NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437133 |
2k27   |
15693 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k27
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 773
_Distance_constraint_stats_list.Viol_count 2001
_Distance_constraint_stats_list.Viol_total 4051.578
_Distance_constraint_stats_list.Viol_max 0.851
_Distance_constraint_stats_list.Viol_rms 0.0493
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0131
_Distance_constraint_stats_list.Viol_average_violations_only 0.1012
_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 7 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 1.226 0.331 4 0 "[ . 1 . 2]"
1 14 ASN 0.132 0.051 8 0 "[ . 1 . 2]"
1 15 GLN 4.096 0.421 1 0 "[ . 1 . 2]"
1 16 LEU 3.990 0.313 14 0 "[ . 1 . 2]"
1 17 GLY 0.449 0.313 14 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.981 0.266 12 0 "[ . 1 . 2]"
1 20 PHE 1.300 0.266 12 0 "[ . 1 . 2]"
1 21 VAL 2.082 0.429 9 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 5.644 0.851 7 4 "[ * . + *- . 2]"
1 25 PRO 0.383 0.104 17 0 "[ . 1 . 2]"
1 26 LEU 1.186 0.183 10 0 "[ . 1 . 2]"
1 27 PRO 0.948 0.308 1 0 "[ . 1 . 2]"
1 28 GLU 3.058 0.308 1 0 "[ . 1 . 2]"
1 29 VAL 0.541 0.352 20 0 "[ . 1 . 2]"
1 30 VAL 2.561 0.352 20 0 "[ . 1 . 2]"
1 31 ARG 1.067 0.251 5 0 "[ . 1 . 2]"
1 32 GLN 2.123 0.437 13 0 "[ . 1 . 2]"
1 33 ARG 3.341 0.437 13 0 "[ . 1 . 2]"
1 34 ILE 2.819 0.241 19 0 "[ . 1 . 2]"
1 35 VAL 4.473 0.241 19 0 "[ . 1 . 2]"
1 36 ASP 2.759 0.207 3 0 "[ . 1 . 2]"
1 37 LEU 5.014 0.232 12 0 "[ . 1 . 2]"
1 38 ALA 1.115 0.113 7 0 "[ . 1 . 2]"
1 39 HIS 0.855 0.197 17 0 "[ . 1 . 2]"
1 40 GLN 4.026 0.232 12 0 "[ . 1 . 2]"
1 41 GLY 1.104 0.102 1 0 "[ . 1 . 2]"
1 42 VAL 0.875 0.113 7 0 "[ . 1 . 2]"
1 43 ARG 2.100 0.195 5 0 "[ . 1 . 2]"
1 45 CYS 3.703 0.160 18 0 "[ . 1 . 2]"
1 46 ASP 2.708 0.317 1 0 "[ . 1 . 2]"
1 47 ILE 2.348 0.317 1 0 "[ . 1 . 2]"
1 48 SER 1.006 0.209 16 0 "[ . 1 . 2]"
1 49 ARG 1.818 0.209 16 0 "[ . 1 . 2]"
1 50 GLN 3.689 0.213 16 0 "[ . 1 . 2]"
1 51 LEU 2.609 0.204 3 0 "[ . 1 . 2]"
1 52 ARG 4.057 0.269 1 0 "[ . 1 . 2]"
1 53 VAL 6.033 0.554 16 1 "[ . 1 .+ 2]"
1 54 SER 5.366 0.554 16 1 "[ . 1 .+ 2]"
1 55 HIS 0.099 0.072 18 0 "[ . 1 . 2]"
1 57 CYS 4.844 0.526 12 1 "[ . 1 + . 2]"
1 58 VAL 2.424 0.192 1 0 "[ . 1 . 2]"
1 59 SER 0.941 0.280 6 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 1.250 0.212 15 0 "[ . 1 . 2]"
1 62 LEU 2.574 0.423 8 0 "[ . 1 . 2]"
1 63 GLY 2.789 0.423 8 0 "[ . 1 . 2]"
1 64 ARG 2.592 0.292 20 0 "[ . 1 . 2]"
1 65 TYR 2.839 0.377 7 0 "[ . 1 . 2]"
1 66 TYR 2.520 0.377 7 0 "[ . 1 . 2]"
1 67 GLU 1.548 0.383 1 0 "[ . 1 . 2]"
1 68 THR 4.327 0.455 16 0 "[ . 1 . 2]"
1 69 GLY 4.048 0.455 16 0 "[ . 1 . 2]"
1 70 SER 4.700 0.383 14 0 "[ . 1 . 2]"
1 71 ILE 3.267 0.383 14 0 "[ . 1 . 2]"
1 72 ARG 0.589 0.140 15 0 "[ . 1 . 2]"
1 73 PRO 1.466 0.171 13 0 "[ . 1 . 2]"
1 74 GLY 2.807 0.227 19 0 "[ . 1 . 2]"
1 75 VAL 3.761 0.376 13 0 "[ . 1 . 2]"
1 76 ILE 4.880 0.421 5 0 "[ . 1 . 2]"
1 77 GLY 1.267 0.218 10 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 1.184 0.317 15 0 "[ . 1 . 2]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LYS 1.850 0.342 2 0 "[ . 1 . 2]"
1 83 VAL 4.806 0.342 2 0 "[ . 1 . 2]"
1 84 ALA 2.054 0.205 18 0 "[ . 1 . 2]"
1 85 THR 0.146 0.060 9 0 "[ . 1 . 2]"
1 87 LYS 2.371 0.177 10 0 "[ . 1 . 2]"
1 88 VAL 0.697 0.104 1 0 "[ . 1 . 2]"
1 89 VAL 0.671 0.159 8 0 "[ . 1 . 2]"
1 90 GLU 2.063 0.539 14 1 "[ . 1 +. 2]"
1 91 LYS 0.319 0.164 14 0 "[ . 1 . 2]"
1 92 ILE 0.584 0.197 6 0 "[ . 1 . 2]"
1 93 GLY 0.013 0.013 12 0 "[ . 1 . 2]"
1 94 ASP 2.813 0.113 12 0 "[ . 1 . 2]"
1 95 TYR 1.824 0.164 14 0 "[ . 1 . 2]"
1 96 LYS 1.544 0.568 19 1 "[ . 1 . +2]"
1 97 ARG 3.063 0.424 18 0 "[ . 1 . 2]"
1 98 GLN 2.911 0.243 17 0 "[ . 1 . 2]"
1 99 ASN 4.039 0.343 5 0 "[ . 1 . 2]"
1 100 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 3.891 0.437 10 0 "[ . 1 . 2]"
1 102 MET 6.661 0.412 17 0 "[ . 1 . 2]"
1 103 PHE 3.647 0.245 14 0 "[ . 1 . 2]"
1 104 ALA 1.359 0.207 11 0 "[ . 1 . 2]"
1 105 TRP 2.902 0.249 13 0 "[ . 1 . 2]"
1 106 GLU 0.210 0.085 4 0 "[ . 1 . 2]"
1 107 ILE 0.451 0.082 9 0 "[ . 1 . 2]"
1 108 ARG 0.009 0.009 11 0 "[ . 1 . 2]"
1 109 ASP 2.768 0.150 9 0 "[ . 1 . 2]"
1 110 ARG 0.369 0.229 5 0 "[ . 1 . 2]"
1 111 LEU 3.858 0.573 18 1 "[ . 1 . + 2]"
1 112 LEU 3.535 0.416 14 0 "[ . 1 . 2]"
1 113 ALA 0.015 0.015 14 0 "[ . 1 . 2]"
1 114 GLU 0.433 0.048 13 0 "[ . 1 . 2]"
1 115 GLY 0.379 0.048 13 0 "[ . 1 . 2]"
1 116 VAL 1.339 0.148 18 0 "[ . 1 . 2]"
1 117 CYS 2.237 0.195 16 0 "[ . 1 . 2]"
1 118 ASP 1.067 0.810 2 1 "[ + . 1 . 2]"
1 119 ASN 0.465 0.331 6 0 "[ . 1 . 2]"
1 120 ASP 4.609 0.457 16 0 "[ . 1 . 2]"
1 121 THR 6.390 0.810 2 1 "[ + . 1 . 2]"
1 122 VAL 1.342 0.195 16 0 "[ . 1 . 2]"
1 123 PRO 0.587 0.118 15 0 "[ . 1 . 2]"
1 124 SER 2.222 0.336 16 0 "[ . 1 . 2]"
1 125 VAL 1.495 0.160 12 0 "[ . 1 . 2]"
1 126 SER 0.341 0.160 12 0 "[ . 1 . 2]"
1 127 SER 7.072 0.629 20 6 "[ . *1- ** *+]"
1 128 ILE 9.727 0.629 20 6 "[ . *1- ** *+]"
1 129 ASN 4.384 0.395 5 0 "[ . 1 . 2]"
1 130 ARG 4.348 0.330 8 0 "[ . 1 . 2]"
1 131 ILE 4.597 0.472 16 0 "[ . 1 . 2]"
1 132 ILE 0.284 0.265 15 0 "[ . 1 . 2]"
1 133 ARG 2.432 0.265 15 0 "[ . 1 . 2]"
1 134 THR 1.623 0.192 1 0 "[ . 1 . 2]"
1 135 LYS 4.235 0.403 11 0 "[ . 1 . 2]"
1 136 VAL 3.879 0.319 7 0 "[ . 1 . 2]"
1 137 GLN 5.608 0.319 7 0 "[ . 1 . 2]"
1 138 GLN 0.369 0.258 10 0 "[ . 1 . 2]"
1 139 PRO 1.021 0.273 3 0 "[ . 1 . 2]"
1 140 PHE 1.444 0.273 3 0 "[ . 1 . 2]"
1 141 ASN 0.203 0.057 7 0 "[ . 1 . 2]"
1 142 LEU 0.267 0.064 20 0 "[ . 1 . 2]"
1 143 PRO 0.042 0.042 18 0 "[ . 1 . 2]"
1 144 MET 0.042 0.042 18 0 "[ . 1 . 2]"
1 145 ASP 0.726 0.222 14 0 "[ . 1 . 2]"
1 146 SER 0.450 0.105 17 0 "[ . 1 . 2]"
1 147 GLY 0.450 0.105 17 0 "[ . 1 . 2]"
1 148 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 PRO 4.154 0.305 10 0 "[ . 1 . 2]"
1 150 GLY 4.154 0.305 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ARG HA 1 7 ARG QG . . 3.880 2.611 2.371 3.236 . 0 0 "[ . 1 . 2]" 1
2 1 12 GLY QA 1 13 LEU H . . 3.780 2.329 2.164 2.819 . 0 0 "[ . 1 . 2]" 1
3 1 13 LEU H 1 13 LEU QB . 2.190 3.880 2.556 2.168 3.331 0.022 9 0 "[ . 1 . 2]" 1
4 1 13 LEU H 1 13 LEU QD . 2.450 5.780 3.116 2.119 3.949 0.331 4 0 "[ . 1 . 2]" 1
5 1 13 LEU HA 1 13 LEU QD . . 8.100 2.462 2.098 3.397 . 0 0 "[ . 1 . 2]" 1
6 1 14 ASN H 1 14 ASN HB2 . 2.210 6.000 3.255 2.413 3.983 . 0 0 "[ . 1 . 2]" 1
7 1 14 ASN H 1 14 ASN HB3 . 2.210 3.330 2.767 2.379 3.381 0.051 8 0 "[ . 1 . 2]" 1
8 1 14 ASN H 1 14 ASN QD . . 5.210 3.949 1.849 4.652 . 0 0 "[ . 1 . 2]" 1
9 1 15 GLN H 1 15 GLN HB2 . 2.370 4.100 3.142 2.422 4.020 . 0 0 "[ . 1 . 2]" 1
10 1 15 GLN H 1 15 GLN HB3 . 2.370 4.100 3.571 2.513 3.873 . 0 0 "[ . 1 . 2]" 1
11 1 15 GLN H 1 15 GLN QG . 2.560 4.710 2.854 2.139 3.974 0.421 1 0 "[ . 1 . 2]" 1
12 1 15 GLN HA 1 15 GLN HB2 . . 2.930 2.775 2.427 3.034 0.104 12 0 "[ . 1 . 2]" 1
13 1 15 GLN HA 1 15 GLN HB3 . . 2.930 2.492 2.429 3.023 0.093 11 0 "[ . 1 . 2]" 1
14 1 15 GLN HB2 1 16 LEU H . 2.550 4.020 2.845 2.281 4.048 0.269 16 0 "[ . 1 . 2]" 1
15 1 15 GLN HB3 1 16 LEU H . 2.550 4.020 3.428 2.490 3.952 0.060 11 0 "[ . 1 . 2]" 1
16 1 15 GLN QB 1 16 LEU H . 2.320 4.360 2.508 2.234 2.927 0.086 16 0 "[ . 1 . 2]" 1
17 1 15 GLN QG 1 16 LEU H . 2.850 5.160 3.845 3.488 4.170 . 0 0 "[ . 1 . 2]" 1
18 1 16 LEU H 1 16 LEU HG . . 6.000 4.139 2.364 4.970 . 0 0 "[ . 1 . 2]" 1
19 1 16 LEU HA 1 16 LEU HB2 . . 2.930 2.744 2.338 3.037 0.107 15 0 "[ . 1 . 2]" 1
20 1 16 LEU HA 1 16 LEU HB3 . . 2.930 2.689 2.401 3.041 0.111 4 0 "[ . 1 . 2]" 1
21 1 16 LEU HA 1 17 GLY H . . 3.200 2.509 2.166 3.513 0.313 14 0 "[ . 1 . 2]" 1
22 1 16 LEU HB2 1 17 GLY H . . 6.000 3.910 2.383 4.629 . 0 0 "[ . 1 . 2]" 1
23 1 16 LEU HB3 1 17 GLY H . . 6.000 3.457 1.967 4.532 . 0 0 "[ . 1 . 2]" 1
24 1 18 GLY QA 1 19 ALA H . . 3.940 2.405 2.171 2.750 . 0 0 "[ . 1 . 2]" 1
25 1 19 ALA HA 1 20 PHE H . . 2.920 2.426 2.187 2.717 . 0 0 "[ . 1 . 2]" 1
26 1 19 ALA MB 1 20 PHE H . 2.270 4.420 2.705 2.004 3.766 0.266 12 0 "[ . 1 . 2]" 1
27 1 20 PHE H 1 20 PHE HB2 . 2.180 3.590 2.932 2.348 3.634 0.044 7 0 "[ . 1 . 2]" 1
28 1 20 PHE H 1 20 PHE HB3 . 2.180 3.790 3.458 2.395 3.867 0.077 2 0 "[ . 1 . 2]" 1
29 1 20 PHE H 1 20 PHE QB . . 3.840 2.673 2.224 3.041 . 0 0 "[ . 1 . 2]" 1
30 1 20 PHE H 1 20 PHE QD . . 8.130 3.349 2.088 4.362 . 0 0 "[ . 1 . 2]" 1
31 1 20 PHE HA 1 33 ARG QD . . 6.880 5.219 3.201 6.403 . 0 0 "[ . 1 . 2]" 1
32 1 20 PHE QB 1 21 VAL H . . 4.640 3.440 1.933 4.059 . 0 0 "[ . 1 . 2]" 1
33 1 21 VAL H 1 21 VAL HB . 2.190 3.380 2.975 2.409 3.608 0.228 12 0 "[ . 1 . 2]" 1
34 1 21 VAL H 1 21 VAL QG . 2.460 6.080 2.605 2.031 3.176 0.429 9 0 "[ . 1 . 2]" 1
35 1 21 VAL H 1 24 ARG QB . . 3.760 2.826 2.045 3.356 . 0 0 "[ . 1 . 2]" 1
36 1 22 ASN H 1 22 ASN QB . . 3.690 2.590 2.190 3.075 . 0 0 "[ . 1 . 2]" 1
37 1 22 ASN H 1 22 ASN QD . . 5.370 4.082 2.173 4.721 . 0 0 "[ . 1 . 2]" 1
38 1 24 ARG H 1 24 ARG QB . 2.270 4.890 2.495 2.116 3.088 0.154 13 0 "[ . 1 . 2]" 1
39 1 24 ARG H 1 24 ARG QD . 3.150 5.600 3.806 2.299 5.061 0.851 7 2 "[ . + -1 . 2]" 1
40 1 24 ARG H 1 24 ARG QG . 2.590 4.760 3.144 2.031 4.237 0.559 2 2 "[ + . - . 2]" 1
41 1 25 PRO HA 1 26 LEU H . 2.270 3.130 2.341 2.166 2.481 0.104 17 0 "[ . 1 . 2]" 1
42 1 25 PRO QB 1 26 LEU QB . . 7.390 4.896 3.975 5.469 . 0 0 "[ . 1 . 2]" 1
43 1 26 LEU H 1 26 LEU HG . 2.930 4.400 3.954 2.843 4.482 0.087 1 0 "[ . 1 . 2]" 1
44 1 26 LEU HA 1 30 VAL HB . . 6.000 4.316 2.681 6.183 0.183 10 0 "[ . 1 . 2]" 1
45 1 27 PRO HA 1 28 GLU H . 2.640 2.920 2.707 2.332 2.945 0.308 1 0 "[ . 1 . 2]" 1
46 1 28 GLU HA 1 28 GLU HG2 . 2.130 3.210 2.762 2.184 3.459 0.249 12 0 "[ . 1 . 2]" 1
47 1 28 GLU HA 1 28 GLU HG3 . 2.130 3.210 2.864 2.275 3.498 0.288 7 0 "[ . 1 . 2]" 1
48 1 28 GLU QB 1 29 VAL H . . 4.850 2.951 2.194 3.919 . 0 0 "[ . 1 . 2]" 1
49 1 29 VAL H 1 29 VAL HB . 2.220 2.900 2.331 2.185 2.518 0.035 5 0 "[ . 1 . 2]" 1
50 1 29 VAL H 1 30 VAL H . 2.720 4.250 2.835 2.368 3.132 0.352 20 0 "[ . 1 . 2]" 1
51 1 29 VAL HA 1 29 VAL HB . . 2.630 2.499 2.379 2.583 . 0 0 "[ . 1 . 2]" 1
52 1 29 VAL HA 1 32 GLN H . 2.760 4.140 3.402 3.077 3.816 . 0 0 "[ . 1 . 2]" 1
53 1 29 VAL HB 1 30 VAL H . 2.810 4.210 4.086 3.933 4.226 0.016 9 0 "[ . 1 . 2]" 1
54 1 29 VAL QG 1 32 GLN H . . 6.270 4.004 3.537 4.485 . 0 0 "[ . 1 . 2]" 1
55 1 30 VAL H 1 30 VAL HB . 2.390 3.010 2.368 2.250 2.607 0.140 2 0 "[ . 1 . 2]" 1
56 1 30 VAL H 1 31 ARG H . 2.710 3.780 2.830 2.687 2.927 0.023 8 0 "[ . 1 . 2]" 1
57 1 30 VAL H 1 31 ARG QB . . 5.600 4.541 4.310 4.830 . 0 0 "[ . 1 . 2]" 1
58 1 30 VAL HA 1 30 VAL HB . . 2.960 2.676 2.368 3.033 0.073 1 0 "[ . 1 . 2]" 1
59 1 30 VAL HA 1 33 ARG H . 2.450 3.670 3.301 3.091 3.677 0.007 4 0 "[ . 1 . 2]" 1
60 1 30 VAL HA 1 34 ILE H . 2.810 4.310 4.100 3.494 4.449 0.139 11 0 "[ . 1 . 2]" 1
61 1 30 VAL QG 1 31 ARG H . . 6.060 2.547 2.036 3.446 . 0 0 "[ . 1 . 2]" 1
62 1 31 ARG H 1 31 ARG HG2 . 2.770 4.540 4.061 2.535 4.557 0.235 19 0 "[ . 1 . 2]" 1
63 1 31 ARG H 1 31 ARG HG3 . 2.770 4.540 4.138 2.519 4.567 0.251 5 0 "[ . 1 . 2]" 1
64 1 31 ARG H 1 31 ARG QG . 2.570 4.830 3.604 2.433 4.041 0.137 5 0 "[ . 1 . 2]" 1
65 1 31 ARG H 1 32 GLN H . 2.720 4.080 2.867 2.750 3.009 . 0 0 "[ . 1 . 2]" 1
66 1 31 ARG HA 1 34 ILE MD . . 7.020 4.060 2.197 5.902 . 0 0 "[ . 1 . 2]" 1
67 1 31 ARG HA 1 71 ILE MD . 2.100 4.170 3.253 2.650 3.454 . 0 0 "[ . 1 . 2]" 1
68 1 31 ARG QB 1 32 GLN H . . 4.110 2.653 2.133 3.721 . 0 0 "[ . 1 . 2]" 1
69 1 31 ARG QB 1 32 GLN QB . . 6.940 4.472 3.458 5.340 . 0 0 "[ . 1 . 2]" 1
70 1 32 GLN H 1 32 GLN QE . . 6.670 4.273 2.811 4.969 . 0 0 "[ . 1 . 2]" 1
71 1 32 GLN H 1 32 GLN QG . . 3.990 2.296 2.124 2.813 . 0 0 "[ . 1 . 2]" 1
72 1 32 GLN H 1 33 ARG H . 2.540 3.630 2.707 2.103 2.910 0.437 13 0 "[ . 1 . 2]" 1
73 1 32 GLN H 1 35 VAL QG . . 6.310 4.499 4.152 4.602 . 0 0 "[ . 1 . 2]" 1
74 1 32 GLN HA 1 32 GLN QE . 2.180 4.130 3.243 2.762 3.794 . 0 0 "[ . 1 . 2]" 1
75 1 32 GLN HE21 1 32 GLN HG2 . 2.180 3.760 3.097 2.209 3.615 . 0 0 "[ . 1 . 2]" 1
76 1 32 GLN HE22 1 32 GLN HG2 . 2.180 4.160 3.876 3.512 4.093 . 0 0 "[ . 1 . 2]" 1
77 1 32 GLN HE21 1 32 GLN HG3 . 2.180 3.760 2.902 2.444 3.602 . 0 0 "[ . 1 . 2]" 1
78 1 32 GLN HE22 1 32 GLN HG3 . 2.180 3.760 3.777 3.579 4.081 0.321 8 0 "[ . 1 . 2]" 1
79 1 32 GLN QB 1 33 ARG H . . 4.650 2.838 2.424 3.732 . 0 0 "[ . 1 . 2]" 1
80 1 32 GLN QE 1 35 VAL QG . . 6.070 3.699 2.371 4.081 . 0 0 "[ . 1 . 2]" 1
81 1 32 GLN QG 1 33 ARG H . . 5.130 3.936 2.679 4.321 . 0 0 "[ . 1 . 2]" 1
82 1 33 ARG H 1 33 ARG QB . . 3.730 2.391 2.146 2.628 . 0 0 "[ . 1 . 2]" 1
83 1 33 ARG H 1 33 ARG QG . 2.450 3.970 2.492 2.125 3.863 0.325 11 0 "[ . 1 . 2]" 1
84 1 33 ARG H 1 34 ILE H . 2.480 3.570 2.721 2.499 2.927 . 0 0 "[ . 1 . 2]" 1
85 1 33 ARG HA 1 33 ARG QD . . 6.880 3.843 2.192 4.557 . 0 0 "[ . 1 . 2]" 1
86 1 33 ARG HA 1 36 ASP H . 2.440 3.660 3.514 3.025 3.743 0.083 18 0 "[ . 1 . 2]" 1
87 1 33 ARG HA 1 36 ASP HB2 . . 6.000 3.471 2.655 4.077 . 0 0 "[ . 1 . 2]" 1
88 1 33 ARG HA 1 36 ASP HB3 . . 6.000 2.932 2.310 4.478 . 0 0 "[ . 1 . 2]" 1
89 1 33 ARG QB 1 33 ARG QD . 2.170 5.010 2.388 2.082 2.963 0.088 13 0 "[ . 1 . 2]" 1
90 1 33 ARG QB 1 34 ILE H . 2.230 4.220 2.701 2.337 3.698 . 0 0 "[ . 1 . 2]" 1
91 1 34 ILE H 1 34 ILE HB . . 2.890 2.486 2.334 2.719 . 0 0 "[ . 1 . 2]" 1
92 1 34 ILE H 1 34 ILE MD . 2.080 4.140 3.110 2.092 3.511 . 0 0 "[ . 1 . 2]" 1
93 1 34 ILE H 1 34 ILE QG . . 3.870 2.286 2.094 3.357 . 0 0 "[ . 1 . 2]" 1
94 1 34 ILE H 1 34 ILE MG . . 7.020 3.774 3.730 3.816 . 0 0 "[ . 1 . 2]" 1
95 1 34 ILE H 1 35 VAL H . 2.690 3.760 2.758 2.655 2.877 0.035 17 0 "[ . 1 . 2]" 1
96 1 34 ILE H 1 62 LEU QD . . 8.020 5.531 4.899 5.854 . 0 0 "[ . 1 . 2]" 1
97 1 34 ILE HA 1 34 ILE MD . . 7.020 2.718 2.099 3.914 . 0 0 "[ . 1 . 2]" 1
98 1 34 ILE HA 1 38 ALA H . 2.540 3.810 3.763 3.532 3.894 0.084 8 0 "[ . 1 . 2]" 1
99 1 34 ILE HB 1 35 VAL H . 2.690 3.220 2.638 2.449 2.985 0.241 19 0 "[ . 1 . 2]" 1
100 1 34 ILE MD 1 34 ILE MG . . 8.040 2.211 2.081 3.232 . 0 0 "[ . 1 . 2]" 1
101 1 34 ILE MG 1 35 VAL H . 2.760 5.160 3.374 3.089 3.637 . 0 0 "[ . 1 . 2]" 1
102 1 34 ILE MG 1 36 ASP H . . 7.020 5.239 5.052 5.403 . 0 0 "[ . 1 . 2]" 1
103 1 34 ILE MG 1 62 LEU H . . 7.020 5.180 4.000 5.762 . 0 0 "[ . 1 . 2]" 1
104 1 35 VAL H 1 35 VAL HB . 2.460 3.260 2.378 2.293 2.644 0.167 7 0 "[ . 1 . 2]" 1
105 1 35 VAL H 1 36 ASP H . 2.710 3.410 2.857 2.722 3.058 . 0 0 "[ . 1 . 2]" 1
106 1 35 VAL HA 1 38 ALA H . 2.600 3.900 3.863 3.382 3.983 0.083 11 0 "[ . 1 . 2]" 1
107 1 35 VAL HB 1 36 ASP H . 2.220 3.250 2.516 2.241 2.699 . 0 0 "[ . 1 . 2]" 1
108 1 35 VAL QG 1 36 ASP H . . 5.950 2.978 2.873 3.126 . 0 0 "[ . 1 . 2]" 1
109 1 36 ASP H 1 36 ASP HB2 . . 3.310 2.454 2.321 2.531 . 0 0 "[ . 1 . 2]" 1
110 1 36 ASP H 1 36 ASP HB3 . . 3.310 2.636 2.409 3.517 0.207 3 0 "[ . 1 . 2]" 1
111 1 36 ASP H 1 36 ASP QB . . 3.710 2.227 2.135 2.424 . 0 0 "[ . 1 . 2]" 1
112 1 36 ASP H 1 37 LEU H . 2.450 3.480 2.882 2.768 3.114 . 0 0 "[ . 1 . 2]" 1
113 1 36 ASP HA 1 39 HIS H . . 6.000 3.745 3.397 4.138 . 0 0 "[ . 1 . 2]" 1
114 1 36 ASP HA 1 39 HIS QB . . 3.920 2.835 2.424 3.301 . 0 0 "[ . 1 . 2]" 1
115 1 36 ASP HB2 1 37 LEU H . 2.430 3.720 3.596 2.388 3.825 0.105 12 0 "[ . 1 . 2]" 1
116 1 36 ASP HB3 1 37 LEU H . 2.430 3.720 2.567 2.313 3.638 0.117 11 0 "[ . 1 . 2]" 1
117 1 37 LEU H 1 37 LEU HG . . 6.000 4.418 3.672 4.556 . 0 0 "[ . 1 . 2]" 1
118 1 37 LEU H 1 37 LEU QB . . 3.790 2.203 2.063 2.314 . 0 0 "[ . 1 . 2]" 1
119 1 37 LEU H 1 38 ALA H . 2.250 3.370 2.815 2.653 2.950 . 0 0 "[ . 1 . 2]" 1
120 1 37 LEU HA 1 40 GLN H . 2.430 3.750 3.836 3.566 3.982 0.232 12 0 "[ . 1 . 2]" 1
121 1 37 LEU HA 1 40 GLN QB . . 6.690 4.011 3.351 5.012 . 0 0 "[ . 1 . 2]" 1
122 1 37 LEU HG 1 38 ALA H . . 6.000 4.175 3.635 5.148 . 0 0 "[ . 1 . 2]" 1
123 1 37 LEU HG 1 40 GLN HE21 . 2.470 3.730 2.882 2.296 3.806 0.174 3 0 "[ . 1 . 2]" 1
124 1 37 LEU HG 1 40 GLN HE22 . 2.470 3.730 3.300 2.401 3.882 0.152 10 0 "[ . 1 . 2]" 1
125 1 37 LEU HG 1 42 VAL H . . 6.000 5.704 4.369 6.110 0.110 17 0 "[ . 1 . 2]" 1
126 1 37 LEU HG 1 50 GLN QE . . 4.710 3.652 2.577 4.317 . 0 0 "[ . 1 . 2]" 1
127 1 37 LEU QB 1 38 ALA H . . 4.220 2.483 2.253 2.848 . 0 0 "[ . 1 . 2]" 1
128 1 37 LEU QD 1 50 GLN H . . 8.100 5.308 4.280 5.949 . 0 0 "[ . 1 . 2]" 1
129 1 37 LEU QD 1 50 GLN QE . . 7.070 2.903 2.424 3.487 . 0 0 "[ . 1 . 2]" 1
130 1 38 ALA H 1 39 HIS H . 2.300 3.440 2.777 2.653 2.869 . 0 0 "[ . 1 . 2]" 1
131 1 38 ALA H 1 47 ILE MD . . 7.020 4.756 3.206 5.742 . 0 0 "[ . 1 . 2]" 1
132 1 38 ALA HA 1 42 VAL H . 2.330 3.490 3.273 2.623 3.603 0.113 7 0 "[ . 1 . 2]" 1
133 1 38 ALA MB 1 39 HIS H . 2.250 4.400 2.687 2.387 2.936 . 0 0 "[ . 1 . 2]" 1
134 1 39 HIS H 1 39 HIS HB2 . . 3.260 2.402 2.166 2.564 . 0 0 "[ . 1 . 2]" 1
135 1 39 HIS H 1 39 HIS HB3 . . 3.260 2.645 2.412 3.457 0.197 17 0 "[ . 1 . 2]" 1
136 1 39 HIS H 1 39 HIS QB . . 3.620 2.198 2.138 2.267 . 0 0 "[ . 1 . 2]" 1
137 1 39 HIS H 1 40 GLN H . 2.260 3.270 2.903 2.798 3.034 . 0 0 "[ . 1 . 2]" 1
138 1 39 HIS H 1 41 GLY H . 2.950 4.270 4.214 3.650 4.355 0.085 13 0 "[ . 1 . 2]" 1
139 1 39 HIS HA 1 41 GLY H . 2.770 4.150 3.836 3.510 4.188 0.038 18 0 "[ . 1 . 2]" 1
140 1 39 HIS QB 1 40 GLN H . . 4.350 2.881 2.347 3.381 . 0 0 "[ . 1 . 2]" 1
141 1 40 GLN H 1 40 GLN HG2 . 2.170 3.290 2.661 2.273 3.342 0.052 3 0 "[ . 1 . 2]" 1
142 1 40 GLN H 1 40 GLN HG3 . 2.170 3.890 3.801 2.119 3.968 0.078 14 0 "[ . 1 . 2]" 1
143 1 40 GLN H 1 41 GLY H . 2.190 3.280 2.646 2.453 2.744 . 0 0 "[ . 1 . 2]" 1
144 1 40 GLN HB2 1 41 GLY H . 2.750 4.280 4.217 2.823 4.353 0.073 10 0 "[ . 1 . 2]" 1
145 1 40 GLN HB3 1 41 GLY H . 2.750 4.280 4.068 3.835 4.382 0.102 1 0 "[ . 1 . 2]" 1
146 1 40 GLN QB 1 41 GLY H . . 4.620 3.669 2.755 3.800 . 0 0 "[ . 1 . 2]" 1
147 1 40 GLN QG 1 50 GLN QE . . 5.830 4.440 3.727 4.678 . 0 0 "[ . 1 . 2]" 1
148 1 41 GLY H 1 42 VAL H . 2.140 3.210 2.622 2.154 3.225 0.015 18 0 "[ . 1 . 2]" 1
149 1 41 GLY H 1 42 VAL QG . . 5.920 3.124 2.415 3.621 . 0 0 "[ . 1 . 2]" 1
150 1 42 VAL H 1 42 VAL HB . 2.110 3.120 2.879 2.298 3.180 0.060 13 0 "[ . 1 . 2]" 1
151 1 42 VAL H 1 42 VAL MG1 . . 7.020 3.043 1.939 3.962 . 0 0 "[ . 1 . 2]" 1
152 1 42 VAL H 1 42 VAL MG2 . . 7.020 3.194 2.105 4.009 . 0 0 "[ . 1 . 2]" 1
153 1 42 VAL H 1 47 ILE MD . . 7.020 4.958 3.435 5.686 . 0 0 "[ . 1 . 2]" 1
154 1 42 VAL HA 1 42 VAL MG2 . . 3.620 2.390 2.264 2.635 . 0 0 "[ . 1 . 2]" 1
155 1 42 VAL HA 1 43 ARG H . . 2.560 2.201 2.100 2.347 . 0 0 "[ . 1 . 2]" 1
156 1 42 VAL QG 1 43 ARG H . . 4.950 2.567 2.010 3.122 . 0 0 "[ . 1 . 2]" 1
157 1 42 VAL QG 1 46 ASP H . . 6.130 3.665 3.350 4.120 . 0 0 "[ . 1 . 2]" 1
158 1 42 VAL QG 1 47 ILE H . . 5.590 2.874 2.458 4.001 . 0 0 "[ . 1 . 2]" 1
159 1 42 VAL QG 1 50 GLN QE . . 7.110 1.969 1.758 2.515 . 0 0 "[ . 1 . 2]" 1
160 1 43 ARG H 1 43 ARG HG2 . 2.090 3.300 2.619 1.968 3.373 0.122 19 0 "[ . 1 . 2]" 1
161 1 43 ARG H 1 43 ARG HG3 . 2.090 3.300 2.800 2.038 3.495 0.195 5 0 "[ . 1 . 2]" 1
162 1 43 ARG H 1 43 ARG QD . 3.120 5.560 3.740 2.946 4.210 0.174 5 0 "[ . 1 . 2]" 1
163 1 43 ARG H 1 43 ARG QG . . 3.740 2.067 1.957 2.246 . 0 0 "[ . 1 . 2]" 1
164 1 43 ARG QG 1 46 ASP H . . 4.810 3.458 1.933 4.381 . 0 0 "[ . 1 . 2]" 1
165 1 45 CYS HA 1 45 CYS HB2 . . 2.870 2.718 2.440 3.030 0.160 18 0 "[ . 1 . 2]" 1
166 1 45 CYS HA 1 45 CYS HB3 . . 2.870 2.563 2.419 3.024 0.154 11 0 "[ . 1 . 2]" 1
167 1 45 CYS HA 1 46 ASP H . 2.870 3.460 3.543 3.402 3.577 0.117 16 0 "[ . 1 . 2]" 1
168 1 46 ASP H 1 46 ASP HB2 . 2.380 3.710 2.519 2.312 2.783 0.068 18 0 "[ . 1 . 2]" 1
169 1 46 ASP H 1 46 ASP HB3 . 2.380 3.710 2.944 2.460 3.626 . 0 0 "[ . 1 . 2]" 1
170 1 46 ASP H 1 47 ILE H . 2.320 3.460 2.514 2.003 2.803 0.317 1 0 "[ . 1 . 2]" 1
171 1 46 ASP H 1 47 ILE HB . . 6.000 4.679 4.168 5.067 . 0 0 "[ . 1 . 2]" 1
172 1 46 ASP HB2 1 47 ILE H . 2.870 4.310 3.694 2.926 4.192 . 0 0 "[ . 1 . 2]" 1
173 1 46 ASP HB3 1 47 ILE H . 2.870 4.310 3.285 2.639 4.102 0.231 19 0 "[ . 1 . 2]" 1
174 1 47 ILE H 1 47 ILE HB . 2.260 3.390 2.494 2.367 2.637 . 0 0 "[ . 1 . 2]" 1
175 1 47 ILE H 1 47 ILE HG12 . 2.260 3.900 3.365 2.202 3.822 0.058 3 0 "[ . 1 . 2]" 1
176 1 47 ILE H 1 47 ILE HG13 . 2.160 3.900 2.271 1.984 3.654 0.176 17 0 "[ . 1 . 2]" 1
177 1 47 ILE H 1 47 ILE MD . . 7.020 3.600 3.176 3.748 . 0 0 "[ . 1 . 2]" 1
178 1 47 ILE H 1 47 ILE QG . 2.130 4.080 2.174 1.964 2.519 0.166 17 0 "[ . 1 . 2]" 1
179 1 47 ILE H 1 47 ILE MG . . 7.020 3.791 3.738 3.836 . 0 0 "[ . 1 . 2]" 1
180 1 47 ILE H 1 48 SER H . 2.450 3.530 2.718 2.373 2.856 0.077 6 0 "[ . 1 . 2]" 1
181 1 47 ILE HA 1 47 ILE MD . . 7.020 3.752 2.230 3.893 . 0 0 "[ . 1 . 2]" 1
182 1 47 ILE HA 1 47 ILE MG . 2.160 4.260 2.445 2.361 2.562 . 0 0 "[ . 1 . 2]" 1
183 1 47 ILE HB 1 48 SER H . 2.280 3.420 2.649 2.267 3.080 0.013 3 0 "[ . 1 . 2]" 1
184 1 47 ILE HB 1 51 LEU QD . . 8.020 4.621 4.335 5.292 . 0 0 "[ . 1 . 2]" 1
185 1 47 ILE HG12 1 48 SER H . 2.960 5.020 4.972 4.096 5.147 0.127 13 0 "[ . 1 . 2]" 1
186 1 47 ILE HG13 1 48 SER H . 2.960 4.620 4.351 4.189 4.659 0.039 3 0 "[ . 1 . 2]" 1
187 1 47 ILE MD 1 48 SER H . . 7.020 4.669 4.292 5.012 . 0 0 "[ . 1 . 2]" 1
188 1 47 ILE QG 1 48 SER H . 2.690 5.010 4.078 3.845 4.287 . 0 0 "[ . 1 . 2]" 1
189 1 48 SER H 1 48 SER QB . 2.130 4.080 2.546 2.150 2.749 . 0 0 "[ . 1 . 2]" 1
190 1 48 SER H 1 49 ARG H . 2.650 3.770 2.983 2.785 3.228 . 0 0 "[ . 1 . 2]" 1
191 1 48 SER H 1 58 VAL QG . . 5.650 2.878 2.241 3.535 . 0 0 "[ . 1 . 2]" 1
192 1 48 SER HA 1 53 VAL H . 2.650 3.980 3.249 2.588 3.913 0.062 3 0 "[ . 1 . 2]" 1
193 1 48 SER HA 1 53 VAL QG . . 4.890 2.522 2.055 3.593 . 0 0 "[ . 1 . 2]" 1
194 1 48 SER QB 1 49 ARG H . 2.500 4.070 2.772 2.291 3.516 0.209 16 0 "[ . 1 . 2]" 1
195 1 48 SER QB 1 53 VAL QG . . 6.000 3.338 2.928 4.104 . 0 0 "[ . 1 . 2]" 1
196 1 49 ARG H 1 49 ARG HG2 . 2.120 3.350 2.912 2.051 3.526 0.176 20 0 "[ . 1 . 2]" 1
197 1 49 ARG H 1 49 ARG HG3 . 2.120 3.350 2.598 1.955 3.469 0.165 8 0 "[ . 1 . 2]" 1
198 1 49 ARG H 1 49 ARG QD . . 6.880 3.866 2.830 4.288 . 0 0 "[ . 1 . 2]" 1
199 1 49 ARG H 1 49 ARG QG . 2.070 3.790 2.159 1.945 2.606 0.125 8 0 "[ . 1 . 2]" 1
200 1 49 ARG H 1 50 GLN H . 2.430 3.250 2.752 2.576 3.002 . 0 0 "[ . 1 . 2]" 1
201 1 49 ARG QB 1 50 GLN H . . 6.880 3.143 2.054 3.883 . 0 0 "[ . 1 . 2]" 1
202 1 49 ARG QG 1 50 GLN H . . 4.220 2.945 2.076 3.921 . 0 0 "[ . 1 . 2]" 1
203 1 50 GLN H 1 50 GLN HE21 . 3.130 4.810 3.520 3.230 4.023 . 0 0 "[ . 1 . 2]" 1
204 1 50 GLN H 1 50 GLN HG2 . 2.170 3.250 3.371 3.286 3.463 0.213 16 0 "[ . 1 . 2]" 1
205 1 50 GLN H 1 50 GLN HG3 . 2.170 3.250 2.127 2.048 2.233 0.122 13 0 "[ . 1 . 2]" 1
206 1 50 GLN H 1 50 GLN QE . . 5.090 3.452 3.187 3.880 . 0 0 "[ . 1 . 2]" 1
207 1 50 GLN H 1 51 LEU H . 2.260 3.230 2.813 2.580 3.023 . 0 0 "[ . 1 . 2]" 1
208 1 50 GLN HA 1 50 GLN HB3 . . 2.790 2.500 2.441 2.532 . 0 0 "[ . 1 . 2]" 1
209 1 50 GLN HA 1 50 GLN HG2 . 2.020 3.040 2.486 2.362 2.600 . 0 0 "[ . 1 . 2]" 1
210 1 50 GLN HA 1 52 ARG H . 2.830 4.240 4.136 3.751 4.309 0.069 8 0 "[ . 1 . 2]" 1
211 1 50 GLN HB2 1 51 LEU H . . 6.000 2.669 2.440 2.942 . 0 0 "[ . 1 . 2]" 1
212 1 50 GLN HB3 1 51 LEU H . . 6.000 3.653 3.375 3.873 . 0 0 "[ . 1 . 2]" 1
213 1 51 LEU H 1 51 LEU HG . . 6.000 4.028 3.870 4.151 . 0 0 "[ . 1 . 2]" 1
214 1 51 LEU H 1 51 LEU QB . . 3.690 2.252 2.177 2.336 . 0 0 "[ . 1 . 2]" 1
215 1 51 LEU H 1 51 LEU QD . . 5.230 2.422 2.268 2.571 . 0 0 "[ . 1 . 2]" 1
216 1 51 LEU H 1 52 ARG H . 2.170 3.150 2.348 2.222 2.496 . 0 0 "[ . 1 . 2]" 1
217 1 51 LEU H 1 52 ARG HA . 2.690 4.340 4.470 4.379 4.544 0.204 3 0 "[ . 1 . 2]" 1
218 1 51 LEU HA 1 51 LEU MD1 . . 4.240 2.176 2.101 2.273 . 0 0 "[ . 1 . 2]" 1
219 1 51 LEU HA 1 51 LEU MD2 . . 4.240 2.623 2.374 2.981 . 0 0 "[ . 1 . 2]" 1
220 1 52 ARG H 1 52 ARG HB2 . 2.650 4.020 3.731 3.054 3.988 . 0 0 "[ . 1 . 2]" 1
221 1 52 ARG H 1 52 ARG HB3 . 2.650 4.020 3.772 2.937 4.088 0.068 12 0 "[ . 1 . 2]" 1
222 1 52 ARG H 1 52 ARG QD . 2.830 5.330 3.914 2.561 4.828 0.269 1 0 "[ . 1 . 2]" 1
223 1 52 ARG H 1 52 ARG QG . 2.230 4.530 3.079 2.707 3.910 . 0 0 "[ . 1 . 2]" 1
224 1 52 ARG H 1 53 VAL H . 2.390 3.570 2.843 2.539 3.079 . 0 0 "[ . 1 . 2]" 1
225 1 52 ARG HA 1 53 VAL H . 2.230 3.340 2.427 2.288 2.700 . 0 0 "[ . 1 . 2]" 1
226 1 52 ARG QG 1 53 VAL H . 2.670 5.080 4.486 4.341 4.637 . 0 0 "[ . 1 . 2]" 1
227 1 52 ARG QG 1 53 VAL QG . . 8.980 4.474 3.284 5.152 . 0 0 "[ . 1 . 2]" 1
228 1 53 VAL H 1 53 VAL HB . 2.770 4.150 3.562 2.446 3.952 0.324 12 0 "[ . 1 . 2]" 1
229 1 53 VAL H 1 53 VAL MG1 . 2.270 4.780 3.315 2.795 3.967 . 0 0 "[ . 1 . 2]" 1
230 1 53 VAL H 1 53 VAL MG2 . 2.170 4.780 2.405 2.134 2.915 0.036 3 0 "[ . 1 . 2]" 1
231 1 53 VAL HA 1 54 SER H . 2.340 3.310 2.767 2.348 3.479 0.169 19 0 "[ . 1 . 2]" 1
232 1 53 VAL HB 1 54 SER H . 2.210 3.170 2.216 1.960 3.215 0.250 7 0 "[ . 1 . 2]" 1
233 1 53 VAL MG1 1 54 SER H . 2.580 5.160 3.333 2.026 3.750 0.554 16 1 "[ . 1 .+ 2]" 1
234 1 53 VAL MG2 1 54 SER H . 2.580 5.160 3.356 2.419 4.185 0.161 7 0 "[ . 1 . 2]" 1
235 1 53 VAL QG 1 54 SER H . 2.370 5.660 2.845 2.016 3.480 0.354 16 0 "[ . 1 . 2]" 1
236 1 53 VAL QG 1 58 VAL H . . 6.220 3.145 2.266 3.953 . 0 0 "[ . 1 . 2]" 1
237 1 55 HIS HA 1 58 VAL HB . 2.220 3.090 2.544 2.228 3.162 0.072 18 0 "[ . 1 . 2]" 1
238 1 57 CYS H 1 57 CYS HB2 . 2.090 4.100 2.452 2.340 2.562 . 0 0 "[ . 1 . 2]" 1
239 1 57 CYS H 1 57 CYS HB3 . 2.490 4.100 3.326 2.440 3.637 0.050 6 0 "[ . 1 . 2]" 1
240 1 57 CYS H 1 57 CYS HG . 2.920 4.380 3.531 2.394 4.494 0.526 12 1 "[ . 1 + . 2]" 1
241 1 57 CYS H 1 58 VAL H . 2.490 3.990 2.570 2.419 2.739 0.071 2 0 "[ . 1 . 2]" 1
242 1 57 CYS H 1 58 VAL HB . 3.000 4.700 4.740 4.529 4.813 0.113 2 0 "[ . 1 . 2]" 1
243 1 57 CYS HA 1 57 CYS HG . . 3.330 2.648 2.263 3.335 0.005 12 0 "[ . 1 . 2]" 1
244 1 57 CYS HB2 1 58 VAL H . 2.680 4.190 3.087 2.488 4.081 0.192 1 0 "[ . 1 . 2]" 1
245 1 57 CYS HB3 1 58 VAL H . 2.680 4.190 3.516 2.534 4.086 0.146 19 0 "[ . 1 . 2]" 1
246 1 57 CYS QB 1 58 VAL H . 2.430 4.530 2.712 2.445 3.206 . 0 0 "[ . 1 . 2]" 1
247 1 58 VAL H 1 58 VAL HB . 2.280 3.410 2.501 2.343 2.668 . 0 0 "[ . 1 . 2]" 1
248 1 58 VAL H 1 58 VAL MG1 . . 7.020 3.763 3.711 3.789 . 0 0 "[ . 1 . 2]" 1
249 1 58 VAL H 1 58 VAL MG2 . . 7.020 2.095 1.937 2.301 . 0 0 "[ . 1 . 2]" 1
250 1 58 VAL H 1 59 SER H . 2.440 3.630 2.837 2.349 3.017 0.091 17 0 "[ . 1 . 2]" 1
251 1 58 VAL HA 1 61 ILE H . 2.910 4.370 3.502 2.943 4.022 . 0 0 "[ . 1 . 2]" 1
252 1 58 VAL HB 1 59 SER H . 2.330 3.320 2.656 2.304 3.040 0.026 16 0 "[ . 1 . 2]" 1
253 1 58 VAL QG 1 59 SER H . . 5.710 3.213 2.949 3.421 . 0 0 "[ . 1 . 2]" 1
254 1 58 VAL QG 1 59 SER HA . . 8.100 3.544 3.163 3.855 . 0 0 "[ . 1 . 2]" 1
255 1 59 SER H 1 59 SER HB2 . 2.130 3.200 2.435 2.378 2.589 . 0 0 "[ . 1 . 2]" 1
256 1 59 SER H 1 59 SER HB3 . 2.130 3.200 2.724 2.538 3.480 0.280 6 0 "[ . 1 . 2]" 1
257 1 59 SER H 1 60 LYS H . 2.390 3.530 2.926 2.748 3.139 . 0 0 "[ . 1 . 2]" 1
258 1 59 SER HA 1 60 LYS H . . 6.000 3.597 3.527 3.632 . 0 0 "[ . 1 . 2]" 1
259 1 59 SER QB 1 60 LYS H . . 3.850 2.546 2.266 3.052 . 0 0 "[ . 1 . 2]" 1
260 1 60 LYS H 1 60 LYS QB . . 3.810 2.444 2.210 2.778 . 0 0 "[ . 1 . 2]" 1
261 1 60 LYS H 1 60 LYS QD . 3.000 5.380 3.832 3.468 4.303 . 0 0 "[ . 1 . 2]" 1
262 1 60 LYS H 1 60 LYS QE . 3.060 5.470 4.484 4.156 4.897 . 0 0 "[ . 1 . 2]" 1
263 1 60 LYS H 1 60 LYS QG . . 3.930 2.270 2.044 2.853 . 0 0 "[ . 1 . 2]" 1
264 1 60 LYS HA 1 60 LYS QD . . 6.880 3.695 2.064 4.464 . 0 0 "[ . 1 . 2]" 1
265 1 60 LYS QE 1 60 LYS HG2 . 2.120 4.180 2.621 2.355 3.347 . 0 0 "[ . 1 . 2]" 1
266 1 60 LYS QE 1 60 LYS HG3 . 2.120 4.180 2.498 2.340 3.349 . 0 0 "[ . 1 . 2]" 1
267 1 60 LYS QB 1 61 ILE H . 2.310 4.340 2.820 2.330 3.696 . 0 0 "[ . 1 . 2]" 1
268 1 60 LYS QB 1 64 ARG HA . . 6.880 5.116 2.724 6.287 . 0 0 "[ . 1 . 2]" 1
269 1 61 ILE H 1 61 ILE MD . 2.530 4.220 3.413 2.900 3.726 . 0 0 "[ . 1 . 2]" 1
270 1 61 ILE H 1 61 ILE QG . 2.170 4.110 2.213 1.999 2.544 0.171 17 0 "[ . 1 . 2]" 1
271 1 61 ILE H 1 61 ILE MG . . 7.020 3.451 2.172 3.805 . 0 0 "[ . 1 . 2]" 1
272 1 61 ILE H 1 62 LEU H . 2.370 3.460 2.754 2.621 2.890 . 0 0 "[ . 1 . 2]" 1
273 1 61 ILE HA 1 61 ILE MD . . 7.020 3.162 2.129 4.188 . 0 0 "[ . 1 . 2]" 1
274 1 61 ILE HA 1 61 ILE QG . 2.040 3.940 2.807 2.237 3.351 . 0 0 "[ . 1 . 2]" 1
275 1 61 ILE HA 1 61 ILE MG . 2.100 4.170 2.436 2.229 2.640 . 0 0 "[ . 1 . 2]" 1
276 1 61 ILE HB 1 62 LEU H . 2.510 3.770 2.922 2.399 3.982 0.212 15 0 "[ . 1 . 2]" 1
277 1 61 ILE MG 1 62 LEU H . . 7.020 3.470 2.846 4.126 . 0 0 "[ . 1 . 2]" 1
278 1 62 LEU H 1 62 LEU HG . . 6.000 4.108 3.819 4.564 . 0 0 "[ . 1 . 2]" 1
279 1 62 LEU H 1 62 LEU MD1 . . 7.020 4.142 3.946 4.293 . 0 0 "[ . 1 . 2]" 1
280 1 62 LEU H 1 62 LEU MD2 . . 7.020 2.909 2.154 4.179 . 0 0 "[ . 1 . 2]" 1
281 1 62 LEU H 1 63 GLY H . 2.460 3.590 2.764 2.588 3.154 . 0 0 "[ . 1 . 2]" 1
282 1 62 LEU HA 1 62 LEU MD1 . . 4.210 2.484 2.155 3.425 . 0 0 "[ . 1 . 2]" 1
283 1 62 LEU HA 1 62 LEU MD2 . . 4.210 2.274 2.157 2.473 . 0 0 "[ . 1 . 2]" 1
284 1 62 LEU HB2 1 63 GLY H . 2.600 4.410 3.187 2.444 3.790 0.156 6 0 "[ . 1 . 2]" 1
285 1 62 LEU HB3 1 63 GLY H . 2.600 4.410 3.099 2.177 4.134 0.423 8 0 "[ . 1 . 2]" 1
286 1 62 LEU QB 1 63 GLY H . 2.430 4.530 2.669 2.161 3.499 0.269 8 0 "[ . 1 . 2]" 1
287 1 63 GLY H 1 64 ARG H . 2.720 4.070 3.545 2.570 4.212 0.150 4 0 "[ . 1 . 2]" 1
288 1 64 ARG H 1 64 ARG QB . 2.070 3.980 2.381 2.079 2.630 . 0 0 "[ . 1 . 2]" 1
289 1 64 ARG H 1 64 ARG QG . 2.290 4.160 2.873 1.998 3.982 0.292 20 0 "[ . 1 . 2]" 1
290 1 64 ARG H 1 65 TYR H . 2.440 3.650 2.614 2.266 3.008 0.174 3 0 "[ . 1 . 2]" 1
291 1 64 ARG H 1 67 GLU HA . . 6.000 5.400 3.810 6.193 0.193 12 0 "[ . 1 . 2]" 1
292 1 64 ARG HA 1 64 ARG QD . 2.050 3.950 3.090 2.170 3.791 . 0 0 "[ . 1 . 2]" 1
293 1 64 ARG QB 1 64 ARG QD . 2.020 4.500 2.362 2.060 2.939 . 0 0 "[ . 1 . 2]" 1
294 1 64 ARG QB 1 65 TYR H . 2.320 4.350 2.840 2.116 3.867 0.204 20 0 "[ . 1 . 2]" 1
295 1 64 ARG QB 1 67 GLU HA . . 6.880 4.435 2.372 6.025 . 0 0 "[ . 1 . 2]" 1
296 1 64 ARG QG 1 67 GLU HA . . 6.880 4.945 2.769 6.235 . 0 0 "[ . 1 . 2]" 1
297 1 65 TYR H 1 65 TYR QD . 2.480 3.720 3.122 2.256 3.576 0.224 17 0 "[ . 1 . 2]" 1
298 1 65 TYR H 1 65 TYR QE . 3.020 6.660 4.513 3.700 4.995 . 0 0 "[ . 1 . 2]" 1
299 1 65 TYR H 1 66 TYR H . 2.540 3.690 2.894 2.163 3.959 0.377 7 0 "[ . 1 . 2]" 1
300 1 65 TYR H 1 66 TYR QB . . 6.690 5.057 4.242 5.714 . 0 0 "[ . 1 . 2]" 1
301 1 65 TYR HA 1 65 TYR QD . . 6.000 3.005 2.330 3.808 . 0 0 "[ . 1 . 2]" 1
302 1 66 TYR H 1 66 TYR HB2 . 2.530 3.920 3.229 2.552 3.989 0.069 15 0 "[ . 1 . 2]" 1
303 1 66 TYR H 1 66 TYR HB3 . 2.530 3.920 3.507 2.423 4.045 0.125 1 0 "[ . 1 . 2]" 1
304 1 66 TYR H 1 66 TYR HD1 . . 6.000 4.395 3.241 5.179 . 0 0 "[ . 1 . 2]" 1
305 1 66 TYR QB 1 67 GLU H . . 4.900 3.473 2.165 4.112 . 0 0 "[ . 1 . 2]" 1
306 1 67 GLU H 1 67 GLU QG . . 4.040 2.754 1.991 3.910 . 0 0 "[ . 1 . 2]" 1
307 1 67 GLU H 1 71 ILE MD . 2.330 4.510 3.363 2.284 3.788 0.046 9 0 "[ . 1 . 2]" 1
308 1 67 GLU H 1 72 ARG QG . . 6.880 5.560 3.891 6.296 . 0 0 "[ . 1 . 2]" 1
309 1 67 GLU HA 1 67 GLU HG2 . . 3.090 2.548 2.268 3.103 0.013 6 0 "[ . 1 . 2]" 1
310 1 67 GLU HA 1 67 GLU HG3 . . 3.090 3.021 2.293 3.473 0.383 1 0 "[ . 1 . 2]" 1
311 1 67 GLU HA 1 67 GLU QG . . 3.570 2.362 2.226 2.574 . 0 0 "[ . 1 . 2]" 1
312 1 67 GLU QB 1 68 THR H . . 4.660 2.818 1.888 3.968 . 0 0 "[ . 1 . 2]" 1
313 1 68 THR H 1 68 THR HG1 . . 2.650 2.322 1.829 2.871 0.221 1 0 "[ . 1 . 2]" 1
314 1 68 THR H 1 68 THR MG . 2.470 3.720 2.446 2.028 3.078 0.442 18 0 "[ . 1 . 2]" 1
315 1 68 THR H 1 69 GLY H . 2.890 4.330 3.253 2.435 4.475 0.455 16 0 "[ . 1 . 2]" 1
316 1 68 THR HA 1 68 THR MG . . 3.660 2.308 2.208 2.383 . 0 0 "[ . 1 . 2]" 1
317 1 69 GLY H 1 70 SER H . 3.220 4.830 3.496 2.847 4.582 0.373 5 0 "[ . 1 . 2]" 1
318 1 70 SER H 1 70 SER QB . 2.390 4.470 2.841 2.234 3.377 0.156 13 0 "[ . 1 . 2]" 1
319 1 70 SER H 1 71 ILE QG . . 4.980 3.531 2.278 4.370 . 0 0 "[ . 1 . 2]" 1
320 1 70 SER HA 1 71 ILE H . . 3.070 2.723 2.269 3.453 0.383 14 0 "[ . 1 . 2]" 1
321 1 70 SER HA 1 72 ARG H . 2.720 4.070 3.742 2.921 4.210 0.140 15 0 "[ . 1 . 2]" 1
322 1 70 SER QB 1 71 ILE H . 2.370 4.630 3.285 2.074 4.080 0.296 1 0 "[ . 1 . 2]" 1
323 1 71 ILE H 1 71 ILE HG12 . 2.350 3.540 3.002 2.275 3.653 0.113 10 0 "[ . 1 . 2]" 1
324 1 71 ILE H 1 71 ILE HG13 . 2.350 3.540 2.779 2.049 3.599 0.301 4 0 "[ . 1 . 2]" 1
325 1 71 ILE H 1 71 ILE MD . . 7.020 4.053 3.354 4.458 . 0 0 "[ . 1 . 2]" 1
326 1 71 ILE H 1 71 ILE MG . . 7.020 3.800 3.096 3.998 . 0 0 "[ . 1 . 2]" 1
327 1 71 ILE H 1 72 ARG H . 2.450 3.630 2.950 2.414 3.706 0.076 5 0 "[ . 1 . 2]" 1
328 1 71 ILE HA 1 72 ARG H . . 2.900 2.648 2.375 2.957 0.057 7 0 "[ . 1 . 2]" 1
329 1 71 ILE QG 1 72 ARG QB . . 7.370 5.542 3.054 5.903 . 0 0 "[ . 1 . 2]" 1
330 1 71 ILE MG 1 72 ARG H . 2.390 5.200 4.132 3.869 4.389 . 0 0 "[ . 1 . 2]" 1
331 1 72 ARG H 1 72 ARG QD . 2.970 5.330 4.415 3.903 4.804 . 0 0 "[ . 1 . 2]" 1
332 1 72 ARG H 1 72 ARG QG . . 6.880 3.146 2.398 4.393 . 0 0 "[ . 1 . 2]" 1
333 1 73 PRO HA 1 74 GLY H . . 2.230 2.302 2.203 2.401 0.171 13 0 "[ . 1 . 2]" 1
334 1 74 GLY H 1 75 VAL H . 2.800 4.130 3.574 2.650 4.357 0.227 19 0 "[ . 1 . 2]" 1
335 1 74 GLY QA 1 75 VAL H . . 3.560 2.334 2.131 2.577 . 0 0 "[ . 1 . 2]" 1
336 1 75 VAL H 1 75 VAL QG . . 4.920 2.320 1.897 2.679 . 0 0 "[ . 1 . 2]" 1
337 1 75 VAL H 1 76 ILE H . 2.440 3.790 3.459 2.064 4.086 0.376 13 0 "[ . 1 . 2]" 1
338 1 75 VAL HA 1 75 VAL HB . . 2.430 2.443 2.374 2.513 0.083 19 0 "[ . 1 . 2]" 1
339 1 75 VAL HB 1 76 ILE H . . 6.000 4.140 1.910 4.511 . 0 0 "[ . 1 . 2]" 1
340 1 76 ILE H 1 76 ILE HA . . 2.860 2.862 2.186 2.956 0.096 16 0 "[ . 1 . 2]" 1
341 1 76 ILE H 1 76 ILE HB . . 2.780 2.504 2.406 3.201 0.421 5 0 "[ . 1 . 2]" 1
342 1 76 ILE H 1 76 ILE HG12 . 2.160 3.520 3.256 2.088 3.552 0.072 2 0 "[ . 1 . 2]" 1
343 1 76 ILE H 1 76 ILE HG13 . 2.160 3.520 2.445 2.091 3.588 0.069 13 0 "[ . 1 . 2]" 1
344 1 76 ILE H 1 76 ILE QG . . 3.710 2.199 2.065 2.415 . 0 0 "[ . 1 . 2]" 1
345 1 76 ILE H 1 76 ILE MG . . 7.020 3.790 3.757 4.051 . 0 0 "[ . 1 . 2]" 1
346 1 76 ILE HA 1 76 ILE QG . . 4.020 2.510 2.245 3.130 . 0 0 "[ . 1 . 2]" 1
347 1 76 ILE HB 1 77 GLY H . 2.650 4.130 3.899 2.432 4.259 0.218 10 0 "[ . 1 . 2]" 1
348 1 76 ILE MG 1 77 GLY H . 2.420 4.650 2.697 2.234 3.394 0.186 5 0 "[ . 1 . 2]" 1
349 1 79 SER HA 1 80 LYS H . . 2.960 2.341 2.175 2.661 . 0 0 "[ . 1 . 2]" 1
350 1 79 SER QB 1 80 LYS H . 2.280 4.300 2.963 2.321 3.950 . 0 0 "[ . 1 . 2]" 1
351 1 80 LYS H 1 80 LYS HB2 . . 3.300 3.003 2.186 3.617 0.317 15 0 "[ . 1 . 2]" 1
352 1 80 LYS H 1 80 LYS HB3 . . 3.300 2.975 2.442 3.495 0.195 11 0 "[ . 1 . 2]" 1
353 1 80 LYS H 1 80 LYS HG2 . . 6.000 4.412 2.186 5.139 . 0 0 "[ . 1 . 2]" 1
354 1 80 LYS H 1 80 LYS HG3 . . 6.000 4.387 2.345 4.855 . 0 0 "[ . 1 . 2]" 1
355 1 80 LYS H 1 80 LYS QB . . 3.690 2.571 2.163 3.004 . 0 0 "[ . 1 . 2]" 1
356 1 80 LYS H 1 80 LYS QD . . 6.880 4.485 2.281 5.336 . 0 0 "[ . 1 . 2]" 1
357 1 80 LYS QB 1 81 PRO QD . . 6.950 3.602 2.268 3.920 . 0 0 "[ . 1 . 2]" 1
358 1 81 PRO QB 1 82 LYS H . . 4.330 2.707 2.306 3.555 . 0 0 "[ . 1 . 2]" 1
359 1 81 PRO QG 1 82 LYS H . . 4.720 3.836 2.118 4.247 . 0 0 "[ . 1 . 2]" 1
360 1 82 LYS H 1 82 LYS HG2 . . 6.000 4.037 2.303 5.216 . 0 0 "[ . 1 . 2]" 1
361 1 82 LYS H 1 82 LYS HG3 . . 6.000 4.415 3.630 5.241 . 0 0 "[ . 1 . 2]" 1
362 1 82 LYS H 1 82 LYS QD . . 6.880 4.204 2.537 4.936 . 0 0 "[ . 1 . 2]" 1
363 1 82 LYS H 1 83 VAL H . 2.560 3.840 3.725 2.831 4.182 0.342 2 0 "[ . 1 . 2]" 1
364 1 82 LYS HA 1 82 LYS QD . . 3.750 2.381 2.159 3.112 . 0 0 "[ . 1 . 2]" 1
365 1 82 LYS HA 1 82 LYS QG . . 4.010 2.879 2.327 3.227 . 0 0 "[ . 1 . 2]" 1
366 1 82 LYS HA 1 83 VAL H . . 2.710 2.323 2.140 2.889 0.179 13 0 "[ . 1 . 2]" 1
367 1 82 LYS QB 1 83 VAL H . . 4.470 3.594 1.867 4.090 . 0 0 "[ . 1 . 2]" 1
368 1 83 VAL H 1 83 VAL HB . . 3.030 2.608 2.365 3.144 0.114 13 0 "[ . 1 . 2]" 1
369 1 83 VAL H 1 83 VAL QG . . 5.000 2.333 2.005 2.889 . 0 0 "[ . 1 . 2]" 1
370 1 83 VAL H 1 84 ALA H . 3.100 4.640 4.516 4.296 4.649 0.009 14 0 "[ . 1 . 2]" 1
371 1 83 VAL HA 1 83 VAL HB . . 2.970 2.830 2.423 3.039 0.069 19 0 "[ . 1 . 2]" 1
372 1 83 VAL HA 1 84 ALA H . . 3.080 2.216 2.090 2.320 . 0 0 "[ . 1 . 2]" 1
373 1 83 VAL HB 1 84 ALA H . 2.540 4.020 4.072 3.949 4.225 0.205 18 0 "[ . 1 . 2]" 1
374 1 83 VAL QG 1 84 ALA H . 2.360 5.640 2.430 2.169 2.843 0.191 14 0 "[ . 1 . 2]" 1
375 1 84 ALA H 1 84 ALA MB . 2.160 3.540 2.371 2.210 3.054 . 0 0 "[ . 1 . 2]" 1
376 1 84 ALA HA 1 85 THR H . . 2.450 2.331 2.180 2.494 0.044 1 0 "[ . 1 . 2]" 1
377 1 84 ALA MB 1 85 THR H . . 3.760 2.681 2.251 3.208 . 0 0 "[ . 1 . 2]" 1
378 1 85 THR H 1 85 THR HG1 . . 6.000 4.365 1.880 4.999 0.060 9 0 "[ . 1 . 2]" 1
379 1 85 THR H 1 85 THR MG . . 3.800 2.466 2.129 2.736 . 0 0 "[ . 1 . 2]" 1
380 1 85 THR H 1 88 VAL MG1 . 2.360 7.120 5.172 3.121 5.959 . 0 0 "[ . 1 . 2]" 1
381 1 85 THR H 1 88 VAL MG2 . 2.360 5.120 3.546 2.497 4.178 . 0 0 "[ . 1 . 2]" 1
382 1 87 LYS H 1 87 LYS HB2 . 2.240 3.370 2.453 2.232 3.521 0.151 9 0 "[ . 1 . 2]" 1
383 1 87 LYS H 1 87 LYS HB3 . 2.240 3.370 2.716 2.296 3.547 0.177 10 0 "[ . 1 . 2]" 1
384 1 87 LYS H 1 87 LYS HG2 . . 6.000 4.077 2.165 4.582 . 0 0 "[ . 1 . 2]" 1
385 1 87 LYS H 1 87 LYS HG3 . . 6.000 4.028 2.235 4.517 . 0 0 "[ . 1 . 2]" 1
386 1 87 LYS H 1 87 LYS QB . . 3.700 2.204 2.114 2.395 . 0 0 "[ . 1 . 2]" 1
387 1 87 LYS H 1 88 VAL H . 2.320 3.980 2.795 2.630 3.001 . 0 0 "[ . 1 . 2]" 1
388 1 87 LYS HA 1 87 LYS HB2 . . 2.900 2.566 2.361 3.024 0.124 10 0 "[ . 1 . 2]" 1
389 1 87 LYS HA 1 87 LYS HB3 . . 3.000 2.905 2.462 3.041 0.041 11 0 "[ . 1 . 2]" 1
390 1 87 LYS HA 1 90 GLU H . 2.820 4.230 3.117 2.839 3.437 . 0 0 "[ . 1 . 2]" 1
391 1 87 LYS HB2 1 88 VAL H . 2.570 4.080 3.941 2.768 4.184 0.104 1 0 "[ . 1 . 2]" 1
392 1 87 LYS HB3 1 88 VAL H . 2.570 4.080 3.336 2.931 4.080 . 0 0 "[ . 1 . 2]" 1
393 1 87 LYS QB 1 88 VAL H . 2.350 4.400 3.074 2.705 3.654 . 0 0 "[ . 1 . 2]" 1
394 1 87 LYS QB 1 88 VAL HA . . 6.690 4.354 4.052 4.750 . 0 0 "[ . 1 . 2]" 1
395 1 88 VAL H 1 88 VAL MG1 . . 4.850 3.506 2.026 3.778 . 0 0 "[ . 1 . 2]" 1
396 1 88 VAL H 1 88 VAL MG2 . . 4.850 2.107 1.969 2.339 . 0 0 "[ . 1 . 2]" 1
397 1 88 VAL H 1 89 VAL H . 2.540 3.460 2.828 2.716 2.994 . 0 0 "[ . 1 . 2]" 1
398 1 88 VAL H 1 91 LYS QG . . 5.200 4.469 4.072 4.807 . 0 0 "[ . 1 . 2]" 1
399 1 88 VAL HA 1 91 LYS H . 2.750 4.130 3.454 2.971 4.060 . 0 0 "[ . 1 . 2]" 1
400 1 88 VAL HA 1 91 LYS QB . . 6.690 3.217 2.253 4.571 . 0 0 "[ . 1 . 2]" 1
401 1 88 VAL HB 1 89 VAL H . . 6.000 2.935 2.385 3.998 . 0 0 "[ . 1 . 2]" 1
402 1 88 VAL QG 1 123 PRO QD . . 8.270 2.873 2.034 5.275 . 0 0 "[ . 1 . 2]" 1
403 1 89 VAL H 1 89 VAL HB . 2.140 3.210 2.491 2.354 2.592 . 0 0 "[ . 1 . 2]" 1
404 1 89 VAL H 1 89 VAL MG1 . . 7.020 3.697 2.388 3.790 . 0 0 "[ . 1 . 2]" 1
405 1 89 VAL H 1 89 VAL MG2 . . 7.020 2.178 2.014 3.741 . 0 0 "[ . 1 . 2]" 1
406 1 89 VAL H 1 90 GLU H . 2.720 3.700 2.717 2.561 2.836 0.159 8 0 "[ . 1 . 2]" 1
407 1 89 VAL HA 1 92 ILE H . . 6.000 3.819 3.222 4.977 . 0 0 "[ . 1 . 2]" 1
408 1 89 VAL MG1 1 90 GLU H . . 7.020 3.458 2.131 3.650 . 0 0 "[ . 1 . 2]" 1
409 1 89 VAL MG2 1 90 GLU H . . 7.020 3.917 3.752 4.033 . 0 0 "[ . 1 . 2]" 1
410 1 90 GLU H 1 90 GLU QG . . 3.720 2.186 2.068 2.725 . 0 0 "[ . 1 . 2]" 1
411 1 90 GLU H 1 91 LYS H . 2.490 3.730 2.740 2.536 3.074 . 0 0 "[ . 1 . 2]" 1
412 1 90 GLU HA 1 90 GLU HG2 . . 2.960 2.561 2.371 2.682 . 0 0 "[ . 1 . 2]" 1
413 1 90 GLU HA 1 90 GLU HG3 . . 2.960 3.023 2.842 3.499 0.539 14 1 "[ . 1 +. 2]" 1
414 1 90 GLU QB 1 91 LYS H . 2.300 4.330 2.889 2.372 3.921 . 0 0 "[ . 1 . 2]" 1
415 1 91 LYS H 1 91 LYS QD . 2.240 4.430 3.457 2.587 3.966 . 0 0 "[ . 1 . 2]" 1
416 1 91 LYS H 1 91 LYS QG . . 4.490 2.292 2.027 2.638 . 0 0 "[ . 1 . 2]" 1
417 1 91 LYS H 1 92 ILE H . . 6.000 2.830 2.478 3.178 . 0 0 "[ . 1 . 2]" 1
418 1 91 LYS HA 1 91 LYS QD . . 6.880 2.827 2.048 4.243 . 0 0 "[ . 1 . 2]" 1
419 1 91 LYS HA 1 94 ASP H . . 6.000 3.149 2.434 3.823 . 0 0 "[ . 1 . 2]" 1
420 1 91 LYS HA 1 94 ASP HB2 . . 6.000 2.804 2.397 3.294 . 0 0 "[ . 1 . 2]" 1
421 1 91 LYS HA 1 94 ASP HB3 . . 6.000 4.422 4.010 4.959 . 0 0 "[ . 1 . 2]" 1
422 1 91 LYS HA 1 95 TYR H . 2.750 4.120 3.918 3.258 4.284 0.164 14 0 "[ . 1 . 2]" 1
423 1 91 LYS QG 1 92 ILE H . . 4.880 4.145 3.724 4.483 . 0 0 "[ . 1 . 2]" 1
424 1 92 ILE H 1 128 ILE HB . . 6.000 5.698 5.206 6.197 0.197 6 0 "[ . 1 . 2]" 1
425 1 92 ILE H 1 128 ILE MG . 2.660 5.010 4.208 3.941 4.333 . 0 0 "[ . 1 . 2]" 1
426 1 92 ILE H 1 92 ILE HB . . 2.900 2.505 2.182 2.751 . 0 0 "[ . 1 . 2]" 1
427 1 92 ILE H 1 92 ILE QG . . 6.880 2.624 1.930 3.594 . 0 0 "[ . 1 . 2]" 1
428 1 92 ILE H 1 92 ILE MG . . 7.020 3.750 3.640 3.824 . 0 0 "[ . 1 . 2]" 1
429 1 92 ILE H 1 93 GLY H . . 6.000 2.775 2.461 3.136 . 0 0 "[ . 1 . 2]" 1
430 1 92 ILE HA 1 107 ILE MG . . 7.020 2.668 1.983 5.360 . 0 0 "[ . 1 . 2]" 1
431 1 92 ILE HB 1 93 GLY H . 2.150 3.230 2.584 2.184 3.011 . 0 0 "[ . 1 . 2]" 1
432 1 92 ILE MD 1 92 ILE MG . . 8.040 2.784 1.962 3.279 . 0 0 "[ . 1 . 2]" 1
433 1 93 GLY H 1 93 GLY HA2 . . 2.910 2.793 2.745 2.868 . 0 0 "[ . 1 . 2]" 1
434 1 93 GLY H 1 93 GLY HA3 . . 2.910 2.275 2.264 2.289 . 0 0 "[ . 1 . 2]" 1
435 1 93 GLY H 1 94 ASP H . 2.140 3.200 2.966 2.774 3.213 0.013 12 0 "[ . 1 . 2]" 1
436 1 94 ASP H 1 94 ASP HB2 . . 3.220 2.561 2.402 2.717 . 0 0 "[ . 1 . 2]" 1
437 1 94 ASP H 1 94 ASP HB3 . . 3.520 3.583 3.553 3.608 0.088 14 0 "[ . 1 . 2]" 1
438 1 94 ASP H 1 94 ASP QB . . 3.640 2.507 2.365 2.641 . 0 0 "[ . 1 . 2]" 1
439 1 94 ASP H 1 95 TYR H . 2.140 3.160 2.917 2.774 3.106 . 0 0 "[ . 1 . 2]" 1
440 1 94 ASP HA 1 97 ARG H . 2.300 3.450 3.433 3.137 3.541 0.091 8 0 "[ . 1 . 2]" 1
441 1 94 ASP HB2 1 95 TYR H . 2.300 3.540 2.524 2.321 2.785 . 0 0 "[ . 1 . 2]" 1
442 1 94 ASP HB3 1 95 TYR H . 2.300 3.540 3.575 3.457 3.653 0.113 12 0 "[ . 1 . 2]" 1
443 1 94 ASP QB 1 98 GLN HA . . 6.930 6.161 5.810 6.279 . 0 0 "[ . 1 . 2]" 1
444 1 95 TYR H 1 95 TYR HB2 . 2.190 3.430 2.458 2.311 2.592 . 0 0 "[ . 1 . 2]" 1
445 1 95 TYR H 1 95 TYR HB3 . 2.290 3.530 3.558 3.520 3.604 0.074 14 0 "[ . 1 . 2]" 1
446 1 95 TYR H 1 95 TYR QD . 2.370 5.690 2.908 2.525 3.315 . 0 0 "[ . 1 . 2]" 1
447 1 95 TYR H 1 95 TYR QE . 3.090 6.760 4.401 3.756 4.937 . 0 0 "[ . 1 . 2]" 1
448 1 95 TYR H 1 96 LYS H . 2.510 3.430 2.870 2.688 3.218 . 0 0 "[ . 1 . 2]" 1
449 1 95 TYR HA 1 95 TYR QD . . 8.130 2.231 2.084 2.474 . 0 0 "[ . 1 . 2]" 1
450 1 95 TYR HA 1 98 GLN H . 2.830 4.240 3.334 2.742 4.275 0.088 10 0 "[ . 1 . 2]" 1
451 1 95 TYR QB 1 96 LYS H . . 5.060 2.844 2.198 3.742 . 0 0 "[ . 1 . 2]" 1
452 1 95 TYR QE 1 107 ILE MG . . 6.160 4.060 3.341 4.773 . 0 0 "[ . 1 . 2]" 1
453 1 95 TYR QE 1 111 LEU H . 2.670 6.130 4.025 2.971 5.660 . 0 0 "[ . 1 . 2]" 1
454 1 96 LYS H 1 96 LYS HB2 . . 2.920 2.390 2.076 3.488 0.568 19 1 "[ . 1 . +2]" 1
455 1 96 LYS H 1 96 LYS QD . 2.200 4.180 3.359 1.961 4.070 0.239 19 0 "[ . 1 . 2]" 1
456 1 96 LYS H 1 96 LYS QG . 2.500 4.930 3.244 2.308 4.074 0.192 19 0 "[ . 1 . 2]" 1
457 1 96 LYS HA 1 96 LYS QD . 2.110 4.040 2.465 2.047 4.002 0.063 11 0 "[ . 1 . 2]" 1
458 1 96 LYS QD 1 107 ILE MD . . 4.770 2.663 1.934 3.573 . 0 0 "[ . 1 . 2]" 1
459 1 96 LYS QG 1 107 ILE MD . . 7.900 3.755 2.024 4.689 . 0 0 "[ . 1 . 2]" 1
460 1 97 ARG H 1 97 ARG HB2 . . 3.040 2.465 2.242 3.464 0.424 18 0 "[ . 1 . 2]" 1
461 1 97 ARG H 1 97 ARG HG2 . 2.240 3.690 3.564 2.433 3.825 0.135 6 0 "[ . 1 . 2]" 1
462 1 97 ARG H 1 97 ARG HG3 . 2.240 3.690 2.505 2.228 3.745 0.055 18 0 "[ . 1 . 2]" 1
463 1 97 ARG H 1 97 ARG QD . 2.720 4.960 3.627 3.403 4.103 . 0 0 "[ . 1 . 2]" 1
464 1 97 ARG H 1 97 ARG QG . . 3.990 2.361 2.204 2.542 . 0 0 "[ . 1 . 2]" 1
465 1 97 ARG H 1 98 GLN H . 2.080 3.120 2.660 2.291 2.930 . 0 0 "[ . 1 . 2]" 1
466 1 97 ARG HA 1 97 ARG HG2 . . 3.150 2.659 2.535 3.559 0.409 18 0 "[ . 1 . 2]" 1
467 1 97 ARG HA 1 97 ARG HG3 . . 3.150 2.934 2.560 3.548 0.398 8 0 "[ . 1 . 2]" 1
468 1 97 ARG HA 1 97 ARG QG . . 3.620 2.458 2.284 3.148 . 0 0 "[ . 1 . 2]" 1
469 1 97 ARG QB 1 98 GLN H . . 4.440 2.594 2.293 3.652 . 0 0 "[ . 1 . 2]" 1
470 1 97 ARG QG 1 98 GLN H . . 5.240 4.068 2.311 4.385 . 0 0 "[ . 1 . 2]" 1
471 1 98 GLN H 1 98 GLN HG2 . 2.440 4.050 3.068 2.298 3.879 0.142 8 0 "[ . 1 . 2]" 1
472 1 98 GLN H 1 98 GLN HG3 . 2.440 4.050 3.067 2.197 4.097 0.243 17 0 "[ . 1 . 2]" 1
473 1 98 GLN H 1 98 GLN QB . 2.110 4.040 2.365 2.262 2.636 . 0 0 "[ . 1 . 2]" 1
474 1 98 GLN H 1 98 GLN QG . 2.270 4.290 2.390 2.177 2.855 0.093 17 0 "[ . 1 . 2]" 1
475 1 98 GLN H 1 99 ASN H . 2.140 3.220 2.729 2.553 2.977 . 0 0 "[ . 1 . 2]" 1
476 1 98 GLN HE22 1 98 GLN HG2 . . 3.800 3.744 3.502 3.998 0.198 9 0 "[ . 1 . 2]" 1
477 1 98 GLN HE22 1 98 GLN HG3 . . 3.800 3.641 3.488 3.966 0.166 19 0 "[ . 1 . 2]" 1
478 1 98 GLN QB 1 98 GLN HE21 . 3.040 5.680 3.856 3.244 4.101 . 0 0 "[ . 1 . 2]" 1
479 1 98 GLN QB 1 98 GLN HE22 . 3.040 5.680 4.217 3.845 4.495 . 0 0 "[ . 1 . 2]" 1
480 1 98 GLN QB 1 98 GLN QE . 2.770 5.890 3.568 3.082 3.793 . 0 0 "[ . 1 . 2]" 1
481 1 98 GLN QB 1 99 ASN H . 2.190 4.160 2.619 2.052 3.763 0.138 2 0 "[ . 1 . 2]" 1
482 1 99 ASN H 1 100 PRO HA . . 6.000 5.023 4.373 5.733 . 0 0 "[ . 1 . 2]" 1
483 1 99 ASN H 1 100 PRO QD . . 5.330 3.923 3.116 4.461 . 0 0 "[ . 1 . 2]" 1
484 1 99 ASN H 1 99 ASN HB2 . 2.300 3.350 2.744 2.163 3.604 0.254 7 0 "[ . 1 . 2]" 1
485 1 99 ASN H 1 99 ASN HB3 . 2.300 3.350 3.096 2.310 3.613 0.263 12 0 "[ . 1 . 2]" 1
486 1 99 ASN H 1 99 ASN QD . . 5.560 4.348 3.586 4.967 . 0 0 "[ . 1 . 2]" 1
487 1 99 ASN HA 1 100 PRO QD . . 3.820 2.166 2.065 2.424 . 0 0 "[ . 1 . 2]" 1
488 1 99 ASN HB2 1 99 ASN HD21 . 2.230 3.640 2.556 2.213 3.444 0.017 4 0 "[ . 1 . 2]" 1
489 1 99 ASN HB2 1 99 ASN HD22 . 2.230 3.640 3.640 3.505 3.983 0.343 5 0 "[ . 1 . 2]" 1
490 1 99 ASN HB3 1 99 ASN HD21 . 2.230 3.640 2.676 2.205 3.361 0.025 2 0 "[ . 1 . 2]" 1
491 1 99 ASN HB3 1 99 ASN HD22 . 2.230 3.740 3.682 3.505 3.935 0.195 7 0 "[ . 1 . 2]" 1
492 1 99 ASN QD 1 102 MET QB . . 5.630 3.064 1.874 4.450 . 0 0 "[ . 1 . 2]" 1
493 1 101 THR H 1 101 THR HB . 2.250 3.680 3.528 2.123 3.889 0.209 20 0 "[ . 1 . 2]" 1
494 1 101 THR H 1 101 THR HG1 . 2.300 3.440 3.127 2.502 3.795 0.355 7 0 "[ . 1 . 2]" 1
495 1 101 THR H 1 101 THR MG . 2.470 3.700 2.412 2.033 3.019 0.437 10 0 "[ . 1 . 2]" 1
496 1 101 THR H 1 102 MET H . 2.480 3.680 3.092 2.653 3.758 0.078 13 0 "[ . 1 . 2]" 1
497 1 102 MET H 1 102 MET HB2 . 2.180 3.050 2.453 2.201 3.452 0.402 20 0 "[ . 1 . 2]" 1
498 1 102 MET H 1 102 MET HB3 . 2.180 3.500 3.529 2.233 3.912 0.412 17 0 "[ . 1 . 2]" 1
499 1 102 MET H 1 102 MET QB . . 3.540 2.352 2.180 3.074 . 0 0 "[ . 1 . 2]" 1
500 1 102 MET H 1 102 MET QG . . 3.900 2.690 2.282 3.318 . 0 0 "[ . 1 . 2]" 1
501 1 102 MET HA 1 102 MET HG2 . 2.190 3.380 2.600 2.281 3.683 0.303 20 0 "[ . 1 . 2]" 1
502 1 102 MET HA 1 102 MET QG . . 3.840 2.490 2.169 3.285 . 0 0 "[ . 1 . 2]" 1
503 1 102 MET HA 1 103 PHE H . . 2.580 2.366 2.053 2.627 0.047 17 0 "[ . 1 . 2]" 1
504 1 102 MET HG2 1 103 PHE H . 2.880 4.380 4.118 3.501 4.575 0.195 9 0 "[ . 1 . 2]" 1
505 1 102 MET HG3 1 103 PHE H . 2.880 4.380 4.468 3.332 4.625 0.245 14 0 "[ . 1 . 2]" 1
506 1 102 MET QB 1 103 PHE H . . 4.890 2.384 1.893 3.369 . 0 0 "[ . 1 . 2]" 1
507 1 102 MET ME 1 106 GLU H . 2.700 5.170 4.235 3.670 4.668 . 0 0 "[ . 1 . 2]" 1
508 1 103 PHE H 1 103 PHE QD . . 8.130 2.931 2.215 4.208 . 0 0 "[ . 1 . 2]" 1
509 1 103 PHE HA 1 103 PHE QD . . 8.130 2.732 2.302 3.059 . 0 0 "[ . 1 . 2]" 1
510 1 103 PHE QB 1 105 TRP H . . 5.150 2.990 2.485 3.547 . 0 0 "[ . 1 . 2]" 1
511 1 104 ALA H 1 104 ALA MB . 2.220 4.350 2.190 2.165 2.231 0.055 17 0 "[ . 1 . 2]" 1
512 1 104 ALA HA 1 107 ILE H . 2.560 3.990 3.509 2.984 3.925 . 0 0 "[ . 1 . 2]" 1
513 1 104 ALA HA 1 107 ILE HB . 2.020 3.120 2.704 2.252 3.202 0.082 9 0 "[ . 1 . 2]" 1
514 1 104 ALA HA 1 107 ILE MD . . 7.020 4.156 2.432 5.356 . 0 0 "[ . 1 . 2]" 1
515 1 104 ALA HA 1 128 ILE MG . . 7.020 5.522 4.672 5.903 . 0 0 "[ . 1 . 2]" 1
516 1 104 ALA MB 1 105 TRP H . 2.440 4.110 2.589 2.233 2.967 0.207 11 0 "[ . 1 . 2]" 1
517 1 104 ALA MB 1 125 VAL QG . . 9.040 2.223 1.874 3.297 . 0 0 "[ . 1 . 2]" 1
518 1 104 ALA MB 1 128 ILE MD . . 8.040 2.681 2.064 5.391 . 0 0 "[ . 1 . 2]" 1
519 1 104 ALA MB 1 128 ILE MG . . 8.040 4.668 4.215 5.218 . 0 0 "[ . 1 . 2]" 1
520 1 105 TRP H 1 105 TRP HD1 . 2.500 3.740 3.111 2.372 3.989 0.249 13 0 "[ . 1 . 2]" 1
521 1 105 TRP H 1 105 TRP HZ2 . . 6.000 5.809 5.270 6.121 0.121 10 0 "[ . 1 . 2]" 1
522 1 105 TRP H 1 105 TRP QB . 2.460 4.520 2.604 2.513 2.781 . 0 0 "[ . 1 . 2]" 1
523 1 105 TRP H 1 106 GLU H . 2.610 3.990 2.832 2.525 3.069 0.085 4 0 "[ . 1 . 2]" 1
524 1 105 TRP HA 1 108 ARG QB . 2.120 4.060 3.068 2.321 3.629 . 0 0 "[ . 1 . 2]" 1
525 1 105 TRP HA 1 125 VAL QG . . 5.050 2.678 2.054 3.693 . 0 0 "[ . 1 . 2]" 1
526 1 105 TRP QB 1 125 VAL QG . . 6.220 3.454 2.201 4.153 . 0 0 "[ . 1 . 2]" 1
527 1 106 GLU H 1 107 ILE H . 2.390 3.310 2.608 2.364 2.859 0.026 1 0 "[ . 1 . 2]" 1
528 1 106 GLU H 1 107 ILE QG . . 5.240 4.048 3.752 4.320 . 0 0 "[ . 1 . 2]" 1
529 1 106 GLU HA 1 109 ASP H . 3.050 4.570 3.753 3.179 4.200 . 0 0 "[ . 1 . 2]" 1
530 1 106 GLU QB 1 107 ILE H . . 4.480 2.498 2.237 2.873 . 0 0 "[ . 1 . 2]" 1
531 1 106 GLU QB 1 107 ILE MD . . 5.050 3.419 2.967 3.807 . 0 0 "[ . 1 . 2]" 1
532 1 107 ILE H 1 107 ILE HB . 2.150 3.230 2.499 2.185 2.813 . 0 0 "[ . 1 . 2]" 1
533 1 107 ILE H 1 107 ILE HG12 . 2.010 3.740 2.540 1.939 3.719 0.071 6 0 "[ . 1 . 2]" 1
534 1 107 ILE H 1 107 ILE HG13 . 2.010 3.740 3.159 2.031 3.692 . 0 0 "[ . 1 . 2]" 1
535 1 107 ILE H 1 107 ILE MD . 2.290 3.970 3.134 2.751 3.386 . 0 0 "[ . 1 . 2]" 1
536 1 107 ILE H 1 107 ILE QG . . 3.770 2.117 1.930 2.350 0.000 6 0 "[ . 1 . 2]" 1
537 1 107 ILE H 1 107 ILE MG . . 7.020 3.738 3.656 3.804 . 0 0 "[ . 1 . 2]" 1
538 1 107 ILE H 1 108 ARG H . 2.290 3.440 2.769 2.622 2.962 . 0 0 "[ . 1 . 2]" 1
539 1 107 ILE HA 1 110 ARG H . 2.640 3.960 3.068 2.602 3.598 0.038 19 0 "[ . 1 . 2]" 1
540 1 107 ILE HB 1 108 ARG H . 2.510 3.770 2.927 2.542 3.421 . 0 0 "[ . 1 . 2]" 1
541 1 107 ILE MD 1 107 ILE MG . . 8.040 2.128 2.028 2.305 . 0 0 "[ . 1 . 2]" 1
542 1 107 ILE MG 1 110 ARG QD . . 7.710 4.324 3.085 5.615 . 0 0 "[ . 1 . 2]" 1
543 1 108 ARG H 1 108 ARG QB . . 4.100 2.204 2.072 2.276 . 0 0 "[ . 1 . 2]" 1
544 1 108 ARG H 1 108 ARG QD . 2.990 5.370 4.433 3.232 4.761 . 0 0 "[ . 1 . 2]" 1
545 1 108 ARG H 1 108 ARG QG . 2.460 4.860 3.963 3.900 4.065 . 0 0 "[ . 1 . 2]" 1
546 1 108 ARG H 1 109 ASP H . 2.410 3.620 2.833 2.653 2.977 . 0 0 "[ . 1 . 2]" 1
547 1 108 ARG H 1 109 ASP QB . . 6.690 4.837 4.574 5.144 . 0 0 "[ . 1 . 2]" 1
548 1 108 ARG HA 1 111 LEU QB . . 6.690 3.844 2.993 4.801 . 0 0 "[ . 1 . 2]" 1
549 1 108 ARG HA 1 111 LEU QD . 2.130 5.290 2.614 2.175 3.543 . 0 0 "[ . 1 . 2]" 1
550 1 108 ARG QB 1 108 ARG QD . 2.100 5.050 2.258 2.091 2.872 0.009 11 0 "[ . 1 . 2]" 1
551 1 108 ARG QG 1 109 ASP H . 2.540 4.690 3.563 2.980 4.203 . 0 0 "[ . 1 . 2]" 1
552 1 109 ASP H 1 110 ARG H . 2.370 3.330 2.695 2.562 2.845 . 0 0 "[ . 1 . 2]" 1
553 1 109 ASP HA 1 109 ASP HB2 . . 2.870 2.984 2.431 3.020 0.150 9 0 "[ . 1 . 2]" 1
554 1 109 ASP HA 1 109 ASP HB3 . . 2.870 2.456 2.406 2.527 . 0 0 "[ . 1 . 2]" 1
555 1 109 ASP HA 1 112 LEU H . 2.850 4.280 3.158 2.804 3.688 0.046 12 0 "[ . 1 . 2]" 1
556 1 109 ASP HB2 1 110 ARG H . . 6.000 3.151 2.642 4.099 . 0 0 "[ . 1 . 2]" 1
557 1 109 ASP HB3 1 110 ARG H . . 6.000 4.024 3.608 4.377 . 0 0 "[ . 1 . 2]" 1
558 1 110 ARG H 1 110 ARG HB2 . 2.150 3.220 2.349 2.073 2.706 0.077 11 0 "[ . 1 . 2]" 1
559 1 110 ARG H 1 110 ARG HB3 . 2.150 3.220 2.747 2.466 3.449 0.229 5 0 "[ . 1 . 2]" 1
560 1 110 ARG H 1 111 LEU H . 2.350 3.290 2.774 2.468 2.895 . 0 0 "[ . 1 . 2]" 1
561 1 110 ARG HA 1 113 ALA MB . . 7.020 2.562 2.206 3.595 . 0 0 "[ . 1 . 2]" 1
562 1 110 ARG QB 1 111 LEU H . . 4.620 2.753 2.368 3.759 . 0 0 "[ . 1 . 2]" 1
563 1 111 LEU H 1 111 LEU HB2 . 2.160 3.830 2.398 2.315 2.499 . 0 0 "[ . 1 . 2]" 1
564 1 111 LEU H 1 111 LEU HB3 . 2.160 3.830 3.583 3.541 3.675 . 0 0 "[ . 1 . 2]" 1
565 1 111 LEU H 1 111 LEU HG . 2.370 3.130 2.450 2.190 3.255 0.180 5 0 "[ . 1 . 2]" 1
566 1 111 LEU H 1 111 LEU QD . 2.480 5.820 3.008 1.907 3.592 0.573 18 1 "[ . 1 . + 2]" 1
567 1 111 LEU H 1 112 LEU H . 2.430 3.480 2.694 2.014 2.896 0.416 14 0 "[ . 1 . 2]" 1
568 1 111 LEU HA 1 111 LEU HG . . 2.650 2.692 2.213 2.852 0.202 5 0 "[ . 1 . 2]" 1
569 1 111 LEU HA 1 111 LEU QD . . 8.100 2.275 2.152 3.007 . 0 0 "[ . 1 . 2]" 1
570 1 111 LEU HA 1 116 VAL HB . 2.090 3.130 2.861 2.358 3.278 0.148 18 0 "[ . 1 . 2]" 1
571 1 111 LEU HA 1 116 VAL QG . . 8.020 2.810 2.430 3.282 . 0 0 "[ . 1 . 2]" 1
572 1 111 LEU HB2 1 112 LEU H . 2.530 4.150 2.599 2.465 2.769 0.065 5 0 "[ . 1 . 2]" 1
573 1 111 LEU HB3 1 112 LEU H . 2.530 4.150 3.529 3.358 3.721 . 0 0 "[ . 1 . 2]" 1
574 1 111 LEU HG 1 112 LEU H . . 6.000 4.505 4.280 4.851 . 0 0 "[ . 1 . 2]" 1
575 1 111 LEU QB 1 112 LEU H . 2.340 4.390 2.536 2.419 2.698 . 0 0 "[ . 1 . 2]" 1
576 1 112 LEU H 1 112 LEU HB2 . 2.450 3.730 2.584 2.506 2.668 . 0 0 "[ . 1 . 2]" 1
577 1 112 LEU H 1 112 LEU HB3 . 2.450 3.730 3.604 3.576 3.629 . 0 0 "[ . 1 . 2]" 1
578 1 112 LEU H 1 112 LEU HG . 2.300 3.260 2.158 2.088 2.333 0.212 11 0 "[ . 1 . 2]" 1
579 1 112 LEU H 1 112 LEU QD . . 6.070 2.877 2.783 3.037 . 0 0 "[ . 1 . 2]" 1
580 1 112 LEU H 1 113 ALA H . 2.420 3.590 2.639 2.431 2.900 . 0 0 "[ . 1 . 2]" 1
581 1 112 LEU HA 1 116 VAL QG . . 8.020 4.944 4.531 5.299 . 0 0 "[ . 1 . 2]" 1
582 1 112 LEU HA 1 122 VAL QG . . 8.100 4.783 3.823 5.913 . 0 0 "[ . 1 . 2]" 1
583 1 112 LEU HG 1 113 ALA H . 3.030 4.540 4.140 4.009 4.282 . 0 0 "[ . 1 . 2]" 1
584 1 112 LEU QB 1 113 ALA H . . 4.060 2.493 2.176 2.747 . 0 0 "[ . 1 . 2]" 1
585 1 112 LEU QD 1 119 ASN H . . 5.470 3.198 2.670 4.134 . 0 0 "[ . 1 . 2]" 1
586 1 112 LEU QD 1 122 VAL H . . 5.790 3.764 3.495 4.098 . 0 0 "[ . 1 . 2]" 1
587 1 112 LEU QD 1 122 VAL HB . . 8.020 2.885 2.139 5.890 . 0 0 "[ . 1 . 2]" 1
588 1 113 ALA H 1 114 GLU H . 2.630 3.500 2.789 2.615 2.965 0.015 14 0 "[ . 1 . 2]" 1
589 1 113 ALA MB 1 114 GLU H . 2.120 4.200 2.549 2.323 2.861 . 0 0 "[ . 1 . 2]" 1
590 1 113 ALA MB 1 115 GLY H . 2.640 5.340 4.367 4.183 4.505 . 0 0 "[ . 1 . 2]" 1
591 1 114 GLU H 1 114 GLU HB2 . 2.250 3.370 2.419 2.212 2.587 0.038 13 0 "[ . 1 . 2]" 1
592 1 114 GLU H 1 114 GLU HB3 . 2.050 3.570 2.790 2.363 3.568 . 0 0 "[ . 1 . 2]" 1
593 1 114 GLU H 1 114 GLU QB . . 3.780 2.219 2.158 2.331 . 0 0 "[ . 1 . 2]" 1
594 1 114 GLU H 1 114 GLU QG . . 6.880 3.504 2.288 4.047 . 0 0 "[ . 1 . 2]" 1
595 1 114 GLU H 1 115 GLY H . 2.230 3.250 2.548 2.450 2.679 . 0 0 "[ . 1 . 2]" 1
596 1 114 GLU H 1 116 VAL QG . . 6.200 4.022 3.849 4.274 . 0 0 "[ . 1 . 2]" 1
597 1 114 GLU HA 1 115 GLY H . 2.350 3.520 3.526 3.436 3.568 0.048 13 0 "[ . 1 . 2]" 1
598 1 114 GLU QB 1 115 GLY H . . 4.770 2.883 2.439 3.287 . 0 0 "[ . 1 . 2]" 1
599 1 114 GLU QG 1 115 GLY H . . 4.900 4.097 3.656 4.423 . 0 0 "[ . 1 . 2]" 1
600 1 115 GLY H 1 116 VAL H . . 3.240 2.352 2.129 2.570 . 0 0 "[ . 1 . 2]" 1
601 1 115 GLY H 1 116 VAL MG2 . 2.690 5.180 3.406 3.144 3.953 . 0 0 "[ . 1 . 2]" 1
602 1 115 GLY H 1 116 VAL QG . . 5.740 3.373 3.123 3.880 . 0 0 "[ . 1 . 2]" 1
603 1 116 VAL H 1 116 VAL HB . . 2.730 2.407 2.263 2.526 . 0 0 "[ . 1 . 2]" 1
604 1 116 VAL H 1 116 VAL MG1 . . 7.020 3.762 3.697 3.809 . 0 0 "[ . 1 . 2]" 1
605 1 116 VAL H 1 116 VAL MG2 . . 4.440 2.445 2.089 2.723 . 0 0 "[ . 1 . 2]" 1
606 1 116 VAL H 1 117 CYS H . 2.170 2.980 2.291 2.087 2.564 0.083 14 0 "[ . 1 . 2]" 1
607 1 116 VAL HA 1 117 CYS H . 2.750 3.540 3.576 3.534 3.591 0.051 13 0 "[ . 1 . 2]" 1
608 1 116 VAL HB 1 117 CYS H . 2.340 3.130 2.569 2.194 3.031 0.146 6 0 "[ . 1 . 2]" 1
609 1 116 VAL MG1 1 117 CYS H . . 4.810 3.397 3.090 3.653 . 0 0 "[ . 1 . 2]" 1
610 1 116 VAL MG2 1 117 CYS H . 2.530 4.810 3.857 3.614 4.096 . 0 0 "[ . 1 . 2]" 1
611 1 116 VAL QG 1 117 CYS H . . 4.990 3.181 2.956 3.411 . 0 0 "[ . 1 . 2]" 1
612 1 112 LEU HA 1 117 CYS H . 2.770 4.160 3.511 3.112 3.997 . 0 0 "[ . 1 . 2]" 1
613 1 117 CYS HA 1 118 ASP H . . 2.720 2.414 2.217 2.728 0.008 6 0 "[ . 1 . 2]" 1
614 1 117 CYS HG 1 122 VAL H . 2.670 4.010 3.625 2.560 4.140 0.130 14 0 "[ . 1 . 2]" 1
615 1 117 CYS QB 1 118 ASP H . . 4.510 2.591 1.973 3.693 . 0 0 "[ . 1 . 2]" 1
616 1 117 CYS QB 1 122 VAL H . 2.610 4.790 3.545 2.415 4.315 0.195 16 0 "[ . 1 . 2]" 1
617 1 118 ASP H 1 121 THR H . . 6.000 4.108 3.345 5.877 . 0 0 "[ . 1 . 2]" 1
618 1 118 ASP H 1 121 THR MG . 2.860 5.310 3.458 2.050 4.043 0.810 2 1 "[ + . 1 . 2]" 1
619 1 118 ASP H 1 122 VAL H . . 6.000 4.118 3.046 6.155 0.155 18 0 "[ . 1 . 2]" 1
620 1 118 ASP HB3 1 119 ASN H . . 6.000 3.161 2.139 3.989 . 0 0 "[ . 1 . 2]" 1
621 1 119 ASN H 1 119 ASN QB . 2.180 4.150 2.341 2.153 2.721 0.027 14 0 "[ . 1 . 2]" 1
622 1 119 ASN H 1 120 ASP H . 2.590 3.710 2.941 2.259 3.283 0.331 6 0 "[ . 1 . 2]" 1
623 1 120 ASP H 1 121 THR H . . 6.000 2.507 2.203 4.174 . 0 0 "[ . 1 . 2]" 1
624 1 120 ASP H 1 121 THR HA . 2.880 4.870 4.928 4.772 5.025 0.155 16 0 "[ . 1 . 2]" 1
625 1 120 ASP H 1 121 THR MG . 2.430 4.660 3.581 3.222 3.782 . 0 0 "[ . 1 . 2]" 1
626 1 120 ASP H 1 122 VAL H . . 6.000 4.146 3.713 6.024 0.024 2 0 "[ . 1 . 2]" 1
627 1 120 ASP HA 1 120 ASP HB2 . . 2.930 2.756 2.376 3.037 0.107 6 0 "[ . 1 . 2]" 1
628 1 120 ASP HA 1 120 ASP HB3 . . 2.930 2.630 2.257 3.033 0.103 5 0 "[ . 1 . 2]" 1
629 1 120 ASP HB2 1 121 THR H . 2.360 3.720 3.031 2.383 3.939 0.219 16 0 "[ . 1 . 2]" 1
630 1 120 ASP HB3 1 121 THR H . 2.360 3.720 3.313 2.334 4.177 0.457 16 0 "[ . 1 . 2]" 1
631 1 120 ASP QB 1 121 THR H . 2.150 3.990 2.555 2.312 3.604 . 0 0 "[ . 1 . 2]" 1
632 1 121 THR H 1 121 THR HG1 . 2.360 3.540 2.453 1.992 3.403 0.368 14 0 "[ . 1 . 2]" 1
633 1 121 THR H 1 121 THR MG . 2.040 4.090 2.253 1.974 3.414 0.066 9 0 "[ . 1 . 2]" 1
634 1 121 THR H 1 122 VAL QG . . 5.940 3.703 2.429 4.165 . 0 0 "[ . 1 . 2]" 1
635 1 121 THR HA 1 121 THR MG . . 3.520 2.375 2.298 2.409 . 0 0 "[ . 1 . 2]" 1
636 1 121 THR MG 1 122 VAL H . 2.570 4.870 4.013 3.732 4.193 . 0 0 "[ . 1 . 2]" 1
637 1 122 VAL H 1 122 VAL MG1 . . 4.180 2.228 1.916 2.507 . 0 0 "[ . 1 . 2]" 1
638 1 122 VAL H 1 122 VAL MG2 . . 7.020 3.388 2.015 3.802 . 0 0 "[ . 1 . 2]" 1
639 1 122 VAL QG 1 123 PRO QD . . 6.170 2.281 2.039 3.029 . 0 0 "[ . 1 . 2]" 1
640 1 123 PRO HA 1 124 SER H . . 2.520 2.334 2.167 2.557 0.037 18 0 "[ . 1 . 2]" 1
641 1 123 PRO HB2 1 124 SER H . . 3.610 2.768 2.133 3.195 . 0 0 "[ . 1 . 2]" 1
642 1 123 PRO HB3 1 124 SER H . . 3.610 3.563 3.260 3.728 0.118 15 0 "[ . 1 . 2]" 1
643 1 123 PRO QB 1 124 SER H . . 3.850 2.671 2.107 3.022 . 0 0 "[ . 1 . 2]" 1
644 1 124 SER H 1 124 SER QB . . 3.860 2.361 2.221 2.560 . 0 0 "[ . 1 . 2]" 1
645 1 124 SER H 1 127 SER QB . 2.520 4.660 3.102 2.184 4.147 0.336 16 0 "[ . 1 . 2]" 1
646 1 124 SER HA 1 125 VAL H . 2.280 2.760 2.235 2.153 2.378 0.127 18 0 "[ . 1 . 2]" 1
647 1 124 SER QB 1 125 VAL H . . 5.030 2.931 2.437 3.537 . 0 0 "[ . 1 . 2]" 1
648 1 125 VAL H 1 125 VAL HB . 2.390 2.940 2.441 2.281 2.549 0.109 11 0 "[ . 1 . 2]" 1
649 1 125 VAL H 1 125 VAL MG1 . . 7.020 3.106 2.057 3.785 . 0 0 "[ . 1 . 2]" 1
650 1 125 VAL H 1 125 VAL MG2 . . 7.020 2.771 1.969 3.760 . 0 0 "[ . 1 . 2]" 1
651 1 125 VAL H 1 126 SER H . 2.610 4.000 2.684 2.450 2.821 0.160 12 0 "[ . 1 . 2]" 1
652 1 125 VAL HA 1 128 ILE MD . . 7.020 2.510 2.118 5.731 . 0 0 "[ . 1 . 2]" 1
653 1 125 VAL HB 1 126 SER H . . 6.000 3.158 2.353 4.064 . 0 0 "[ . 1 . 2]" 1
654 1 125 VAL MG1 1 126 SER H . . 7.020 2.974 2.116 3.604 . 0 0 "[ . 1 . 2]" 1
655 1 125 VAL MG2 1 126 SER H . . 7.020 3.849 3.582 4.045 . 0 0 "[ . 1 . 2]" 1
656 1 125 VAL QG 1 129 ASN QD . . 8.960 4.886 4.223 5.570 . 0 0 "[ . 1 . 2]" 1
657 1 126 SER H 1 127 SER H . 2.620 4.090 2.750 2.613 2.923 0.007 18 0 "[ . 1 . 2]" 1
658 1 126 SER HA 1 129 ASN H . 2.690 4.040 3.821 3.441 4.103 0.063 9 0 "[ . 1 . 2]" 1
659 1 126 SER HA 1 129 ASN QB . . 4.010 2.632 2.229 2.957 . 0 0 "[ . 1 . 2]" 1
660 1 127 SER H 1 128 ILE H . 2.500 3.760 2.719 2.417 3.109 0.083 17 0 "[ . 1 . 2]" 1
661 1 127 SER H 1 128 ILE MD . 2.940 5.980 5.022 4.668 5.130 . 0 0 "[ . 1 . 2]" 1
662 1 127 SER QB 1 128 ILE H . 2.820 5.110 2.604 2.191 3.310 0.629 20 6 "[ . *1- ** *+]" 1
663 1 128 ILE H 1 128 ILE MD . 2.360 4.560 3.510 2.536 3.724 . 0 0 "[ . 1 . 2]" 1
664 1 128 ILE H 1 128 ILE QG . . 4.510 2.049 1.906 2.272 . 0 0 "[ . 1 . 2]" 1
665 1 128 ILE H 1 128 ILE MG . . 7.020 2.439 2.060 3.807 . 0 0 "[ . 1 . 2]" 1
666 1 128 ILE H 1 129 ASN H . 2.580 3.720 2.757 2.185 3.060 0.395 5 0 "[ . 1 . 2]" 1
667 1 128 ILE HA 1 128 ILE MD . . 7.020 4.080 2.237 4.230 . 0 0 "[ . 1 . 2]" 1
668 1 128 ILE HA 1 131 ILE H . 2.650 3.980 3.604 3.216 3.989 0.009 17 0 "[ . 1 . 2]" 1
669 1 128 ILE HA 1 131 ILE HB . . 6.000 3.367 2.305 4.196 . 0 0 "[ . 1 . 2]" 1
670 1 128 ILE HA 1 131 ILE MD . . 7.020 2.978 2.002 3.957 . 0 0 "[ . 1 . 2]" 1
671 1 128 ILE HA 1 132 ILE MD . . 7.020 4.976 3.676 5.783 . 0 0 "[ . 1 . 2]" 1
672 1 128 ILE HB 1 129 ASN H . 2.290 3.680 3.717 3.092 3.840 0.160 7 0 "[ . 1 . 2]" 1
673 1 128 ILE MD 1 129 ASN H . 2.760 5.160 3.874 2.488 4.425 0.272 11 0 "[ . 1 . 2]" 1
674 1 128 ILE MD 1 128 ILE MG . . 8.040 2.113 1.951 3.104 . 0 0 "[ . 1 . 2]" 1
675 1 128 ILE MG 1 129 ASN H . 2.550 5.040 4.099 3.920 4.355 . 0 0 "[ . 1 . 2]" 1
676 1 129 ASN H 1 129 ASN HB2 . 2.170 3.000 2.530 2.419 2.665 . 0 0 "[ . 1 . 2]" 1
677 1 129 ASN H 1 129 ASN HB3 . 2.170 3.000 2.501 2.397 2.601 . 0 0 "[ . 1 . 2]" 1
678 1 129 ASN H 1 129 ASN QD . . 5.520 4.377 4.268 4.553 . 0 0 "[ . 1 . 2]" 1
679 1 129 ASN H 1 130 ARG H . 2.400 3.570 2.880 2.736 3.033 . 0 0 "[ . 1 . 2]" 1
680 1 129 ASN HB2 1 130 ARG H . 2.490 3.840 3.853 3.735 4.022 0.182 2 0 "[ . 1 . 2]" 1
681 1 129 ASN HB3 1 130 ARG H . 2.490 3.840 2.466 2.276 2.885 0.214 9 0 "[ . 1 . 2]" 1
682 1 129 ASN QB 1 130 ARG H . . 4.250 2.439 2.257 2.824 . 0 0 "[ . 1 . 2]" 1
683 1 130 ARG H 1 130 ARG HG2 . 2.430 4.100 2.888 2.258 3.738 0.172 5 0 "[ . 1 . 2]" 1
684 1 130 ARG H 1 130 ARG HG3 . 2.430 4.100 3.086 2.100 4.204 0.330 8 0 "[ . 1 . 2]" 1
685 1 130 ARG H 1 130 ARG QD . 3.120 5.560 3.949 3.593 4.436 . 0 0 "[ . 1 . 2]" 1
686 1 130 ARG H 1 130 ARG QG . 2.280 4.290 2.390 2.079 3.015 0.201 8 0 "[ . 1 . 2]" 1
687 1 130 ARG H 1 131 ILE H . 2.350 3.330 2.889 2.775 3.049 . 0 0 "[ . 1 . 2]" 1
688 1 130 ARG H 1 131 ILE HB . . 6.000 5.204 4.665 5.612 . 0 0 "[ . 1 . 2]" 1
689 1 130 ARG HA 1 130 ARG QD . . 6.880 3.526 2.148 4.530 . 0 0 "[ . 1 . 2]" 1
690 1 130 ARG QB 1 134 THR H . . 6.880 5.004 3.768 6.081 . 0 0 "[ . 1 . 2]" 1
691 1 131 ILE H 1 131 ILE HB . . 2.930 2.555 2.182 2.837 . 0 0 "[ . 1 . 2]" 1
692 1 131 ILE H 1 131 ILE HG12 . 2.150 3.780 3.042 2.027 3.981 0.201 7 0 "[ . 1 . 2]" 1
693 1 131 ILE H 1 131 ILE HG13 . 2.150 3.780 3.421 2.263 3.841 0.061 19 0 "[ . 1 . 2]" 1
694 1 131 ILE H 1 131 ILE MD . 2.370 3.900 2.401 1.898 3.260 0.472 16 0 "[ . 1 . 2]" 1
695 1 131 ILE H 1 131 ILE QG . 2.040 3.940 2.592 2.016 3.466 0.024 18 0 "[ . 1 . 2]" 1
696 1 131 ILE H 1 131 ILE MG . . 7.020 3.765 3.644 3.826 . 0 0 "[ . 1 . 2]" 1
697 1 131 ILE H 1 132 ILE H . 2.530 3.390 2.768 2.520 2.926 0.010 1 0 "[ . 1 . 2]" 1
698 1 131 ILE HA 1 131 ILE MD . . 7.020 2.830 2.209 3.839 . 0 0 "[ . 1 . 2]" 1
699 1 131 ILE HA 1 131 ILE QG . . 4.010 2.781 2.252 3.313 . 0 0 "[ . 1 . 2]" 1
700 1 132 ILE H 1 132 ILE HB . 2.230 3.350 2.497 2.375 2.682 . 0 0 "[ . 1 . 2]" 1
701 1 132 ILE H 1 132 ILE MD . . 7.020 3.191 1.895 3.647 0.005 17 0 "[ . 1 . 2]" 1
702 1 132 ILE H 1 132 ILE QG . . 4.570 2.222 1.914 3.273 . 0 0 "[ . 1 . 2]" 1
703 1 132 ILE H 1 132 ILE MG . . 7.020 3.771 3.743 3.820 . 0 0 "[ . 1 . 2]" 1
704 1 132 ILE H 1 133 ARG H . 2.470 3.580 2.850 2.205 3.175 0.265 15 0 "[ . 1 . 2]" 1
705 1 132 ILE H 1 135 LYS QD . 2.370 4.740 4.317 4.184 4.460 . 0 0 "[ . 1 . 2]" 1
706 1 133 ARG H 1 133 ARG HG2 . . 3.170 2.666 2.095 3.304 0.134 7 0 "[ . 1 . 2]" 1
707 1 133 ARG H 1 133 ARG HG3 . 2.100 6.000 3.145 2.081 3.971 0.019 2 0 "[ . 1 . 2]" 1
708 1 133 ARG H 1 137 GLN HB2 . . 6.000 5.658 3.168 6.188 0.188 5 0 "[ . 1 . 2]" 1
709 1 133 ARG H 1 137 GLN HB3 . . 6.000 5.041 3.626 6.200 0.200 11 0 "[ . 1 . 2]" 1
710 1 133 ARG QB 1 133 ARG QD . 2.040 4.820 2.379 2.106 2.984 . 0 0 "[ . 1 . 2]" 1
711 1 134 THR H 1 134 THR HA . . 2.880 2.856 2.810 2.979 0.099 11 0 "[ . 1 . 2]" 1
712 1 134 THR H 1 134 THR HG1 . . 2.740 2.010 1.824 2.214 0.006 15 0 "[ . 1 . 2]" 1
713 1 134 THR H 1 134 THR MG . 2.300 3.720 2.281 2.108 2.965 0.192 1 0 "[ . 1 . 2]" 1
714 1 134 THR H 1 135 LYS H . 2.450 3.820 2.813 2.617 3.927 0.107 11 0 "[ . 1 . 2]" 1
715 1 134 THR HA 1 134 THR MG . . 3.670 2.338 2.265 2.402 . 0 0 "[ . 1 . 2]" 1
716 1 134 THR HA 1 135 LYS H . . 6.000 3.463 2.234 3.581 . 0 0 "[ . 1 . 2]" 1
717 1 135 LYS H 1 135 LYS HB2 . 2.070 3.310 2.408 2.267 2.744 . 0 0 "[ . 1 . 2]" 1
718 1 135 LYS H 1 135 LYS HB3 . 2.070 3.510 3.586 3.533 3.647 0.137 14 0 "[ . 1 . 2]" 1
719 1 135 LYS H 1 135 LYS QB . . 3.730 2.371 2.242 2.668 . 0 0 "[ . 1 . 2]" 1
720 1 135 LYS H 1 135 LYS QD . . 6.880 2.321 2.032 2.782 . 0 0 "[ . 1 . 2]" 1
721 1 135 LYS H 1 135 LYS QG . 2.460 4.570 3.352 2.057 3.649 0.403 11 0 "[ . 1 . 2]" 1
722 1 135 LYS H 1 136 VAL H . 2.320 3.480 2.729 2.247 3.492 0.073 19 0 "[ . 1 . 2]" 1
723 1 135 LYS H 1 136 VAL QG . . 8.100 4.440 3.740 4.817 . 0 0 "[ . 1 . 2]" 1
724 1 135 LYS HA 1 135 LYS HB2 . . 2.940 3.027 3.000 3.038 0.098 16 0 "[ . 1 . 2]" 1
725 1 135 LYS HA 1 135 LYS HB3 . . 2.940 2.499 2.331 2.626 . 0 0 "[ . 1 . 2]" 1
726 1 135 LYS HA 1 135 LYS QD . . 3.830 3.095 2.166 3.511 . 0 0 "[ . 1 . 2]" 1
727 1 135 LYS QB 1 136 VAL H . . 4.350 2.377 1.920 3.331 . 0 0 "[ . 1 . 2]" 1
728 1 135 LYS QD 1 136 VAL H . 2.700 5.230 4.162 3.764 4.747 . 0 0 "[ . 1 . 2]" 1
729 1 135 LYS QG 1 136 VAL H . 2.580 4.850 4.251 3.844 4.513 . 0 0 "[ . 1 . 2]" 1
730 1 135 LYS QG 1 136 VAL HA . . 6.880 6.025 5.911 6.121 . 0 0 "[ . 1 . 2]" 1
731 1 136 VAL H 1 136 VAL HB . . 3.510 3.242 2.776 3.686 0.176 14 0 "[ . 1 . 2]" 1
732 1 136 VAL H 1 136 VAL QG . . 4.980 2.731 1.909 3.065 0.011 11 0 "[ . 1 . 2]" 1
733 1 136 VAL H 1 137 GLN H . 2.400 3.430 3.500 2.751 3.749 0.319 7 0 "[ . 1 . 2]" 1
734 1 136 VAL HA 1 136 VAL HB . . 2.980 2.718 2.366 3.045 0.065 3 0 "[ . 1 . 2]" 1
735 1 136 VAL HA 1 137 GLN H . . 2.490 2.240 2.062 2.587 0.097 11 0 "[ . 1 . 2]" 1
736 1 136 VAL HB 1 137 GLN H . . 6.000 4.471 4.304 4.558 . 0 0 "[ . 1 . 2]" 1
737 1 136 VAL QG 1 137 GLN H . 2.150 5.420 3.383 2.974 3.786 . 0 0 "[ . 1 . 2]" 1
738 1 137 GLN H 1 137 GLN HB3 . . 3.280 2.979 2.233 3.468 0.188 4 0 "[ . 1 . 2]" 1
739 1 137 GLN H 1 137 GLN QG . 2.220 4.060 2.754 1.913 3.944 0.307 2 0 "[ . 1 . 2]" 1
740 1 137 GLN HA 1 137 GLN QE . . 5.460 4.046 2.329 4.744 . 0 0 "[ . 1 . 2]" 1
741 1 137 GLN HA 1 138 GLN H . . 2.660 2.365 2.147 2.770 0.110 3 0 "[ . 1 . 2]" 1
742 1 138 GLN H 1 138 GLN HB2 . . 2.970 2.609 2.343 3.228 0.258 10 0 "[ . 1 . 2]" 1
743 1 138 GLN H 1 138 GLN QG . 2.150 3.880 2.837 2.178 3.159 . 0 0 "[ . 1 . 2]" 1
744 1 138 GLN HA 1 138 GLN QE . . 5.230 3.522 2.360 4.589 . 0 0 "[ . 1 . 2]" 1
745 1 139 PRO HA 1 140 PHE H . . 2.450 2.282 2.107 2.465 0.015 19 0 "[ . 1 . 2]" 1
746 1 139 PRO HB2 1 140 PHE H . 2.340 3.750 3.001 2.506 3.628 . 0 0 "[ . 1 . 2]" 1
747 1 139 PRO HB3 1 140 PHE H . 2.340 3.750 3.738 3.551 4.023 0.273 3 0 "[ . 1 . 2]" 1
748 1 139 PRO QB 1 140 PHE H . . 4.110 2.875 2.458 3.377 . 0 0 "[ . 1 . 2]" 1
749 1 140 PHE H 1 140 PHE HZ . . 6.000 5.759 5.337 6.030 0.030 9 0 "[ . 1 . 2]" 1
750 1 140 PHE H 1 140 PHE QD . . 8.130 2.581 2.070 3.443 . 0 0 "[ . 1 . 2]" 1
751 1 140 PHE HA 1 140 PHE HZ . . 6.000 6.000 5.778 6.068 0.068 15 0 "[ . 1 . 2]" 1
752 1 140 PHE HB2 1 141 ASN H . . 6.000 4.181 2.425 4.526 . 0 0 "[ . 1 . 2]" 1
753 1 140 PHE HB3 1 141 ASN H . . 6.000 3.797 2.538 4.564 . 0 0 "[ . 1 . 2]" 1
754 1 141 ASN H 1 141 ASN HB2 . 2.430 4.100 3.319 2.501 3.955 . 0 0 "[ . 1 . 2]" 1
755 1 141 ASN H 1 141 ASN HB3 . 2.430 4.100 3.142 2.437 3.878 . 0 0 "[ . 1 . 2]" 1
756 1 141 ASN HA 1 142 LEU H . . 2.730 2.290 2.189 2.435 . 0 0 "[ . 1 . 2]" 1
757 1 141 ASN HB2 1 142 LEU H . 2.530 4.030 3.744 2.503 4.078 0.048 10 0 "[ . 1 . 2]" 1
758 1 141 ASN HB3 1 142 LEU H . 2.530 4.030 3.706 2.556 4.087 0.057 7 0 "[ . 1 . 2]" 1
759 1 141 ASN QB 1 142 LEU H . 2.320 4.360 3.235 2.467 3.603 . 0 0 "[ . 1 . 2]" 1
760 1 142 LEU H 1 142 LEU HG . . 6.000 4.433 3.483 5.103 . 0 0 "[ . 1 . 2]" 1
761 1 142 LEU H 1 142 LEU QB . 2.100 4.030 2.656 2.249 3.160 . 0 0 "[ . 1 . 2]" 1
762 1 142 LEU H 1 142 LEU MD1 . . 7.020 4.269 2.154 4.791 . 0 0 "[ . 1 . 2]" 1
763 1 142 LEU H 1 142 LEU MD2 . . 7.020 4.295 1.836 4.863 0.064 20 0 "[ . 1 . 2]" 1
764 1 143 PRO HA 1 144 MET H . . 2.670 2.378 2.193 2.712 0.042 18 0 "[ . 1 . 2]" 1
765 1 144 MET HA 1 145 ASP H . . 2.770 2.297 2.149 2.479 . 0 0 "[ . 1 . 2]" 1
766 1 144 MET QB 1 145 ASP H . . 4.530 3.397 2.334 4.079 . 0 0 "[ . 1 . 2]" 1
767 1 145 ASP H 1 145 ASP HB2 . . 3.290 3.031 2.519 3.512 0.222 14 0 "[ . 1 . 2]" 1
768 1 145 ASP H 1 145 ASP HB3 . . 3.290 2.638 2.372 2.941 . 0 0 "[ . 1 . 2]" 1
769 1 145 ASP H 1 145 ASP QB . . 3.700 2.477 2.218 2.772 . 0 0 "[ . 1 . 2]" 1
770 1 146 SER HA 1 147 GLY H . 2.310 3.460 2.425 2.205 2.931 0.105 17 0 "[ . 1 . 2]" 1
771 1 147 GLY QA 1 148 ALA H . . 3.860 2.319 2.161 2.513 . 0 0 "[ . 1 . 2]" 1
772 1 148 ALA H 1 148 ALA MB . 2.130 3.920 2.590 2.223 2.780 . 0 0 "[ . 1 . 2]" 1
773 1 149 PRO HA 1 150 GLY H . 2.700 3.320 2.492 2.395 2.582 0.305 10 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 179
_Distance_constraint_stats_list.Viol_count 166
_Distance_constraint_stats_list.Viol_total 578.861
_Distance_constraint_stats_list.Viol_max 0.567
_Distance_constraint_stats_list.Viol_rms 0.0480
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.1744
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.821 0.283 19 0 "[ . 1 . 2]"
1 23 GLY 7.434 0.461 20 0 "[ . 1 . 2]"
1 24 ARG 2.735 0.497 20 0 "[ . 1 . 2]"
1 26 LEU 0.103 0.048 16 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLN 7.255 0.532 16 5 "[ * .-* 1 .+ *]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 0.000 0.000 13 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.012 0.012 13 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TYR 0.125 0.053 18 0 "[ . 1 . 2]"
1 66 TYR 0.787 0.211 1 0 "[ . 1 . 2]"
1 67 GLU 0.787 0.211 1 0 "[ . 1 . 2]"
1 68 THR 0.607 0.282 3 0 "[ . 1 . 2]"
1 69 GLY 1.327 0.282 3 0 "[ . 1 . 2]"
1 70 SER 0.232 0.148 15 0 "[ . 1 . 2]"
1 72 ARG 0.309 0.148 15 0 "[ . 1 . 2]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 0.116 0.116 18 0 "[ . 1 . 2]"
1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLU 0.049 0.049 14 0 "[ . 1 . 2]"
1 91 LYS 0.049 0.049 14 0 "[ . 1 . 2]"
1 92 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 1.361 0.567 20 1 "[ . 1 . +]"
1 102 MET 2.645 0.392 20 0 "[ . 1 . 2]"
1 103 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 TRP 0.578 0.091 6 0 "[ . 1 . 2]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ASP 5.770 0.470 14 0 "[ . 1 . 2]"
1 119 ASN 0.035 0.035 6 0 "[ . 1 . 2]"
1 120 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 GLN 0.031 0.031 10 0 "[ . 1 . 2]"
1 144 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 GLY 0.154 0.154 10 0 "[ . 1 . 2]"
1 152 GLY 0.003 0.003 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 HIS H 1 10 HIS HA . 2.710 . 2.906 2.868 2.987 . 0 0 "[ . 1 . 2]" 2
2 1 15 GLN H 1 15 GLN HA . 2.470 . 2.918 2.812 2.996 . 0 0 "[ . 1 . 2]" 2
3 1 19 ALA H 1 19 ALA HA . 2.520 . 2.811 2.237 2.959 0.283 19 0 "[ . 1 . 2]" 2
4 1 23 GLY H 1 23 GLY HA2 . 2.530 . 2.499 2.287 2.960 0.243 17 0 "[ . 1 . 2]" 2
5 1 23 GLY H 1 23 GLY HA3 . 2.830 . 2.885 2.369 3.000 0.461 20 0 "[ . 1 . 2]" 2
6 1 23 GLY H 1 23 GLY QA . 2.420 . 2.332 2.199 2.523 0.221 14 0 "[ . 1 . 2]" 2
7 1 23 GLY HA2 1 24 ARG H . 2.830 . 3.251 2.493 3.621 0.337 3 0 "[ . 1 . 2]" 2
8 1 23 GLY HA3 1 24 ARG H . 2.830 . 3.070 2.544 3.617 0.286 20 0 "[ . 1 . 2]" 2
9 1 24 ARG H 1 24 ARG HA . 2.670 . 2.836 2.173 2.999 0.497 20 0 "[ . 1 . 2]" 2
10 1 26 LEU H 1 26 LEU HB2 . 2.180 . 2.723 2.132 3.859 0.048 16 0 "[ . 1 . 2]" 2
11 1 26 LEU H 1 26 LEU HB3 . 2.180 . 3.496 2.533 3.982 . 0 0 "[ . 1 . 2]" 2
12 1 26 LEU HA 1 26 LEU MD1 . . . 2.855 2.131 4.053 . 0 0 "[ . 1 . 2]" 2
13 1 26 LEU HA 1 26 LEU MD2 . . . 3.369 2.119 3.891 . 0 0 "[ . 1 . 2]" 2
14 1 29 VAL H 1 29 VAL HA . 2.400 . 2.787 2.668 2.904 . 0 0 "[ . 1 . 2]" 2
15 1 29 VAL H 1 29 VAL MG1 . . . 2.285 1.981 2.656 . 0 0 "[ . 1 . 2]" 2
16 1 29 VAL H 1 29 VAL MG2 . . . 3.715 3.631 3.780 . 0 0 "[ . 1 . 2]" 2
17 1 30 VAL H 1 30 VAL HA . 2.730 . 2.800 2.760 2.858 . 0 0 "[ . 1 . 2]" 2
18 1 30 VAL H 1 30 VAL MG1 . . . 2.808 2.171 3.783 . 0 0 "[ . 1 . 2]" 2
19 1 30 VAL H 1 30 VAL MG2 . . . 3.211 2.153 3.778 . 0 0 "[ . 1 . 2]" 2
20 1 31 ARG H 1 31 ARG HA . 2.500 . 2.786 2.716 2.850 . 0 0 "[ . 1 . 2]" 2
21 1 31 ARG HB2 1 32 GLN H . . . 3.685 2.619 4.208 . 0 0 "[ . 1 . 2]" 2
22 1 31 ARG HB3 1 32 GLN H . . . 2.828 2.155 4.147 . 0 0 "[ . 1 . 2]" 2
23 1 32 GLN H 1 32 GLN HG2 . 2.670 . 2.497 2.138 3.958 0.532 16 5 "[ * .-* 1 .+ *]" 2
24 1 32 GLN H 1 32 GLN HG3 . 2.670 . 3.540 2.501 3.779 0.169 13 0 "[ . 1 . 2]" 2
25 1 32 GLN HA 1 32 GLN HE21 . 2.260 . 3.528 2.937 4.277 . 0 0 "[ . 1 . 2]" 2
26 1 32 GLN HA 1 32 GLN HE22 . 2.260 . 3.853 3.359 4.801 . 0 0 "[ . 1 . 2]" 2
27 1 33 ARG H 1 33 ARG HA . 2.430 . 2.858 2.774 2.910 . 0 0 "[ . 1 . 2]" 2
28 1 33 ARG HA 1 34 ILE H . 2.830 . 3.604 3.563 3.634 . 0 0 "[ . 1 . 2]" 2
29 1 34 ILE H 1 34 ILE HA . 2.500 . 2.848 2.803 2.887 . 0 0 "[ . 1 . 2]" 2
30 1 34 ILE H 1 34 ILE HG12 . . . 2.754 2.132 3.991 . 0 0 "[ . 1 . 2]" 2
31 1 34 ILE H 1 34 ILE HG13 . . . 3.234 2.112 3.809 . 0 0 "[ . 1 . 2]" 2
32 1 35 VAL H 1 35 VAL HA . 2.630 . 2.827 2.770 2.876 . 0 0 "[ . 1 . 2]" 2
33 1 35 VAL HA 1 36 ASP H . 2.570 . 3.606 3.581 3.630 . 0 0 "[ . 1 . 2]" 2
34 1 35 VAL MG1 1 36 ASP H . . . 3.086 2.952 3.406 . 0 0 "[ . 1 . 2]" 2
35 1 35 VAL MG2 1 36 ASP H . . . 3.948 3.638 4.074 . 0 0 "[ . 1 . 2]" 2
36 1 37 LEU H 1 37 LEU HA . 2.390 . 2.831 2.783 2.888 . 0 0 "[ . 1 . 2]" 2
37 1 37 LEU HA 1 38 ALA H . 2.590 . 3.599 3.569 3.626 . 0 0 "[ . 1 . 2]" 2
38 1 39 HIS HA 1 40 GLN H . 2.690 . 3.589 3.458 3.647 . 0 0 "[ . 1 . 2]" 2
39 1 40 GLN H 1 40 GLN HA . 2.560 . 2.861 2.827 2.915 . 0 0 "[ . 1 . 2]" 2
40 1 42 VAL H 1 42 VAL HA . 2.320 . 2.959 2.842 2.993 . 0 0 "[ . 1 . 2]" 2
41 1 42 VAL MG1 1 43 ARG H . . . 3.293 2.298 4.007 . 0 0 "[ . 1 . 2]" 2
42 1 42 VAL MG2 1 43 ARG H . . . 3.262 2.029 4.401 . 0 0 "[ . 1 . 2]" 2
43 1 43 ARG H 1 43 ARG HA . 2.460 . 2.885 2.794 2.979 . 0 0 "[ . 1 . 2]" 2
44 1 46 ASP H 1 46 ASP HA . 2.580 . 2.894 2.808 2.972 . 0 0 "[ . 1 . 2]" 2
45 1 47 ILE H 1 47 ILE HA . 2.600 . 2.847 2.773 2.947 . 0 0 "[ . 1 . 2]" 2
46 1 48 SER H 1 48 SER HA . 2.520 . 2.760 2.660 2.818 . 0 0 "[ . 1 . 2]" 2
47 1 48 SER HA 1 53 VAL MG1 . . . 4.512 3.690 5.037 . 0 0 "[ . 1 . 2]" 2
48 1 48 SER HA 1 53 VAL MG2 . . . 2.578 2.059 3.769 . 0 0 "[ . 1 . 2]" 2
49 1 49 ARG H 1 49 ARG HA . 2.620 . 2.871 2.818 2.918 . 0 0 "[ . 1 . 2]" 2
50 1 50 GLN H 1 50 GLN QG . 2.030 . 2.105 2.030 2.205 0.000 13 0 "[ . 1 . 2]" 2
51 1 50 GLN HA 1 51 LEU H . 2.620 . 3.583 3.552 3.636 . 0 0 "[ . 1 . 2]" 2
52 1 51 LEU H 1 51 LEU HA . 2.360 . 2.954 2.928 2.978 . 0 0 "[ . 1 . 2]" 2
53 1 51 LEU H 1 51 LEU MD1 . . . 4.034 3.747 4.207 . 0 0 "[ . 1 . 2]" 2
54 1 51 LEU H 1 51 LEU MD2 . . . 2.442 2.287 2.594 . 0 0 "[ . 1 . 2]" 2
55 1 51 LEU HA 1 52 ARG H . 2.700 . 3.423 3.291 3.518 . 0 0 "[ . 1 . 2]" 2
56 1 53 VAL H 1 53 VAL HA . 2.580 . 2.971 2.936 3.005 . 0 0 "[ . 1 . 2]" 2
57 1 57 CYS H 1 57 CYS HA . 2.610 . 2.880 2.826 2.938 . 0 0 "[ . 1 . 2]" 2
58 1 58 VAL H 1 58 VAL HA . 2.740 . 2.801 2.728 2.932 0.012 13 0 "[ . 1 . 2]" 2
59 1 58 VAL HA 1 58 VAL HB . 2.230 . 3.038 3.014 3.048 . 0 0 "[ . 1 . 2]" 2
60 1 59 SER H 1 59 SER HA . 2.370 . 2.774 2.722 2.820 . 0 0 "[ . 1 . 2]" 2
61 1 60 LYS H 1 60 LYS HG2 . . . 3.025 2.086 3.728 . 0 0 "[ . 1 . 2]" 2
62 1 60 LYS H 1 60 LYS HG3 . . . 2.715 2.073 3.827 . 0 0 "[ . 1 . 2]" 2
63 1 60 LYS HA 1 61 ILE H . 2.650 . 3.588 3.512 3.647 . 0 0 "[ . 1 . 2]" 2
64 1 61 ILE H 1 61 ILE HA . 2.440 . 2.845 2.769 2.873 . 0 0 "[ . 1 . 2]" 2
65 1 62 LEU H 1 62 LEU HA . 2.580 . 2.852 2.737 2.906 . 0 0 "[ . 1 . 2]" 2
66 1 62 LEU HA 1 63 GLY H . 2.570 . 3.570 3.347 3.637 . 0 0 "[ . 1 . 2]" 2
67 1 64 ARG HA 1 65 TYR H . 2.410 . 3.535 3.332 3.639 . 0 0 "[ . 1 . 2]" 2
68 1 65 TYR H 1 65 TYR HA . 2.230 . 2.634 2.177 2.996 0.053 18 0 "[ . 1 . 2]" 2
69 1 66 TYR HA 1 67 GLU H . 2.420 . 2.845 2.209 3.632 0.211 1 0 "[ . 1 . 2]" 2
70 1 67 GLU H 1 67 GLU HG2 . . . 3.567 2.900 4.508 . 0 0 "[ . 1 . 2]" 2
71 1 67 GLU H 1 67 GLU HG3 . . . 2.929 2.009 4.457 . 0 0 "[ . 1 . 2]" 2
72 1 68 THR HA 1 69 GLY H . 2.530 . 3.066 2.248 3.600 0.282 3 0 "[ . 1 . 2]" 2
73 1 69 GLY H 1 69 GLY HA2 . 2.340 . 2.674 2.267 3.003 0.073 3 0 "[ . 1 . 2]" 2
74 1 69 GLY H 1 69 GLY HA3 . 2.340 . 2.608 2.268 2.955 0.072 5 0 "[ . 1 . 2]" 2
75 1 70 SER H 1 70 SER HA . 2.850 . 2.907 2.840 2.973 0.010 14 0 "[ . 1 . 2]" 2
76 1 70 SER QB 1 72 ARG H . 2.660 . 4.341 2.512 5.186 0.148 15 0 "[ . 1 . 2]" 2
77 1 72 ARG H 1 72 ARG HA . 2.390 . 2.921 2.302 3.007 0.088 5 0 "[ . 1 . 2]" 2
78 1 76 ILE HA 1 76 ILE HB . 2.230 . 3.037 2.974 3.046 . 0 0 "[ . 1 . 2]" 2
79 1 78 GLY QA 1 79 SER H . . . 2.352 2.167 2.733 . 0 0 "[ . 1 . 2]" 2
80 1 84 ALA H 1 84 ALA HA . 2.820 . 2.910 2.704 2.974 0.116 18 0 "[ . 1 . 2]" 2
81 1 85 THR H 1 88 VAL HB . 2.460 . 5.057 3.807 6.427 . 0 0 "[ . 1 . 2]" 2
82 1 85 THR H 1 88 VAL QG . 2.200 . 3.379 2.487 4.094 . 0 0 "[ . 1 . 2]" 2
83 1 85 THR HA 1 85 THR HG1 . . . 3.357 2.480 4.066 . 0 0 "[ . 1 . 2]" 2
84 1 85 THR HG1 1 85 THR MG . . . 2.527 2.201 3.053 . 0 0 "[ . 1 . 2]" 2
85 1 87 LYS H 1 87 LYS HA . 2.650 . 2.791 2.706 2.832 . 0 0 "[ . 1 . 2]" 2
86 1 87 LYS HA 1 88 VAL H . 3.010 . 3.503 3.427 3.567 . 0 0 "[ . 1 . 2]" 2
87 1 88 VAL H 1 88 VAL HA . 2.450 . 2.802 2.749 2.838 . 0 0 "[ . 1 . 2]" 2
88 1 88 VAL H 1 88 VAL HB . 2.210 . 2.638 2.317 3.621 . 0 0 "[ . 1 . 2]" 2
89 1 88 VAL HA 1 88 VAL HB . 2.260 . 2.949 2.388 3.049 . 0 0 "[ . 1 . 2]" 2
90 1 89 VAL H 1 89 VAL HA . 2.680 . 2.840 2.788 2.889 . 0 0 "[ . 1 . 2]" 2
91 1 90 GLU H 1 90 GLU HA . 2.350 . 2.848 2.785 2.928 . 0 0 "[ . 1 . 2]" 2
92 1 90 GLU H 1 90 GLU HG2 . . . 3.428 2.790 3.577 . 0 0 "[ . 1 . 2]" 2
93 1 90 GLU H 1 90 GLU HG3 . . . 2.262 2.090 3.821 . 0 0 "[ . 1 . 2]" 2
94 1 90 GLU HA 1 91 LYS H . 3.060 . 3.530 3.011 3.629 0.049 14 0 "[ . 1 . 2]" 2
95 1 91 LYS H 1 91 LYS HA . 2.670 . 2.852 2.745 2.974 . 0 0 "[ . 1 . 2]" 2
96 1 91 LYS H 1 91 LYS HG2 . . . 2.731 2.056 3.924 . 0 0 "[ . 1 . 2]" 2
97 1 91 LYS H 1 91 LYS HG3 . . . 3.218 2.048 3.846 . 0 0 "[ . 1 . 2]" 2
98 1 91 LYS HA 1 92 ILE H . 3.080 . 3.607 3.416 3.648 . 0 0 "[ . 1 . 2]" 2
99 1 95 TYR H 1 110 ARG HA . . . 9.105 8.624 9.375 . 0 0 "[ . 1 . 2]" 2
100 1 95 TYR HA 1 96 LYS H . 2.860 . 3.570 3.114 3.676 . 0 0 "[ . 1 . 2]" 2
101 1 95 TYR HB2 1 96 LYS H . . . 2.933 2.242 3.992 . 0 0 "[ . 1 . 2]" 2
102 1 95 TYR HB3 1 96 LYS H . . . 3.872 3.156 4.522 . 0 0 "[ . 1 . 2]" 2
103 1 96 LYS H 1 96 LYS HA . 2.490 . 2.876 2.773 2.982 . 0 0 "[ . 1 . 2]" 2
104 1 98 GLN H 1 98 GLN HA . 2.370 . 2.852 2.824 2.899 . 0 0 "[ . 1 . 2]" 2
105 1 98 GLN HA 1 99 ASN H . 2.490 . 3.597 3.558 3.640 . 0 0 "[ . 1 . 2]" 2
106 1 99 ASN H 1 99 ASN HA . 2.470 . 2.943 2.824 2.992 . 0 0 "[ . 1 . 2]" 2
107 1 101 THR H 1 101 THR HA . 2.810 . 2.822 2.243 2.982 0.567 20 1 "[ . 1 . +]" 2
108 1 101 THR HA 1 102 MET H . 2.590 . 3.189 2.476 3.632 0.114 14 0 "[ . 1 . 2]" 2
109 1 102 MET H 1 102 MET HA . 2.410 . 2.831 2.210 2.982 0.200 17 0 "[ . 1 . 2]" 2
110 1 102 MET H 1 102 MET HG2 . 2.700 . 3.181 2.308 4.358 0.392 20 0 "[ . 1 . 2]" 2
111 1 102 MET H 1 102 MET HG3 . 2.700 . 3.358 2.495 4.246 0.205 10 0 "[ . 1 . 2]" 2
112 1 102 MET HA 1 102 MET HG3 . 2.190 . 3.302 2.576 3.715 . 0 0 "[ . 1 . 2]" 2
113 1 102 MET HB2 1 103 PHE H . . . 3.636 2.442 4.427 . 0 0 "[ . 1 . 2]" 2
114 1 102 MET HB3 1 103 PHE H . . . 2.491 1.905 3.860 . 0 0 "[ . 1 . 2]" 2
115 1 103 PHE H 1 103 PHE HA . 2.780 . 2.948 2.815 2.990 . 0 0 "[ . 1 . 2]" 2
116 1 105 TRP H 1 105 TRP HA . 2.510 . 2.809 2.748 2.888 . 0 0 "[ . 1 . 2]" 2
117 1 105 TRP H 1 105 TRP HB2 . 2.660 . 2.930 2.569 3.624 0.091 6 0 "[ . 1 . 2]" 2
118 1 105 TRP H 1 105 TRP HB3 . 2.660 . 3.306 2.662 3.562 . 0 0 "[ . 1 . 2]" 2
119 1 105 TRP HA 1 125 VAL MG1 . . . 3.874 2.216 4.977 . 0 0 "[ . 1 . 2]" 2
120 1 105 TRP HA 1 125 VAL MG2 . . . 2.892 2.305 4.241 . 0 0 "[ . 1 . 2]" 2
121 1 106 GLU HA 1 107 ILE H . 2.860 . 3.580 3.545 3.620 . 0 0 "[ . 1 . 2]" 2
122 1 106 GLU HB2 1 107 ILE H . . . 3.065 2.273 4.046 . 0 0 "[ . 1 . 2]" 2
123 1 106 GLU HB3 1 107 ILE H . . . 3.173 2.425 3.888 . 0 0 "[ . 1 . 2]" 2
124 1 107 ILE H 1 107 ILE HA . 2.440 . 2.825 2.759 2.877 . 0 0 "[ . 1 . 2]" 2
125 1 108 ARG H 1 108 ARG HA . 2.500 . 2.815 2.743 2.873 . 0 0 "[ . 1 . 2]" 2
126 1 108 ARG HA 1 109 ASP H . 2.910 . 3.601 3.575 3.638 . 0 0 "[ . 1 . 2]" 2
127 1 109 ASP H 1 109 ASP HA . 2.320 . 2.861 2.815 2.901 . 0 0 "[ . 1 . 2]" 2
128 1 109 ASP HA 1 110 ARG H . 2.580 . 3.524 3.373 3.596 . 0 0 "[ . 1 . 2]" 2
129 1 110 ARG H 1 110 ARG HA . 2.270 . 2.822 2.777 2.906 . 0 0 "[ . 1 . 2]" 2
130 1 111 LEU H 1 111 LEU HA . 2.470 . 2.846 2.803 2.978 . 0 0 "[ . 1 . 2]" 2
131 1 111 LEU HA 1 112 LEU H . 2.760 . 3.584 3.557 3.615 . 0 0 "[ . 1 . 2]" 2
132 1 112 LEU H 1 112 LEU MD1 . . . 3.677 3.607 3.775 . 0 0 "[ . 1 . 2]" 2
133 1 112 LEU H 1 112 LEU MD2 . . . 3.010 2.875 3.265 . 0 0 "[ . 1 . 2]" 2
134 1 112 LEU HA 1 112 LEU MD1 . . . 3.842 3.785 3.870 . 0 0 "[ . 1 . 2]" 2
135 1 112 LEU HA 1 112 LEU MD2 . . . 2.175 2.121 2.244 . 0 0 "[ . 1 . 2]" 2
136 1 112 LEU HA 1 113 ALA H . 2.860 . 3.579 3.562 3.611 . 0 0 "[ . 1 . 2]" 2
137 1 113 ALA HA 1 114 GLU H . 2.570 . 3.601 3.560 3.624 . 0 0 "[ . 1 . 2]" 2
138 1 114 GLU H 1 114 GLU HA . 2.290 . 2.879 2.857 2.907 . 0 0 "[ . 1 . 2]" 2
139 1 114 GLU H 1 114 GLU HG2 . . . 4.113 2.319 4.605 . 0 0 "[ . 1 . 2]" 2
140 1 114 GLU H 1 114 GLU HG3 . . . 3.970 2.390 4.506 . 0 0 "[ . 1 . 2]" 2
141 1 115 GLY H 1 116 VAL MG1 . 2.690 . 5.507 5.290 5.729 . 0 0 "[ . 1 . 2]" 2
142 1 115 GLY HA2 1 116 VAL H . 2.540 . 2.728 2.552 2.888 . 0 0 "[ . 1 . 2]" 2
143 1 115 GLY HA3 1 116 VAL H . 2.540 . 3.573 3.540 3.594 . 0 0 "[ . 1 . 2]" 2
144 1 116 VAL H 1 116 VAL HA . 2.320 . 2.951 2.905 2.995 . 0 0 "[ . 1 . 2]" 2
145 1 117 CYS H 1 117 CYS HA . 2.740 . 2.955 2.909 3.001 . 0 0 "[ . 1 . 2]" 2
146 1 118 ASP H 1 118 ASP HA . 2.340 . 2.927 2.778 2.989 . 0 0 "[ . 1 . 2]" 2
147 1 118 ASP H 1 118 ASP HB2 . 2.800 . 2.830 2.509 3.577 0.291 5 0 "[ . 1 . 2]" 2
148 1 118 ASP H 1 118 ASP HB3 . 2.800 . 2.930 2.330 3.711 0.470 14 0 "[ . 1 . 2]" 2
149 1 118 ASP HB2 1 119 ASN H . 2.360 . 3.586 2.587 3.854 . 0 0 "[ . 1 . 2]" 2
150 1 118 ASP QB 1 119 ASN H . 2.160 . 2.873 2.125 3.443 0.035 6 0 "[ . 1 . 2]" 2
151 1 119 ASN H 1 119 ASN HA . 2.500 . 2.758 2.619 2.960 . 0 0 "[ . 1 . 2]" 2
152 1 119 ASN HA 1 120 ASP H . 2.560 . 3.571 3.503 3.651 . 0 0 "[ . 1 . 2]" 2
153 1 120 ASP H 1 120 ASP HA . 2.310 . 2.933 2.644 2.978 . 0 0 "[ . 1 . 2]" 2
154 1 121 THR HA 1 122 VAL H . 2.550 . 3.515 3.280 3.613 . 0 0 "[ . 1 . 2]" 2
155 1 121 THR HG1 1 121 THR MG . . . 2.418 2.091 3.046 . 0 0 "[ . 1 . 2]" 2
156 1 124 SER H 1 125 VAL HA . 3.110 . 5.856 5.668 5.999 . 0 0 "[ . 1 . 2]" 2
157 1 125 VAL H 1 125 VAL HA . 2.640 . 2.827 2.782 2.899 . 0 0 "[ . 1 . 2]" 2
158 1 126 SER H 1 126 SER HA . 2.550 . 2.826 2.758 2.877 . 0 0 "[ . 1 . 2]" 2
159 1 128 ILE H 1 128 ILE HA . 2.440 . 2.829 2.747 2.977 . 0 0 "[ . 1 . 2]" 2
160 1 128 ILE H 1 128 ILE HG12 . . . 2.131 1.929 3.209 . 0 0 "[ . 1 . 2]" 2
161 1 128 ILE H 1 128 ILE HG13 . . . 3.185 2.113 3.707 . 0 0 "[ . 1 . 2]" 2
162 1 129 ASN H 1 129 ASN HA . 2.280 . 2.822 2.745 2.864 . 0 0 "[ . 1 . 2]" 2
163 1 129 ASN H 1 131 ILE MG . . . 6.586 5.878 6.891 . 0 0 "[ . 1 . 2]" 2
164 1 129 ASN HA 1 130 ARG H . 2.780 . 3.615 3.552 3.669 . 0 0 "[ . 1 . 2]" 2
165 1 130 ARG H 1 130 ARG HA . 2.390 . 2.806 2.725 2.861 . 0 0 "[ . 1 . 2]" 2
166 1 130 ARG HA 1 131 ILE H . 2.750 . 3.556 3.411 3.637 . 0 0 "[ . 1 . 2]" 2
167 1 131 ILE H 1 131 ILE HA . 2.380 . 2.843 2.793 2.911 . 0 0 "[ . 1 . 2]" 2
168 1 132 ILE H 1 132 ILE HA . 2.450 . 2.806 2.740 2.978 . 0 0 "[ . 1 . 2]" 2
169 1 132 ILE HA 1 133 ARG H . 2.820 . 3.595 3.552 3.644 . 0 0 "[ . 1 . 2]" 2
170 1 133 ARG H 1 133 ARG HA . 2.320 . 2.796 2.728 2.925 . 0 0 "[ . 1 . 2]" 2
171 1 134 THR HG1 1 134 THR MG . . . 2.345 2.213 2.991 . 0 0 "[ . 1 . 2]" 2
172 1 135 LYS H 1 135 LYS HA . 2.490 . 2.921 2.763 2.972 . 0 0 "[ . 1 . 2]" 2
173 1 138 GLN H 1 138 GLN HA . 2.330 . 2.934 2.299 3.005 0.031 10 0 "[ . 1 . 2]" 2
174 1 144 MET H 1 144 MET HG2 . . . 3.926 2.023 4.993 . 0 0 "[ . 1 . 2]" 2
175 1 144 MET H 1 144 MET HG3 . . . 3.863 2.221 5.096 . 0 0 "[ . 1 . 2]" 2
176 1 146 SER H 1 146 SER HA . 2.830 . 2.913 2.867 2.973 . 0 0 "[ . 1 . 2]" 2
177 1 148 ALA H 1 148 ALA HA . 2.730 . 2.954 2.875 3.007 . 0 0 "[ . 1 . 2]" 2
178 1 151 GLY H 1 151 GLY QA . 2.380 . 2.493 2.226 2.517 0.154 10 0 "[ . 1 . 2]" 2
179 1 152 GLY H 1 152 GLY QA . 2.510 . 2.514 2.507 2.519 0.003 11 0 "[ . 1 . 2]" 2
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