NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396775 |
1sm7   |
6137 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sm7
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 1263
_Distance_constraint_stats_list.Viol_count 1281
_Distance_constraint_stats_list.Viol_total 2447.487
_Distance_constraint_stats_list.Viol_max 0.792
_Distance_constraint_stats_list.Viol_rms 0.0307
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.1006
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 2 PRO 0.055 0.036 12 0 "[ . 1 . ]"
1 3 GLN 3.018 0.220 15 0 "[ . 1 . ]"
1 4 LYS 2.701 0.220 15 0 "[ . 1 . ]"
1 5 CYS 3.452 0.218 15 0 "[ . 1 . ]"
1 6 GLN 5.256 0.201 2 0 "[ . 1 . ]"
1 7 ARG 0.697 0.146 10 0 "[ . 1 . ]"
1 8 GLU 0.644 0.118 17 0 "[ . 1 . ]"
1 9 PHE 9.417 0.364 15 0 "[ . 1 . ]"
1 10 GLN 6.419 0.464 10 0 "[ . 1 . ]"
1 11 GLN 2.324 0.281 15 0 "[ . 1 . ]"
1 12 GLU 5.731 0.248 18 0 "[ . 1 . ]"
1 13 GLN 4.866 0.185 3 0 "[ . 1 . ]"
1 14 HIS 13.721 0.464 10 0 "[ . 1 . ]"
1 15 LEU 2.956 0.316 6 0 "[ . 1 . ]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 17 ALA 9.446 0.434 10 0 "[ . 1 . ]"
1 18 CYS 7.190 0.434 10 0 "[ . 1 . ]"
1 19 GLN 8.708 0.384 16 0 "[ . 1 . ]"
1 20 GLN 9.920 0.359 6 0 "[ . 1 . ]"
1 21 TRP 3.684 0.328 16 0 "[ . 1 . ]"
1 22 ILE 0.211 0.083 12 0 "[ . 1 . ]"
1 23 ARG 0.115 0.068 14 0 "[ . 1 . ]"
1 24 GLN 2.576 0.182 14 0 "[ . 1 . ]"
1 25 GLN 0.191 0.068 14 0 "[ . 1 . ]"
1 26 LEU 2.666 0.248 13 0 "[ . 1 . ]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 30 PRO 0.814 0.163 15 0 "[ . 1 . ]"
1 31 PHE 0.824 0.163 15 0 "[ . 1 . ]"
1 32 SER 0.010 0.010 3 0 "[ . 1 . ]"
1 34 ASN 0.059 0.059 18 0 "[ . 1 . ]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 36 TRP 0.230 0.067 2 0 "[ . 1 . ]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 38 PRO 2.506 0.792 16 1 "[ . 1 .+ ]"
1 39 GLN 1.296 0.428 16 0 "[ . 1 . ]"
1 41 GLY 3.802 0.792 16 1 "[ . 1 .+ ]"
1 42 PRO 2.037 0.234 6 0 "[ . 1 . ]"
1 43 SER 1.700 0.206 9 0 "[ . 1 . ]"
1 44 LEU 4.910 0.400 10 0 "[ . 1 . ]"
1 45 ARG 4.535 0.534 12 1 "[ . 1 + . ]"
1 46 GLU 2.815 0.491 10 0 "[ . 1 . ]"
1 47 GLN 0.211 0.091 4 0 "[ . 1 . ]"
1 48 CYS 10.800 0.534 12 1 "[ . 1 + . ]"
1 49 CYS 1.454 0.139 1 0 "[ . 1 . ]"
1 50 ASN 0.392 0.091 4 0 "[ . 1 . ]"
1 51 GLU 0.191 0.062 13 0 "[ . 1 . ]"
1 52 LEU 3.116 0.223 1 0 "[ . 1 . ]"
1 53 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 55 GLU 0.898 0.130 7 0 "[ . 1 . ]"
1 56 ASP 4.447 0.197 15 0 "[ . 1 . ]"
1 57 GLN 1.490 0.234 7 0 "[ . 1 . ]"
1 58 VAL 0.108 0.025 1 0 "[ . 1 . ]"
1 59 CYS 3.634 0.197 15 0 "[ . 1 . ]"
1 60 VAL 1.622 0.242 17 0 "[ . 1 . ]"
1 61 CYS 2.243 0.197 13 0 "[ . 1 . ]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 63 THR 6.523 0.556 11 1 "[ . 1+ . ]"
1 64 LEU 4.172 0.225 13 0 "[ . 1 . ]"
1 65 LYS 5.744 0.556 11 1 "[ . 1+ . ]"
1 66 GLN 2.763 0.322 18 0 "[ . 1 . ]"
1 67 ALA 0.918 0.105 13 0 "[ . 1 . ]"
1 68 ALA 1.248 0.164 7 0 "[ . 1 . ]"
1 69 LYS 0.451 0.157 6 0 "[ . 1 . ]"
1 70 SER 0.162 0.073 4 0 "[ . 1 . ]"
1 71 VAL 2.536 0.174 19 0 "[ . 1 . ]"
1 72 ARG 2.534 0.185 18 0 "[ . 1 . ]"
1 73 VAL 0.336 0.071 11 0 "[ . 1 . ]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 76 GLN 0.248 0.101 12 0 "[ . 1 . ]"
1 77 HIS 1.482 0.300 17 0 "[ . 1 . ]"
1 78 GLY 0.922 0.300 17 0 "[ . 1 . ]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 80 PHE 2.791 0.419 14 0 "[ . 1 . ]"
1 81 GLN 0.230 0.068 16 0 "[ . 1 . ]"
1 82 SER 2.979 0.304 3 0 "[ . 1 . ]"
1 83 THR 3.110 0.419 14 0 "[ . 1 . ]"
1 84 ARG 0.976 0.311 14 0 "[ . 1 . ]"
1 85 ILE 2.367 0.253 11 0 "[ . 1 . ]"
1 86 TYR 1.294 0.311 14 0 "[ . 1 . ]"
1 87 GLN 0.896 0.200 17 0 "[ . 1 . ]"
1 88 ILE 0.782 0.096 4 0 "[ . 1 . ]"
1 89 ALA 0.209 0.111 5 0 "[ . 1 . ]"
1 90 LYS 0.135 0.130 13 0 "[ . 1 . ]"
1 91 ASN 2.236 0.171 15 0 "[ . 1 . ]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 93 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 94 ASN 0.266 0.040 15 0 "[ . 1 . ]"
1 95 VAL 0.395 0.074 1 0 "[ . 1 . ]"
1 96 CYS 0.596 0.139 1 0 "[ . 1 . ]"
1 97 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 98 MET 1.970 0.242 17 0 "[ . 1 . ]"
1 99 LYS 1.944 0.286 9 0 "[ . 1 . ]"
1 100 GLN 1.052 0.286 9 0 "[ . 1 . ]"
1 101 ILE 0.904 0.139 9 0 "[ . 1 . ]"
1 102 GLY 1.119 0.139 9 0 "[ . 1 . ]"
1 103 THR 1.734 0.258 4 0 "[ . 1 . ]"
1 104 CYS 1.488 0.197 13 0 "[ . 1 . ]"
1 105 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 106 PHE 0.932 0.259 3 0 "[ . 1 . ]"
1 107 ILE 1.371 0.260 14 0 "[ . 1 . ]"
1 108 ALA 1.149 0.260 14 0 "[ . 1 . ]"
1 109 ILE 1.095 0.159 16 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLN HA 1 2 PRO QD . . 3.680 2.793 1.898 3.587 . 0 0 "[ . 1 . ]" 1
2 1 1 GLN QG 1 2 PRO QD . . 6.030 3.587 1.953 4.187 . 0 0 "[ . 1 . ]" 1
3 1 2 PRO HA 1 3 GLN H . . 2.960 2.626 2.163 2.939 . 0 0 "[ . 1 . ]" 1
4 1 2 PRO QB 1 4 LYS QB . . 5.040 3.649 2.923 4.145 . 0 0 "[ . 1 . ]" 1
5 1 2 PRO HB2 1 3 GLN H . . 4.000 2.544 1.856 4.036 0.036 12 0 "[ . 1 . ]" 1
6 1 2 PRO HB3 1 3 GLN H . . 4.750 3.407 3.003 4.312 . 0 0 "[ . 1 . ]" 1
7 1 2 PRO QD 1 3 GLN H . . 5.350 4.674 4.514 4.790 . 0 0 "[ . 1 . ]" 1
8 1 3 GLN H 1 3 GLN HB2 . . 3.000 2.301 2.034 2.836 . 0 0 "[ . 1 . ]" 1
9 1 3 GLN H 1 3 GLN QB . . 3.240 2.221 2.008 2.613 . 0 0 "[ . 1 . ]" 1
10 1 3 GLN H 1 3 GLN HB3 . . 3.000 3.045 2.940 3.121 0.121 2 0 "[ . 1 . ]" 1
11 1 3 GLN H 1 3 GLN QG . . 4.380 3.973 3.812 4.119 . 0 0 "[ . 1 . ]" 1
12 1 3 GLN H 1 4 LYS H . . 3.000 2.494 1.813 3.031 0.031 5 0 "[ . 1 . ]" 1
13 1 3 GLN HA 1 6 GLN H . . 3.720 3.194 2.753 3.818 0.098 10 0 "[ . 1 . ]" 1
14 1 3 GLN HA 1 6 GLN QB . . 4.010 2.617 1.955 3.159 . 0 0 "[ . 1 . ]" 1
15 1 3 GLN QB 1 4 LYS H . . 3.140 2.787 2.621 2.919 . 0 0 "[ . 1 . ]" 1
16 1 3 GLN HB2 1 4 LYS H . . 3.500 3.593 3.498 3.720 0.220 15 0 "[ . 1 . ]" 1
17 1 3 GLN HB3 1 4 LYS H . . 3.500 2.905 2.706 3.058 . 0 0 "[ . 1 . ]" 1
18 1 3 GLN QG 1 4 LYS HA . . 5.300 4.828 4.564 4.918 . 0 0 "[ . 1 . ]" 1
19 1 3 GLN QG 1 4 LYS QB . . 7.520 5.574 5.277 5.871 . 0 0 "[ . 1 . ]" 1
20 1 4 LYS H 1 4 LYS HB2 . . 3.460 2.283 2.038 3.510 0.050 1 0 "[ . 1 . ]" 1
21 1 4 LYS H 1 4 LYS QB . . 3.140 2.133 2.020 2.687 . 0 0 "[ . 1 . ]" 1
22 1 4 LYS H 1 4 LYS HB3 . . 3.460 3.096 2.148 3.598 0.138 17 0 "[ . 1 . ]" 1
23 1 4 LYS H 1 4 LYS QD . . 5.880 4.264 2.048 4.829 . 0 0 "[ . 1 . ]" 1
24 1 4 LYS H 1 4 LYS QG . . 3.880 3.388 2.073 3.718 . 0 0 "[ . 1 . ]" 1
25 1 4 LYS H 1 5 CYS H . . 3.000 2.931 2.683 3.218 0.218 15 0 "[ . 1 . ]" 1
26 1 4 LYS H 1 58 VAL MG1 . . 6.070 5.045 4.815 5.330 . 0 0 "[ . 1 . ]" 1
27 1 4 LYS HA 1 7 ARG H . . 4.320 3.645 3.143 4.437 0.117 1 0 "[ . 1 . ]" 1
28 1 4 LYS QB 1 5 CYS H . . 4.410 2.703 2.120 3.539 . 0 0 "[ . 1 . ]" 1
29 1 4 LYS QD 1 5 CYS QB . . 6.630 5.012 3.764 5.414 . 0 0 "[ . 1 . ]" 1
30 1 4 LYS QG 1 5 CYS H . . 5.790 4.188 1.958 4.721 . 0 0 "[ . 1 . ]" 1
31 1 5 CYS CB 1 59 CYS SG . . 3.100 3.059 2.913 3.133 0.033 6 0 "[ . 1 . ]" 1
32 1 5 CYS H 1 5 CYS HB2 . . 3.590 2.611 2.009 3.520 . 0 0 "[ . 1 . ]" 1
33 1 5 CYS H 1 5 CYS QB . . 3.290 2.145 1.982 2.306 . 0 0 "[ . 1 . ]" 1
34 1 5 CYS H 1 5 CYS HB3 . . 3.590 2.692 2.104 3.441 . 0 0 "[ . 1 . ]" 1
35 1 5 CYS H 1 6 GLN H . . 3.000 2.748 1.967 3.201 0.201 2 0 "[ . 1 . ]" 1
36 1 5 CYS H 1 7 ARG H . . 4.980 4.154 3.350 4.688 . 0 0 "[ . 1 . ]" 1
37 1 5 CYS HA 1 6 GLN H . . 3.500 3.593 3.474 3.646 0.146 2 0 "[ . 1 . ]" 1
38 1 5 CYS HA 1 8 GLU H . . 4.350 3.172 2.692 3.705 . 0 0 "[ . 1 . ]" 1
39 1 5 CYS HA 1 8 GLU HB2 . . 3.460 2.196 1.915 2.753 . 0 0 "[ . 1 . ]" 1
40 1 5 CYS HA 1 8 GLU QG . . 6.720 3.896 3.362 4.365 . 0 0 "[ . 1 . ]" 1
41 1 5 CYS HA 1 63 THR MG . . 6.000 4.723 4.142 4.967 . 0 0 "[ . 1 . ]" 1
42 1 5 CYS QB 1 6 GLN H . . 4.190 2.705 2.207 3.548 . 0 0 "[ . 1 . ]" 1
43 1 5 CYS QB 1 63 THR MG . . 5.700 3.611 2.559 4.179 . 0 0 "[ . 1 . ]" 1
44 1 5 CYS HB2 1 6 GLN H . . 4.780 3.694 2.971 4.363 . 0 0 "[ . 1 . ]" 1
45 1 5 CYS HB2 1 59 CYS HA . . 6.000 4.686 3.825 5.425 . 0 0 "[ . 1 . ]" 1
46 1 5 CYS HB3 1 6 GLN H . . 4.780 2.807 2.240 3.775 . 0 0 "[ . 1 . ]" 1
47 1 5 CYS HB3 1 59 CYS HA . . 6.000 3.847 2.367 5.283 . 0 0 "[ . 1 . ]" 1
48 1 5 CYS SG 1 59 CYS CB . . 3.100 3.120 3.013 3.219 0.119 11 0 "[ . 1 . ]" 1
49 1 5 CYS SG 1 59 CYS SG . . 2.100 2.012 1.969 2.060 . 0 0 "[ . 1 . ]" 1
50 1 6 GLN H 1 6 GLN HB2 . . 3.000 2.247 2.052 2.721 . 0 0 "[ . 1 . ]" 1
51 1 6 GLN H 1 6 GLN QB . . 3.490 2.219 2.035 2.643 . 0 0 "[ . 1 . ]" 1
52 1 6 GLN H 1 6 GLN HG2 . . 3.500 3.384 2.748 3.641 0.141 8 0 "[ . 1 . ]" 1
53 1 6 GLN H 1 6 GLN QG . . 4.800 2.797 1.970 3.235 . 0 0 "[ . 1 . ]" 1
54 1 6 GLN H 1 6 GLN HG3 . . 3.500 3.063 2.019 3.622 0.122 8 0 "[ . 1 . ]" 1
55 1 6 GLN H 1 7 ARG H . . 3.000 2.893 2.670 3.133 0.133 17 0 "[ . 1 . ]" 1
56 1 6 GLN HA 1 6 GLN QG . . 3.980 2.078 1.923 2.484 . 0 0 "[ . 1 . ]" 1
57 1 6 GLN HA 1 9 PHE H . . 3.790 3.675 3.355 3.967 0.177 8 0 "[ . 1 . ]" 1
58 1 6 GLN HA 1 9 PHE HB2 . . 4.320 4.211 3.548 4.501 0.181 11 0 "[ . 1 . ]" 1
59 1 6 GLN HA 1 9 PHE QB . . 4.000 2.877 2.175 3.346 . 0 0 "[ . 1 . ]" 1
60 1 6 GLN HA 1 9 PHE HB3 . . 4.320 2.937 2.192 3.460 . 0 0 "[ . 1 . ]" 1
61 1 6 GLN QB 1 7 ARG H . . 4.170 2.758 2.211 3.255 . 0 0 "[ . 1 . ]" 1
62 1 6 GLN QG 1 9 PHE QE . . 9.000 6.169 4.851 7.087 . 0 0 "[ . 1 . ]" 1
63 1 6 GLN QG 1 59 CYS HA . . 5.560 4.586 3.892 5.180 . 0 0 "[ . 1 . ]" 1
64 1 7 ARG H 1 7 ARG QB . . 3.530 2.198 2.035 2.389 . 0 0 "[ . 1 . ]" 1
65 1 7 ARG H 1 8 GLU H . . 3.000 2.601 2.032 2.920 . 0 0 "[ . 1 . ]" 1
66 1 7 ARG HA 1 10 GLN H . . 3.950 3.740 3.328 4.096 0.146 10 0 "[ . 1 . ]" 1
67 1 7 ARG QB 1 8 GLU H . . 4.170 3.177 2.368 3.688 . 0 0 "[ . 1 . ]" 1
68 1 7 ARG QD 1 8 GLU H . . 6.880 5.111 3.968 5.803 . 0 0 "[ . 1 . ]" 1
69 1 8 GLU H 1 8 GLU HB2 . . 3.560 2.302 2.017 2.523 . 0 0 "[ . 1 . ]" 1
70 1 8 GLU H 1 8 GLU HB3 . . 4.150 3.344 3.249 3.532 . 0 0 "[ . 1 . ]" 1
71 1 8 GLU H 1 8 GLU HG2 . . 4.650 4.052 3.501 4.365 . 0 0 "[ . 1 . ]" 1
72 1 8 GLU H 1 8 GLU QG . . 4.070 3.588 3.269 3.795 . 0 0 "[ . 1 . ]" 1
73 1 8 GLU H 1 8 GLU HG3 . . 4.650 4.034 3.540 4.381 . 0 0 "[ . 1 . ]" 1
74 1 8 GLU H 1 9 PHE H . . 3.000 2.164 1.764 2.764 . 0 0 "[ . 1 . ]" 1
75 1 8 GLU HA 1 11 GLN H . . 4.000 3.314 3.143 3.497 . 0 0 "[ . 1 . ]" 1
76 1 8 GLU HA 1 11 GLN HB2 . . 3.790 2.031 1.925 2.604 . 0 0 "[ . 1 . ]" 1
77 1 8 GLU HA 1 11 GLN HB3 . . 3.790 3.123 2.285 3.513 . 0 0 "[ . 1 . ]" 1
78 1 8 GLU HB2 1 9 PHE H . . 3.460 3.370 2.929 3.578 0.118 17 0 "[ . 1 . ]" 1
79 1 8 GLU HB3 1 9 PHE H . . 3.390 3.352 3.149 3.488 0.098 18 0 "[ . 1 . ]" 1
80 1 8 GLU QG 1 9 PHE H . . 5.690 4.545 4.362 4.626 . 0 0 "[ . 1 . ]" 1
81 1 9 PHE CG 1 14 HIS H . . 7.200 6.163 5.980 6.361 . 0 0 "[ . 1 . ]" 1
82 1 9 PHE CG 1 14 HIS HB2 . . 6.700 6.191 5.860 6.448 . 0 0 "[ . 1 . ]" 1
83 1 9 PHE CG 1 14 HIS HB3 . . 6.700 4.739 4.406 5.081 . 0 0 "[ . 1 . ]" 1
84 1 9 PHE CG 1 14 HIS HD2 . . 6.200 5.120 4.884 5.269 . 0 0 "[ . 1 . ]" 1
85 1 9 PHE CG 1 15 LEU MD1 . . 6.700 5.165 4.760 5.741 . 0 0 "[ . 1 . ]" 1
86 1 9 PHE CG 1 15 LEU QD . . 6.260 3.752 3.242 4.244 . 0 0 "[ . 1 . ]" 1
87 1 9 PHE CG 1 15 LEU MD2 . . 6.700 3.893 3.261 4.473 . 0 0 "[ . 1 . ]" 1
88 1 9 PHE CG 1 63 THR HA . . 5.200 4.594 3.773 5.271 0.071 10 0 "[ . 1 . ]" 1
89 1 9 PHE CG 1 63 THR MG . . 6.700 2.598 2.017 3.499 . 0 0 "[ . 1 . ]" 1
90 1 9 PHE CG 1 67 ALA MB . . 6.200 5.024 4.955 5.122 . 0 0 "[ . 1 . ]" 1
91 1 9 PHE CZ 1 9 PHE H . . 7.200 6.569 6.423 6.676 . 0 0 "[ . 1 . ]" 1
92 1 9 PHE CZ 1 9 PHE HA . . 5.700 5.447 5.308 5.566 . 0 0 "[ . 1 . ]" 1
93 1 9 PHE CZ 1 14 HIS H . . 6.200 6.222 5.603 6.504 0.304 10 0 "[ . 1 . ]" 1
94 1 9 PHE CZ 1 14 HIS HA . . 6.200 3.534 2.856 3.983 . 0 0 "[ . 1 . ]" 1
95 1 9 PHE CZ 1 14 HIS HD2 . . 6.200 5.645 5.109 5.920 . 0 0 "[ . 1 . ]" 1
96 1 9 PHE CZ 1 15 LEU MD1 . . 6.700 4.186 3.380 5.542 . 0 0 "[ . 1 . ]" 1
97 1 9 PHE CZ 1 15 LEU QD . . 6.260 3.274 2.946 3.997 . 0 0 "[ . 1 . ]" 1
98 1 9 PHE CZ 1 15 LEU MD2 . . 6.700 3.571 2.962 4.567 . 0 0 "[ . 1 . ]" 1
99 1 9 PHE CZ 1 63 THR HA . . 5.700 4.868 4.158 5.690 . 0 0 "[ . 1 . ]" 1
100 1 9 PHE CZ 1 63 THR MG . . 6.700 3.917 3.215 5.225 . 0 0 "[ . 1 . ]" 1
101 1 9 PHE CZ 1 67 ALA HA . . 5.200 4.443 4.038 4.609 . 0 0 "[ . 1 . ]" 1
102 1 9 PHE CZ 1 67 ALA MB . . 5.700 2.634 2.481 2.938 . 0 0 "[ . 1 . ]" 1
103 1 9 PHE H 1 9 PHE HB2 . . 3.690 2.904 2.759 3.056 . 0 0 "[ . 1 . ]" 1
104 1 9 PHE H 1 9 PHE QB . . 3.190 2.036 1.976 2.087 . 0 0 "[ . 1 . ]" 1
105 1 9 PHE H 1 9 PHE HB3 . . 3.690 2.081 2.003 2.156 . 0 0 "[ . 1 . ]" 1
106 1 9 PHE H 1 10 GLN H . . 3.000 2.446 2.262 2.616 . 0 0 "[ . 1 . ]" 1
107 1 9 PHE H 1 10 GLN QB . . 4.900 4.346 4.160 4.548 . 0 0 "[ . 1 . ]" 1
108 1 9 PHE H 1 11 GLN H . . 4.810 3.478 3.306 3.794 . 0 0 "[ . 1 . ]" 1
109 1 9 PHE H 1 11 GLN QB . . 4.870 4.101 3.856 4.347 . 0 0 "[ . 1 . ]" 1
110 1 9 PHE H 1 63 THR MG . . 5.000 3.674 3.184 4.046 . 0 0 "[ . 1 . ]" 1
111 1 9 PHE HA 1 11 GLN H . . 4.450 4.156 3.904 4.318 . 0 0 "[ . 1 . ]" 1
112 1 9 PHE HA 1 11 GLN QB . . 5.260 4.806 4.536 4.915 . 0 0 "[ . 1 . ]" 1
113 1 9 PHE HA 1 12 GLU H . . 4.710 4.783 4.627 4.923 0.213 17 0 "[ . 1 . ]" 1
114 1 9 PHE HA 1 14 HIS HD2 . . 5.000 4.614 4.471 4.744 . 0 0 "[ . 1 . ]" 1
115 1 9 PHE HA 1 63 THR MG . . 6.000 4.307 3.917 4.770 . 0 0 "[ . 1 . ]" 1
116 1 9 PHE QB 1 10 GLN H . . 3.880 2.637 2.229 2.856 . 0 0 "[ . 1 . ]" 1
117 1 9 PHE QB 1 63 THR MG . . 4.880 2.070 1.762 2.422 . 0 0 "[ . 1 . ]" 1
118 1 9 PHE HB2 1 10 GLN H . . 4.650 4.001 3.718 4.146 . 0 0 "[ . 1 . ]" 1
119 1 9 PHE HB3 1 10 GLN H . . 4.650 2.675 2.246 2.911 . 0 0 "[ . 1 . ]" 1
120 1 9 PHE QD 1 10 GLN HA . . 8.120 3.025 2.785 3.243 . 0 0 "[ . 1 . ]" 1
121 1 9 PHE QD 1 14 HIS HA . . 7.990 3.689 3.303 3.858 . 0 0 "[ . 1 . ]" 1
122 1 9 PHE QD 1 14 HIS HD2 . . 7.400 4.613 4.341 4.871 . 0 0 "[ . 1 . ]" 1
123 1 9 PHE QD 1 15 LEU MD1 . . 8.920 3.750 3.350 4.260 . 0 0 "[ . 1 . ]" 1
124 1 9 PHE QD 1 15 LEU QD . . 7.980 2.533 1.786 3.101 . 0 0 "[ . 1 . ]" 1
125 1 9 PHE QD 1 15 LEU MD2 . . 8.920 2.600 1.789 3.185 . 0 0 "[ . 1 . ]" 1
126 1 9 PHE QD 1 54 GLN QG . . 9.000 6.030 4.589 6.457 . 0 0 "[ . 1 . ]" 1
127 1 9 PHE QD 1 63 THR HA . . 5.780 4.300 3.603 4.950 . 0 0 "[ . 1 . ]" 1
128 1 9 PHE QD 1 63 THR HB . . 7.400 3.388 2.596 4.119 . 0 0 "[ . 1 . ]" 1
129 1 9 PHE QD 1 63 THR MG . . 7.270 2.731 2.202 3.506 . 0 0 "[ . 1 . ]" 1
130 1 9 PHE HD1 1 14 HIS HD2 . . 4.710 4.749 4.405 5.074 0.364 15 0 "[ . 1 . ]" 1
131 1 9 PHE HD2 1 15 LEU MD1 . . 6.040 3.773 3.360 4.311 . 0 0 "[ . 1 . ]" 1
132 1 9 PHE HD2 1 15 LEU QD . . 5.190 2.540 1.787 3.118 . 0 0 "[ . 1 . ]" 1
133 1 9 PHE HD2 1 15 LEU MD2 . . 6.040 2.606 1.790 3.200 . 0 0 "[ . 1 . ]" 1
134 1 9 PHE QE 1 10 GLN QB . . 9.000 3.244 2.353 3.873 . 0 0 "[ . 1 . ]" 1
135 1 9 PHE QE 1 10 GLN QG . . 9.000 2.911 1.956 4.728 . 0 0 "[ . 1 . ]" 1
136 1 9 PHE QE 1 14 HIS HA . . 7.590 3.618 3.160 3.922 . 0 0 "[ . 1 . ]" 1
137 1 9 PHE QE 1 14 HIS HB2 . . 8.120 4.700 4.233 5.237 . 0 0 "[ . 1 . ]" 1
138 1 9 PHE QE 1 14 HIS QB . . 7.600 3.155 2.635 3.710 . 0 0 "[ . 1 . ]" 1
139 1 9 PHE QE 1 14 HIS HB3 . . 8.120 3.208 2.661 3.795 . 0 0 "[ . 1 . ]" 1
140 1 9 PHE QE 1 15 LEU HB2 . . 8.120 3.795 2.473 4.319 . 0 0 "[ . 1 . ]" 1
141 1 9 PHE QE 1 15 LEU QB . . 7.780 3.584 2.448 4.007 . 0 0 "[ . 1 . ]" 1
142 1 9 PHE QE 1 15 LEU HB3 . . 8.120 4.534 3.878 4.931 . 0 0 "[ . 1 . ]" 1
143 1 9 PHE QE 1 15 LEU MD1 . . 9.150 2.539 1.783 3.780 . 0 0 "[ . 1 . ]" 1
144 1 9 PHE QE 1 15 LEU QD . . 8.230 1.983 1.703 2.528 . 0 0 "[ . 1 . ]" 1
145 1 9 PHE QE 1 15 LEU MD2 . . 9.150 2.324 1.930 3.252 . 0 0 "[ . 1 . ]" 1
146 1 9 PHE QE 1 15 LEU HG . . 5.880 2.104 1.978 2.228 . 0 0 "[ . 1 . ]" 1
147 1 9 PHE QE 1 64 LEU QB . . 8.510 4.837 4.211 5.629 . 0 0 "[ . 1 . ]" 1
148 1 9 PHE HE1 1 14 HIS HA . . 4.680 4.110 3.664 4.794 0.114 10 0 "[ . 1 . ]" 1
149 1 9 PHE HE2 1 15 LEU MD1 . . 7.030 2.544 1.783 3.792 . 0 0 "[ . 1 . ]" 1
150 1 9 PHE HE2 1 15 LEU QD . . 5.900 1.985 1.704 2.532 . 0 0 "[ . 1 . ]" 1
151 1 9 PHE HE2 1 15 LEU MD2 . . 7.030 2.328 1.931 3.265 . 0 0 "[ . 1 . ]" 1
152 1 9 PHE HE2 1 15 LEU HG . . 3.060 2.107 1.978 2.234 . 0 0 "[ . 1 . ]" 1
153 1 9 PHE HZ 1 14 HIS HA . . 6.000 4.027 3.188 4.525 . 0 0 "[ . 1 . ]" 1
154 1 9 PHE HZ 1 14 HIS HB2 . . 6.000 4.797 4.050 5.258 . 0 0 "[ . 1 . ]" 1
155 1 9 PHE HZ 1 14 HIS QB . . 5.220 3.326 2.778 3.699 . 0 0 "[ . 1 . ]" 1
156 1 9 PHE HZ 1 14 HIS HB3 . . 6.000 3.395 2.812 3.780 . 0 0 "[ . 1 . ]" 1
157 1 9 PHE HZ 1 15 LEU HG . . 4.910 3.069 2.126 4.499 . 0 0 "[ . 1 . ]" 1
158 1 9 PHE HZ 1 63 THR HB . . 6.000 5.196 3.983 6.118 0.118 15 0 "[ . 1 . ]" 1
159 1 9 PHE HZ 1 66 GLN HB2 . . 4.500 4.172 2.791 4.791 0.291 5 0 "[ . 1 . ]" 1
160 1 9 PHE HZ 1 66 GLN QB . . 4.170 3.032 2.052 3.556 . 0 0 "[ . 1 . ]" 1
161 1 9 PHE HZ 1 66 GLN HB3 . . 4.500 3.295 2.084 4.558 0.058 19 0 "[ . 1 . ]" 1
162 1 9 PHE HZ 1 67 ALA H . . 4.500 2.371 1.896 3.080 . 0 0 "[ . 1 . ]" 1
163 1 9 PHE HZ 1 67 ALA HA . . 3.500 3.462 2.958 3.578 0.078 8 0 "[ . 1 . ]" 1
164 1 9 PHE HZ 1 67 ALA MB . . 4.500 1.723 1.464 2.357 . 0 0 "[ . 1 . ]" 1
165 1 10 GLN H 1 10 GLN HB2 . . 3.260 2.540 2.288 3.105 . 0 0 "[ . 1 . ]" 1
166 1 10 GLN H 1 10 GLN QB . . 3.040 2.273 2.229 2.331 . 0 0 "[ . 1 . ]" 1
167 1 10 GLN H 1 10 GLN HB3 . . 3.260 2.880 2.311 3.168 . 0 0 "[ . 1 . ]" 1
168 1 10 GLN H 1 10 GLN HG2 . . 4.500 4.292 4.115 4.458 . 0 0 "[ . 1 . ]" 1
169 1 10 GLN H 1 10 GLN QG . . 4.170 3.839 3.802 3.874 . 0 0 "[ . 1 . ]" 1
170 1 10 GLN H 1 10 GLN HG3 . . 4.500 4.345 4.138 4.542 0.042 1 0 "[ . 1 . ]" 1
171 1 10 GLN H 1 11 GLN H . . 3.000 2.249 2.088 2.455 . 0 0 "[ . 1 . ]" 1
172 1 10 GLN HA 1 13 GLN H . . 5.000 3.739 3.581 3.926 . 0 0 "[ . 1 . ]" 1
173 1 10 GLN HA 1 14 HIS H . . 3.950 4.240 4.158 4.414 0.464 10 0 "[ . 1 . ]" 1
174 1 10 GLN HA 1 14 HIS HD2 . . 3.000 2.166 2.076 2.251 . 0 0 "[ . 1 . ]" 1
175 1 10 GLN QB 1 14 HIS HD2 . . 4.710 4.291 4.123 4.414 . 0 0 "[ . 1 . ]" 1
176 1 10 GLN HB2 1 14 HIS HD2 . . 5.000 4.774 4.423 5.004 0.004 10 0 "[ . 1 . ]" 1
177 1 10 GLN HB3 1 14 HIS HD2 . . 5.000 4.890 4.730 5.079 0.079 16 0 "[ . 1 . ]" 1
178 1 10 GLN HG2 1 14 HIS HD2 . . 5.000 3.966 3.406 5.067 0.067 16 0 "[ . 1 . ]" 1
179 1 10 GLN HG3 1 14 HIS HD2 . . 5.000 4.675 4.056 5.019 0.019 15 0 "[ . 1 . ]" 1
180 1 11 GLN H 1 11 GLN HB2 . . 3.390 2.133 2.045 2.907 . 0 0 "[ . 1 . ]" 1
181 1 11 GLN H 1 11 GLN QB . . 3.130 2.058 2.013 2.078 . 0 0 "[ . 1 . ]" 1
182 1 11 GLN H 1 11 GLN HB3 . . 3.390 3.032 2.119 3.366 . 0 0 "[ . 1 . ]" 1
183 1 11 GLN H 1 11 GLN HG2 . . 4.000 4.021 3.456 4.103 0.103 14 0 "[ . 1 . ]" 1
184 1 11 GLN H 1 11 GLN QG . . 4.500 3.595 3.200 3.699 . 0 0 "[ . 1 . ]" 1
185 1 11 GLN H 1 11 GLN HG3 . . 4.000 4.055 3.776 4.281 0.281 15 0 "[ . 1 . ]" 1
186 1 11 GLN H 1 12 GLU H . . 3.000 2.878 2.606 3.007 0.007 18 0 "[ . 1 . ]" 1
187 1 11 GLN H 1 14 HIS HD2 . . 5.000 4.045 3.656 4.382 . 0 0 "[ . 1 . ]" 1
188 1 11 GLN HA 1 12 GLU QG . . 5.990 3.801 3.664 4.527 . 0 0 "[ . 1 . ]" 1
189 1 11 GLN QB 1 12 GLU H . . 3.650 2.380 2.117 2.542 . 0 0 "[ . 1 . ]" 1
190 1 11 GLN HB2 1 12 GLU H . . 3.860 3.293 2.635 3.918 0.058 15 0 "[ . 1 . ]" 1
191 1 11 GLN HB3 1 12 GLU H . . 3.860 2.447 2.153 2.611 . 0 0 "[ . 1 . ]" 1
192 1 12 GLU H 1 12 GLU HB2 . . 3.820 3.886 2.995 4.068 0.248 18 0 "[ . 1 . ]" 1
193 1 12 GLU H 1 12 GLU QB . . 3.590 3.422 2.910 3.527 . 0 0 "[ . 1 . ]" 1
194 1 12 GLU H 1 12 GLU HB3 . . 3.820 3.852 3.573 3.971 0.151 11 0 "[ . 1 . ]" 1
195 1 12 GLU H 1 12 GLU HG2 . . 4.000 3.597 3.021 4.127 0.127 17 0 "[ . 1 . ]" 1
196 1 12 GLU H 1 12 GLU QG . . 3.650 2.774 2.563 3.430 . 0 0 "[ . 1 . ]" 1
197 1 12 GLU H 1 12 GLU HG3 . . 4.000 2.908 2.615 3.666 . 0 0 "[ . 1 . ]" 1
198 1 12 GLU H 1 13 GLN H . . 3.000 1.875 1.788 2.121 . 0 0 "[ . 1 . ]" 1
199 1 12 GLU HA 1 13 GLN H . . 3.500 2.879 2.702 2.967 . 0 0 "[ . 1 . ]" 1
200 1 12 GLU HA 1 13 GLN QG . . 6.390 5.168 4.244 5.623 . 0 0 "[ . 1 . ]" 1
201 1 12 GLU QB 1 13 GLN HA . . 5.430 4.601 4.509 4.777 . 0 0 "[ . 1 . ]" 1
202 1 12 GLU QG 1 13 GLN H . . 6.090 3.942 3.613 4.498 . 0 0 "[ . 1 . ]" 1
203 1 13 GLN H 1 13 GLN HA . . 2.830 2.888 2.793 2.910 0.080 2 0 "[ . 1 . ]" 1
204 1 13 GLN H 1 13 GLN QG . . 4.670 3.959 2.792 4.231 . 0 0 "[ . 1 . ]" 1
205 1 13 GLN H 1 14 HIS H . . 2.500 2.619 2.545 2.685 0.185 3 0 "[ . 1 . ]" 1
206 1 13 GLN H 1 14 HIS HA . . 4.090 4.003 3.893 4.082 . 0 0 "[ . 1 . ]" 1
207 1 13 GLN H 1 14 HIS HD2 . . 3.500 2.009 1.936 2.154 . 0 0 "[ . 1 . ]" 1
208 1 13 GLN HA 1 13 GLN QG . . 3.620 2.178 2.021 3.308 . 0 0 "[ . 1 . ]" 1
209 1 13 GLN HA 1 14 HIS HD2 . . 4.000 4.077 4.027 4.144 0.144 15 0 "[ . 1 . ]" 1
210 1 14 HIS H 1 14 HIS HD2 . . 3.000 2.226 2.122 2.295 . 0 0 "[ . 1 . ]" 1
211 1 14 HIS HA 1 14 HIS HD2 . . 3.000 2.955 2.806 3.115 0.115 8 0 "[ . 1 . ]" 1
212 1 14 HIS HA 1 15 LEU H . . 3.000 2.904 2.784 3.037 0.037 18 0 "[ . 1 . ]" 1
213 1 14 HIS HA 1 15 LEU QD . . 6.420 2.789 2.578 2.975 . 0 0 "[ . 1 . ]" 1
214 1 14 HIS QB 1 15 LEU QB . . 6.530 4.050 3.706 4.219 . 0 0 "[ . 1 . ]" 1
215 1 14 HIS QB 1 15 LEU QD . . 5.710 3.565 3.323 3.686 . 0 0 "[ . 1 . ]" 1
216 1 14 HIS HB2 1 14 HIS HD2 . . 4.000 3.814 3.764 3.876 . 0 0 "[ . 1 . ]" 1
217 1 14 HIS HB2 1 15 LEU MD1 . . 7.250 5.879 5.668 6.089 . 0 0 "[ . 1 . ]" 1
218 1 14 HIS HB2 1 15 LEU MD2 . . 7.250 4.221 4.052 4.370 . 0 0 "[ . 1 . ]" 1
219 1 14 HIS HB3 1 14 HIS HD2 . . 4.000 3.474 3.317 3.568 . 0 0 "[ . 1 . ]" 1
220 1 14 HIS HB3 1 15 LEU MD1 . . 7.250 5.525 5.281 5.970 . 0 0 "[ . 1 . ]" 1
221 1 14 HIS HB3 1 15 LEU MD2 . . 7.250 4.010 3.567 4.283 . 0 0 "[ . 1 . ]" 1
222 1 14 HIS HD2 1 15 LEU H . . 6.000 5.162 5.099 5.240 . 0 0 "[ . 1 . ]" 1
223 1 14 HIS HD2 1 15 LEU QD . . 7.570 5.178 4.972 5.317 . 0 0 "[ . 1 . ]" 1
224 1 15 LEU H 1 15 LEU HA . . 2.930 2.959 2.945 2.971 0.041 15 0 "[ . 1 . ]" 1
225 1 15 LEU H 1 15 LEU HG . . 4.000 3.001 2.502 4.068 0.068 13 0 "[ . 1 . ]" 1
226 1 15 LEU H 1 67 ALA MB . . 5.610 2.890 2.273 3.673 . 0 0 "[ . 1 . ]" 1
227 1 15 LEU HA 1 16 ARG H . . 3.000 2.419 2.308 2.476 . 0 0 "[ . 1 . ]" 1
228 1 15 LEU HA 1 18 CYS H . . 5.000 4.897 4.605 5.316 0.316 6 0 "[ . 1 . ]" 1
229 1 15 LEU QB 1 16 ARG H . . 4.380 2.355 2.274 2.449 . 0 0 "[ . 1 . ]" 1
230 1 15 LEU QB 1 16 ARG QD . . 7.520 5.468 3.619 6.051 . 0 0 "[ . 1 . ]" 1
231 1 15 LEU QB 1 16 ARG QG . . 5.720 4.410 3.967 4.629 . 0 0 "[ . 1 . ]" 1
232 1 15 LEU QB 1 18 CYS H . . 5.460 3.339 2.863 4.002 . 0 0 "[ . 1 . ]" 1
233 1 15 LEU QB 1 18 CYS QB . . 6.360 2.378 1.872 2.796 . 0 0 "[ . 1 . ]" 1
234 1 15 LEU QB 1 19 GLN QE . . 7.640 4.949 4.680 5.708 . 0 0 "[ . 1 . ]" 1
235 1 15 LEU QB 1 67 ALA MB . . 5.330 2.268 1.788 3.150 . 0 0 "[ . 1 . ]" 1
236 1 15 LEU HB2 1 16 ARG HG2 . . 7.120 5.676 5.145 6.675 . 0 0 "[ . 1 . ]" 1
237 1 15 LEU HB2 1 16 ARG HG3 . . 7.120 6.174 5.150 6.872 . 0 0 "[ . 1 . ]" 1
238 1 15 LEU HB3 1 16 ARG HG2 . . 7.120 5.475 4.246 6.687 . 0 0 "[ . 1 . ]" 1
239 1 15 LEU HB3 1 16 ARG HG3 . . 7.120 5.800 5.032 6.681 . 0 0 "[ . 1 . ]" 1
240 1 15 LEU QD 1 16 ARG H . . 5.540 3.484 2.946 3.744 . 0 0 "[ . 1 . ]" 1
241 1 15 LEU QD 1 17 ALA MB . . 9.530 4.933 4.250 5.372 . 0 0 "[ . 1 . ]" 1
242 1 15 LEU QD 1 18 CYS H . . 8.600 4.084 3.346 4.639 . 0 0 "[ . 1 . ]" 1
243 1 15 LEU QD 1 18 CYS HA . . 7.870 4.859 4.462 5.251 . 0 0 "[ . 1 . ]" 1
244 1 15 LEU QD 1 19 GLN QG . . 8.390 3.834 2.340 4.531 . 0 0 "[ . 1 . ]" 1
245 1 15 LEU QD 1 48 CYS HA . . 6.680 4.461 3.908 4.811 . 0 0 "[ . 1 . ]" 1
246 1 15 LEU QD 1 51 GLU QG . . 5.250 2.307 1.693 2.605 . 0 0 "[ . 1 . ]" 1
247 1 15 LEU QD 1 52 LEU HG . . 6.780 4.131 3.723 4.471 . 0 0 "[ . 1 . ]" 1
248 1 15 LEU QD 1 55 GLU QB . . 6.900 3.630 3.067 4.267 . 0 0 "[ . 1 . ]" 1
249 1 15 LEU QD 1 63 THR HA . . 8.600 5.855 5.371 6.226 . 0 0 "[ . 1 . ]" 1
250 1 15 LEU QD 1 64 LEU QB . . 8.550 4.097 3.607 4.939 . 0 0 "[ . 1 . ]" 1
251 1 15 LEU QD 1 64 LEU QD . . 8.890 2.650 2.205 3.398 . 0 0 "[ . 1 . ]" 1
252 1 15 LEU QD 1 64 LEU HG . . 4.870 2.504 1.967 3.664 . 0 0 "[ . 1 . ]" 1
253 1 15 LEU QD 1 92 LEU QD . . 11.200 4.625 4.193 5.060 . 0 0 "[ . 1 . ]" 1
254 1 15 LEU MD1 1 16 ARG H . . 6.000 3.985 3.027 4.402 . 0 0 "[ . 1 . ]" 1
255 1 15 LEU MD1 1 51 GLU HG2 . . 7.140 3.310 2.674 3.842 . 0 0 "[ . 1 . ]" 1
256 1 15 LEU MD1 1 51 GLU HG3 . . 7.140 3.023 1.712 3.775 . 0 0 "[ . 1 . ]" 1
257 1 15 LEU MD1 1 64 LEU HG . . 5.480 2.554 1.970 3.882 . 0 0 "[ . 1 . ]" 1
258 1 15 LEU MD2 1 16 ARG H . . 6.000 3.992 3.807 4.189 . 0 0 "[ . 1 . ]" 1
259 1 15 LEU MD2 1 51 GLU HG2 . . 7.140 4.066 3.429 5.151 . 0 0 "[ . 1 . ]" 1
260 1 15 LEU MD2 1 51 GLU HG3 . . 7.140 2.965 2.430 4.020 . 0 0 "[ . 1 . ]" 1
261 1 15 LEU MD2 1 64 LEU HG . . 5.480 4.499 4.336 4.571 . 0 0 "[ . 1 . ]" 1
262 1 15 LEU HG 1 51 GLU QG . . 5.360 4.728 4.472 4.877 . 0 0 "[ . 1 . ]" 1
263 1 15 LEU HG 1 64 LEU HG . . 4.050 3.890 3.154 4.193 0.143 17 0 "[ . 1 . ]" 1
264 1 16 ARG H 1 16 ARG QB . . 3.590 2.834 2.573 3.353 . 0 0 "[ . 1 . ]" 1
265 1 16 ARG H 1 16 ARG HG2 . . 4.980 3.595 2.064 4.598 . 0 0 "[ . 1 . ]" 1
266 1 16 ARG H 1 16 ARG QG . . 4.530 3.117 2.054 3.613 . 0 0 "[ . 1 . ]" 1
267 1 16 ARG H 1 16 ARG HG3 . . 4.980 3.812 3.198 4.520 . 0 0 "[ . 1 . ]" 1
268 1 16 ARG H 1 17 ALA H . . 3.920 2.826 2.565 3.200 . 0 0 "[ . 1 . ]" 1
269 1 16 ARG H 1 18 CYS QB . . 5.030 3.529 3.195 3.785 . 0 0 "[ . 1 . ]" 1
270 1 16 ARG HA 1 16 ARG QB . . 2.750 2.343 2.137 2.455 . 0 0 "[ . 1 . ]" 1
271 1 16 ARG HA 1 16 ARG QD . . 4.370 3.379 2.178 3.968 . 0 0 "[ . 1 . ]" 1
272 1 16 ARG HA 1 19 GLN H . . 4.150 3.610 3.083 3.965 . 0 0 "[ . 1 . ]" 1
273 1 16 ARG HA 1 19 GLN QG . . 5.760 2.861 1.960 5.084 . 0 0 "[ . 1 . ]" 1
274 1 16 ARG HA 1 20 GLN QB . . 4.740 3.938 3.096 4.196 . 0 0 "[ . 1 . ]" 1
275 1 16 ARG HA 1 20 GLN QG . . 6.750 2.522 2.139 3.697 . 0 0 "[ . 1 . ]" 1
276 1 16 ARG QB 1 17 ALA MB . . 7.380 3.560 3.376 3.857 . 0 0 "[ . 1 . ]" 1
277 1 16 ARG QB 1 20 GLN QG . . 5.970 2.487 2.136 2.871 . 0 0 "[ . 1 . ]" 1
278 1 16 ARG HB2 1 17 ALA H . . 3.660 2.114 1.896 2.328 . 0 0 "[ . 1 . ]" 1
279 1 16 ARG HB3 1 17 ALA H . . 3.660 2.776 2.118 3.580 . 0 0 "[ . 1 . ]" 1
280 1 17 ALA H 1 18 CYS H . . 3.000 3.130 2.813 3.434 0.434 10 0 "[ . 1 . ]" 1
281 1 17 ALA H 1 48 CYS QB . . 6.880 4.804 3.907 5.532 . 0 0 "[ . 1 . ]" 1
282 1 17 ALA HA 1 19 GLN H . . 4.710 4.924 4.623 5.094 0.384 16 0 "[ . 1 . ]" 1
283 1 17 ALA HA 1 20 GLN H . . 3.820 3.941 3.750 4.100 0.280 6 0 "[ . 1 . ]" 1
284 1 17 ALA HA 1 20 GLN QB . . 4.770 2.256 2.011 3.763 . 0 0 "[ . 1 . ]" 1
285 1 17 ALA HA 1 21 TRP H . . 4.880 3.338 3.086 3.628 . 0 0 "[ . 1 . ]" 1
286 1 17 ALA HA 1 44 LEU MD1 . . 5.770 4.009 3.197 4.519 . 0 0 "[ . 1 . ]" 1
287 1 17 ALA HA 1 44 LEU QD . . 5.060 1.821 1.292 2.510 . 0 0 "[ . 1 . ]" 1
288 1 17 ALA HA 1 44 LEU MD2 . . 5.770 1.831 1.292 2.625 . 0 0 "[ . 1 . ]" 1
289 1 17 ALA MB 1 18 CYS H . . 4.000 2.661 2.211 3.220 . 0 0 "[ . 1 . ]" 1
290 1 17 ALA MB 1 18 CYS QB . . 7.250 4.023 3.673 4.614 . 0 0 "[ . 1 . ]" 1
291 1 17 ALA MB 1 19 GLN H . . 7.030 4.849 4.611 5.080 . 0 0 "[ . 1 . ]" 1
292 1 17 ALA MB 1 44 LEU QD . . 9.590 1.811 1.328 2.718 . 0 0 "[ . 1 . ]" 1
293 1 17 ALA MB 1 47 GLN HA . . 6.630 4.794 4.229 5.513 . 0 0 "[ . 1 . ]" 1
294 1 17 ALA MB 1 47 GLN QB . . 5.530 2.594 2.055 3.267 . 0 0 "[ . 1 . ]" 1
295 1 17 ALA MB 1 47 GLN QG . . 7.380 4.191 3.633 4.908 . 0 0 "[ . 1 . ]" 1
296 1 17 ALA MB 1 48 CYS H . . 4.500 3.035 2.165 3.627 . 0 0 "[ . 1 . ]" 1
297 1 17 ALA MB 1 48 CYS HA . . 4.500 2.934 2.191 3.522 . 0 0 "[ . 1 . ]" 1
298 1 17 ALA MB 1 48 CYS HB2 . . 5.500 2.779 1.869 3.327 . 0 0 "[ . 1 . ]" 1
299 1 17 ALA MB 1 48 CYS QB . . 5.180 2.659 1.845 3.190 . 0 0 "[ . 1 . ]" 1
300 1 17 ALA MB 1 48 CYS HB3 . . 5.500 3.477 2.740 4.126 . 0 0 "[ . 1 . ]" 1
301 1 17 ALA MB 1 51 GLU HB2 . . 5.050 4.083 3.951 4.193 . 0 0 "[ . 1 . ]" 1
302 1 17 ALA MB 1 51 GLU HG2 . . 7.030 3.546 2.942 4.180 . 0 0 "[ . 1 . ]" 1
303 1 17 ALA MB 1 51 GLU HG3 . . 7.030 4.201 3.754 4.379 . 0 0 "[ . 1 . ]" 1
304 1 18 CYS CB 1 48 CYS SG . . 3.100 3.122 2.986 3.294 0.194 17 0 "[ . 1 . ]" 1
305 1 18 CYS H 1 18 CYS HB2 . . 4.000 2.177 1.996 2.583 . 0 0 "[ . 1 . ]" 1
306 1 18 CYS H 1 18 CYS HB3 . . 4.000 3.228 2.912 3.620 . 0 0 "[ . 1 . ]" 1
307 1 18 CYS H 1 19 GLN H . . 3.000 2.739 2.037 3.176 0.176 16 0 "[ . 1 . ]" 1
308 1 18 CYS H 1 20 GLN H . . 5.210 4.115 3.707 4.444 . 0 0 "[ . 1 . ]" 1
309 1 18 CYS H 1 20 GLN QB . . 5.100 4.386 4.125 4.611 . 0 0 "[ . 1 . ]" 1
310 1 18 CYS H 1 44 LEU QD . . 7.340 3.992 3.066 4.410 . 0 0 "[ . 1 . ]" 1
311 1 18 CYS H 1 48 CYS HA . . 4.420 3.651 2.996 4.470 0.050 13 0 "[ . 1 . ]" 1
312 1 18 CYS H 1 92 LEU QD . . 7.280 5.382 5.304 5.442 . 0 0 "[ . 1 . ]" 1
313 1 18 CYS HA 1 21 TRP H . . 4.000 3.988 3.856 4.133 0.133 10 0 "[ . 1 . ]" 1
314 1 18 CYS HA 1 21 TRP QB . . 4.670 4.161 3.939 4.336 . 0 0 "[ . 1 . ]" 1
315 1 18 CYS HA 1 22 ILE H . . 5.000 4.958 4.777 5.083 0.083 12 0 "[ . 1 . ]" 1
316 1 18 CYS HA 1 45 ARG QD . . 5.400 4.920 4.797 5.010 . 0 0 "[ . 1 . ]" 1
317 1 18 CYS HA 1 48 CYS HB2 . . 4.280 2.347 2.028 3.072 . 0 0 "[ . 1 . ]" 1
318 1 18 CYS HA 1 48 CYS QB . . 3.850 2.292 2.013 2.954 . 0 0 "[ . 1 . ]" 1
319 1 18 CYS HA 1 48 CYS HB3 . . 4.280 3.309 2.812 3.834 . 0 0 "[ . 1 . ]" 1
320 1 18 CYS HA 1 92 LEU QD . . 7.070 3.422 3.236 3.636 . 0 0 "[ . 1 . ]" 1
321 1 18 CYS QB 1 19 GLN H . . 4.440 2.329 2.163 2.545 . 0 0 "[ . 1 . ]" 1
322 1 18 CYS QB 1 19 GLN QG . . 5.740 3.496 2.754 3.794 . 0 0 "[ . 1 . ]" 1
323 1 18 CYS QB 1 48 CYS HA . . 6.250 3.592 2.350 4.972 . 0 0 "[ . 1 . ]" 1
324 1 18 CYS QB 1 48 CYS QB . . 5.370 2.873 2.149 3.841 . 0 0 "[ . 1 . ]" 1
325 1 18 CYS QB 1 67 ALA MB . . 7.910 3.664 2.553 5.164 . 0 0 "[ . 1 . ]" 1
326 1 18 CYS QB 1 92 LEU QD . . 6.970 3.578 3.110 3.843 . 0 0 "[ . 1 . ]" 1
327 1 18 CYS HB2 1 19 GLN H . . 5.000 2.933 2.217 3.362 . 0 0 "[ . 1 . ]" 1
328 1 18 CYS HB3 1 19 GLN H . . 5.000 2.673 2.195 3.702 . 0 0 "[ . 1 . ]" 1
329 1 18 CYS SG 1 48 CYS CB . . 3.100 3.147 2.995 3.338 0.238 17 0 "[ . 1 . ]" 1
330 1 18 CYS SG 1 48 CYS SG . . 2.100 2.031 1.987 2.068 . 0 0 "[ . 1 . ]" 1
331 1 19 GLN H 1 19 GLN QB . . 3.740 2.485 2.096 2.787 . 0 0 "[ . 1 . ]" 1
332 1 19 GLN H 1 19 GLN HG2 . . 3.460 2.805 2.046 3.197 . 0 0 "[ . 1 . ]" 1
333 1 19 GLN H 1 19 GLN QG . . 3.280 2.229 1.955 3.006 . 0 0 "[ . 1 . ]" 1
334 1 19 GLN H 1 19 GLN HG3 . . 3.460 2.536 2.027 3.657 0.197 18 0 "[ . 1 . ]" 1
335 1 19 GLN H 1 20 GLN H . . 2.960 3.160 2.972 3.319 0.359 6 0 "[ . 1 . ]" 1
336 1 19 GLN H 1 67 ALA MB . . 7.030 3.647 3.210 4.683 . 0 0 "[ . 1 . ]" 1
337 1 19 GLN HA 1 20 GLN QG . . 6.090 4.654 4.358 4.939 . 0 0 "[ . 1 . ]" 1
338 1 19 GLN HA 1 22 ILE H . . 5.510 4.065 3.867 4.189 . 0 0 "[ . 1 . ]" 1
339 1 19 GLN HA 1 22 ILE HB . . 4.190 3.849 3.511 4.119 . 0 0 "[ . 1 . ]" 1
340 1 19 GLN HA 1 22 ILE MD . . 4.950 2.671 2.202 3.652 . 0 0 "[ . 1 . ]" 1
341 1 19 GLN HA 1 67 ALA MB . . 6.900 4.148 3.384 4.575 . 0 0 "[ . 1 . ]" 1
342 1 19 GLN QB 1 20 GLN H . . 4.410 4.000 3.837 4.088 . 0 0 "[ . 1 . ]" 1
343 1 19 GLN QE 1 20 GLN QB . . 7.540 5.664 4.742 6.158 . 0 0 "[ . 1 . ]" 1
344 1 19 GLN QE 1 20 GLN QG . . 7.740 4.309 3.204 5.989 . 0 0 "[ . 1 . ]" 1
345 1 19 GLN QE 1 67 ALA HA . . 4.730 3.487 2.725 4.795 0.065 10 0 "[ . 1 . ]" 1
346 1 19 GLN QE 1 67 ALA MB . . 5.160 3.539 3.254 3.992 . 0 0 "[ . 1 . ]" 1
347 1 19 GLN QE 1 71 VAL HB . . 6.440 3.706 2.119 5.013 . 0 0 "[ . 1 . ]" 1
348 1 19 GLN QE 1 72 ARG QG . . 7.740 6.104 5.654 6.369 . 0 0 "[ . 1 . ]" 1
349 1 19 GLN QG 1 20 GLN H . . 6.390 4.018 3.676 4.569 . 0 0 "[ . 1 . ]" 1
350 1 19 GLN QG 1 67 ALA H . . 6.090 5.002 4.054 5.351 . 0 0 "[ . 1 . ]" 1
351 1 19 GLN QG 1 67 ALA HA . . 5.590 3.377 2.015 4.472 . 0 0 "[ . 1 . ]" 1
352 1 19 GLN QG 1 67 ALA MB . . 6.130 1.930 1.470 2.287 . 0 0 "[ . 1 . ]" 1
353 1 19 GLN QG 1 71 VAL QG . . 9.470 3.511 2.721 4.159 . 0 0 "[ . 1 . ]" 1
354 1 20 GLN H 1 20 GLN HB2 . . 3.990 2.828 2.655 3.955 . 0 0 "[ . 1 . ]" 1
355 1 20 GLN H 1 20 GLN QB . . 3.430 2.724 2.603 3.103 . 0 0 "[ . 1 . ]" 1
356 1 20 GLN H 1 20 GLN HB3 . . 3.990 3.783 3.244 3.877 . 0 0 "[ . 1 . ]" 1
357 1 20 GLN H 1 20 GLN HG2 . . 4.220 3.689 3.318 4.154 . 0 0 "[ . 1 . ]" 1
358 1 20 GLN H 1 20 GLN HG3 . . 4.220 4.055 2.407 4.381 0.161 14 0 "[ . 1 . ]" 1
359 1 20 GLN H 1 21 TRP H . . 3.130 1.920 1.700 2.156 . 0 0 "[ . 1 . ]" 1
360 1 20 GLN H 1 21 TRP QB . . 5.230 3.939 3.829 4.091 . 0 0 "[ . 1 . ]" 1
361 1 20 GLN H 1 21 TRP HD1 . . 6.000 3.467 2.758 3.735 . 0 0 "[ . 1 . ]" 1
362 1 20 GLN H 1 22 ILE H . . 5.110 2.831 2.640 3.064 . 0 0 "[ . 1 . ]" 1
363 1 20 GLN HA 1 21 TRP HD1 . . 6.000 6.128 5.504 6.328 0.328 16 0 "[ . 1 . ]" 1
364 1 20 GLN HA 1 22 ILE H . . 4.910 3.920 3.658 4.214 . 0 0 "[ . 1 . ]" 1
365 1 20 GLN HA 1 23 ARG H . . 3.820 3.138 2.840 3.429 . 0 0 "[ . 1 . ]" 1
366 1 20 GLN HA 1 23 ARG QB . . 4.170 2.862 1.963 3.658 . 0 0 "[ . 1 . ]" 1
367 1 20 GLN HA 1 23 ARG QD . . 6.850 3.149 1.814 5.479 . 0 0 "[ . 1 . ]" 1
368 1 20 GLN HA 1 71 VAL QG . . 6.810 3.811 3.262 4.718 . 0 0 "[ . 1 . ]" 1
369 1 20 GLN QB 1 21 TRP H . . 3.640 2.618 2.435 3.545 . 0 0 "[ . 1 . ]" 1
370 1 20 GLN QB 1 21 TRP HD1 . . 6.880 4.776 4.525 5.199 . 0 0 "[ . 1 . ]" 1
371 1 20 GLN HB2 1 21 TRP H . . 3.990 2.726 2.551 4.033 0.043 13 0 "[ . 1 . ]" 1
372 1 20 GLN HB3 1 21 TRP H . . 3.990 3.457 3.054 3.931 . 0 0 "[ . 1 . ]" 1
373 1 20 GLN QG 1 44 LEU QD . . 8.850 3.919 2.282 4.846 . 0 0 "[ . 1 . ]" 1
374 1 20 GLN QG 1 67 ALA MB . . 7.910 5.824 5.593 6.224 . 0 0 "[ . 1 . ]" 1
375 1 20 GLN QG 1 71 VAL QG . . 9.370 4.399 3.776 5.290 . 0 0 "[ . 1 . ]" 1
376 1 21 TRP H 1 21 TRP HB2 . . 3.660 3.542 3.513 3.561 . 0 0 "[ . 1 . ]" 1
377 1 21 TRP H 1 21 TRP QB . . 3.260 2.282 2.189 2.405 . 0 0 "[ . 1 . ]" 1
378 1 21 TRP H 1 21 TRP HB3 . . 3.660 2.311 2.211 2.445 . 0 0 "[ . 1 . ]" 1
379 1 21 TRP H 1 22 ILE H . . 3.030 2.688 2.581 2.797 . 0 0 "[ . 1 . ]" 1
380 1 21 TRP H 1 44 LEU QB . . 6.880 4.045 3.201 5.379 . 0 0 "[ . 1 . ]" 1
381 1 21 TRP H 1 44 LEU MD1 . . 7.030 3.847 3.067 4.520 . 0 0 "[ . 1 . ]" 1
382 1 21 TRP H 1 44 LEU QD . . 6.300 2.384 2.174 2.846 . 0 0 "[ . 1 . ]" 1
383 1 21 TRP H 1 44 LEU MD2 . . 7.030 2.436 2.180 3.103 . 0 0 "[ . 1 . ]" 1
384 1 21 TRP HA 1 21 TRP HD1 . . 4.750 4.657 4.443 4.707 . 0 0 "[ . 1 . ]" 1
385 1 21 TRP HA 1 21 TRP HE3 . . 4.940 3.870 3.719 4.151 . 0 0 "[ . 1 . ]" 1
386 1 21 TRP HA 1 24 GLN H . . 3.490 3.099 2.638 3.492 0.002 18 0 "[ . 1 . ]" 1
387 1 21 TRP HA 1 44 LEU MD1 . . 6.530 2.500 1.728 3.235 . 0 0 "[ . 1 . ]" 1
388 1 21 TRP HA 1 44 LEU MD2 . . 6.530 2.832 2.012 4.304 . 0 0 "[ . 1 . ]" 1
389 1 21 TRP QB 1 22 ILE H . . 4.970 3.512 3.389 3.628 . 0 0 "[ . 1 . ]" 1
390 1 21 TRP QB 1 23 ARG H . . 5.530 4.927 4.698 5.177 . 0 0 "[ . 1 . ]" 1
391 1 21 TRP QB 1 36 TRP HD1 . . 7.000 6.107 5.609 6.309 . 0 0 "[ . 1 . ]" 1
392 1 21 TRP QB 1 44 LEU QB . . 7.100 2.089 1.844 3.311 . 0 0 "[ . 1 . ]" 1
393 1 21 TRP QB 1 44 LEU QD . . 9.280 1.748 1.398 2.419 . 0 0 "[ . 1 . ]" 1
394 1 21 TRP HD1 1 22 ILE MD . . 6.500 4.603 3.801 5.221 . 0 0 "[ . 1 . ]" 1
395 1 21 TRP HD1 1 22 ILE QG . . 6.190 3.744 3.138 4.190 . 0 0 "[ . 1 . ]" 1
396 1 21 TRP HD1 1 44 LEU QB . . 4.600 3.636 3.037 3.926 . 0 0 "[ . 1 . ]" 1
397 1 21 TRP HD1 1 92 LEU QD . . 8.040 3.700 3.001 4.415 . 0 0 "[ . 1 . ]" 1
398 1 21 TRP HE1 1 22 ILE MG . . 7.030 5.526 4.996 5.867 . 0 0 "[ . 1 . ]" 1
399 1 21 TRP HE1 1 92 LEU QD . . 8.600 1.717 1.297 2.337 . 0 0 "[ . 1 . ]" 1
400 1 21 TRP HE3 1 22 ILE H . . 4.880 4.017 3.622 4.324 . 0 0 "[ . 1 . ]" 1
401 1 21 TRP HE3 1 22 ILE HA . . 5.140 3.161 2.618 3.578 . 0 0 "[ . 1 . ]" 1
402 1 21 TRP HE3 1 22 ILE MD . . 7.030 5.399 4.815 5.726 . 0 0 "[ . 1 . ]" 1
403 1 21 TRP HE3 1 22 ILE QG . . 5.990 3.834 3.355 4.189 . 0 0 "[ . 1 . ]" 1
404 1 21 TRP HE3 1 22 ILE MG . . 7.030 4.750 4.105 4.986 . 0 0 "[ . 1 . ]" 1
405 1 21 TRP HE3 1 24 GLN QG . . 6.880 5.543 3.188 6.268 . 0 0 "[ . 1 . ]" 1
406 1 21 TRP HE3 1 44 LEU QB . . 6.880 4.917 4.294 5.860 . 0 0 "[ . 1 . ]" 1
407 1 21 TRP HE3 1 44 LEU QD . . 8.600 4.506 4.123 4.776 . 0 0 "[ . 1 . ]" 1
408 1 21 TRP HE3 1 88 ILE MG . . 5.910 4.209 3.547 4.782 . 0 0 "[ . 1 . ]" 1
409 1 21 TRP HE3 1 92 LEU QD . . 8.600 5.211 4.952 5.554 . 0 0 "[ . 1 . ]" 1
410 1 21 TRP HZ2 1 64 LEU QD . . 7.710 5.456 5.192 5.710 . 0 0 "[ . 1 . ]" 1
411 1 21 TRP HZ3 1 22 ILE MG . . 5.610 4.157 3.091 4.561 . 0 0 "[ . 1 . ]" 1
412 1 21 TRP HZ3 1 92 LEU MD1 . . 7.030 5.785 5.697 5.869 . 0 0 "[ . 1 . ]" 1
413 1 21 TRP HZ3 1 92 LEU MD2 . . 7.030 5.711 5.236 5.890 . 0 0 "[ . 1 . ]" 1
414 1 22 ILE H 1 22 ILE HB . . 3.000 2.619 2.509 2.844 . 0 0 "[ . 1 . ]" 1
415 1 22 ILE H 1 22 ILE MD . . 5.710 3.464 3.199 3.683 . 0 0 "[ . 1 . ]" 1
416 1 22 ILE H 1 22 ILE QG . . 4.770 1.935 1.853 2.004 . 0 0 "[ . 1 . ]" 1
417 1 22 ILE H 1 23 ARG H . . 3.490 2.565 2.349 2.721 . 0 0 "[ . 1 . ]" 1
418 1 22 ILE H 1 44 LEU QD . . 8.230 4.227 4.048 4.477 . 0 0 "[ . 1 . ]" 1
419 1 22 ILE HA 1 25 GLN H . . 4.650 3.872 3.201 4.528 . 0 0 "[ . 1 . ]" 1
420 1 22 ILE HA 1 25 GLN QB . . 5.630 3.514 2.553 4.326 . 0 0 "[ . 1 . ]" 1
421 1 22 ILE HA 1 44 LEU QD . . 7.710 5.681 5.442 5.857 . 0 0 "[ . 1 . ]" 1
422 1 22 ILE HA 1 71 VAL MG1 . . 7.030 5.481 4.731 5.765 . 0 0 "[ . 1 . ]" 1
423 1 22 ILE HA 1 71 VAL QG . . 6.570 4.631 3.912 4.851 . 0 0 "[ . 1 . ]" 1
424 1 22 ILE HA 1 71 VAL MG2 . . 7.030 5.033 4.164 5.742 . 0 0 "[ . 1 . ]" 1
425 1 22 ILE HA 1 88 ILE MD . . 6.000 4.351 3.708 4.894 . 0 0 "[ . 1 . ]" 1
426 1 22 ILE HB 1 23 ARG H . . 3.230 2.889 2.622 3.106 . 0 0 "[ . 1 . ]" 1
427 1 22 ILE HB 1 71 VAL QG . . 6.540 2.424 1.604 2.754 . 0 0 "[ . 1 . ]" 1
428 1 22 ILE MD 1 23 ARG H . . 7.030 4.713 4.390 5.051 . 0 0 "[ . 1 . ]" 1
429 1 22 ILE MD 1 44 LEU QD . . 9.630 5.756 5.461 5.944 . 0 0 "[ . 1 . ]" 1
430 1 22 ILE MD 1 71 VAL QG . . 8.230 2.057 1.369 2.880 . 0 0 "[ . 1 . ]" 1
431 1 22 ILE MD 1 86 TYR QD . . 8.410 5.922 5.682 6.286 . 0 0 "[ . 1 . ]" 1
432 1 22 ILE MD 1 86 TYR QE . . 9.160 6.617 6.273 6.888 . 0 0 "[ . 1 . ]" 1
433 1 22 ILE MD 1 89 ALA H . . 6.960 3.817 3.002 4.412 . 0 0 "[ . 1 . ]" 1
434 1 22 ILE MD 1 89 ALA HA . . 5.280 3.187 2.701 3.755 . 0 0 "[ . 1 . ]" 1
435 1 22 ILE MD 1 89 ALA MB . . 6.140 2.130 1.727 2.472 . 0 0 "[ . 1 . ]" 1
436 1 22 ILE MD 1 92 LEU MD1 . . 8.060 2.166 1.536 2.760 . 0 0 "[ . 1 . ]" 1
437 1 22 ILE MD 1 92 LEU QD . . 6.930 2.155 1.532 2.742 . 0 0 "[ . 1 . ]" 1
438 1 22 ILE MD 1 92 LEU MD2 . . 8.060 3.960 3.135 4.711 . 0 0 "[ . 1 . ]" 1
439 1 22 ILE QG 1 23 ARG H . . 5.200 3.879 3.554 4.038 . 0 0 "[ . 1 . ]" 1
440 1 22 ILE QG 1 23 ARG QD . . 6.170 4.788 4.417 4.989 . 0 0 "[ . 1 . ]" 1
441 1 22 ILE MG 1 23 ARG H . . 5.770 3.835 3.552 4.060 . 0 0 "[ . 1 . ]" 1
442 1 22 ILE MG 1 23 ARG HA . . 6.860 4.030 3.765 4.290 . 0 0 "[ . 1 . ]" 1
443 1 22 ILE MG 1 24 GLN H . . 6.630 4.998 4.638 5.468 . 0 0 "[ . 1 . ]" 1
444 1 22 ILE MG 1 85 ILE HA . . 5.380 2.724 2.290 3.761 . 0 0 "[ . 1 . ]" 1
445 1 22 ILE MG 1 85 ILE QG . . 7.610 3.694 2.911 4.381 . 0 0 "[ . 1 . ]" 1
446 1 22 ILE MG 1 86 TYR QD . . 9.170 5.925 5.258 6.348 . 0 0 "[ . 1 . ]" 1
447 1 22 ILE MG 1 88 ILE HB . . 4.160 2.832 2.273 3.398 . 0 0 "[ . 1 . ]" 1
448 1 22 ILE MG 1 88 ILE MD . . 6.040 2.917 1.835 3.666 . 0 0 "[ . 1 . ]" 1
449 1 22 ILE MG 1 89 ALA H . . 5.710 4.037 3.061 4.590 . 0 0 "[ . 1 . ]" 1
450 1 22 ILE MG 1 89 ALA HA . . 6.400 4.631 3.289 5.263 . 0 0 "[ . 1 . ]" 1
451 1 22 ILE MG 1 89 ALA MB . . 7.200 3.350 1.943 4.188 . 0 0 "[ . 1 . ]" 1
452 1 23 ARG H 1 23 ARG HB2 . . 4.020 2.483 2.092 3.606 . 0 0 "[ . 1 . ]" 1
453 1 23 ARG H 1 23 ARG QB . . 3.420 2.319 2.072 2.703 . 0 0 "[ . 1 . ]" 1
454 1 23 ARG H 1 23 ARG HB3 . . 4.020 3.377 2.330 3.653 . 0 0 "[ . 1 . ]" 1
455 1 23 ARG H 1 24 GLN H . . 4.850 2.516 2.210 2.822 . 0 0 "[ . 1 . ]" 1
456 1 23 ARG HA 1 23 ARG QD . . 4.540 2.841 1.973 4.229 . 0 0 "[ . 1 . ]" 1
457 1 23 ARG HA 1 23 ARG HE . . 6.000 4.548 2.418 5.947 . 0 0 "[ . 1 . ]" 1
458 1 23 ARG HA 1 25 GLN H . . 3.890 3.554 3.191 3.958 0.068 14 0 "[ . 1 . ]" 1
459 1 23 ARG HA 1 26 LEU H . . 4.480 3.785 3.420 4.271 . 0 0 "[ . 1 . ]" 1
460 1 23 ARG HA 1 26 LEU HB2 . . 5.140 4.324 3.688 5.009 . 0 0 "[ . 1 . ]" 1
461 1 23 ARG HA 1 26 LEU QD . . 6.580 1.880 1.632 2.668 . 0 0 "[ . 1 . ]" 1
462 1 23 ARG HA 1 71 VAL QG . . 8.590 4.425 3.225 5.223 . 0 0 "[ . 1 . ]" 1
463 1 23 ARG QB 1 24 GLN H . . 4.080 3.166 2.841 3.736 . 0 0 "[ . 1 . ]" 1
464 1 23 ARG QD 1 71 VAL QG . . 8.970 2.333 1.348 4.105 . 0 0 "[ . 1 . ]" 1
465 1 23 ARG HE 1 71 VAL QG . . 8.590 3.634 2.626 5.767 . 0 0 "[ . 1 . ]" 1
466 1 23 ARG QG 1 71 VAL QG . . 8.080 3.518 2.019 5.221 . 0 0 "[ . 1 . ]" 1
467 1 24 GLN H 1 24 GLN HA . . 2.770 2.872 2.784 2.952 0.182 14 0 "[ . 1 . ]" 1
468 1 24 GLN H 1 24 GLN HB2 . . 3.460 2.395 2.072 3.512 0.052 17 0 "[ . 1 . ]" 1
469 1 24 GLN H 1 24 GLN QB . . 3.220 2.199 2.052 2.425 . 0 0 "[ . 1 . ]" 1
470 1 24 GLN H 1 24 GLN HB3 . . 3.460 3.144 2.163 3.589 0.129 4 0 "[ . 1 . ]" 1
471 1 24 GLN H 1 25 GLN H . . 3.620 2.575 1.986 2.843 . 0 0 "[ . 1 . ]" 1
472 1 24 GLN QB 1 25 GLN QB . . 6.070 4.458 4.183 4.950 . 0 0 "[ . 1 . ]" 1
473 1 24 GLN QB 1 26 LEU QD . . 9.480 4.920 4.432 5.312 . 0 0 "[ . 1 . ]" 1
474 1 24 GLN HB2 1 25 GLN HB2 . . 6.790 5.729 4.898 6.464 . 0 0 "[ . 1 . ]" 1
475 1 24 GLN HB2 1 25 GLN HB3 . . 6.790 6.172 4.733 6.834 0.044 14 0 "[ . 1 . ]" 1
476 1 24 GLN HB3 1 25 GLN HB2 . . 6.790 5.575 4.511 6.582 . 0 0 "[ . 1 . ]" 1
477 1 24 GLN HB3 1 25 GLN HB3 . . 6.790 5.968 5.049 6.783 . 0 0 "[ . 1 . ]" 1
478 1 25 GLN H 1 25 GLN QG . . 3.940 3.198 2.080 3.781 . 0 0 "[ . 1 . ]" 1
479 1 25 GLN H 1 26 LEU H . . 4.150 2.556 2.237 2.755 . 0 0 "[ . 1 . ]" 1
480 1 25 GLN H 1 26 LEU MD1 . . 7.030 3.859 2.687 5.494 . 0 0 "[ . 1 . ]" 1
481 1 25 GLN H 1 26 LEU QD . . 6.720 2.958 2.439 3.419 . 0 0 "[ . 1 . ]" 1
482 1 25 GLN H 1 26 LEU MD2 . . 7.030 4.220 2.445 5.989 . 0 0 "[ . 1 . ]" 1
483 1 25 GLN HA 1 26 LEU MD1 . . 7.030 5.120 4.234 5.966 . 0 0 "[ . 1 . ]" 1
484 1 25 GLN HA 1 26 LEU QD . . 6.570 4.274 3.897 4.566 . 0 0 "[ . 1 . ]" 1
485 1 25 GLN HA 1 26 LEU MD2 . . 7.030 5.128 3.963 5.957 . 0 0 "[ . 1 . ]" 1
486 1 25 GLN QB 1 88 ILE QG . . 7.680 5.018 3.949 6.144 . 0 0 "[ . 1 . ]" 1
487 1 25 GLN QG 1 26 LEU H . . 5.560 4.063 2.614 4.776 . 0 0 "[ . 1 . ]" 1
488 1 26 LEU H 1 26 LEU HB2 . . 3.290 2.851 2.344 3.353 0.063 12 0 "[ . 1 . ]" 1
489 1 26 LEU H 1 26 LEU HB3 . . 3.690 3.706 3.565 3.817 0.127 5 0 "[ . 1 . ]" 1
490 1 26 LEU H 1 26 LEU HG . . 3.560 2.973 2.051 3.753 0.193 10 0 "[ . 1 . ]" 1
491 1 26 LEU H 1 29 SER QB . . 5.360 4.462 3.716 4.914 . 0 0 "[ . 1 . ]" 1
492 1 26 LEU HB2 1 27 ALA H . . 4.190 3.186 2.283 4.149 . 0 0 "[ . 1 . ]" 1
493 1 26 LEU HB2 1 28 GLY QA . . 5.490 3.827 3.237 4.896 . 0 0 "[ . 1 . ]" 1
494 1 26 LEU HB3 1 26 LEU HG . . 2.700 2.647 2.456 2.948 0.248 13 0 "[ . 1 . ]" 1
495 1 26 LEU HB3 1 28 GLY QA . . 5.920 4.617 3.611 5.207 . 0 0 "[ . 1 . ]" 1
496 1 26 LEU QD 1 28 GLY QA . . 7.860 4.061 3.244 5.317 . 0 0 "[ . 1 . ]" 1
497 1 26 LEU QD 1 77 HIS HE1 . . 8.600 5.728 3.459 6.403 . 0 0 "[ . 1 . ]" 1
498 1 26 LEU MD1 1 28 GLY H . . 7.030 3.921 2.978 5.288 . 0 0 "[ . 1 . ]" 1
499 1 26 LEU MD2 1 28 GLY H . . 7.030 4.733 4.048 5.561 . 0 0 "[ . 1 . ]" 1
500 1 26 LEU HG 1 28 GLY QA . . 6.880 5.900 5.292 6.128 . 0 0 "[ . 1 . ]" 1
501 1 29 SER HA 1 31 PHE QD . . 6.600 5.574 4.744 6.225 . 0 0 "[ . 1 . ]" 1
502 1 30 PRO HA 1 31 PHE HZ . . 5.010 4.963 4.555 5.173 0.163 15 0 "[ . 1 . ]" 1
503 1 31 PHE HA 1 32 SER H . . 3.530 2.627 2.164 3.540 0.010 3 0 "[ . 1 . ]" 1
504 1 34 ASN H 1 34 ASN HB2 . . 3.790 2.800 2.053 3.732 . 0 0 "[ . 1 . ]" 1
505 1 34 ASN H 1 34 ASN QB . . 3.590 2.567 2.029 3.113 . 0 0 "[ . 1 . ]" 1
506 1 34 ASN H 1 34 ASN HB3 . . 3.790 3.320 2.548 3.849 0.059 18 0 "[ . 1 . ]" 1
507 1 35 GLN H 1 35 GLN QB . . 3.740 2.629 1.985 3.442 . 0 0 "[ . 1 . ]" 1
508 1 35 GLN QB 1 39 GLN H . . 4.970 4.083 2.890 4.547 . 0 0 "[ . 1 . ]" 1
509 1 35 GLN QG 1 37 GLY QA . . 5.900 4.066 2.996 4.774 . 0 0 "[ . 1 . ]" 1
510 1 35 GLN QG 1 39 GLN QG . . 6.030 3.695 2.147 4.511 . 0 0 "[ . 1 . ]" 1
511 1 36 TRP H 1 36 TRP QB . . 3.900 2.430 2.087 3.000 . 0 0 "[ . 1 . ]" 1
512 1 36 TRP H 1 36 TRP HD1 . . 6.000 4.451 2.057 5.365 . 0 0 "[ . 1 . ]" 1
513 1 36 TRP H 1 38 PRO QD . . 6.880 4.051 2.454 6.227 . 0 0 "[ . 1 . ]" 1
514 1 36 TRP HA 1 36 TRP HD1 . . 4.120 3.643 2.217 4.187 0.067 2 0 "[ . 1 . ]" 1
515 1 36 TRP QB 1 37 GLY H . . 5.730 3.101 1.912 4.032 . 0 0 "[ . 1 . ]" 1
516 1 37 GLY QA 1 39 GLN H . . 5.100 3.948 2.929 4.687 . 0 0 "[ . 1 . ]" 1
517 1 38 PRO HA 1 41 GLY H . . 3.560 3.580 2.923 4.352 0.792 16 1 "[ . 1 .+ ]" 1
518 1 39 GLN H 1 39 GLN QB . . 3.810 2.258 2.027 2.612 . 0 0 "[ . 1 . ]" 1
519 1 39 GLN H 1 41 GLY H . . 4.850 3.774 2.375 5.278 0.428 16 0 "[ . 1 . ]" 1
520 1 39 GLN HA 1 39 GLN QG . . 3.870 2.381 1.973 3.449 . 0 0 "[ . 1 . ]" 1
521 1 39 GLN HA 1 41 GLY H . . 4.550 4.308 3.739 4.946 0.396 16 0 "[ . 1 . ]" 1
522 1 39 GLN QB 1 42 PRO QD . . 6.630 4.940 3.876 5.303 . 0 0 "[ . 1 . ]" 1
523 1 41 GLY H 1 42 PRO QD . . 6.680 2.524 2.012 3.896 . 0 0 "[ . 1 . ]" 1
524 1 41 GLY QA 1 44 LEU QB . . 6.210 4.310 3.065 4.964 . 0 0 "[ . 1 . ]" 1
525 1 42 PRO HA 1 44 LEU H . . 3.990 4.096 3.978 4.224 0.234 6 0 "[ . 1 . ]" 1
526 1 42 PRO QD 1 43 SER QB . . 7.750 4.145 3.582 4.335 . 0 0 "[ . 1 . ]" 1
527 1 42 PRO QD 1 44 LEU H . . 6.880 5.294 4.315 5.714 . 0 0 "[ . 1 . ]" 1
528 1 43 SER H 1 43 SER HB2 . . 3.950 2.798 2.427 2.988 . 0 0 "[ . 1 . ]" 1
529 1 43 SER H 1 43 SER QB . . 3.740 2.697 2.371 2.828 . 0 0 "[ . 1 . ]" 1
530 1 43 SER H 1 43 SER HB3 . . 3.950 3.580 3.326 3.705 . 0 0 "[ . 1 . ]" 1
531 1 43 SER H 1 44 LEU H . . 4.850 3.651 2.853 3.893 . 0 0 "[ . 1 . ]" 1
532 1 43 SER HA 1 44 LEU H . . 3.460 2.490 2.357 2.873 . 0 0 "[ . 1 . ]" 1
533 1 43 SER HA 1 45 ARG H . . 3.950 4.016 3.715 4.156 0.206 9 0 "[ . 1 . ]" 1
534 1 43 SER QB 1 44 LEU H . . 4.300 3.909 3.830 3.982 . 0 0 "[ . 1 . ]" 1
535 1 43 SER HB2 1 44 LEU H . . 4.610 4.389 4.300 4.509 . 0 0 "[ . 1 . ]" 1
536 1 43 SER HB3 1 44 LEU H . . 4.610 4.387 4.298 4.499 . 0 0 "[ . 1 . ]" 1
537 1 44 LEU H 1 44 LEU HG . . 4.610 3.777 2.670 4.506 . 0 0 "[ . 1 . ]" 1
538 1 44 LEU H 1 45 ARG H . . 3.990 2.167 1.795 3.062 . 0 0 "[ . 1 . ]" 1
539 1 44 LEU H 1 48 CYS H . . 4.920 5.063 4.774 5.320 0.400 10 0 "[ . 1 . ]" 1
540 1 44 LEU HA 1 44 LEU MD1 . . 4.650 3.609 3.313 3.781 . 0 0 "[ . 1 . ]" 1
541 1 44 LEU HA 1 44 LEU MD2 . . 4.650 2.756 2.115 3.538 . 0 0 "[ . 1 . ]" 1
542 1 44 LEU HA 1 47 GLN H . . 4.750 3.272 2.807 3.722 . 0 0 "[ . 1 . ]" 1
543 1 44 LEU HA 1 47 GLN QB . . 4.440 2.395 2.137 2.767 . 0 0 "[ . 1 . ]" 1
544 1 44 LEU HA 1 47 GLN QG . . 5.630 4.353 4.108 4.805 . 0 0 "[ . 1 . ]" 1
545 1 44 LEU QB 1 45 ARG HA . . 6.180 3.893 3.824 3.949 . 0 0 "[ . 1 . ]" 1
546 1 44 LEU QD 1 45 ARG HA . . 7.900 4.804 3.891 5.223 . 0 0 "[ . 1 . ]" 1
547 1 44 LEU QD 1 47 GLN QB . . 8.880 3.679 2.969 4.167 . 0 0 "[ . 1 . ]" 1
548 1 44 LEU QD 1 47 GLN QG . . 8.030 5.162 4.709 5.372 . 0 0 "[ . 1 . ]" 1
549 1 44 LEU HG 1 47 GLN QB . . 4.410 4.005 3.864 4.129 . 0 0 "[ . 1 . ]" 1
550 1 45 ARG H 1 45 ARG QD . . 6.090 2.892 2.280 3.346 . 0 0 "[ . 1 . ]" 1
551 1 45 ARG H 1 46 GLU H . . 3.260 2.840 2.569 3.104 . 0 0 "[ . 1 . ]" 1
552 1 45 ARG HA 1 48 CYS H . . 3.730 3.782 3.361 4.264 0.534 12 1 "[ . 1 + . ]" 1
553 1 45 ARG HA 1 48 CYS QB . . 5.230 2.994 2.504 3.717 . 0 0 "[ . 1 . ]" 1
554 1 45 ARG QB 1 46 GLU H . . 4.290 2.595 1.978 3.151 . 0 0 "[ . 1 . ]" 1
555 1 45 ARG HB2 1 46 GLU H . . 4.710 2.891 2.014 3.589 . 0 0 "[ . 1 . ]" 1
556 1 45 ARG HB3 1 46 GLU H . . 4.710 3.207 2.286 3.941 . 0 0 "[ . 1 . ]" 1
557 1 45 ARG HE 1 95 VAL QG . . 8.590 5.250 4.040 6.345 . 0 0 "[ . 1 . ]" 1
558 1 46 GLU H 1 46 GLU QB . . 3.610 2.186 1.979 2.481 . 0 0 "[ . 1 . ]" 1
559 1 46 GLU H 1 47 GLN H . . 3.720 2.501 2.176 2.846 . 0 0 "[ . 1 . ]" 1
560 1 46 GLU HA 1 46 GLU QG . . 3.810 2.147 1.966 2.425 . 0 0 "[ . 1 . ]" 1
561 1 46 GLU HA 1 48 CYS H . . 4.810 4.871 4.374 5.301 0.491 10 0 "[ . 1 . ]" 1
562 1 46 GLU HA 1 49 CYS H . . 4.320 3.673 3.374 4.023 . 0 0 "[ . 1 . ]" 1
563 1 46 GLU HA 1 49 CYS HB2 . . 4.350 2.625 2.268 3.111 . 0 0 "[ . 1 . ]" 1
564 1 46 GLU HA 1 49 CYS QB . . 4.060 2.563 2.231 2.914 . 0 0 "[ . 1 . ]" 1
565 1 46 GLU HA 1 49 CYS HB3 . . 4.350 3.740 3.116 4.441 0.091 15 0 "[ . 1 . ]" 1
566 1 46 GLU QB 1 47 GLN H . . 4.340 2.842 2.549 3.088 . 0 0 "[ . 1 . ]" 1
567 1 47 GLN H 1 47 GLN HB2 . . 3.560 2.126 2.083 2.230 . 0 0 "[ . 1 . ]" 1
568 1 47 GLN H 1 47 GLN QB . . 3.310 2.100 2.060 2.198 . 0 0 "[ . 1 . ]" 1
569 1 47 GLN H 1 47 GLN HB3 . . 3.560 3.286 3.195 3.389 . 0 0 "[ . 1 . ]" 1
570 1 47 GLN H 1 47 GLN HG2 . . 4.480 4.188 3.742 4.368 . 0 0 "[ . 1 . ]" 1
571 1 47 GLN H 1 47 GLN QG . . 3.870 3.416 3.159 3.575 . 0 0 "[ . 1 . ]" 1
572 1 47 GLN H 1 47 GLN HG3 . . 4.480 3.634 3.305 3.910 . 0 0 "[ . 1 . ]" 1
573 1 47 GLN HA 1 47 GLN HG2 . . 3.790 2.149 1.921 2.376 . 0 0 "[ . 1 . ]" 1
574 1 47 GLN HA 1 47 GLN QG . . 3.600 2.052 1.904 2.144 . 0 0 "[ . 1 . ]" 1
575 1 47 GLN HA 1 47 GLN HG3 . . 3.790 2.734 2.414 3.278 . 0 0 "[ . 1 . ]" 1
576 1 47 GLN HA 1 50 ASN H . . 4.480 3.535 3.309 3.786 . 0 0 "[ . 1 . ]" 1
577 1 47 GLN HA 1 50 ASN HB2 . . 3.860 2.916 2.633 3.204 . 0 0 "[ . 1 . ]" 1
578 1 47 GLN HA 1 50 ASN HB3 . . 4.220 3.797 3.157 4.311 0.091 4 0 "[ . 1 . ]" 1
579 1 47 GLN HA 1 50 ASN QD . . 5.780 4.889 4.572 5.146 . 0 0 "[ . 1 . ]" 1
580 1 47 GLN HA 1 51 GLU QG . . 6.720 5.902 5.765 6.028 . 0 0 "[ . 1 . ]" 1
581 1 47 GLN QB 1 48 CYS H . . 3.150 2.550 2.410 2.842 . 0 0 "[ . 1 . ]" 1
582 1 47 GLN HB2 1 48 CYS H . . 3.330 3.006 2.755 3.289 . 0 0 "[ . 1 . ]" 1
583 1 47 GLN HB3 1 48 CYS H . . 3.330 2.775 2.525 3.108 . 0 0 "[ . 1 . ]" 1
584 1 47 GLN QE 1 48 CYS HA . . 5.810 5.035 4.723 5.406 . 0 0 "[ . 1 . ]" 1
585 1 47 GLN QE 1 48 CYS QB . . 7.740 5.283 4.918 5.849 . 0 0 "[ . 1 . ]" 1
586 1 47 GLN QG 1 50 ASN QD . . 7.440 5.907 5.734 5.981 . 0 0 "[ . 1 . ]" 1
587 1 48 CYS H 1 48 CYS HB2 . . 3.620 2.979 2.726 3.435 . 0 0 "[ . 1 . ]" 1
588 1 48 CYS H 1 48 CYS QB . . 3.450 2.115 2.026 2.245 . 0 0 "[ . 1 . ]" 1
589 1 48 CYS H 1 48 CYS HB3 . . 3.620 2.175 2.054 2.375 . 0 0 "[ . 1 . ]" 1
590 1 48 CYS H 1 49 CYS H . . 3.330 2.744 2.442 3.031 . 0 0 "[ . 1 . ]" 1
591 1 48 CYS H 1 50 ASN H . . 4.320 3.931 3.762 4.135 . 0 0 "[ . 1 . ]" 1
592 1 48 CYS HA 1 51 GLU H . . 4.150 2.850 2.580 3.081 . 0 0 "[ . 1 . ]" 1
593 1 48 CYS HA 1 51 GLU HB3 . . 4.450 2.559 2.069 2.969 . 0 0 "[ . 1 . ]" 1
594 1 48 CYS HA 1 51 GLU HG2 . . 4.750 2.111 1.808 3.030 . 0 0 "[ . 1 . ]" 1
595 1 48 CYS HA 1 51 GLU QG . . 4.520 2.078 1.802 2.591 . 0 0 "[ . 1 . ]" 1
596 1 48 CYS HA 1 51 GLU HG3 . . 4.750 3.656 2.815 4.060 . 0 0 "[ . 1 . ]" 1
597 1 48 CYS QB 1 49 CYS H . . 3.780 2.859 2.610 3.193 . 0 0 "[ . 1 . ]" 1
598 1 48 CYS QB 1 50 ASN H . . 4.900 4.508 4.399 4.633 . 0 0 "[ . 1 . ]" 1
599 1 48 CYS QB 1 51 GLU H . . 5.160 4.578 4.302 4.819 . 0 0 "[ . 1 . ]" 1
600 1 48 CYS HB2 1 49 CYS H . . 4.120 4.117 4.013 4.226 0.106 19 0 "[ . 1 . ]" 1
601 1 48 CYS HB3 1 49 CYS H . . 4.120 2.920 2.644 3.348 . 0 0 "[ . 1 . ]" 1
602 1 49 CYS CB 1 96 CYS SG . . 3.100 3.108 3.052 3.239 0.139 1 0 "[ . 1 . ]" 1
603 1 49 CYS H 1 49 CYS HB2 . . 3.590 2.212 2.030 2.624 . 0 0 "[ . 1 . ]" 1
604 1 49 CYS H 1 49 CYS QB . . 3.320 2.183 2.009 2.564 . 0 0 "[ . 1 . ]" 1
605 1 49 CYS H 1 49 CYS HB3 . . 3.590 3.379 3.096 3.615 0.025 15 0 "[ . 1 . ]" 1
606 1 49 CYS H 1 50 ASN H . . 3.390 2.750 2.578 2.884 . 0 0 "[ . 1 . ]" 1
607 1 49 CYS HA 1 50 ASN QD . . 6.510 4.931 4.506 5.404 . 0 0 "[ . 1 . ]" 1
608 1 49 CYS HA 1 51 GLU H . . 5.510 4.662 3.972 5.172 . 0 0 "[ . 1 . ]" 1
609 1 49 CYS HA 1 52 LEU H . . 4.250 4.011 3.576 4.344 0.094 5 0 "[ . 1 . ]" 1
610 1 49 CYS HA 1 52 LEU QB . . 5.820 3.979 3.344 4.498 . 0 0 "[ . 1 . ]" 1
611 1 49 CYS HA 1 52 LEU MD1 . . 3.620 1.934 1.594 2.348 . 0 0 "[ . 1 . ]" 1
612 1 49 CYS HA 1 52 LEU QD . . 6.980 1.932 1.593 2.343 . 0 0 "[ . 1 . ]" 1
613 1 49 CYS QB 1 50 ASN H . . 3.800 3.159 2.881 3.445 . 0 0 "[ . 1 . ]" 1
614 1 49 CYS QB 1 50 ASN HB2 . . 4.470 4.120 4.019 4.236 . 0 0 "[ . 1 . ]" 1
615 1 49 CYS QB 1 50 ASN QD . . 6.550 3.330 2.845 4.047 . 0 0 "[ . 1 . ]" 1
616 1 49 CYS QB 1 52 LEU MD1 . . 5.200 3.613 3.123 3.840 . 0 0 "[ . 1 . ]" 1
617 1 49 CYS HB2 1 50 ASN H . . 4.120 3.490 2.963 3.981 . 0 0 "[ . 1 . ]" 1
618 1 49 CYS HB3 1 50 ASN H . . 4.120 3.737 3.184 4.002 . 0 0 "[ . 1 . ]" 1
619 1 49 CYS SG 1 96 CYS CB . . 3.100 3.022 2.932 3.146 0.046 18 0 "[ . 1 . ]" 1
620 1 49 CYS SG 1 96 CYS SG . . 2.100 2.033 2.002 2.058 . 0 0 "[ . 1 . ]" 1
621 1 50 ASN H 1 50 ASN HB2 . . 3.060 2.318 2.118 2.597 . 0 0 "[ . 1 . ]" 1
622 1 50 ASN H 1 50 ASN HB3 . . 3.530 3.248 3.015 3.413 . 0 0 "[ . 1 . ]" 1
623 1 50 ASN H 1 51 GLU H . . 3.590 2.114 1.892 2.457 . 0 0 "[ . 1 . ]" 1
624 1 50 ASN H 1 51 GLU QG . . 6.020 4.546 4.258 5.031 . 0 0 "[ . 1 . ]" 1
625 1 50 ASN H 1 52 LEU QD . . 8.600 3.520 3.239 3.768 . 0 0 "[ . 1 . ]" 1
626 1 50 ASN HA 1 52 LEU MD1 . . 4.520 3.661 3.372 4.090 . 0 0 "[ . 1 . ]" 1
627 1 50 ASN HA 1 52 LEU QD . . 8.600 3.629 3.350 4.048 . 0 0 "[ . 1 . ]" 1
628 1 50 ASN HA 1 53 TYR H . . 3.950 3.246 2.890 3.595 . 0 0 "[ . 1 . ]" 1
629 1 50 ASN HA 1 53 TYR QB . . 4.440 2.579 2.126 3.275 . 0 0 "[ . 1 . ]" 1
630 1 50 ASN HB2 1 51 GLU H . . 3.560 3.236 2.811 3.622 0.062 13 0 "[ . 1 . ]" 1
631 1 50 ASN HB3 1 51 GLU H . . 3.620 3.085 2.626 3.641 0.021 17 0 "[ . 1 . ]" 1
632 1 50 ASN QD 1 52 LEU H . . 6.310 5.639 5.486 5.816 . 0 0 "[ . 1 . ]" 1
633 1 51 GLU H 1 51 GLU QG . . 3.750 3.102 2.660 3.428 . 0 0 "[ . 1 . ]" 1
634 1 51 GLU H 1 52 LEU H . . 3.230 2.470 1.979 2.751 . 0 0 "[ . 1 . ]" 1
635 1 51 GLU H 1 52 LEU QD . . 8.600 3.841 3.448 4.116 . 0 0 "[ . 1 . ]" 1
636 1 51 GLU H 1 53 TYR H . . 5.140 3.781 3.346 4.031 . 0 0 "[ . 1 . ]" 1
637 1 51 GLU H 1 54 GLN QG . . 6.880 4.615 3.938 6.354 . 0 0 "[ . 1 . ]" 1
638 1 51 GLU HA 1 51 GLU HG2 . . 4.050 3.717 3.595 4.060 0.010 18 0 "[ . 1 . ]" 1
639 1 51 GLU HA 1 51 GLU QG . . 3.760 3.116 3.018 3.273 . 0 0 "[ . 1 . ]" 1
640 1 51 GLU HA 1 51 GLU HG3 . . 4.050 3.349 3.193 3.453 . 0 0 "[ . 1 . ]" 1
641 1 51 GLU HA 1 54 GLN H . . 4.220 3.802 3.494 4.151 . 0 0 "[ . 1 . ]" 1
642 1 51 GLU HA 1 54 GLN QB . . 4.740 3.332 2.927 3.656 . 0 0 "[ . 1 . ]" 1
643 1 51 GLU QG 1 52 LEU H . . 5.030 2.870 2.614 3.196 . 0 0 "[ . 1 . ]" 1
644 1 51 GLU QG 1 52 LEU HA . . 6.480 3.340 3.264 3.529 . 0 0 "[ . 1 . ]" 1
645 1 51 GLU QG 1 52 LEU QB . . 6.860 2.897 2.641 3.238 . 0 0 "[ . 1 . ]" 1
646 1 52 LEU H 1 52 LEU HB2 . . 3.820 3.590 3.491 3.718 . 0 0 "[ . 1 . ]" 1
647 1 52 LEU H 1 52 LEU QB . . 3.620 2.316 2.161 2.506 . 0 0 "[ . 1 . ]" 1
648 1 52 LEU H 1 52 LEU HB3 . . 3.820 2.345 2.182 2.548 . 0 0 "[ . 1 . ]" 1
649 1 52 LEU H 1 52 LEU MD1 . . 2.830 2.379 2.241 2.467 . 0 0 "[ . 1 . ]" 1
650 1 52 LEU H 1 52 LEU HG . . 3.760 3.912 3.762 3.983 0.223 1 0 "[ . 1 . ]" 1
651 1 52 LEU H 1 53 TYR H . . 3.490 2.082 1.809 2.241 . 0 0 "[ . 1 . ]" 1
652 1 52 LEU H 1 53 TYR HA . . 4.940 4.786 4.580 4.933 . 0 0 "[ . 1 . ]" 1
653 1 52 LEU HA 1 54 GLN QG . . 6.880 3.711 3.349 5.021 . 0 0 "[ . 1 . ]" 1
654 1 52 LEU HA 1 55 GLU H . . 5.110 4.144 3.806 4.677 . 0 0 "[ . 1 . ]" 1
655 1 52 LEU QB 1 53 TYR H . . 5.360 3.594 3.458 3.779 . 0 0 "[ . 1 . ]" 1
656 1 52 LEU QB 1 53 TYR HA . . 5.590 4.897 4.849 5.016 . 0 0 "[ . 1 . ]" 1
657 1 52 LEU QD 1 53 TYR H . . 8.600 2.004 1.734 2.330 . 0 0 "[ . 1 . ]" 1
658 1 52 LEU QD 1 53 TYR HA . . 8.600 2.537 2.430 2.759 . 0 0 "[ . 1 . ]" 1
659 1 52 LEU QD 1 57 GLN HA . . 6.160 4.481 4.337 4.644 . 0 0 "[ . 1 . ]" 1
660 1 52 LEU QD 1 57 GLN QG . . 8.030 4.940 4.632 5.180 . 0 0 "[ . 1 . ]" 1
661 1 52 LEU QD 1 59 CYS HB2 . . 8.600 5.146 4.779 5.621 . 0 0 "[ . 1 . ]" 1
662 1 52 LEU QD 1 60 VAL HA . . 8.070 2.423 1.791 2.965 . 0 0 "[ . 1 . ]" 1
663 1 52 LEU QD 1 96 CYS QB . . 8.620 3.329 3.124 3.695 . 0 0 "[ . 1 . ]" 1
664 1 52 LEU HG 1 60 VAL QG . . 6.180 3.725 3.592 3.993 . 0 0 "[ . 1 . ]" 1
665 1 52 LEU HG 1 96 CYS QB . . 4.570 4.135 3.975 4.342 . 0 0 "[ . 1 . ]" 1
666 1 53 TYR H 1 53 TYR HB2 . . 3.860 2.264 2.125 2.653 . 0 0 "[ . 1 . ]" 1
667 1 53 TYR H 1 53 TYR QB . . 3.450 2.182 2.081 2.281 . 0 0 "[ . 1 . ]" 1
668 1 53 TYR H 1 53 TYR HB3 . . 3.860 2.974 2.485 3.164 . 0 0 "[ . 1 . ]" 1
669 1 53 TYR H 1 54 GLN H . . 3.590 2.253 1.988 2.543 . 0 0 "[ . 1 . ]" 1
670 1 53 TYR QB 1 54 GLN H . . 3.970 3.168 2.590 3.608 . 0 0 "[ . 1 . ]" 1
671 1 53 TYR QB 1 54 GLN HA . . 6.290 3.994 3.717 4.197 . 0 0 "[ . 1 . ]" 1
672 1 53 TYR HB2 1 54 GLN H . . 4.350 3.779 3.230 4.197 . 0 0 "[ . 1 . ]" 1
673 1 53 TYR HB3 1 54 GLN H . . 4.350 3.432 2.642 3.960 . 0 0 "[ . 1 . ]" 1
674 1 53 TYR QD 1 60 VAL QG . . 10.730 3.628 1.714 4.036 . 0 0 "[ . 1 . ]" 1
675 1 53 TYR QD 1 99 LYS QB . . 8.060 6.545 5.429 6.809 . 0 0 "[ . 1 . ]" 1
676 1 53 TYR QE 1 98 MET QG . . 8.320 4.423 4.155 5.002 . 0 0 "[ . 1 . ]" 1
677 1 53 TYR QE 1 99 LYS QB . . 9.010 5.890 4.754 6.115 . 0 0 "[ . 1 . ]" 1
678 1 53 TYR QE 1 100 GLN QG . . 8.580 6.947 6.511 7.143 . 0 0 "[ . 1 . ]" 1
679 1 54 GLN H 1 54 GLN HB2 . . 4.020 3.591 3.548 3.642 . 0 0 "[ . 1 . ]" 1
680 1 54 GLN H 1 54 GLN QB . . 3.490 2.629 2.437 2.863 . 0 0 "[ . 1 . ]" 1
681 1 54 GLN H 1 54 GLN HB3 . . 4.020 2.709 2.482 3.011 . 0 0 "[ . 1 . ]" 1
682 1 54 GLN H 1 54 GLN HG2 . . 5.270 2.095 1.957 3.223 . 0 0 "[ . 1 . ]" 1
683 1 54 GLN H 1 54 GLN QG . . 4.950 2.047 1.888 3.108 . 0 0 "[ . 1 . ]" 1
684 1 54 GLN H 1 54 GLN HG3 . . 5.270 2.955 2.353 4.077 . 0 0 "[ . 1 . ]" 1
685 1 54 GLN H 1 55 GLU H . . 4.280 2.469 2.134 2.807 . 0 0 "[ . 1 . ]" 1
686 1 54 GLN QB 1 55 GLU HA . . 4.970 4.342 4.193 4.593 . 0 0 "[ . 1 . ]" 1
687 1 54 GLN QB 1 56 ASP H . . 4.900 4.533 4.483 4.676 . 0 0 "[ . 1 . ]" 1
688 1 54 GLN QG 1 55 GLU H . . 5.560 2.158 1.827 2.538 . 0 0 "[ . 1 . ]" 1
689 1 54 GLN QG 1 56 ASP H . . 4.870 4.288 3.854 4.389 . 0 0 "[ . 1 . ]" 1
690 1 55 GLU H 1 55 GLU HG2 . . 3.860 3.035 2.150 3.818 . 0 0 "[ . 1 . ]" 1
691 1 55 GLU H 1 55 GLU QG . . 3.390 2.461 2.135 3.228 . 0 0 "[ . 1 . ]" 1
692 1 55 GLU H 1 55 GLU HG3 . . 3.860 2.730 2.285 3.634 . 0 0 "[ . 1 . ]" 1
693 1 55 GLU HA 1 56 ASP H . . 3.060 3.104 3.028 3.190 0.130 7 0 "[ . 1 . ]" 1
694 1 55 GLU HA 1 59 CYS HB2 . . 4.910 3.907 3.761 4.280 . 0 0 "[ . 1 . ]" 1
695 1 55 GLU QG 1 56 ASP H . . 4.930 4.400 4.294 4.609 . 0 0 "[ . 1 . ]" 1
696 1 55 GLU QG 1 59 CYS HB2 . . 5.230 3.996 3.696 4.200 . 0 0 "[ . 1 . ]" 1
697 1 56 ASP H 1 56 ASP HB2 . . 3.790 3.210 3.147 3.255 . 0 0 "[ . 1 . ]" 1
698 1 56 ASP H 1 56 ASP QB . . 3.360 3.056 3.007 3.092 . 0 0 "[ . 1 . ]" 1
699 1 56 ASP H 1 56 ASP HB3 . . 3.790 3.836 3.802 3.862 0.072 14 0 "[ . 1 . ]" 1
700 1 56 ASP H 1 57 GLN H . . 5.410 4.573 4.554 4.590 . 0 0 "[ . 1 . ]" 1
701 1 56 ASP H 1 59 CYS HB2 . . 4.120 4.261 4.216 4.317 0.197 15 0 "[ . 1 . ]" 1
702 1 56 ASP HA 1 57 GLN H . . 2.830 2.696 2.652 2.769 . 0 0 "[ . 1 . ]" 1
703 1 56 ASP HA 1 58 VAL H . . 4.940 4.384 4.294 4.721 . 0 0 "[ . 1 . ]" 1
704 1 56 ASP QB 1 57 GLN H . . 3.980 2.622 2.442 2.721 . 0 0 "[ . 1 . ]" 1
705 1 56 ASP QB 1 58 VAL H . . 4.900 2.412 2.317 2.676 . 0 0 "[ . 1 . ]" 1
706 1 56 ASP QB 1 58 VAL MG1 . . 6.650 4.717 4.579 4.799 . 0 0 "[ . 1 . ]" 1
707 1 56 ASP QB 1 58 VAL MG2 . . 5.470 2.520 2.030 2.923 . 0 0 "[ . 1 . ]" 1
708 1 56 ASP QB 1 59 CYS H . . 5.360 3.127 2.986 3.712 . 0 0 "[ . 1 . ]" 1
709 1 56 ASP QB 1 59 CYS HB2 . . 5.790 3.694 3.448 4.995 . 0 0 "[ . 1 . ]" 1
710 1 56 ASP HB2 1 57 GLN H . . 4.280 3.668 3.551 3.714 . 0 0 "[ . 1 . ]" 1
711 1 56 ASP HB3 1 57 GLN H . . 4.280 2.686 2.488 2.798 . 0 0 "[ . 1 . ]" 1
712 1 57 GLN H 1 57 GLN HB2 . . 3.360 2.135 2.069 2.281 . 0 0 "[ . 1 . ]" 1
713 1 57 GLN H 1 57 GLN QB . . 3.110 2.113 2.052 2.212 . 0 0 "[ . 1 . ]" 1
714 1 57 GLN H 1 57 GLN HB3 . . 3.360 3.400 2.978 3.504 0.144 18 0 "[ . 1 . ]" 1
715 1 57 GLN H 1 57 GLN QG . . 4.800 3.634 3.335 3.846 . 0 0 "[ . 1 . ]" 1
716 1 57 GLN H 1 58 VAL H . . 3.690 2.324 2.138 2.696 . 0 0 "[ . 1 . ]" 1
717 1 57 GLN H 1 58 VAL MG1 . . 6.830 5.469 5.293 5.704 . 0 0 "[ . 1 . ]" 1
718 1 57 GLN H 1 59 CYS H . . 5.110 3.920 3.693 4.306 . 0 0 "[ . 1 . ]" 1
719 1 57 GLN H 1 60 VAL QG . . 8.590 4.197 3.638 4.450 . 0 0 "[ . 1 . ]" 1
720 1 57 GLN HA 1 57 GLN QG . . 3.830 2.431 2.010 2.760 . 0 0 "[ . 1 . ]" 1
721 1 57 GLN HA 1 60 VAL H . . 3.590 3.254 2.742 3.824 0.234 7 0 "[ . 1 . ]" 1
722 1 57 GLN HA 1 60 VAL MG1 . . 4.880 3.717 3.185 3.979 . 0 0 "[ . 1 . ]" 1
723 1 57 GLN HA 1 60 VAL QG . . 4.290 2.187 1.971 2.335 . 0 0 "[ . 1 . ]" 1
724 1 57 GLN HA 1 60 VAL MG2 . . 4.880 2.204 1.990 2.359 . 0 0 "[ . 1 . ]" 1
725 1 57 GLN QB 1 58 VAL H . . 3.320 2.935 2.596 3.052 . 0 0 "[ . 1 . ]" 1
726 1 57 GLN QB 1 58 VAL MG1 . . 6.190 4.733 4.541 4.888 . 0 0 "[ . 1 . ]" 1
727 1 57 GLN QB 1 58 VAL MG2 . . 6.460 3.262 3.194 3.347 . 0 0 "[ . 1 . ]" 1
728 1 57 GLN QB 1 59 CYS H . . 5.160 4.412 4.318 4.570 . 0 0 "[ . 1 . ]" 1
729 1 57 GLN HB2 1 58 VAL H . . 3.660 3.156 2.762 3.674 0.014 1 0 "[ . 1 . ]" 1
730 1 57 GLN HB3 1 58 VAL H . . 3.660 3.538 3.155 3.683 0.023 12 0 "[ . 1 . ]" 1
731 1 57 GLN QG 1 58 VAL MG2 . . 7.580 4.955 4.887 5.038 . 0 0 "[ . 1 . ]" 1
732 1 57 GLN QG 1 60 VAL QG . . 8.110 2.913 2.590 3.221 . 0 0 "[ . 1 . ]" 1
733 1 57 GLN QG 1 99 LYS QB . . 5.900 3.321 2.741 3.866 . 0 0 "[ . 1 . ]" 1
734 1 57 GLN QG 1 100 GLN H . . 6.880 2.976 2.488 3.406 . 0 0 "[ . 1 . ]" 1
735 1 57 GLN QG 1 100 GLN QB . . 5.080 4.109 3.920 4.232 . 0 0 "[ . 1 . ]" 1
736 1 57 GLN QG 1 101 ILE MG . . 4.610 3.355 3.137 3.460 . 0 0 "[ . 1 . ]" 1
737 1 58 VAL H 1 58 VAL HB . . 3.000 2.933 2.787 3.025 0.025 1 0 "[ . 1 . ]" 1
738 1 58 VAL H 1 58 VAL MG2 . . 3.860 1.663 1.590 1.810 . 0 0 "[ . 1 . ]" 1
739 1 58 VAL HA 1 59 CYS H . . 3.620 3.331 3.244 3.532 . 0 0 "[ . 1 . ]" 1
740 1 58 VAL HA 1 60 VAL H . . 4.940 3.838 3.542 4.483 . 0 0 "[ . 1 . ]" 1
741 1 58 VAL HB 1 59 CYS H . . 3.950 3.434 2.672 3.709 . 0 0 "[ . 1 . ]" 1
742 1 58 VAL MG1 1 59 CYS HA . . 6.700 4.656 4.407 4.812 . 0 0 "[ . 1 . ]" 1
743 1 58 VAL MG2 1 59 CYS H . . 5.010 3.602 3.345 3.849 . 0 0 "[ . 1 . ]" 1
744 1 58 VAL MG2 1 59 CYS HA . . 7.030 5.444 5.273 5.658 . 0 0 "[ . 1 . ]" 1
745 1 59 CYS H 1 59 CYS HB2 . . 3.260 2.454 2.341 2.596 . 0 0 "[ . 1 . ]" 1
746 1 59 CYS H 1 59 CYS HB3 . . 3.760 3.647 3.578 3.741 . 0 0 "[ . 1 . ]" 1
747 1 59 CYS H 1 60 VAL H . . 3.200 2.272 1.836 3.361 0.161 7 0 "[ . 1 . ]" 1
748 1 59 CYS H 1 60 VAL QG . . 7.040 3.517 3.294 3.811 . 0 0 "[ . 1 . ]" 1
749 1 59 CYS HA 1 62 PRO QD . . 6.480 5.535 5.272 5.938 . 0 0 "[ . 1 . ]" 1
750 1 59 CYS HA 1 63 THR MG . . 7.030 2.233 1.702 3.112 . 0 0 "[ . 1 . ]" 1
751 1 59 CYS HB2 1 63 THR MG . . 6.330 4.172 3.468 4.845 . 0 0 "[ . 1 . ]" 1
752 1 59 CYS HB3 1 63 THR MG . . 5.050 2.972 2.140 3.683 . 0 0 "[ . 1 . ]" 1
753 1 60 VAL H 1 60 VAL HB . . 3.520 2.242 2.069 2.497 . 0 0 "[ . 1 . ]" 1
754 1 60 VAL H 1 60 VAL QG . . 4.200 2.659 2.296 3.070 . 0 0 "[ . 1 . ]" 1
755 1 60 VAL H 1 61 CYS H . . 4.020 2.316 1.695 2.913 . 0 0 "[ . 1 . ]" 1
756 1 60 VAL HB 1 61 CYS H . . 3.290 3.171 2.904 3.353 0.063 19 0 "[ . 1 . ]" 1
757 1 60 VAL HB 1 98 MET HA . . 5.870 5.901 5.638 6.112 0.242 17 0 "[ . 1 . ]" 1
758 1 60 VAL HB 1 99 LYS QB . . 5.790 2.934 2.016 3.608 . 0 0 "[ . 1 . ]" 1
759 1 60 VAL QG 1 61 CYS H . . 5.930 3.191 2.865 3.416 . 0 0 "[ . 1 . ]" 1
760 1 60 VAL QG 1 61 CYS HA . . 7.930 4.061 3.921 4.252 . 0 0 "[ . 1 . ]" 1
761 1 60 VAL QG 1 63 THR MG . . 9.620 5.345 4.839 5.966 . 0 0 "[ . 1 . ]" 1
762 1 60 VAL QG 1 64 LEU HG . . 7.730 4.666 4.174 5.061 . 0 0 "[ . 1 . ]" 1
763 1 60 VAL QG 1 98 MET QB . . 3.410 2.030 1.652 2.165 . 0 0 "[ . 1 . ]" 1
764 1 60 VAL QG 1 98 MET ME . . 4.370 2.392 2.310 2.476 . 0 0 "[ . 1 . ]" 1
765 1 60 VAL QG 1 98 MET QG . . 3.310 1.663 1.576 1.733 . 0 0 "[ . 1 . ]" 1
766 1 60 VAL QG 1 99 LYS HA . . 7.000 3.235 2.922 3.434 . 0 0 "[ . 1 . ]" 1
767 1 60 VAL QG 1 99 LYS QB . . 4.530 1.839 1.662 2.026 . 0 0 "[ . 1 . ]" 1
768 1 60 VAL QG 1 99 LYS QG . . 7.950 3.273 3.009 3.488 . 0 0 "[ . 1 . ]" 1
769 1 60 VAL QG 1 101 ILE H . . 8.590 5.689 5.256 6.128 . 0 0 "[ . 1 . ]" 1
770 1 60 VAL MG1 1 61 CYS H . . 7.030 3.316 2.919 3.633 . 0 0 "[ . 1 . ]" 1
771 1 60 VAL MG1 1 99 LYS HB2 . . 5.840 2.144 1.748 3.330 . 0 0 "[ . 1 . ]" 1
772 1 60 VAL MG1 1 99 LYS HB3 . . 5.840 2.410 1.699 2.840 . 0 0 "[ . 1 . ]" 1
773 1 60 VAL MG2 1 61 CYS H . . 7.030 4.202 4.104 4.313 . 0 0 "[ . 1 . ]" 1
774 1 60 VAL MG2 1 99 LYS HB2 . . 5.840 3.817 2.862 4.916 . 0 0 "[ . 1 . ]" 1
775 1 60 VAL MG2 1 99 LYS HB3 . . 5.840 4.391 3.410 4.855 . 0 0 "[ . 1 . ]" 1
776 1 61 CYS CB 1 104 CYS SG . . 3.100 2.950 2.767 3.187 0.087 6 0 "[ . 1 . ]" 1
777 1 61 CYS H 1 61 CYS HB2 . . 4.020 3.284 3.008 3.926 . 0 0 "[ . 1 . ]" 1
778 1 61 CYS H 1 61 CYS QB . . 3.650 3.003 2.880 3.155 . 0 0 "[ . 1 . ]" 1
779 1 61 CYS H 1 61 CYS HB3 . . 4.020 3.641 3.011 3.946 . 0 0 "[ . 1 . ]" 1
780 1 61 CYS H 1 62 PRO QD . . 4.930 4.412 4.343 4.507 . 0 0 "[ . 1 . ]" 1
781 1 61 CYS HA 1 62 PRO HA . . 4.500 2.252 2.084 2.561 . 0 0 "[ . 1 . ]" 1
782 1 61 CYS HA 1 64 LEU H . . 4.150 2.047 1.831 2.324 . 0 0 "[ . 1 . ]" 1
783 1 61 CYS HA 1 64 LEU HB2 . . 4.480 3.021 2.833 3.176 . 0 0 "[ . 1 . ]" 1
784 1 61 CYS HA 1 64 LEU QB . . 4.060 2.955 2.775 3.115 . 0 0 "[ . 1 . ]" 1
785 1 61 CYS HA 1 64 LEU HB3 . . 4.480 4.198 3.766 4.534 0.054 13 0 "[ . 1 . ]" 1
786 1 61 CYS HA 1 64 LEU QD . . 5.660 4.094 3.855 4.279 . 0 0 "[ . 1 . ]" 1
787 1 61 CYS HA 1 64 LEU HG . . 5.440 5.457 5.285 5.545 0.105 2 0 "[ . 1 . ]" 1
788 1 61 CYS HA 1 65 LYS H . . 5.640 3.248 2.877 3.595 . 0 0 "[ . 1 . ]" 1
789 1 61 CYS HA 1 104 CYS H . . 5.370 5.305 4.701 5.567 0.197 13 0 "[ . 1 . ]" 1
790 1 61 CYS HA 1 104 CYS QB . . 6.190 4.101 3.315 5.213 . 0 0 "[ . 1 . ]" 1
791 1 61 CYS QB 1 62 PRO QD . . 7.750 3.864 3.651 4.502 . 0 0 "[ . 1 . ]" 1
792 1 61 CYS QB 1 99 LYS QB . . 6.890 3.674 3.117 4.282 . 0 0 "[ . 1 . ]" 1
793 1 61 CYS QB 1 104 CYS QB . . 6.260 2.468 1.785 4.345 . 0 0 "[ . 1 . ]" 1
794 1 61 CYS HB2 1 104 CYS HB2 . . 7.220 4.978 4.618 5.516 . 0 0 "[ . 1 . ]" 1
795 1 61 CYS HB2 1 104 CYS HB3 . . 7.220 3.845 3.371 5.068 . 0 0 "[ . 1 . ]" 1
796 1 61 CYS HB3 1 104 CYS HB2 . . 7.220 4.110 3.473 6.264 . 0 0 "[ . 1 . ]" 1
797 1 61 CYS HB3 1 104 CYS HB3 . . 7.220 2.691 1.796 5.503 . 0 0 "[ . 1 . ]" 1
798 1 61 CYS SG 1 104 CYS CB . . 3.100 3.056 2.894 3.183 0.083 19 0 "[ . 1 . ]" 1
799 1 61 CYS SG 1 104 CYS SG . . 2.100 2.009 1.970 2.104 0.004 19 0 "[ . 1 . ]" 1
800 1 62 PRO HA 1 65 LYS H . . 4.190 3.138 2.623 3.465 . 0 0 "[ . 1 . ]" 1
801 1 62 PRO HA 1 65 LYS QB . . 4.570 3.111 2.504 3.783 . 0 0 "[ . 1 . ]" 1
802 1 62 PRO QB 1 63 THR H . . 4.380 3.785 3.701 3.874 . 0 0 "[ . 1 . ]" 1
803 1 62 PRO QG 1 63 THR H . . 5.020 3.742 3.528 3.962 . 0 0 "[ . 1 . ]" 1
804 1 63 THR H 1 63 THR HB . . 3.560 3.170 2.878 3.584 0.024 16 0 "[ . 1 . ]" 1
805 1 63 THR H 1 63 THR MG . . 4.520 3.005 1.805 3.512 . 0 0 "[ . 1 . ]" 1
806 1 63 THR H 1 64 LEU H . . 3.590 3.104 2.914 3.404 . 0 0 "[ . 1 . ]" 1
807 1 63 THR HA 1 63 THR HB . . 3.030 2.831 2.512 2.976 . 0 0 "[ . 1 . ]" 1
808 1 63 THR HA 1 65 LYS H . . 4.050 4.349 4.077 4.606 0.556 11 1 "[ . 1+ . ]" 1
809 1 63 THR HA 1 66 GLN H . . 3.920 3.570 3.231 4.120 0.200 19 0 "[ . 1 . ]" 1
810 1 63 THR HB 1 64 LEU H . . 4.250 2.815 2.453 3.532 . 0 0 "[ . 1 . ]" 1
811 1 63 THR HB 1 64 LEU HA . . 4.250 4.154 3.952 4.361 0.111 18 0 "[ . 1 . ]" 1
812 1 63 THR HB 1 67 ALA MB . . 7.030 5.598 4.947 5.846 . 0 0 "[ . 1 . ]" 1
813 1 64 LEU H 1 64 LEU HB2 . . 3.130 2.039 1.976 2.126 . 0 0 "[ . 1 . ]" 1
814 1 64 LEU H 1 64 LEU HB3 . . 3.130 3.234 3.056 3.355 0.225 13 0 "[ . 1 . ]" 1
815 1 64 LEU H 1 64 LEU HG . . 4.350 3.748 3.499 3.954 . 0 0 "[ . 1 . ]" 1
816 1 64 LEU H 1 65 LYS H . . 3.130 2.779 2.241 3.030 . 0 0 "[ . 1 . ]" 1
817 1 64 LEU HA 1 66 GLN H . . 4.650 3.887 3.398 4.256 . 0 0 "[ . 1 . ]" 1
818 1 64 LEU HA 1 67 ALA H . . 3.720 3.165 2.795 3.459 . 0 0 "[ . 1 . ]" 1
819 1 64 LEU HA 1 67 ALA MB . . 4.720 2.715 2.352 3.076 . 0 0 "[ . 1 . ]" 1
820 1 64 LEU QB 1 65 LYS H . . 3.690 2.701 2.525 2.954 . 0 0 "[ . 1 . ]" 1
821 1 64 LEU QB 1 65 LYS QB . . 7.290 4.222 3.966 4.650 . 0 0 "[ . 1 . ]" 1
822 1 64 LEU QB 1 67 ALA MB . . 6.790 4.170 3.621 4.576 . 0 0 "[ . 1 . ]" 1
823 1 64 LEU QB 1 106 PHE QD . . 8.740 5.977 4.420 6.719 . 0 0 "[ . 1 . ]" 1
824 1 64 LEU HB2 1 65 LYS H . . 3.890 3.238 3.016 3.483 . 0 0 "[ . 1 . ]" 1
825 1 64 LEU HB3 1 65 LYS H . . 3.890 2.923 2.611 3.372 . 0 0 "[ . 1 . ]" 1
826 1 64 LEU QD 1 66 GLN H . . 7.570 5.160 4.797 5.452 . 0 0 "[ . 1 . ]" 1
827 1 64 LEU QD 1 67 ALA MB . . 8.500 2.957 2.379 3.518 . 0 0 "[ . 1 . ]" 1
828 1 64 LEU QD 1 92 LEU H . . 8.560 5.537 5.016 6.010 . 0 0 "[ . 1 . ]" 1
829 1 64 LEU HG 1 67 ALA H . . 5.210 4.907 4.460 5.252 0.042 12 0 "[ . 1 . ]" 1
830 1 64 LEU HG 1 67 ALA MB . . 5.050 3.351 2.787 3.764 . 0 0 "[ . 1 . ]" 1
831 1 65 LYS H 1 65 LYS QB . . 3.690 2.257 2.120 2.688 . 0 0 "[ . 1 . ]" 1
832 1 65 LYS H 1 65 LYS QD . . 6.060 4.324 3.677 4.688 . 0 0 "[ . 1 . ]" 1
833 1 65 LYS H 1 65 LYS QG . . 4.440 3.848 1.870 4.048 . 0 0 "[ . 1 . ]" 1
834 1 65 LYS H 1 66 GLN H . . 3.290 2.963 2.775 3.185 . 0 0 "[ . 1 . ]" 1
835 1 65 LYS HA 1 65 LYS HD2 . . 4.750 4.096 3.715 4.522 . 0 0 "[ . 1 . ]" 1
836 1 65 LYS HA 1 65 LYS QD . . 4.090 3.596 3.458 3.724 . 0 0 "[ . 1 . ]" 1
837 1 65 LYS HA 1 65 LYS HD3 . . 4.750 4.074 3.629 4.444 . 0 0 "[ . 1 . ]" 1
838 1 65 LYS HA 1 65 LYS HG2 . . 3.760 2.842 2.200 3.529 . 0 0 "[ . 1 . ]" 1
839 1 65 LYS HA 1 65 LYS QG . . 3.440 2.301 2.135 2.726 . 0 0 "[ . 1 . ]" 1
840 1 65 LYS HA 1 65 LYS HG3 . . 3.760 2.895 2.162 3.790 0.030 11 0 "[ . 1 . ]" 1
841 1 65 LYS HA 1 68 ALA H . . 4.280 3.542 3.044 4.000 . 0 0 "[ . 1 . ]" 1
842 1 65 LYS HA 1 68 ALA MB . . 4.590 2.262 1.843 2.744 . 0 0 "[ . 1 . ]" 1
843 1 65 LYS HA 1 104 CYS QB . . 6.880 5.892 5.281 6.333 . 0 0 "[ . 1 . ]" 1
844 1 65 LYS QB 1 106 PHE QB . . 7.750 5.785 4.725 6.060 . 0 0 "[ . 1 . ]" 1
845 1 65 LYS QD 1 69 LYS QE . . 6.630 4.269 2.311 5.238 . 0 0 "[ . 1 . ]" 1
846 1 65 LYS QD 1 86 TYR QE . . 9.010 3.770 1.963 5.372 . 0 0 "[ . 1 . ]" 1
847 1 65 LYS QE 1 66 GLN QB . . 7.750 5.613 4.480 6.222 . 0 0 "[ . 1 . ]" 1
848 1 65 LYS QG 1 66 GLN H . . 4.830 4.060 3.668 4.251 . 0 0 "[ . 1 . ]" 1
849 1 65 LYS HG2 1 66 GLN H . . 5.270 4.349 3.940 4.618 . 0 0 "[ . 1 . ]" 1
850 1 65 LYS HG3 1 66 GLN H . . 5.270 4.879 4.371 5.240 . 0 0 "[ . 1 . ]" 1
851 1 66 GLN H 1 66 GLN HB2 . . 3.200 2.266 2.050 3.116 . 0 0 "[ . 1 . ]" 1
852 1 66 GLN H 1 66 GLN HB3 . . 3.200 3.080 2.505 3.522 0.322 18 0 "[ . 1 . ]" 1
853 1 66 GLN H 1 66 GLN QG . . 4.340 3.636 1.794 4.095 . 0 0 "[ . 1 . ]" 1
854 1 66 GLN H 1 67 ALA H . . 3.100 2.873 2.247 3.205 0.105 13 0 "[ . 1 . ]" 1
855 1 66 GLN H 1 68 ALA H . . 4.090 3.787 3.447 4.155 0.065 16 0 "[ . 1 . ]" 1
856 1 66 GLN H 1 68 ALA MB . . 5.610 4.396 4.208 4.572 . 0 0 "[ . 1 . ]" 1
857 1 66 GLN HA 1 66 GLN QG . . 3.480 2.328 1.890 2.976 . 0 0 "[ . 1 . ]" 1
858 1 66 GLN HA 1 69 LYS H . . 3.360 3.209 2.829 3.517 0.157 6 0 "[ . 1 . ]" 1
859 1 66 GLN HA 1 69 LYS QB . . 4.470 2.639 2.019 4.045 . 0 0 "[ . 1 . ]" 1
860 1 66 GLN QB 1 67 ALA H . . 3.960 2.304 2.024 2.805 . 0 0 "[ . 1 . ]" 1
861 1 66 GLN HB2 1 67 ALA H . . 4.150 3.169 2.335 3.693 . 0 0 "[ . 1 . ]" 1
862 1 66 GLN HB3 1 67 ALA H . . 4.150 2.508 2.035 4.065 . 0 0 "[ . 1 . ]" 1
863 1 66 GLN QE 1 67 ALA H . . 6.870 4.755 4.093 5.387 . 0 0 "[ . 1 . ]" 1
864 1 66 GLN QE 1 67 ALA MB . . 7.900 5.557 5.064 5.856 . 0 0 "[ . 1 . ]" 1
865 1 66 GLN QG 1 67 ALA H . . 5.860 3.795 2.857 4.422 . 0 0 "[ . 1 . ]" 1
866 1 66 GLN QG 1 67 ALA HA . . 5.490 4.620 3.211 5.284 . 0 0 "[ . 1 . ]" 1
867 1 67 ALA H 1 68 ALA H . . 3.390 2.787 2.587 3.004 . 0 0 "[ . 1 . ]" 1
868 1 67 ALA H 1 68 ALA MB . . 6.990 4.366 4.048 4.587 . 0 0 "[ . 1 . ]" 1
869 1 67 ALA H 1 69 LYS H . . 4.910 4.270 3.936 4.726 . 0 0 "[ . 1 . ]" 1
870 1 67 ALA HA 1 69 LYS H . . 5.040 4.322 3.661 5.060 0.020 19 0 "[ . 1 . ]" 1
871 1 67 ALA HA 1 70 SER H . . 5.180 3.860 3.146 4.786 . 0 0 "[ . 1 . ]" 1
872 1 67 ALA MB 1 69 LYS H . . 7.030 4.685 4.363 5.126 . 0 0 "[ . 1 . ]" 1
873 1 68 ALA H 1 69 LYS H . . 3.490 2.373 1.817 2.813 . 0 0 "[ . 1 . ]" 1
874 1 68 ALA H 1 69 LYS QD . . 6.650 5.382 4.314 6.268 . 0 0 "[ . 1 . ]" 1
875 1 68 ALA H 1 70 SER H . . 5.010 4.086 3.350 4.856 . 0 0 "[ . 1 . ]" 1
876 1 68 ALA H 1 71 VAL HB . . 4.550 4.600 4.340 4.714 0.164 7 0 "[ . 1 . ]" 1
877 1 68 ALA H 1 85 ILE MG . . 7.030 5.463 5.228 5.709 . 0 0 "[ . 1 . ]" 1
878 1 68 ALA HA 1 69 LYS QD . . 6.880 6.077 5.586 6.292 . 0 0 "[ . 1 . ]" 1
879 1 68 ALA HA 1 71 VAL H . . 4.850 3.579 2.957 4.814 . 0 0 "[ . 1 . ]" 1
880 1 68 ALA HA 1 71 VAL HB . . 3.590 2.213 1.976 2.793 . 0 0 "[ . 1 . ]" 1
881 1 68 ALA HA 1 71 VAL QG . . 6.770 2.619 2.264 3.121 . 0 0 "[ . 1 . ]" 1
882 1 68 ALA HA 1 85 ILE QG . . 6.880 5.823 5.294 5.984 . 0 0 "[ . 1 . ]" 1
883 1 68 ALA HA 1 85 ILE MG . . 4.390 3.483 3.208 3.672 . 0 0 "[ . 1 . ]" 1
884 1 68 ALA MB 1 85 ILE MG . . 5.810 2.934 2.409 3.464 . 0 0 "[ . 1 . ]" 1
885 1 68 ALA MB 1 86 TYR QD . . 7.390 4.087 3.042 4.572 . 0 0 "[ . 1 . ]" 1
886 1 68 ALA MB 1 86 TYR QE . . 7.870 3.674 2.846 4.287 . 0 0 "[ . 1 . ]" 1
887 1 68 ALA MB 1 89 ALA MB . . 5.320 2.834 1.834 3.348 . 0 0 "[ . 1 . ]" 1
888 1 68 ALA MB 1 106 PHE HZ . . 6.470 4.848 3.718 5.373 . 0 0 "[ . 1 . ]" 1
889 1 69 LYS H 1 69 LYS HB2 . . 3.530 2.445 2.098 3.584 0.054 19 0 "[ . 1 . ]" 1
890 1 69 LYS H 1 69 LYS QB . . 3.020 2.205 2.075 2.514 . 0 0 "[ . 1 . ]" 1
891 1 69 LYS H 1 69 LYS HB3 . . 3.530 2.982 2.204 3.589 0.059 6 0 "[ . 1 . ]" 1
892 1 69 LYS H 1 69 LYS QD . . 5.790 3.653 2.676 4.304 . 0 0 "[ . 1 . ]" 1
893 1 69 LYS H 1 69 LYS QG . . 5.070 3.493 2.036 4.061 . 0 0 "[ . 1 . ]" 1
894 1 69 LYS H 1 70 SER H . . 3.260 2.680 2.229 3.163 . 0 0 "[ . 1 . ]" 1
895 1 69 LYS H 1 86 TYR QE . . 8.130 4.883 3.233 6.243 . 0 0 "[ . 1 . ]" 1
896 1 69 LYS HA 1 69 LYS QD . . 5.070 2.637 1.983 4.301 . 0 0 "[ . 1 . ]" 1
897 1 69 LYS HA 1 69 LYS QG . . 3.890 2.569 2.057 3.322 . 0 0 "[ . 1 . ]" 1
898 1 69 LYS HA 1 86 TYR QE . . 8.130 3.319 2.006 4.988 . 0 0 "[ . 1 . ]" 1
899 1 69 LYS QB 1 70 SER H . . 4.570 2.688 1.950 3.700 . 0 0 "[ . 1 . ]" 1
900 1 69 LYS QB 1 86 TYR QE . . 9.010 4.583 2.702 6.315 . 0 0 "[ . 1 . ]" 1
901 1 69 LYS QD 1 86 TYR QE . . 9.010 3.492 1.979 5.613 . 0 0 "[ . 1 . ]" 1
902 1 70 SER H 1 70 SER HB2 . . 3.430 2.621 2.156 3.503 0.073 4 0 "[ . 1 . ]" 1
903 1 70 SER H 1 70 SER HB3 . . 3.430 2.808 2.321 3.484 0.054 19 0 "[ . 1 . ]" 1
904 1 70 SER H 1 71 VAL H . . 4.090 2.748 1.952 3.697 . 0 0 "[ . 1 . ]" 1
905 1 70 SER H 1 71 VAL QG . . 8.550 4.498 4.207 4.833 . 0 0 "[ . 1 . ]" 1
906 1 70 SER HA 1 73 VAL QG . . 6.870 3.621 1.665 5.200 . 0 0 "[ . 1 . ]" 1
907 1 71 VAL H 1 71 VAL HB . . 3.130 2.220 1.989 2.633 . 0 0 "[ . 1 . ]" 1
908 1 71 VAL H 1 72 ARG H . . 3.860 2.473 1.897 2.968 . 0 0 "[ . 1 . ]" 1
909 1 71 VAL HA 1 72 ARG H . . 3.360 3.422 3.265 3.534 0.174 19 0 "[ . 1 . ]" 1
910 1 71 VAL HB 1 72 ARG H . . 3.860 3.714 3.186 3.884 0.024 17 0 "[ . 1 . ]" 1
911 1 71 VAL HB 1 85 ILE QG . . 6.810 4.686 4.227 5.267 . 0 0 "[ . 1 . ]" 1
912 1 71 VAL HB 1 85 ILE MG . . 4.750 3.197 2.723 3.761 . 0 0 "[ . 1 . ]" 1
913 1 71 VAL QG 1 72 ARG H . . 6.130 2.633 1.983 3.359 . 0 0 "[ . 1 . ]" 1
914 1 71 VAL QG 1 85 ILE HA . . 8.590 3.615 3.189 4.337 . 0 0 "[ . 1 . ]" 1
915 1 71 VAL QG 1 85 ILE MG . . 8.230 1.704 1.540 1.954 . 0 0 "[ . 1 . ]" 1
916 1 71 VAL MG1 1 72 ARG H . . 7.030 2.665 1.987 3.489 . 0 0 "[ . 1 . ]" 1
917 1 71 VAL MG2 1 72 ARG H . . 7.030 4.275 4.010 4.443 . 0 0 "[ . 1 . ]" 1
918 1 72 ARG H 1 72 ARG HB2 . . 3.390 2.912 2.353 3.575 0.185 18 0 "[ . 1 . ]" 1
919 1 72 ARG H 1 72 ARG HB3 . . 3.390 3.355 2.925 3.492 0.102 17 0 "[ . 1 . ]" 1
920 1 72 ARG H 1 73 VAL H . . 5.340 2.951 1.836 4.417 . 0 0 "[ . 1 . ]" 1
921 1 72 ARG HA 1 85 ILE QG . . 6.880 4.543 2.346 5.964 . 0 0 "[ . 1 . ]" 1
922 1 72 ARG QB 1 73 VAL H . . 4.370 2.957 1.944 3.945 . 0 0 "[ . 1 . ]" 1
923 1 72 ARG QB 1 73 VAL QG . . 8.680 3.937 2.927 4.881 . 0 0 "[ . 1 . ]" 1
924 1 72 ARG QB 1 77 HIS HD2 . . 6.880 4.817 3.004 6.172 . 0 0 "[ . 1 . ]" 1
925 1 72 ARG HB2 1 73 VAL H . . 4.940 3.490 2.144 4.472 . 0 0 "[ . 1 . ]" 1
926 1 72 ARG HB3 1 73 VAL H . . 4.940 3.350 1.983 4.555 . 0 0 "[ . 1 . ]" 1
927 1 72 ARG QG 1 85 ILE MG . . 6.980 4.206 2.481 5.162 . 0 0 "[ . 1 . ]" 1
928 1 73 VAL H 1 73 VAL HA . . 2.870 2.841 2.694 2.941 0.071 11 0 "[ . 1 . ]" 1
929 1 73 VAL H 1 73 VAL HB . . 3.130 2.687 2.199 3.136 0.006 11 0 "[ . 1 . ]" 1
930 1 73 VAL H 1 85 ILE QG . . 6.880 5.365 3.902 6.097 . 0 0 "[ . 1 . ]" 1
931 1 73 VAL HA 1 74 GLN H . . 3.100 2.238 2.072 2.483 . 0 0 "[ . 1 . ]" 1
932 1 73 VAL QG 1 74 GLN H . . 6.810 2.677 1.919 3.661 . 0 0 "[ . 1 . ]" 1
933 1 73 VAL QG 1 77 HIS HD2 . . 8.590 5.399 3.570 6.440 . 0 0 "[ . 1 . ]" 1
934 1 74 GLN HA 1 75 GLY H . . 3.160 2.517 2.125 3.011 . 0 0 "[ . 1 . ]" 1
935 1 75 GLY H 1 77 HIS QB . . 6.720 5.256 4.006 6.106 . 0 0 "[ . 1 . ]" 1
936 1 75 GLY QA 1 76 GLN H . . 3.140 2.455 2.124 2.900 . 0 0 "[ . 1 . ]" 1
937 1 75 GLY QA 1 76 GLN QG . . 6.360 4.299 3.470 5.155 . 0 0 "[ . 1 . ]" 1
938 1 76 GLN H 1 76 GLN QB . . 3.530 2.731 2.344 3.090 . 0 0 "[ . 1 . ]" 1
939 1 76 GLN H 1 76 GLN QG . . 4.900 3.479 1.976 4.270 . 0 0 "[ . 1 . ]" 1
940 1 76 GLN H 1 77 HIS H . . 4.020 3.207 1.792 4.121 0.101 12 0 "[ . 1 . ]" 1
941 1 76 GLN HA 1 77 HIS H . . 3.060 2.525 2.125 3.137 0.077 5 0 "[ . 1 . ]" 1
942 1 76 GLN QB 1 77 HIS HA . . 6.090 4.430 3.825 5.042 . 0 0 "[ . 1 . ]" 1
943 1 76 GLN QG 1 77 HIS H . . 5.230 4.115 3.231 4.618 . 0 0 "[ . 1 . ]" 1
944 1 77 HIS H 1 77 HIS QB . . 3.840 2.733 2.260 3.529 . 0 0 "[ . 1 . ]" 1
945 1 77 HIS H 1 77 HIS HD2 . . 6.000 4.899 3.350 5.946 . 0 0 "[ . 1 . ]" 1
946 1 77 HIS H 1 78 GLY H . . 3.820 3.275 1.798 4.120 0.300 17 0 "[ . 1 . ]" 1
947 1 77 HIS HA 1 78 GLY H . . 3.360 2.933 2.107 3.454 0.094 3 0 "[ . 1 . ]" 1
948 1 77 HIS QB 1 78 GLY H . . 4.220 2.914 1.896 3.882 . 0 0 "[ . 1 . ]" 1
949 1 77 HIS HB2 1 78 GLY H . . 4.910 3.687 1.916 4.571 . 0 0 "[ . 1 . ]" 1
950 1 77 HIS HB3 1 78 GLY H . . 4.910 3.246 1.909 4.510 . 0 0 "[ . 1 . ]" 1
951 1 77 HIS HD2 1 81 GLN HA . . 4.940 4.557 2.843 5.008 0.068 16 0 "[ . 1 . ]" 1
952 1 77 HIS HD2 1 81 GLN QG . . 6.810 3.136 2.067 5.789 . 0 0 "[ . 1 . ]" 1
953 1 77 HIS HD2 1 82 SER H . . 6.000 4.966 3.683 6.082 0.082 17 0 "[ . 1 . ]" 1
954 1 79 PRO HA 1 80 PHE H . . 3.100 2.336 2.137 2.790 . 0 0 "[ . 1 . ]" 1
955 1 79 PRO QB 1 80 PHE H . . 4.200 3.198 1.911 3.755 . 0 0 "[ . 1 . ]" 1
956 1 79 PRO HD2 1 80 PHE H . . 5.410 5.107 4.885 5.305 . 0 0 "[ . 1 . ]" 1
957 1 80 PHE H 1 80 PHE QB . . 3.570 2.751 2.003 3.010 . 0 0 "[ . 1 . ]" 1
958 1 80 PHE H 1 82 SER QB . . 5.820 4.230 3.275 5.554 . 0 0 "[ . 1 . ]" 1
959 1 80 PHE H 1 83 THR H . . 3.660 3.590 3.105 4.073 0.413 14 0 "[ . 1 . ]" 1
960 1 80 PHE HA 1 83 THR H . . 4.190 4.082 3.588 4.609 0.419 14 0 "[ . 1 . ]" 1
961 1 80 PHE QB 1 81 GLN H . . 4.410 2.449 1.962 3.705 . 0 0 "[ . 1 . ]" 1
962 1 81 GLN H 1 81 GLN QB . . 3.500 2.356 2.086 2.583 . 0 0 "[ . 1 . ]" 1
963 1 81 GLN H 1 81 GLN QG . . 4.670 2.644 1.820 3.950 . 0 0 "[ . 1 . ]" 1
964 1 81 GLN H 1 82 SER H . . 3.920 3.058 2.597 3.716 . 0 0 "[ . 1 . ]" 1
965 1 81 GLN HA 1 84 ARG QB . . 4.240 3.856 3.465 4.185 . 0 0 "[ . 1 . ]" 1
966 1 81 GLN HA 1 85 ILE QG . . 5.990 2.899 2.112 4.068 . 0 0 "[ . 1 . ]" 1
967 1 81 GLN QB 1 82 SER H . . 4.540 2.775 1.974 4.063 . 0 0 "[ . 1 . ]" 1
968 1 81 GLN QB 1 85 ILE QG . . 7.760 2.421 1.879 3.628 . 0 0 "[ . 1 . ]" 1
969 1 81 GLN QG 1 82 SER QB . . 7.590 4.861 2.950 5.922 . 0 0 "[ . 1 . ]" 1
970 1 82 SER H 1 82 SER HB2 . . 3.590 2.755 2.044 3.639 0.049 5 0 "[ . 1 . ]" 1
971 1 82 SER H 1 82 SER HB3 . . 3.590 3.071 2.108 3.894 0.304 3 0 "[ . 1 . ]" 1
972 1 82 SER H 1 83 THR H . . 3.530 2.872 1.877 3.221 . 0 0 "[ . 1 . ]" 1
973 1 82 SER H 1 85 ILE HB . . 3.590 3.699 3.435 3.843 0.253 11 0 "[ . 1 . ]" 1
974 1 82 SER H 1 85 ILE MG . . 7.030 4.590 4.406 5.013 . 0 0 "[ . 1 . ]" 1
975 1 82 SER HA 1 86 TYR QB . . 5.160 4.010 2.822 4.302 . 0 0 "[ . 1 . ]" 1
976 1 82 SER HA 1 86 TYR HD1 . . 3.360 2.383 2.028 3.001 . 0 0 "[ . 1 . ]" 1
977 1 82 SER QB 1 83 THR H . . 4.150 2.671 2.332 3.476 . 0 0 "[ . 1 . ]" 1
978 1 82 SER QB 1 85 ILE QG . . 7.760 4.945 4.597 5.626 . 0 0 "[ . 1 . ]" 1
979 1 82 SER QB 1 86 TYR QD . . 7.800 3.588 2.939 4.739 . 0 0 "[ . 1 . ]" 1
980 1 82 SER QB 1 86 TYR QE . . 9.010 3.582 2.562 5.026 . 0 0 "[ . 1 . ]" 1
981 1 82 SER HB2 1 83 THR H . . 4.420 3.299 2.386 4.095 . 0 0 "[ . 1 . ]" 1
982 1 82 SER HB2 1 86 TYR QD . . 8.140 4.294 3.237 5.707 . 0 0 "[ . 1 . ]" 1
983 1 82 SER HB3 1 83 THR H . . 4.420 3.097 2.444 4.125 . 0 0 "[ . 1 . ]" 1
984 1 82 SER HB3 1 86 TYR QD . . 8.140 4.085 2.995 5.262 . 0 0 "[ . 1 . ]" 1
985 1 83 THR H 1 83 THR HB . . 3.290 2.269 2.093 3.541 0.251 14 0 "[ . 1 . ]" 1
986 1 83 THR H 1 84 ARG H . . 3.390 3.062 2.220 3.456 0.066 4 0 "[ . 1 . ]" 1
987 1 83 THR HA 1 86 TYR QB . . 6.020 3.676 2.678 4.411 . 0 0 "[ . 1 . ]" 1
988 1 83 THR HA 1 86 TYR QD . . 8.140 5.076 4.354 6.107 . 0 0 "[ . 1 . ]" 1
989 1 83 THR HB 1 84 ARG H . . 3.760 3.095 2.507 3.762 0.002 14 0 "[ . 1 . ]" 1
990 1 83 THR HB 1 84 ARG QD . . 6.880 5.276 4.364 6.184 . 0 0 "[ . 1 . ]" 1
991 1 83 THR MG 1 84 ARG H . . 7.030 2.223 1.823 3.821 . 0 0 "[ . 1 . ]" 1
992 1 83 THR MG 1 84 ARG HA . . 6.470 3.249 2.915 5.591 . 0 0 "[ . 1 . ]" 1
993 1 83 THR MG 1 84 ARG QB . . 7.540 2.800 2.463 4.872 . 0 0 "[ . 1 . ]" 1
994 1 83 THR MG 1 84 ARG QD . . 7.910 3.019 2.171 5.356 . 0 0 "[ . 1 . ]" 1
995 1 83 THR MG 1 85 ILE QG . . 7.900 5.666 5.479 5.894 . 0 0 "[ . 1 . ]" 1
996 1 83 THR MG 1 87 GLN HG2 . . 7.030 5.663 5.352 5.826 . 0 0 "[ . 1 . ]" 1
997 1 83 THR MG 1 87 GLN QG . . 6.860 4.805 4.196 5.035 . 0 0 "[ . 1 . ]" 1
998 1 83 THR MG 1 87 GLN HG3 . . 7.030 5.224 4.326 5.572 . 0 0 "[ . 1 . ]" 1
999 1 84 ARG H 1 84 ARG QB . . 3.520 2.201 2.050 2.459 . 0 0 "[ . 1 . ]" 1
1000 1 84 ARG H 1 84 ARG HG2 . . 5.010 4.544 3.309 4.883 . 0 0 "[ . 1 . ]" 1
1001 1 84 ARG H 1 84 ARG QG . . 4.820 3.929 3.213 4.160 . 0 0 "[ . 1 . ]" 1
1002 1 84 ARG H 1 84 ARG HG3 . . 5.010 4.355 4.120 4.637 . 0 0 "[ . 1 . ]" 1
1003 1 84 ARG HA 1 86 TYR H . . 4.480 4.314 3.816 4.791 0.311 14 0 "[ . 1 . ]" 1
1004 1 84 ARG HA 1 87 GLN H . . 4.150 3.103 2.782 3.643 . 0 0 "[ . 1 . ]" 1
1005 1 84 ARG HE 1 88 ILE MD . . 7.030 3.495 1.709 4.948 . 0 0 "[ . 1 . ]" 1
1006 1 84 ARG HE 1 88 ILE QG . . 5.230 4.025 2.928 4.685 . 0 0 "[ . 1 . ]" 1
1007 1 84 ARG QG 1 88 ILE H . . 6.250 4.632 3.853 5.599 . 0 0 "[ . 1 . ]" 1
1008 1 84 ARG QG 1 88 ILE MD . . 6.590 2.330 1.757 3.619 . 0 0 "[ . 1 . ]" 1
1009 1 85 ILE H 1 85 ILE HB . . 2.830 2.334 2.110 2.598 . 0 0 "[ . 1 . ]" 1
1010 1 85 ILE H 1 88 ILE MD . . 7.030 4.135 3.053 5.184 . 0 0 "[ . 1 . ]" 1
1011 1 85 ILE HA 1 88 ILE H . . 5.370 3.844 3.442 4.322 . 0 0 "[ . 1 . ]" 1
1012 1 85 ILE HA 1 88 ILE HB . . 4.090 3.311 2.968 3.539 . 0 0 "[ . 1 . ]" 1
1013 1 85 ILE HA 1 88 ILE MD . . 4.590 3.213 2.033 3.695 . 0 0 "[ . 1 . ]" 1
1014 1 85 ILE HA 1 88 ILE MG . . 5.480 4.457 4.185 4.603 . 0 0 "[ . 1 . ]" 1
1015 1 85 ILE HB 1 86 TYR H . . 3.100 2.664 2.331 2.993 . 0 0 "[ . 1 . ]" 1
1016 1 85 ILE HB 1 86 TYR HD1 . . 4.850 2.881 2.526 3.423 . 0 0 "[ . 1 . ]" 1
1017 1 85 ILE HB 1 86 TYR QD . . 8.140 2.878 2.525 3.418 . 0 0 "[ . 1 . ]" 1
1018 1 85 ILE MG 1 86 TYR H . . 5.440 2.886 2.331 3.738 . 0 0 "[ . 1 . ]" 1
1019 1 85 ILE MG 1 86 TYR HA . . 5.970 3.229 2.936 3.875 . 0 0 "[ . 1 . ]" 1
1020 1 85 ILE MG 1 86 TYR QE . . 9.160 3.236 2.595 4.051 . 0 0 "[ . 1 . ]" 1
1021 1 85 ILE MG 1 89 ALA H . . 6.960 4.210 3.855 4.697 . 0 0 "[ . 1 . ]" 1
1022 1 86 TYR H 1 86 TYR HB2 . . 3.620 2.131 2.001 2.276 . 0 0 "[ . 1 . ]" 1
1023 1 86 TYR H 1 86 TYR QB . . 3.370 2.112 1.987 2.250 . 0 0 "[ . 1 . ]" 1
1024 1 86 TYR H 1 86 TYR HB3 . . 3.620 3.445 3.363 3.530 . 0 0 "[ . 1 . ]" 1
1025 1 86 TYR H 1 87 GLN H . . 3.360 2.598 2.319 2.838 . 0 0 "[ . 1 . ]" 1
1026 1 86 TYR HA 1 89 ALA H . . 3.920 3.037 2.800 3.486 . 0 0 "[ . 1 . ]" 1
1027 1 86 TYR HA 1 89 ALA MB . . 4.980 2.209 1.928 2.686 . 0 0 "[ . 1 . ]" 1
1028 1 86 TYR HA 1 90 LYS H . . 5.080 4.161 3.642 4.583 . 0 0 "[ . 1 . ]" 1
1029 1 86 TYR HA 1 106 PHE QD . . 7.920 5.703 4.402 7.223 . 0 0 "[ . 1 . ]" 1
1030 1 86 TYR HA 1 106 PHE HZ . . 4.580 3.324 2.231 4.356 . 0 0 "[ . 1 . ]" 1
1031 1 86 TYR QB 1 87 GLN H . . 3.990 2.531 2.305 2.922 . 0 0 "[ . 1 . ]" 1
1032 1 86 TYR QB 1 109 ILE HA . . 6.880 5.736 2.298 6.165 . 0 0 "[ . 1 . ]" 1
1033 1 86 TYR QB 1 109 ILE MG . . 7.910 3.224 2.358 4.233 . 0 0 "[ . 1 . ]" 1
1034 1 86 TYR HB2 1 87 GLN H . . 4.380 2.642 2.358 3.079 . 0 0 "[ . 1 . ]" 1
1035 1 86 TYR HB3 1 87 GLN H . . 4.380 3.261 3.014 3.633 . 0 0 "[ . 1 . ]" 1
1036 1 86 TYR QD 1 87 GLN H . . 8.140 4.378 4.159 4.539 . 0 0 "[ . 1 . ]" 1
1037 1 86 TYR QD 1 109 ILE QG . . 7.500 3.903 2.532 5.592 . 0 0 "[ . 1 . ]" 1
1038 1 86 TYR HD2 1 109 ILE HB . . 5.210 5.115 4.677 5.271 0.061 4 0 "[ . 1 . ]" 1
1039 1 86 TYR QE 1 106 PHE QE . . 9.500 4.392 3.094 5.219 . 0 0 "[ . 1 . ]" 1
1040 1 87 GLN H 1 87 GLN HB2 . . 3.290 2.095 2.043 2.183 . 0 0 "[ . 1 . ]" 1
1041 1 87 GLN H 1 87 GLN QB . . 3.100 2.069 2.025 2.162 . 0 0 "[ . 1 . ]" 1
1042 1 87 GLN H 1 87 GLN HB3 . . 3.290 3.241 2.950 3.490 0.200 17 0 "[ . 1 . ]" 1
1043 1 87 GLN H 1 87 GLN HG2 . . 5.010 4.208 3.061 4.615 . 0 0 "[ . 1 . ]" 1
1044 1 87 GLN H 1 87 GLN QG . . 4.780 3.455 2.950 3.790 . 0 0 "[ . 1 . ]" 1
1045 1 87 GLN H 1 87 GLN HG3 . . 5.010 3.803 3.081 4.406 . 0 0 "[ . 1 . ]" 1
1046 1 87 GLN H 1 90 LYS QZ . . 6.000 5.086 4.607 5.549 . 0 0 "[ . 1 . ]" 1
1047 1 87 GLN HA 1 90 LYS H . . 4.520 3.897 3.549 4.213 . 0 0 "[ . 1 . ]" 1
1048 1 87 GLN HA 1 90 LYS QD . . 5.130 3.889 2.010 4.453 . 0 0 "[ . 1 . ]" 1
1049 1 87 GLN QB 1 88 ILE H . . 3.620 3.084 2.751 3.389 . 0 0 "[ . 1 . ]" 1
1050 1 87 GLN HB2 1 88 ILE H . . 3.990 3.598 3.324 4.038 0.048 8 0 "[ . 1 . ]" 1
1051 1 87 GLN HB3 1 88 ILE H . . 3.990 3.393 2.838 3.702 . 0 0 "[ . 1 . ]" 1
1052 1 87 GLN QG 1 90 LYS H . . 6.880 5.532 4.887 6.207 . 0 0 "[ . 1 . ]" 1
1053 1 87 GLN QG 1 90 LYS QG . . 5.280 3.628 3.025 4.061 . 0 0 "[ . 1 . ]" 1
1054 1 87 GLN QG 1 90 LYS QZ . . 4.870 3.007 2.028 3.732 . 0 0 "[ . 1 . ]" 1
1055 1 87 GLN QG 1 109 ILE H . . 6.880 5.137 4.079 6.018 . 0 0 "[ . 1 . ]" 1
1056 1 88 ILE H 1 88 ILE HB . . 3.000 2.415 2.214 2.734 . 0 0 "[ . 1 . ]" 1
1057 1 88 ILE H 1 88 ILE HG12 . . 4.320 4.034 2.826 4.302 . 0 0 "[ . 1 . ]" 1
1058 1 88 ILE H 1 88 ILE HG13 . . 4.320 2.801 2.030 3.070 . 0 0 "[ . 1 . ]" 1
1059 1 88 ILE H 1 89 ALA H . . 3.330 2.103 1.743 2.557 . 0 0 "[ . 1 . ]" 1
1060 1 88 ILE H 1 90 LYS H . . 4.980 3.487 3.247 3.687 . 0 0 "[ . 1 . ]" 1
1061 1 88 ILE H 1 90 LYS QD . . 6.880 5.636 3.570 6.199 . 0 0 "[ . 1 . ]" 1
1062 1 88 ILE H 1 90 LYS QZ . . 5.270 4.384 4.173 4.624 . 0 0 "[ . 1 . ]" 1
1063 1 88 ILE HA 1 88 ILE QG . . 3.840 2.394 2.258 2.606 . 0 0 "[ . 1 . ]" 1
1064 1 88 ILE HA 1 91 ASN H . . 3.660 3.692 3.613 3.756 0.096 4 0 "[ . 1 . ]" 1
1065 1 88 ILE HA 1 91 ASN QB . . 5.760 4.060 3.474 5.031 . 0 0 "[ . 1 . ]" 1
1066 1 88 ILE HB 1 88 ILE MD . . 3.730 2.249 2.142 2.577 . 0 0 "[ . 1 . ]" 1
1067 1 88 ILE HB 1 89 ALA H . . 3.440 2.844 2.416 3.362 . 0 0 "[ . 1 . ]" 1
1068 1 88 ILE MD 1 89 ALA H . . 7.030 4.477 4.080 4.906 . 0 0 "[ . 1 . ]" 1
1069 1 88 ILE MD 1 89 ALA MB . . 8.060 5.170 4.811 5.348 . 0 0 "[ . 1 . ]" 1
1070 1 88 ILE QG 1 89 ALA H . . 6.190 4.190 3.532 4.392 . 0 0 "[ . 1 . ]" 1
1071 1 88 ILE QG 1 90 LYS QZ . . 6.220 4.134 3.469 4.558 . 0 0 "[ . 1 . ]" 1
1072 1 88 ILE MG 1 89 ALA H . . 5.340 3.482 2.909 3.907 . 0 0 "[ . 1 . ]" 1
1073 1 88 ILE MG 1 89 ALA HA . . 5.050 3.627 3.241 4.110 . 0 0 "[ . 1 . ]" 1
1074 1 88 ILE MG 1 89 ALA MB . . 7.360 3.911 3.523 4.368 . 0 0 "[ . 1 . ]" 1
1075 1 89 ALA H 1 90 LYS H . . 3.690 2.626 2.255 2.772 . 0 0 "[ . 1 . ]" 1
1076 1 89 ALA HA 1 91 ASN H . . 4.220 4.014 3.635 4.331 0.111 5 0 "[ . 1 . ]" 1
1077 1 89 ALA HA 1 92 LEU H . . 3.790 3.478 3.060 3.717 . 0 0 "[ . 1 . ]" 1
1078 1 89 ALA HA 1 92 LEU QD . . 5.990 1.856 1.437 2.407 . 0 0 "[ . 1 . ]" 1
1079 1 89 ALA MB 1 90 LYS H . . 4.320 3.374 3.225 3.518 . 0 0 "[ . 1 . ]" 1
1080 1 89 ALA MB 1 92 LEU QD . . 7.180 2.213 1.892 2.832 . 0 0 "[ . 1 . ]" 1
1081 1 90 LYS H 1 90 LYS QB . . 3.840 2.489 2.062 2.778 . 0 0 "[ . 1 . ]" 1
1082 1 90 LYS H 1 90 LYS QG . . 4.700 2.637 1.977 4.026 . 0 0 "[ . 1 . ]" 1
1083 1 90 LYS H 1 90 LYS QZ . . 5.270 3.813 3.557 3.971 . 0 0 "[ . 1 . ]" 1
1084 1 90 LYS H 1 91 ASN H . . 3.430 2.236 1.993 2.453 . 0 0 "[ . 1 . ]" 1
1085 1 90 LYS H 1 92 LEU QD . . 6.750 4.503 4.167 4.814 . 0 0 "[ . 1 . ]" 1
1086 1 90 LYS HA 1 90 LYS QD . . 4.770 3.751 3.585 3.977 . 0 0 "[ . 1 . ]" 1
1087 1 90 LYS HA 1 90 LYS QG . . 3.840 3.261 2.741 3.443 . 0 0 "[ . 1 . ]" 1
1088 1 90 LYS HA 1 90 LYS QZ . . 5.800 5.175 4.841 5.339 . 0 0 "[ . 1 . ]" 1
1089 1 90 LYS HA 1 91 ASN QD . . 6.870 5.660 4.668 6.163 . 0 0 "[ . 1 . ]" 1
1090 1 90 LYS QD 1 91 ASN H . . 4.310 2.700 1.831 3.494 . 0 0 "[ . 1 . ]" 1
1091 1 90 LYS QD 1 91 ASN HA . . 5.100 3.163 2.617 3.999 . 0 0 "[ . 1 . ]" 1
1092 1 90 LYS QD 1 91 ASN QD . . 6.650 2.720 1.903 5.266 . 0 0 "[ . 1 . ]" 1
1093 1 90 LYS QD 1 92 LEU H . . 6.020 4.582 4.099 5.275 . 0 0 "[ . 1 . ]" 1
1094 1 90 LYS HD2 1 91 ASN H . . 4.850 2.929 2.099 3.606 . 0 0 "[ . 1 . ]" 1
1095 1 90 LYS HD3 1 91 ASN H . . 4.850 3.858 1.837 4.686 . 0 0 "[ . 1 . ]" 1
1096 1 90 LYS QG 1 91 ASN H . . 4.500 2.499 1.834 4.006 . 0 0 "[ . 1 . ]" 1
1097 1 90 LYS QG 1 91 ASN QD . . 7.110 3.356 2.028 4.728 . 0 0 "[ . 1 . ]" 1
1098 1 90 LYS QZ 1 91 ASN H . . 3.490 3.326 2.715 3.620 0.130 13 0 "[ . 1 . ]" 1
1099 1 90 LYS QZ 1 91 ASN HA . . 5.140 4.352 3.635 4.771 . 0 0 "[ . 1 . ]" 1
1100 1 90 LYS QZ 1 91 ASN QB . . 6.880 2.857 1.520 3.832 . 0 0 "[ . 1 . ]" 1
1101 1 90 LYS QZ 1 109 ILE MD . . 6.500 4.336 3.346 4.761 . 0 0 "[ . 1 . ]" 1
1102 1 91 ASN H 1 91 ASN HB2 . . 3.460 2.724 2.097 3.631 0.171 15 0 "[ . 1 . ]" 1
1103 1 91 ASN H 1 91 ASN QB . . 3.180 2.414 2.076 2.902 . 0 0 "[ . 1 . ]" 1
1104 1 91 ASN H 1 91 ASN HB3 . . 3.460 3.234 2.811 3.608 0.148 13 0 "[ . 1 . ]" 1
1105 1 91 ASN H 1 91 ASN QD . . 3.930 3.107 2.649 3.665 . 0 0 "[ . 1 . ]" 1
1106 1 91 ASN H 1 92 LEU H . . 3.160 2.622 2.281 2.840 . 0 0 "[ . 1 . ]" 1
1107 1 91 ASN HA 1 91 ASN HD22 . . 5.410 4.410 3.374 5.299 . 0 0 "[ . 1 . ]" 1
1108 1 91 ASN HA 1 94 ASN H . . 4.320 3.189 3.063 3.284 . 0 0 "[ . 1 . ]" 1
1109 1 91 ASN HA 1 94 ASN HD21 . . 5.270 2.309 1.950 4.945 . 0 0 "[ . 1 . ]" 1
1110 1 91 ASN HA 1 94 ASN QD . . 4.830 2.237 1.920 4.279 . 0 0 "[ . 1 . ]" 1
1111 1 91 ASN HA 1 94 ASN HD22 . . 5.270 3.292 2.784 4.685 . 0 0 "[ . 1 . ]" 1
1112 1 91 ASN HA 1 95 VAL QG . . 7.470 3.664 3.172 4.603 . 0 0 "[ . 1 . ]" 1
1113 1 91 ASN QB 1 95 VAL QG . . 8.910 2.736 2.185 3.396 . 0 0 "[ . 1 . ]" 1
1114 1 91 ASN HB2 1 92 LEU H . . 4.980 4.080 3.620 4.397 . 0 0 "[ . 1 . ]" 1
1115 1 91 ASN HB3 1 92 LEU H . . 4.980 4.316 3.941 4.638 . 0 0 "[ . 1 . ]" 1
1116 1 91 ASN QD 1 94 ASN QD . . 7.270 4.126 1.962 5.837 . 0 0 "[ . 1 . ]" 1
1117 1 91 ASN QD 1 95 VAL QG . . 8.830 4.529 3.096 5.281 . 0 0 "[ . 1 . ]" 1
1118 1 92 LEU H 1 92 LEU HB2 . . 3.490 2.070 2.026 2.143 . 0 0 "[ . 1 . ]" 1
1119 1 92 LEU H 1 92 LEU QB . . 3.120 2.052 2.010 2.124 . 0 0 "[ . 1 . ]" 1
1120 1 92 LEU H 1 92 LEU HB3 . . 3.490 3.356 3.264 3.469 . 0 0 "[ . 1 . ]" 1
1121 1 92 LEU H 1 92 LEU HG . . 3.720 3.316 3.013 3.554 . 0 0 "[ . 1 . ]" 1
1122 1 92 LEU H 1 93 PRO QD . . 4.500 2.155 2.015 2.399 . 0 0 "[ . 1 . ]" 1
1123 1 92 LEU H 1 95 VAL QG . . 8.320 4.927 4.531 5.459 . 0 0 "[ . 1 . ]" 1
1124 1 92 LEU HA 1 92 LEU MD1 . . 4.450 3.742 3.699 3.772 . 0 0 "[ . 1 . ]" 1
1125 1 92 LEU HA 1 92 LEU QD . . 4.100 2.054 1.747 2.312 . 0 0 "[ . 1 . ]" 1
1126 1 92 LEU HA 1 92 LEU MD2 . . 4.450 2.065 1.750 2.335 . 0 0 "[ . 1 . ]" 1
1127 1 92 LEU HA 1 92 LEU HG . . 3.330 2.448 2.300 2.652 . 0 0 "[ . 1 . ]" 1
1128 1 92 LEU HA 1 95 VAL H . . 4.250 3.732 3.529 4.111 . 0 0 "[ . 1 . ]" 1
1129 1 92 LEU HA 1 95 VAL QG . . 6.480 4.084 3.825 4.443 . 0 0 "[ . 1 . ]" 1
1130 1 92 LEU HA 1 96 CYS H . . 4.940 4.157 3.569 4.706 . 0 0 "[ . 1 . ]" 1
1131 1 92 LEU QB 1 93 PRO QD . . 7.390 1.933 1.843 2.049 . 0 0 "[ . 1 . ]" 1
1132 1 92 LEU QD 1 95 VAL H . . 8.600 4.821 4.624 5.045 . 0 0 "[ . 1 . ]" 1
1133 1 92 LEU QD 1 95 VAL QG . . 9.190 4.521 4.433 4.672 . 0 0 "[ . 1 . ]" 1
1134 1 92 LEU QD 1 96 CYS H . . 8.600 4.592 4.272 5.041 . 0 0 "[ . 1 . ]" 1
1135 1 92 LEU QD 1 106 PHE HZ . . 8.600 5.232 4.032 5.979 . 0 0 "[ . 1 . ]" 1
1136 1 92 LEU MD1 1 95 VAL MG1 . . 11.200 7.321 7.148 7.485 . 0 0 "[ . 1 . ]" 1
1137 1 92 LEU MD1 1 95 VAL MG2 . . 11.200 6.555 6.300 6.968 . 0 0 "[ . 1 . ]" 1
1138 1 92 LEU MD2 1 95 VAL MG1 . . 11.200 5.355 5.172 5.595 . 0 0 "[ . 1 . ]" 1
1139 1 92 LEU MD2 1 95 VAL MG2 . . 11.200 5.129 4.981 5.465 . 0 0 "[ . 1 . ]" 1
1140 1 93 PRO HA 1 98 MET QG . . 4.030 3.181 2.536 3.760 . 0 0 "[ . 1 . ]" 1
1141 1 93 PRO QB 1 94 ASN QD . . 7.310 5.142 3.305 5.758 . 0 0 "[ . 1 . ]" 1
1142 1 93 PRO QB 1 98 MET HA . . 6.390 5.693 5.367 6.074 . 0 0 "[ . 1 . ]" 1
1143 1 93 PRO QD 1 94 ASN H . . 5.090 2.535 2.167 2.648 . 0 0 "[ . 1 . ]" 1
1144 1 94 ASN H 1 94 ASN HB2 . . 4.020 2.296 2.149 2.424 . 0 0 "[ . 1 . ]" 1
1145 1 94 ASN H 1 94 ASN QB . . 3.550 2.269 2.130 2.390 . 0 0 "[ . 1 . ]" 1
1146 1 94 ASN H 1 94 ASN HB3 . . 4.020 3.553 3.472 3.626 . 0 0 "[ . 1 . ]" 1
1147 1 94 ASN H 1 95 VAL H . . 2.770 2.315 2.133 2.736 . 0 0 "[ . 1 . ]" 1
1148 1 94 ASN H 1 95 VAL QG . . 6.710 3.726 3.482 4.000 . 0 0 "[ . 1 . ]" 1
1149 1 94 ASN H 1 97 ASN QD . . 5.810 4.947 4.333 5.291 . 0 0 "[ . 1 . ]" 1
1150 1 94 ASN HA 1 95 VAL HA . . 4.610 4.614 4.546 4.650 0.040 15 0 "[ . 1 . ]" 1
1151 1 94 ASN QB 1 95 VAL H . . 4.520 2.625 2.412 3.065 . 0 0 "[ . 1 . ]" 1
1152 1 94 ASN QB 1 95 VAL QG . . 5.370 2.520 2.391 2.652 . 0 0 "[ . 1 . ]" 1
1153 1 94 ASN HB2 1 95 VAL H . . 5.180 2.703 2.471 3.214 . 0 0 "[ . 1 . ]" 1
1154 1 94 ASN HB2 1 95 VAL MG1 . . 6.630 5.283 5.134 5.452 . 0 0 "[ . 1 . ]" 1
1155 1 94 ASN HB2 1 95 VAL MG2 . . 6.630 2.675 2.476 2.863 . 0 0 "[ . 1 . ]" 1
1156 1 94 ASN HB3 1 95 VAL H . . 5.180 3.582 3.343 3.918 . 0 0 "[ . 1 . ]" 1
1157 1 94 ASN HB3 1 95 VAL MG1 . . 6.630 5.386 5.163 5.540 . 0 0 "[ . 1 . ]" 1
1158 1 94 ASN HB3 1 95 VAL MG2 . . 6.630 3.162 2.893 3.377 . 0 0 "[ . 1 . ]" 1
1159 1 94 ASN QD 1 95 VAL H . . 5.550 4.654 3.965 4.935 . 0 0 "[ . 1 . ]" 1
1160 1 94 ASN QD 1 95 VAL QG . . 8.070 4.193 3.918 4.839 . 0 0 "[ . 1 . ]" 1
1161 1 94 ASN QD 1 107 ILE HA . . 6.670 5.381 3.924 5.917 . 0 0 "[ . 1 . ]" 1
1162 1 94 ASN HD21 1 95 VAL MG1 . . 9.850 6.937 6.700 7.269 . 0 0 "[ . 1 . ]" 1
1163 1 94 ASN HD21 1 95 VAL MG2 . . 9.850 4.391 4.063 5.263 . 0 0 "[ . 1 . ]" 1
1164 1 94 ASN HD22 1 95 VAL MG1 . . 9.850 8.150 7.979 8.319 . 0 0 "[ . 1 . ]" 1
1165 1 94 ASN HD22 1 95 VAL MG2 . . 9.850 5.659 5.433 6.024 . 0 0 "[ . 1 . ]" 1
1166 1 95 VAL H 1 96 CYS H . . 4.120 2.049 1.811 2.207 . 0 0 "[ . 1 . ]" 1
1167 1 95 VAL HB 1 96 CYS H . . 3.390 3.330 3.139 3.464 0.074 1 0 "[ . 1 . ]" 1
1168 1 95 VAL QG 1 96 CYS H . . 6.110 3.557 3.479 3.610 . 0 0 "[ . 1 . ]" 1
1169 1 95 VAL QG 1 96 CYS HA . . 8.290 4.126 3.979 4.235 . 0 0 "[ . 1 . ]" 1
1170 1 95 VAL QG 1 97 ASN QD . . 6.480 4.394 4.339 4.447 . 0 0 "[ . 1 . ]" 1
1171 1 95 VAL MG1 1 96 CYS H . . 6.430 4.098 3.996 4.172 . 0 0 "[ . 1 . ]" 1
1172 1 95 VAL MG2 1 96 CYS H . . 6.430 3.907 3.774 4.018 . 0 0 "[ . 1 . ]" 1
1173 1 96 CYS H 1 96 CYS HB2 . . 3.950 2.617 2.483 3.039 . 0 0 "[ . 1 . ]" 1
1174 1 96 CYS H 1 96 CYS QB . . 3.550 2.530 2.431 2.732 . 0 0 "[ . 1 . ]" 1
1175 1 96 CYS H 1 96 CYS HB3 . . 3.950 3.498 2.863 3.836 . 0 0 "[ . 1 . ]" 1
1176 1 96 CYS H 1 97 ASN H . . 3.530 2.636 2.529 2.777 . 0 0 "[ . 1 . ]" 1
1177 1 96 CYS H 1 97 ASN QB . . 5.330 4.828 4.705 4.905 . 0 0 "[ . 1 . ]" 1
1178 1 96 CYS H 1 98 MET ME . . 5.970 4.835 4.320 5.016 . 0 0 "[ . 1 . ]" 1
1179 1 96 CYS HA 1 97 ASN QB . . 4.970 4.353 4.279 4.439 . 0 0 "[ . 1 . ]" 1
1180 1 97 ASN H 1 97 ASN HA . . 2.830 2.627 2.553 2.668 . 0 0 "[ . 1 . ]" 1
1181 1 97 ASN HA 1 98 MET H . . 3.530 2.134 2.075 2.208 . 0 0 "[ . 1 . ]" 1
1182 1 98 MET H 1 98 MET QB . . 3.700 3.114 2.979 3.265 . 0 0 "[ . 1 . ]" 1
1183 1 98 MET H 1 98 MET ME . . 7.030 3.992 1.731 4.480 . 0 0 "[ . 1 . ]" 1
1184 1 98 MET H 1 98 MET HG2 . . 4.350 2.199 2.003 3.493 . 0 0 "[ . 1 . ]" 1
1185 1 98 MET H 1 98 MET QG . . 4.160 2.180 1.994 3.349 . 0 0 "[ . 1 . ]" 1
1186 1 98 MET H 1 98 MET HG3 . . 4.350 3.735 3.581 4.299 . 0 0 "[ . 1 . ]" 1
1187 1 98 MET HA 1 99 LYS H . . 3.000 3.016 2.812 3.164 0.164 1 0 "[ . 1 . ]" 1
1188 1 98 MET HA 1 99 LYS QB . . 5.660 4.647 4.521 4.823 . 0 0 "[ . 1 . ]" 1
1189 1 98 MET QG 1 99 LYS QB . . 6.160 3.167 2.662 3.599 . 0 0 "[ . 1 . ]" 1
1190 1 98 MET QG 1 99 LYS HB3 . . 4.270 3.427 2.724 3.915 . 0 0 "[ . 1 . ]" 1
1191 1 98 MET HG2 1 99 LYS HB2 . . 7.750 4.262 3.573 5.734 . 0 0 "[ . 1 . ]" 1
1192 1 98 MET HG2 1 99 LYS HB3 . . 7.750 3.632 3.063 4.161 . 0 0 "[ . 1 . ]" 1
1193 1 98 MET HG3 1 99 LYS HB2 . . 7.750 4.535 3.999 5.906 . 0 0 "[ . 1 . ]" 1
1194 1 98 MET HG3 1 99 LYS HB3 . . 7.750 4.360 3.052 5.264 . 0 0 "[ . 1 . ]" 1
1195 1 99 LYS H 1 99 LYS QB . . 3.530 2.775 2.385 3.281 . 0 0 "[ . 1 . ]" 1
1196 1 99 LYS H 1 99 LYS QG . . 4.600 3.917 2.739 4.200 . 0 0 "[ . 1 . ]" 1
1197 1 99 LYS H 1 100 GLN H . . 3.530 3.387 2.318 3.816 0.286 9 0 "[ . 1 . ]" 1
1198 1 99 LYS HA 1 99 LYS QG . . 3.780 2.775 2.265 3.516 . 0 0 "[ . 1 . ]" 1
1199 1 99 LYS QB 1 100 GLN H . . 5.760 4.012 3.945 4.063 . 0 0 "[ . 1 . ]" 1
1200 1 99 LYS QB 1 104 CYS H . . 6.880 4.494 3.647 5.299 . 0 0 "[ . 1 . ]" 1
1201 1 99 LYS QG 1 100 GLN H . . 6.880 3.701 3.393 4.370 . 0 0 "[ . 1 . ]" 1
1202 1 99 LYS QG 1 101 ILE H . . 5.760 2.975 1.948 4.875 . 0 0 "[ . 1 . ]" 1
1203 1 99 LYS QG 1 101 ILE MG . . 5.560 2.462 1.610 3.918 . 0 0 "[ . 1 . ]" 1
1204 1 99 LYS QG 1 102 GLY H . . 5.530 2.303 1.807 3.287 . 0 0 "[ . 1 . ]" 1
1205 1 99 LYS QG 1 103 THR HA . . 5.430 4.475 2.545 4.927 . 0 0 "[ . 1 . ]" 1
1206 1 100 GLN H 1 100 GLN HB2 . . 3.260 2.357 2.205 2.688 . 0 0 "[ . 1 . ]" 1
1207 1 100 GLN H 1 100 GLN HB3 . . 3.260 2.865 2.548 2.977 . 0 0 "[ . 1 . ]" 1
1208 1 100 GLN H 1 100 GLN HG2 . . 5.600 4.258 4.102 4.453 . 0 0 "[ . 1 . ]" 1
1209 1 100 GLN H 1 100 GLN QG . . 4.880 3.903 3.794 4.072 . 0 0 "[ . 1 . ]" 1
1210 1 100 GLN H 1 100 GLN HG3 . . 5.600 4.539 4.327 4.714 . 0 0 "[ . 1 . ]" 1
1211 1 100 GLN H 1 101 ILE H . . 3.330 2.833 2.217 3.309 . 0 0 "[ . 1 . ]" 1
1212 1 100 GLN H 1 102 GLY H . . 5.240 4.928 4.383 5.241 0.001 4 0 "[ . 1 . ]" 1
1213 1 101 ILE H 1 101 ILE HB . . 3.490 3.055 2.361 3.610 0.120 15 0 "[ . 1 . ]" 1
1214 1 101 ILE H 1 101 ILE HG12 . . 5.640 4.547 4.016 5.033 . 0 0 "[ . 1 . ]" 1
1215 1 101 ILE H 1 101 ILE QG . . 4.790 3.935 3.707 4.116 . 0 0 "[ . 1 . ]" 1
1216 1 101 ILE H 1 101 ILE HG13 . . 5.640 4.352 4.047 4.495 . 0 0 "[ . 1 . ]" 1
1217 1 101 ILE H 1 102 GLY H . . 3.260 2.813 2.137 3.399 0.139 9 0 "[ . 1 . ]" 1
1218 1 101 ILE HB 1 102 GLY H . . 3.950 3.791 3.570 3.981 0.031 5 0 "[ . 1 . ]" 1
1219 1 101 ILE QG 1 102 GLY H . . 4.640 2.649 2.048 3.549 . 0 0 "[ . 1 . ]" 1
1220 1 101 ILE MG 1 102 GLY H . . 6.040 1.739 1.433 2.035 . 0 0 "[ . 1 . ]" 1
1221 1 101 ILE MG 1 102 GLY QA . . 7.910 3.629 3.283 3.922 . 0 0 "[ . 1 . ]" 1
1222 1 102 GLY H 1 105 PRO QD . . 6.090 5.186 5.001 5.444 . 0 0 "[ . 1 . ]" 1
1223 1 102 GLY QA 1 103 THR H . . 3.180 2.363 2.160 2.667 . 0 0 "[ . 1 . ]" 1
1224 1 102 GLY QA 1 105 PRO QB . . 5.970 3.351 2.780 4.612 . 0 0 "[ . 1 . ]" 1
1225 1 102 GLY QA 1 105 PRO QD . . 4.580 3.228 3.059 3.432 . 0 0 "[ . 1 . ]" 1
1226 1 102 GLY HA2 1 103 THR H . . 3.490 2.403 2.184 2.753 . 0 0 "[ . 1 . ]" 1
1227 1 102 GLY HA3 1 103 THR H . . 3.490 3.524 3.436 3.588 0.098 2 0 "[ . 1 . ]" 1
1228 1 103 THR H 1 103 THR HB . . 3.030 2.876 2.387 3.288 0.258 4 0 "[ . 1 . ]" 1
1229 1 103 THR H 1 105 PRO QD . . 4.440 3.429 2.974 3.762 . 0 0 "[ . 1 . ]" 1
1230 1 103 THR HA 1 104 CYS QB . . 5.790 4.814 4.563 4.950 . 0 0 "[ . 1 . ]" 1
1231 1 103 THR HA 1 105 PRO QD . . 5.460 3.666 3.319 4.112 . 0 0 "[ . 1 . ]" 1
1232 1 103 THR HB 1 104 CYS H . . 4.090 2.872 1.935 4.192 0.102 9 0 "[ . 1 . ]" 1
1233 1 103 THR HB 1 104 CYS QB . . 6.880 4.144 3.441 5.470 . 0 0 "[ . 1 . ]" 1
1234 1 103 THR MG 1 104 CYS H . . 4.980 3.214 1.723 4.092 . 0 0 "[ . 1 . ]" 1
1235 1 104 CYS H 1 104 CYS HB2 . . 3.990 3.763 3.288 3.945 . 0 0 "[ . 1 . ]" 1
1236 1 104 CYS H 1 104 CYS QB . . 3.640 2.857 2.455 3.126 . 0 0 "[ . 1 . ]" 1
1237 1 104 CYS H 1 104 CYS HB3 . . 3.990 2.981 2.498 3.552 . 0 0 "[ . 1 . ]" 1
1238 1 104 CYS HA 1 105 PRO HD2 . . 3.390 2.425 2.303 2.554 . 0 0 "[ . 1 . ]" 1
1239 1 104 CYS HA 1 105 PRO QD . . 3.180 2.251 2.146 2.377 . 0 0 "[ . 1 . ]" 1
1240 1 104 CYS HA 1 105 PRO HD3 . . 3.390 2.672 2.458 2.830 . 0 0 "[ . 1 . ]" 1
1241 1 104 CYS QB 1 105 PRO QD . . 7.750 3.750 3.669 3.834 . 0 0 "[ . 1 . ]" 1
1242 1 104 CYS QB 1 106 PHE QD . . 9.000 3.360 1.944 6.633 . 0 0 "[ . 1 . ]" 1
1243 1 105 PRO HA 1 106 PHE QD . . 7.330 4.610 4.011 5.796 . 0 0 "[ . 1 . ]" 1
1244 1 106 PHE HA 1 107 ILE H . . 3.030 2.517 2.114 3.289 0.259 3 0 "[ . 1 . ]" 1
1245 1 106 PHE QB 1 107 ILE H . . 4.540 3.243 2.605 3.970 . 0 0 "[ . 1 . ]" 1
1246 1 106 PHE QB 1 107 ILE HA . . 6.150 4.640 4.408 4.876 . 0 0 "[ . 1 . ]" 1
1247 1 106 PHE QD 1 107 ILE H . . 8.120 3.165 2.223 4.141 . 0 0 "[ . 1 . ]" 1
1248 1 106 PHE QD 1 107 ILE QG . . 9.000 4.750 4.264 5.266 . 0 0 "[ . 1 . ]" 1
1249 1 106 PHE QD 1 109 ILE MD . . 9.150 3.138 1.547 5.606 . 0 0 "[ . 1 . ]" 1
1250 1 106 PHE QD 1 109 ILE MG . . 8.560 3.353 1.768 5.916 . 0 0 "[ . 1 . ]" 1
1251 1 106 PHE QE 1 109 ILE MG . . 8.650 3.732 1.901 5.222 . 0 0 "[ . 1 . ]" 1
1252 1 106 PHE HZ 1 107 ILE MG . . 5.840 4.871 4.715 5.121 . 0 0 "[ . 1 . ]" 1
1253 1 106 PHE HZ 1 109 ILE MD . . 6.200 4.150 3.169 4.978 . 0 0 "[ . 1 . ]" 1
1254 1 106 PHE HZ 1 109 ILE QG . . 6.580 5.365 4.141 6.003 . 0 0 "[ . 1 . ]" 1
1255 1 107 ILE H 1 107 ILE HB . . 4.050 3.660 2.218 3.976 . 0 0 "[ . 1 . ]" 1
1256 1 107 ILE H 1 107 ILE HG12 . . 5.040 3.358 1.995 4.668 . 0 0 "[ . 1 . ]" 1
1257 1 107 ILE H 1 107 ILE QG . . 4.780 2.622 1.884 4.001 . 0 0 "[ . 1 . ]" 1
1258 1 107 ILE H 1 107 ILE HG13 . . 5.040 2.808 2.088 4.355 . 0 0 "[ . 1 . ]" 1
1259 1 107 ILE HB 1 108 ALA H . . 3.360 3.310 3.065 3.620 0.260 14 0 "[ . 1 . ]" 1
1260 1 107 ILE MG 1 108 ALA H . . 5.440 3.830 2.078 4.267 . 0 0 "[ . 1 . ]" 1
1261 1 108 ALA H 1 109 ILE H . . 4.680 3.168 1.899 4.079 . 0 0 "[ . 1 . ]" 1
1262 1 108 ALA H 1 109 ILE QG . . 6.880 4.420 2.655 5.755 . 0 0 "[ . 1 . ]" 1
1263 1 108 ALA HA 1 109 ILE H . . 3.330 2.789 2.211 3.489 0.159 16 0 "[ . 1 . ]" 1
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