1
1022 1 120 VAL HA 1 120 VAL MG1 3.400 . 3.900 2.242 2.147 2.369 . 0 0 "[ . 1 . 2 . ]" 1
1023 1 75 PHE QE 1 120 VAL MG2 5.800 . 6.300 2.260 1.920 2.784 . 0 0 "[ . 1 . 2 . ]" 1
1024 1 75 PHE HZ 1 120 VAL MG2 4.300 . 4.800 3.652 3.297 3.918 . 0 0 "[ . 1 . 2 . ]" 1
1025 1 79 PHE QD 1 120 VAL MG2 6.700 . 7.200 3.488 3.152 3.831 . 0 0 "[ . 1 . 2 . ]" 1
1026 1 120 VAL HA 1 120 VAL MG2 3.400 . 3.900 2.376 2.254 2.525 . 0 0 "[ . 1 . 2 . ]" 1
1027 1 120 VAL H 1 120 VAL MG2 3.400 . 3.900 2.754 2.469 3.094 . 0 0 "[ . 1 . 2 . ]" 1
1028 1 31 ILE H 1 120 VAL H 3.100 . 3.600 3.166 2.606 3.605 0.005 3 0 "[ . 1 . 2 . ]" 1
1029 1 109 MET HA 1 120 VAL H 4.000 . 4.500 4.503 4.398 4.585 0.085 10 0 "[ . 1 . 2 . ]" 1
1030 1 119 TRP HA 1 120 VAL H 2.100 . 2.600 2.214 2.110 2.423 . 0 0 "[ . 1 . 2 . ]" 1
1031 1 119 TRP QB 1 120 VAL H 5.000 . 5.500 2.696 2.326 2.889 . 0 0 "[ . 1 . 2 . ]" 1
1032 1 119 TRP HE3 1 120 VAL H 3.100 . 3.600 3.328 2.775 3.598 . 0 0 "[ . 1 . 2 . ]" 1
1033 1 30 ALA HA 1 121 PHE HA 3.100 . 3.600 2.508 1.952 2.926 . 0 0 "[ . 1 . 2 . ]" 1
1034 1 31 ILE H 1 121 PHE HA 3.100 . 3.600 3.264 2.911 3.653 0.053 25 0 "[ . 1 . 2 . ]" 1
1035 1 28 PHE QD 1 121 PHE QB 6.500 . 7.000 2.256 1.822 3.659 . 0 0 "[ . 1 . 2 . ]" 1
1036 1 6 PHE QD 1 121 PHE QB 7.400 . 7.900 3.990 2.940 4.417 . 0 0 "[ . 1 . 2 . ]" 1
1037 1 6 PHE QE 1 121 PHE QB 6.500 . 7.000 2.422 1.954 2.709 . 0 0 "[ . 1 . 2 . ]" 1
1038 1 30 ALA HA 1 121 PHE QD 5.500 . 6.000 1.893 1.780 2.053 0.020 17 0 "[ . 1 . 2 . ]" 1
1039 1 30 ALA MB 1 121 PHE QD 5.800 . 6.300 2.998 2.555 3.367 . 0 0 "[ . 1 . 2 . ]" 1
1040 1 108 HIS QB 1 121 PHE QD 7.400 . 7.900 3.585 3.065 3.894 . 0 0 "[ . 1 . 2 . ]" 1
1041 1 108 HIS H 1 121 PHE QD 6.900 . 7.400 5.204 5.051 5.308 . 0 0 "[ . 1 . 2 . ]" 1
1042 1 11 ILE MD 1 121 PHE QD 5.800 . 6.300 3.697 2.000 4.023 . 0 0 "[ . 1 . 2 . ]" 1
1043 1 31 ILE H 1 121 PHE QD 5.500 . 6.000 2.589 2.213 2.929 . 0 0 "[ . 1 . 2 . ]" 1
1044 1 110 LYS QB 1 121 PHE QD 7.400 . 7.900 5.355 5.202 5.646 . 0 0 "[ . 1 . 2 . ]" 1
1045 1 119 TRP HE3 1 121 PHE QD 4.500 . 5.000 3.041 2.879 3.231 . 0 0 "[ . 1 . 2 . ]" 1
1046 1 119 TRP HZ3 1 121 PHE QD 6.400 . 6.900 2.945 2.685 3.172 . 0 0 "[ . 1 . 2 . ]" 1
1047 1 30 ALA MB 1 121 PHE QE 5.800 . 6.300 2.665 2.461 2.975 . 0 0 "[ . 1 . 2 . ]" 1
1048 1 11 ILE QG 1 121 PHE QE 7.400 . 7.900 2.279 2.065 2.792 . 0 0 "[ . 1 . 2 . ]" 1
1049 1 11 ILE MG 1 121 PHE QE 5.800 . 6.300 2.787 2.587 3.074 . 0 0 "[ . 1 . 2 . ]" 1
1050 1 15 LEU MD1 1 121 PHE QE 5.800 . 6.300 2.332 2.099 2.605 . 0 0 "[ . 1 . 2 . ]" 1
1051 1 15 LEU MD2 1 121 PHE QE 5.800 . 6.300 3.668 3.520 3.929 . 0 0 "[ . 1 . 2 . ]" 1
1052 1 110 LYS QB 1 121 PHE QE 7.400 . 7.900 4.654 4.530 4.726 . 0 0 "[ . 1 . 2 . ]" 1
1053 1 110 LYS H 1 121 PHE QE 6.900 . 7.400 5.144 5.063 5.264 . 0 0 "[ . 1 . 2 . ]" 1
1054 1 119 TRP QB 1 121 PHE QE 6.500 . 7.000 2.045 1.896 2.287 . 0 0 "[ . 1 . 2 . ]" 1
1055 1 119 TRP HE3 1 121 PHE QE 4.500 . 5.000 2.974 2.817 3.162 . 0 0 "[ . 1 . 2 . ]" 1
1056 1 108 HIS QB 1 121 PHE H 5.000 . 5.500 3.694 3.051 4.018 . 0 0 "[ . 1 . 2 . ]" 1
1057 1 110 LYS H 1 121 PHE H 4.500 . 5.000 4.707 4.534 4.913 . 0 0 "[ . 1 . 2 . ]" 1
1058 1 109 MET HA 1 121 PHE H 3.100 . 3.600 2.885 2.521 3.613 0.013 25 0 "[ . 1 . 2 . ]" 1
1059 1 120 VAL HA 1 121 PHE H 2.100 . 2.600 2.207 2.171 2.240 . 0 0 "[ . 1 . 2 . ]" 1
1060 1 120 VAL MG1 1 121 PHE H 3.400 . 3.900 2.915 2.515 3.111 . 0 0 "[ . 1 . 2 . ]" 1
1061 1 12 GLU QB 1 121 PHE HZ 5.000 . 5.500 3.710 2.997 4.605 . 0 0 "[ . 1 . 2 . ]" 1
1062 1 11 ILE QG 1 121 PHE HZ 5.000 . 5.500 3.717 3.457 4.182 . 0 0 "[ . 1 . 2 . ]" 1
1063 1 11 ILE MG 1 121 PHE HZ 3.400 . 3.900 2.623 2.293 3.125 . 0 0 "[ . 1 . 2 . ]" 1
1064 1 15 LEU MD1 1 121 PHE HZ 3.400 . 3.900 2.000 1.788 2.265 0.012 19 0 "[ . 1 . 2 . ]" 1
1065 1 15 LEU HG 1 121 PHE HZ 4.000 . 4.500 4.359 3.995 4.574 0.074 24 0 "[ . 1 . 2 . ]" 1
1066 1 119 TRP QB 1 121 PHE HZ 4.100 . 4.600 3.531 3.286 3.826 . 0 0 "[ . 1 . 2 . ]" 1
1067 1 119 TRP HE1 1 121 PHE HZ 4.500 . 5.000 4.012 3.827 4.232 . 0 0 "[ . 1 . 2 . ]" 1
1068 1 119 TRP HE3 1 121 PHE HZ 3.100 . 3.600 3.748 3.655 3.826 0.226 24 0 "[ . 1 . 2 . ]" 1
1069 1 108 HIS H 1 122 VAL HA 3.100 . 3.600 3.722 3.646 3.810 0.210 15 0 "[ . 1 . 2 . ]" 1
1070 1 28 PHE QB 1 122 VAL HA 4.100 . 4.600 4.038 3.796 4.242 . 0 0 "[ . 1 . 2 . ]" 1
1071 1 6 PHE QE 1 122 VAL HA 5.500 . 6.000 3.570 2.801 3.840 . 0 0 "[ . 1 . 2 . ]" 1
1072 1 6 PHE HZ 1 122 VAL HA 3.100 . 3.600 3.095 2.516 3.589 . 0 0 "[ . 1 . 2 . ]" 1
1073 1 29 GLY QA 1 122 VAL HB 4.100 . 4.600 3.800 3.634 3.882 . 0 0 "[ . 1 . 2 . ]" 1
1074 1 29 GLY H 1 122 VAL HB 4.500 . 5.000 3.539 3.099 3.997 . 0 0 "[ . 1 . 2 . ]" 1
1075 1 122 VAL H 1 122 VAL HB 3.100 . 3.600 2.311 2.221 2.441 . 0 0 "[ . 1 . 2 . ]" 1
1076 1 96 PHE QE 1 122 VAL MG1 5.800 . 6.300 2.034 1.867 2.609 . 0 0 "[ . 1 . 2 . ]" 1
1077 1 96 PHE HZ 1 122 VAL MG1 4.300 . 4.800 3.582 3.268 3.836 . 0 0 "[ . 1 . 2 . ]" 1
1078 1 105 VAL MG1 1 122 VAL MG1 3.700 . 4.200 1.912 1.770 2.300 0.030 26 0 "[ . 1 . 2 . ]" 1
1079 1 105 VAL MG2 1 122 VAL MG1 4.600 . 5.100 2.324 2.073 2.639 . 0 0 "[ . 1 . 2 . ]" 1
1080 1 122 VAL HA 1 122 VAL MG1 3.400 . 3.900 2.764 2.699 2.862 . 0 0 "[ . 1 . 2 . ]" 1
1081 1 122 VAL HB 1 122 VAL MG1 2.400 . 2.900 2.140 2.118 2.157 . 0 0 "[ . 1 . 2 . ]" 1
1082 1 96 PHE HZ 1 122 VAL MG2 3.400 . 3.900 1.897 1.770 2.215 0.030 1 0 "[ . 1 . 2 . ]" 1
1083 1 105 VAL HB 1 122 VAL MG2 3.400 . 3.900 3.140 3.033 3.276 . 0 0 "[ . 1 . 2 . ]" 1
1084 1 107 VAL HB 1 122 VAL MG2 4.300 . 4.800 2.905 2.410 3.471 . 0 0 "[ . 1 . 2 . ]" 1
1085 1 107 VAL MG1 1 122 VAL MG2 4.600 . 5.100 2.325 1.766 2.834 0.034 10 0 "[ . 1 . 2 . ]" 1
1086 1 122 VAL HA 1 122 VAL MG2 3.400 . 3.900 1.991 1.896 2.129 . 0 0 "[ . 1 . 2 . ]" 1
1087 1 122 VAL HB 1 122 VAL MG2 2.400 . 2.900 2.110 2.098 2.137 . 0 0 "[ . 1 . 2 . ]" 1
1088 1 122 VAL H 1 122 VAL MG2 3.400 . 3.900 3.306 3.218 3.374 . 0 0 "[ . 1 . 2 . ]" 1
1089 1 30 ALA HA 1 122 VAL H 4.000 . 4.500 4.039 3.422 4.492 . 0 0 "[ . 1 . 2 . ]" 1
1090 1 29 GLY H 1 122 VAL H 4.000 . 4.500 3.001 2.057 3.651 . 0 0 "[ . 1 . 2 . ]" 1
1091 1 31 ILE QG 1 122 VAL H 5.500 . 6.000 5.104 4.619 5.414 . 0 0 "[ . 1 . 2 . ]" 1
1092 1 31 ILE MG 1 122 VAL H 4.800 . 5.300 4.160 3.948 4.292 . 0 0 "[ . 1 . 2 . ]" 1
1093 1 121 PHE HA 1 122 VAL H 2.100 . 2.600 2.204 2.164 2.261 . 0 0 "[ . 1 . 2 . ]" 1
1094 1 121 PHE QB 1 122 VAL H 5.000 . 5.500 3.291 2.975 3.608 . 0 0 "[ . 1 . 2 . ]" 1
1095 1 121 PHE QD 1 122 VAL H 6.400 . 6.900 4.098 3.939 4.331 . 0 0 "[ . 1 . 2 . ]" 1
1096 1 28 PHE QD 1 122 VAL H 7.900 . 8.400 4.122 3.433 4.998 . 0 0 "[ . 1 . 2 . ]" 1
1097 1 6 PHE QE 1 122 VAL H 6.900 . 7.400 4.461 3.991 4.937 . 0 0 "[ . 1 . 2 . ]" 1
1098 1 29 GLY H 1 123 LYS HA 4.500 . 5.000 4.189 3.670 4.705 . 0 0 "[ . 1 . 2 . ]" 1
1099 1 106 LYS QB 1 123 LYS QB 7.500 . 8.000 3.068 1.631 3.959 0.169 4 0 "[ . 1 . 2 . ]" 1
1100 1 106 LYS QD 1 123 LYS QB 6.000 . 6.500 2.385 1.857 3.461 . 0 0 "[ . 1 . 2 . ]" 1
1101 1 106 LYS H 1 123 LYS QB 3.300 . 3.800 2.748 2.030 3.350 . 0 0 "[ . 1 . 2 . ]" 1
1102 1 121 PHE QB 1 123 LYS QB 6.000 . 6.500 4.595 4.141 5.016 . 0 0 "[ . 1 . 2 . ]" 1
1103 1 6 PHE QD 1 123 LYS QB 6.500 . 7.000 3.045 2.686 3.842 . 0 0 "[ . 1 . 2 . ]" 1
1104 1 6 PHE QE 1 123 LYS QB 5.500 . 6.000 2.706 2.319 2.844 . 0 0 "[ . 1 . 2 . ]" 1
1105 1 6 PHE HZ 1 123 LYS QB 5.000 . 5.500 3.170 2.670 3.754 . 0 0 "[ . 1 . 2 . ]" 1
1106 1 121 PHE QB 1 123 LYS QD 5.100 . 5.600 4.161 3.282 4.904 . 0 0 "[ . 1 . 2 . ]" 1
1107 1 6 PHE H 1 123 LYS QD 6.500 . 7.000 4.625 3.662 6.094 . 0 0 "[ . 1 . 2 . ]" 1
1108 1 5 ALA MB 1 123 LYS QE 4.300 . 4.800 4.136 3.915 4.378 . 0 0 "[ . 1 . 2 . ]" 1
1109 1 8 SER QB 1 123 LYS QE 5.000 . 5.500 4.063 2.986 4.470 . 0 0 "[ . 1 . 2 . ]" 1
1110 1 123 LYS H 1 123 LYS QG 4.100 . 4.600 4.049 3.392 4.161 . 0 0 "[ . 1 . 2 . ]" 1
1111 1 6 PHE QD 1 123 LYS QG 7.400 . 7.900 3.632 2.157 4.408 . 0 0 "[ . 1 . 2 . ]" 1
1112 1 6 PHE HZ 1 123 LYS QG 4.100 . 4.600 4.954 4.200 5.159 0.559 11 4 "[*- . 1+ .* 2 . ]" 1
1113 1 108 HIS H 1 123 LYS H 4.500 . 5.000 4.716 4.592 4.892 . 0 0 "[ . 1 . 2 . ]" 1
1114 1 106 LYS QB 1 123 LYS H 5.500 . 6.000 4.299 3.112 4.935 . 0 0 "[ . 1 . 2 . ]" 1
1115 1 106 LYS QG 1 123 LYS H 5.500 . 6.000 3.815 2.829 5.516 . 0 0 "[ . 1 . 2 . ]" 1
1116 1 106 LYS H 1 123 LYS H 3.100 . 3.600 3.371 2.885 3.641 0.041 25 0 "[ . 1 . 2 . ]" 1
1117 1 6 PHE QE 1 123 LYS H 6.400 . 6.900 3.050 2.434 3.563 . 0 0 "[ . 1 . 2 . ]" 1
1118 1 6 PHE HZ 1 123 LYS H 4.500 . 5.000 2.912 2.106 3.906 . 0 0 "[ . 1 . 2 . ]" 1
1119 1 107 VAL HA 1 123 LYS H 2.300 . 2.800 3.034 2.867 3.215 0.415 24 0 "[ . 1 . 2 . ]" 1
1120 1 122 VAL HA 1 123 LYS H 2.100 . 2.600 2.115 2.060 2.168 . 0 0 "[ . 1 . 2 . ]" 1
1121 1 122 VAL HB 1 123 LYS H 4.500 . 5.000 4.522 4.377 4.566 . 0 0 "[ . 1 . 2 . ]" 1
1122 1 122 VAL MG1 1 123 LYS H 3.400 . 3.900 3.030 2.634 3.189 . 0 0 "[ . 1 . 2 . ]" 1
1123 1 106 LYS H 1 124 ARG HA 4.500 . 5.000 4.114 3.686 4.380 . 0 0 "[ . 1 . 2 . ]" 1
1124 1 105 VAL HA 1 124 ARG HA 2.100 . 2.600 2.774 2.683 2.872 0.272 18 0 "[ . 1 . 2 . ]" 1
1125 1 105 VAL MG1 1 124 ARG HA 3.400 . 3.900 2.005 1.837 2.608 . 0 0 "[ . 1 . 2 . ]" 1
1126 1 49 ILE HB 1 124 ARG QB 5.000 . 5.500 4.751 4.610 4.992 . 0 0 "[ . 1 . 2 . ]" 1
1127 1 103 THR MG 1 124 ARG QB 5.300 . 5.800 3.994 3.400 4.209 . 0 0 "[ . 1 . 2 . ]" 1
1128 1 105 VAL MG1 1 124 ARG QB 5.300 . 5.800 3.383 3.039 3.780 . 0 0 "[ . 1 . 2 . ]" 1
1129 1 124 ARG H 1 124 ARG QD 5.000 . 5.500 4.482 4.021 4.695 . 0 0 "[ . 1 . 2 . ]" 1
1130 1 49 ILE HA 1 124 ARG QD 5.000 . 5.500 4.828 4.385 4.988 . 0 0 "[ . 1 . 2 . ]" 1
1131 1 49 ILE QG 1 124 ARG QD 6.000 . 6.500 1.992 1.831 2.339 . 0 0 "[ . 1 . 2 . ]" 1
1132 1 105 VAL MG1 1 124 ARG QD 5.300 . 5.800 3.752 3.251 4.226 . 0 0 "[ . 1 . 2 . ]" 1
1133 1 124 ARG H 1 124 ARG QG 4.100 . 4.600 3.915 1.915 4.052 . 0 0 "[ . 1 . 2 . ]" 1
1134 1 106 LYS QD 1 124 ARG H 5.500 . 6.000 5.114 4.612 5.556 . 0 0 "[ . 1 . 2 . ]" 1
1135 1 123 LYS HA 1 124 ARG H 2.100 . 2.600 2.263 2.201 2.422 . 0 0 "[ . 1 . 2 . ]" 1
1136 1 123 LYS QB 1 124 ARG H 4.100 . 4.600 3.660 3.129 3.916 . 0 0 "[ . 1 . 2 . ]" 1
1137 1 104 LYS QB 1 125 VAL HB 3.100 . 3.600 2.734 2.159 3.300 . 0 0 "[ . 1 . 2 . ]" 1
1138 1 125 VAL H 1 125 VAL HB 3.100 . 3.600 3.017 2.542 3.598 . 0 0 "[ . 1 . 2 . ]" 1
1139 1 104 LYS QG 1 125 VAL MG1 5.300 . 5.800 3.945 3.292 4.341 . 0 0 "[ . 1 . 2 . ]" 1
1140 1 106 LYS QD 1 125 VAL MG1 5.300 . 5.800 2.328 1.795 3.050 0.005 22 0 "[ . 1 . 2 . ]" 1
1141 1 106 LYS QG 1 125 VAL MG1 5.300 . 5.800 4.069 3.498 4.243 . 0 0 "[ . 1 . 2 . ]" 1
1142 1 105 VAL HA 1 125 VAL MG1 4.300 . 4.800 4.096 1.921 4.300 . 0 0 "[ . 1 . 2 . ]" 1
1143 1 125 VAL HA 1 125 VAL MG1 3.400 . 3.900 2.074 1.912 2.364 . 0 0 "[ . 1 . 2 . ]" 1
1144 1 125 VAL HB 1 125 VAL MG1 2.400 . 2.900 2.124 2.099 2.145 . 0 0 "[ . 1 . 2 . ]" 1
1145 1 104 LYS QG 1 125 VAL MG2 5.300 . 5.800 2.869 2.373 4.236 . 0 0 "[ . 1 . 2 . ]" 1
1146 1 105 VAL HA 1 125 VAL MG2 3.400 . 3.900 1.813 1.704 3.163 0.096 25 0 "[ . 1 . 2 . ]" 1
1147 1 125 VAL HA 1 125 VAL MG2 3.400 . 3.900 2.728 2.405 3.167 . 0 0 "[ . 1 . 2 . ]" 1
1148 1 125 VAL H 1 125 VAL MG2 3.400 . 3.900 1.989 1.837 2.240 . 0 0 "[ . 1 . 2 . ]" 1
1149 1 124 ARG HA 1 125 VAL H 2.100 . 2.600 2.159 2.116 2.270 . 0 0 "[ . 1 . 2 . ]" 1
1150 1 124 ARG QB 1 125 VAL H 5.000 . 5.500 3.785 3.527 3.928 . 0 0 "[ . 1 . 2 . ]" 1
1151 1 104 LYS QB 1 125 VAL H 4.100 . 4.600 3.792 3.277 4.134 . 0 0 "[ . 1 . 2 . ]" 1
1152 1 104 LYS QG 1 125 VAL H 5.500 . 6.000 4.575 2.454 5.504 . 0 0 "[ . 1 . 2 . ]" 1
1153 1 106 LYS QD 1 125 VAL H 5.500 . 6.000 4.184 3.692 5.301 . 0 0 "[ . 1 . 2 . ]" 1
1154 1 106 LYS H 1 125 VAL H 4.500 . 5.000 3.857 3.447 4.133 . 0 0 "[ . 1 . 2 . ]" 1
1155 1 103 THR MG 1 125 VAL H 4.800 . 5.300 4.199 3.744 4.416 . 0 0 "[ . 1 . 2 . ]" 1
1156 1 105 VAL HA 1 125 VAL H 2.100 . 2.600 2.270 2.018 2.639 0.039 4 0 "[ . 1 . 2 . ]" 1
1157 1 42 TYR HH 1 52 ARG HB2 3.000 . 4.000 2.570 1.939 3.731 . 0 0 "[ . 1 . 2 . ]" 1
1158 1 42 TYR HH 1 52 ARG HB3 3.000 . 4.000 3.254 2.779 4.032 0.032 4 0 "[ . 1 . 2 . ]" 1
1159 1 42 TYR HH 1 50 THR MG 3.000 . 4.000 3.238 3.002 3.366 . 0 0 "[ . 1 . 2 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 62
_Distance_constraint_stats_list.Viol_count 364
_Distance_constraint_stats_list.Viol_total 757.645
_Distance_constraint_stats_list.Viol_max 0.381
_Distance_constraint_stats_list.Viol_rms 0.0444
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0181
_Distance_constraint_stats_list.Viol_average_violations_only 0.0801
_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 27 ALA 4.652 0.203 24 0 "[ . 1 . 2 . ]"
1 29 GLY 0.397 0.091 3 0 "[ . 1 . 2 . ]"
1 30 ALA 4.610 0.358 13 0 "[ . 1 . 2 . ]"
1 31 ILE 0.526 0.089 14 0 "[ . 1 . 2 . ]"
1 32 GLN 0.197 0.158 14 0 "[ . 1 . 2 . ]"
1 33 LEU 0.477 0.053 19 0 "[ . 1 . 2 . ]"
1 34 ASP 5.428 0.381 14 0 "[ . 1 . 2 . ]"
1 37 GLY 0.600 0.108 22 0 "[ . 1 . 2 . ]"
1 38 ASN 5.428 0.381 14 0 "[ . 1 . 2 . ]"
1 39 ILE 1.431 0.142 11 0 "[ . 1 . 2 . ]"
1 40 LEU 0.197 0.158 14 0 "[ . 1 . 2 . ]"
1 42 TYR 4.610 0.358 13 0 "[ . 1 . 2 . ]"
1 45 ALA 1.149 0.102 14 0 "[ . 1 . 2 . ]"
1 49 ILE 1.149 0.102 14 0 "[ . 1 . 2 . ]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 60 LYS 1.431 0.142 11 0 "[ . 1 . 2 . ]"
1 62 PHE 0.600 0.108 22 0 "[ . 1 . 2 . ]"
1 67 ALA 1.093 0.089 21 0 "[ . 1 . 2 . ]"
1 70 THR 1.093 0.089 21 0 "[ . 1 . 2 . ]"
1 72 SER 2.199 0.152 17 0 "[ . 1 . 2 . ]"
1 75 PHE 3.622 0.206 6 0 "[ . 1 . 2 . ]"
1 76 TYR 2.199 0.152 17 0 "[ . 1 . 2 . ]"
1 79 PHE 3.622 0.206 6 0 "[ . 1 . 2 . ]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 90 THR 0.014 0.014 7 0 "[ . 1 . 2 . ]"
1 92 PHE 2.104 0.146 17 0 "[ . 1 . 2 . ]"
1 94 TYR 0.490 0.120 7 0 "[ . 1 . 2 . ]"
1 96 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 103 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 105 VAL 0.490 0.120 7 0 "[ . 1 . 2 . ]"
1 106 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 107 VAL 2.104 0.146 17 0 "[ . 1 . 2 . ]"
1 108 HIS 0.150 0.127 25 0 "[ . 1 . 2 . ]"
1 109 MET 0.014 0.014 7 0 "[ . 1 . 2 . ]"
1 110 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 118 TYR 0.477 0.053 19 0 "[ . 1 . 2 . ]"
1 119 TRP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 120 VAL 0.526 0.089 14 0 "[ . 1 . 2 . ]"
1 121 PHE 0.150 0.127 25 0 "[ . 1 . 2 . ]"
1 122 VAL 0.397 0.091 3 0 "[ . 1 . 2 . ]"
1 123 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 124 ARG 4.652 0.203 24 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 30 ALA H 1 42 TYR O 2.000 . 2.500 2.665 2.585 2.858 0.358 13 0 "[ . 1 . 2 . ]" 2
2 1 30 ALA N 1 42 TYR O 3.000 2.300 3.500 3.371 3.081 3.629 0.129 16 0 "[ . 1 . 2 . ]" 2
3 1 31 ILE H 1 120 VAL O 2.000 . 2.500 2.445 2.147 2.589 0.089 14 0 "[ . 1 . 2 . ]" 2
4 1 31 ILE N 1 120 VAL O 3.000 2.300 3.500 3.380 3.097 3.499 . 0 0 "[ . 1 . 2 . ]" 2
5 1 33 LEU H 1 118 TYR O 2.000 . 2.500 2.412 2.132 2.553 0.053 19 0 "[ . 1 . 2 . ]" 2
6 1 33 LEU N 1 118 TYR O 3.000 2.300 3.500 2.805 2.573 2.985 . 0 0 "[ . 1 . 2 . ]" 2
7 1 34 ASP H 1 38 ASN O 2.000 . 2.500 2.186 2.010 2.377 . 0 0 "[ . 1 . 2 . ]" 2
8 1 34 ASP N 1 38 ASN O 3.000 2.300 3.500 2.987 2.811 3.133 . 0 0 "[ . 1 . 2 . ]" 2
9 1 34 ASP O 1 38 ASN H 2.000 . 2.500 2.651 2.532 2.881 0.381 14 0 "[ . 1 . 2 . ]" 2
10 1 34 ASP O 1 38 ASN N 3.000 2.300 3.500 3.554 3.436 3.617 0.117 24 0 "[ . 1 . 2 . ]" 2
11 1 39 ILE H 1 60 LYS O 2.000 . 2.500 2.548 2.457 2.642 0.142 11 0 "[ . 1 . 2 . ]" 2
12 1 39 ILE N 1 60 LYS O 3.000 2.300 3.500 3.478 3.366 3.522 0.022 23 0 "[ . 1 . 2 . ]" 2
13 1 32 GLN O 1 40 LEU H 2.000 . 2.500 2.337 2.147 2.658 0.158 14 0 "[ . 1 . 2 . ]" 2
14 1 32 GLN O 1 40 LEU N 3.000 2.300 3.500 3.226 3.040 3.525 0.025 14 0 "[ . 1 . 2 . ]" 2
15 1 45 ALA O 1 49 ILE H 2.000 . 2.500 2.538 2.410 2.602 0.102 14 0 "[ . 1 . 2 . ]" 2
16 1 45 ALA O 1 49 ILE N 3.000 2.300 3.500 3.371 3.241 3.466 . 0 0 "[ . 1 . 2 . ]" 2
17 1 37 GLY O 1 62 PHE H 2.000 . 2.500 2.412 2.172 2.608 0.108 22 0 "[ . 1 . 2 . ]" 2
18 1 37 GLY O 1 62 PHE N 3.000 2.300 3.500 3.210 2.983 3.400 . 0 0 "[ . 1 . 2 . ]" 2
19 1 72 SER O 1 76 TYR H 2.000 . 2.500 2.585 2.540 2.652 0.152 17 0 "[ . 1 . 2 . ]" 2
20 1 72 SER O 1 76 TYR N 3.000 2.300 3.500 3.121 3.019 3.266 . 0 0 "[ . 1 . 2 . ]" 2
21 1 75 PHE O 1 79 PHE H 2.000 . 2.500 2.639 2.595 2.706 0.206 6 0 "[ . 1 . 2 . ]" 2
22 1 75 PHE O 1 79 PHE N 3.000 2.300 3.500 3.369 3.318 3.430 . 0 0 "[ . 1 . 2 . ]" 2
23 1 92 PHE H 1 107 VAL O 2.000 . 2.500 2.568 2.393 2.646 0.146 17 0 "[ . 1 . 2 . ]" 2
24 1 92 PHE N 1 107 VAL O 3.000 2.300 3.500 3.468 3.308 3.525 0.025 17 0 "[ . 1 . 2 . ]" 2
25 1 94 TYR H 1 105 VAL O 2.000 . 2.500 2.360 2.153 2.620 0.120 7 0 "[ . 1 . 2 . ]" 2
26 1 94 TYR N 1 105 VAL O 3.000 2.300 3.500 3.264 3.022 3.476 . 0 0 "[ . 1 . 2 . ]" 2
27 1 96 PHE H 1 103 THR O 2.000 . 2.500 2.204 2.105 2.394 . 0 0 "[ . 1 . 2 . ]" 2
28 1 96 PHE N 1 103 THR O 3.000 2.300 3.500 2.913 2.754 3.123 . 0 0 "[ . 1 . 2 . ]" 2
29 1 94 TYR O 1 105 VAL H 2.000 . 2.500 2.296 2.165 2.515 0.015 20 0 "[ . 1 . 2 . ]" 2
30 1 94 TYR O 1 105 VAL N 3.000 2.300 3.500 3.229 2.912 3.444 . 0 0 "[ . 1 . 2 . ]" 2
31 1 106 LYS H 1 123 LYS O 2.000 . 2.500 2.154 2.038 2.371 . 0 0 "[ . 1 . 2 . ]" 2
32 1 106 LYS N 1 123 LYS O 3.000 2.300 3.500 2.976 2.832 3.130 . 0 0 "[ . 1 . 2 . ]" 2
33 1 92 PHE O 1 107 VAL H 2.000 . 2.500 2.189 2.102 2.512 0.012 8 0 "[ . 1 . 2 . ]" 2
34 1 92 PHE O 1 107 VAL N 3.000 2.300 3.500 3.103 2.930 3.264 . 0 0 "[ . 1 . 2 . ]" 2
35 1 108 HIS H 1 121 PHE O 2.000 . 2.500 2.238 2.130 2.627 0.127 25 0 "[ . 1 . 2 . ]" 2
36 1 108 HIS N 1 121 PHE O 3.000 2.300 3.500 3.020 2.882 3.370 . 0 0 "[ . 1 . 2 . ]" 2
37 1 110 LYS H 1 119 TRP O 2.000 . 2.500 2.080 2.025 2.149 . 0 0 "[ . 1 . 2 . ]" 2
38 1 110 LYS N 1 119 TRP O 3.000 2.300 3.500 2.883 2.796 2.955 . 0 0 "[ . 1 . 2 . ]" 2
39 1 33 LEU O 1 118 TYR H 2.000 . 2.500 2.404 2.189 2.543 0.043 26 0 "[ . 1 . 2 . ]" 2
40 1 33 LEU O 1 118 TYR N 3.000 2.300 3.500 3.250 3.077 3.476 . 0 0 "[ . 1 . 2 . ]" 2
41 1 110 LYS O 1 119 TRP H 2.000 . 2.500 2.128 2.083 2.167 . 0 0 "[ . 1 . 2 . ]" 2
42 1 110 LYS O 1 119 TRP N 3.000 2.300 3.500 3.041 2.989 3.102 . 0 0 "[ . 1 . 2 . ]" 2
43 1 31 ILE O 1 120 VAL H 2.000 . 2.500 2.175 2.125 2.457 . 0 0 "[ . 1 . 2 . ]" 2
44 1 31 ILE O 1 120 VAL N 3.000 2.300 3.500 2.983 2.887 3.173 . 0 0 "[ . 1 . 2 . ]" 2
45 1 108 HIS O 1 121 PHE H 2.000 . 2.500 2.074 2.018 2.123 . 0 0 "[ . 1 . 2 . ]" 2
46 1 108 HIS O 1 121 PHE N 3.000 2.300 3.500 2.984 2.741 3.074 . 0 0 "[ . 1 . 2 . ]" 2
47 1 29 GLY O 1 122 VAL H 2.000 . 2.500 2.276 2.113 2.531 0.031 13 0 "[ . 1 . 2 . ]" 2
48 1 29 GLY O 1 122 VAL N 3.000 2.300 3.500 3.114 2.898 3.400 . 0 0 "[ . 1 . 2 . ]" 2
49 1 106 LYS O 1 123 LYS H 2.000 . 2.500 2.106 1.889 2.431 . 0 0 "[ . 1 . 2 . ]" 2
50 1 106 LYS O 1 123 LYS N 3.000 2.300 3.500 3.031 2.789 3.373 . 0 0 "[ . 1 . 2 . ]" 2
51 1 27 ALA O 1 124 ARG H 2.000 . 2.500 2.621 2.546 2.703 0.203 24 0 "[ . 1 . 2 . ]" 2
52 1 27 ALA O 1 124 ARG N 3.000 2.300 3.500 3.555 3.450 3.624 0.124 12 0 "[ . 1 . 2 . ]" 2
53 1 29 GLY H 1 122 VAL O 2.000 . 2.500 2.371 2.144 2.591 0.091 3 0 "[ . 1 . 2 . ]" 2
54 1 29 GLY N 1 122 VAL O 3.000 2.300 3.500 3.047 2.694 3.278 . 0 0 "[ . 1 . 2 . ]" 2
55 1 53 ASP O 1 57 VAL H 2.000 . 2.500 2.201 2.132 2.382 . 0 0 "[ . 1 . 2 . ]" 2
56 1 53 ASP O 1 57 VAL N 3.000 2.300 3.500 3.107 2.974 3.311 . 0 0 "[ . 1 . 2 . ]" 2
57 1 67 ALA O 1 70 THR H 2.000 . 2.500 2.531 2.369 2.589 0.089 21 0 "[ . 1 . 2 . ]" 2
58 1 67 ALA O 1 70 THR N 3.000 2.300 3.500 3.380 3.204 3.458 . 0 0 "[ . 1 . 2 . ]" 2
59 1 76 TYR O 1 80 LYS H 2.000 . 2.500 2.022 1.989 2.052 . 0 0 "[ . 1 . 2 . ]" 2
60 1 76 TYR O 1 80 LYS N 3.000 2.300 3.500 2.860 2.824 2.899 . 0 0 "[ . 1 . 2 . ]" 2
61 1 90 THR O 1 109 MET H 2.000 . 2.500 2.241 2.106 2.514 0.014 7 0 "[ . 1 . 2 . ]" 2
62 1 90 THR O 1 109 MET N 3.000 2.300 3.500 3.111 2.903 3.293 . 0 0 "[ . 1 . 2 . ]" 2
stop_
save_
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