Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
602252 | 2n6f RC | 25762 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n6f
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 721
_Distance_constraint_stats_list.Viol_count 1101
_Distance_constraint_stats_list.Viol_total 1671.874
_Distance_constraint_stats_list.Viol_max 0.699
_Distance_constraint_stats_list.Viol_rms 0.0726
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0232
_Distance_constraint_stats_list.Viol_average_violations_only 0.1519
_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 6 PRO 5.601 0.699 3 4 "[ +*- * 1]"
1 7 GLU 6.731 0.699 3 4 "[ +*- * 1]"
1 8 LYS 2.701 0.433 7 0 "[ . 1]"
1 9 LYS 4.232 0.400 9 0 "[ . 1]"
1 10 VAL 4.436 0.322 6 0 "[ . 1]"
1 11 LYS 3.028 0.313 10 0 "[ . 1]"
1 12 LYS 1.307 0.448 9 0 "[ . 1]"
1 13 SER 1.485 0.443 3 0 "[ . 1]"
1 14 ASP 1.202 0.443 3 0 "[ . 1]"
1 15 CYS 1.540 0.412 2 0 "[ . 1]"
1 16 GLY 1.388 0.412 2 0 "[ . 1]"
1 17 GLU 2.531 0.335 7 0 "[ . 1]"
1 18 TRP 6.320 0.433 6 0 "[ . 1]"
1 19 GLN 0.578 0.191 4 0 "[ . 1]"
1 20 TRP 2.699 0.261 8 0 "[ . 1]"
1 21 SER 0.000 0.000 . 0 "[ . 1]"
1 22 VAL 0.164 0.046 6 0 "[ . 1]"
1 23 CYS 0.004 0.004 10 0 "[ . 1]"
1 24 VAL 0.000 0.000 . 0 "[ . 1]"
1 25 PRO 0.091 0.091 8 0 "[ . 1]"
1 26 THR 8.230 0.424 2 0 "[ . 1]"
1 27 SER 5.550 0.406 4 0 "[ . 1]"
1 28 GLY 1.927 0.434 10 0 "[ . 1]"
1 29 ASP 1.745 0.406 4 0 "[ . 1]"
1 30 CYS 2.576 0.434 10 0 "[ . 1]"
1 31 GLY 1.411 0.282 5 0 "[ . 1]"
1 32 LEU 2.795 0.424 2 0 "[ . 1]"
1 33 GLY 1.472 0.255 9 0 "[ . 1]"
1 34 THR 1.153 0.265 10 0 "[ . 1]"
1 35 ARG 1.024 0.146 6 0 "[ . 1]"
1 36 GLU 0.757 0.146 6 0 "[ . 1]"
1 37 GLY 0.400 0.108 5 0 "[ . 1]"
1 38 THR 0.734 0.262 1 0 "[ . 1]"
1 39 ARG 0.841 0.106 3 0 "[ . 1]"
1 40 THR 1.813 0.426 8 0 "[ . 1]"
1 41 GLY 1.278 0.426 8 0 "[ . 1]"
1 42 ALA 0.207 0.114 1 0 "[ . 1]"
1 43 GLU 0.931 0.207 8 0 "[ . 1]"
1 44 CYS 0.576 0.207 8 0 "[ . 1]"
1 45 LYS 0.932 0.345 2 0 "[ . 1]"
1 46 GLN 2.426 0.348 7 0 "[ . 1]"
1 47 THR 2.721 0.285 9 0 "[ . 1]"
1 48 MET 2.757 0.285 9 0 "[ . 1]"
1 49 LYS 2.344 0.490 5 0 "[ . 1]"
1 50 THR 2.402 0.392 9 0 "[ . 1]"
1 51 GLN 1.606 0.328 7 0 "[ . 1]"
1 52 ARG 2.894 0.328 7 0 "[ . 1]"
1 53 CYS 1.946 0.319 3 0 "[ . 1]"
1 54 LYS 2.619 0.372 3 0 "[ . 1]"
1 55 ILE 3.593 0.372 3 0 "[ . 1]"
1 58 ASN 0.000 0.000 . 0 "[ . 1]"
1 59 TRP 0.768 0.162 6 0 "[ . 1]"
1 60 LYS 2.548 0.346 4 0 "[ . 1]"
1 61 LYS 2.722 0.401 5 0 "[ . 1]"
1 62 GLN 4.644 0.401 5 0 "[ . 1]"
1 63 PHE 5.095 0.491 2 0 "[ . 1]"
1 64 GLY 1.799 0.491 2 0 "[ . 1]"
1 65 ALA 0.014 0.014 2 0 "[ . 1]"
1 66 GLU 0.014 0.014 2 0 "[ . 1]"
1 67 CYS 0.000 0.000 . 0 "[ . 1]"
1 68 LYS 1.650 0.684 6 1 "[ .+ 1]"
1 69 TYR 10.139 0.580 10 1 "[ . +]"
1 70 GLN 0.470 0.233 4 0 "[ . 1]"
1 71 PHE 0.168 0.144 9 0 "[ . 1]"
1 72 GLN 7.214 0.465 9 0 "[ . 1]"
1 73 ALA 2.266 0.404 8 0 "[ . 1]"
1 74 TRP 0.156 0.075 10 0 "[ . 1]"
1 75 GLY 0.249 0.084 9 0 "[ . 1]"
1 76 GLU 2.243 0.366 9 0 "[ . 1]"
1 77 CYS 0.221 0.110 3 0 "[ . 1]"
1 78 ASP 5.763 0.408 1 0 "[ . 1]"
1 79 LEU 8.750 0.454 6 0 "[ . 1]"
1 80 ASN 3.475 0.283 9 0 "[ . 1]"
1 81 THR 11.073 0.454 6 0 "[ . 1]"
1 82 ALA 3.892 0.315 2 0 "[ . 1]"
1 83 LEU 9.378 0.410 4 0 "[ . 1]"
1 84 LYS 4.169 0.410 4 0 "[ . 1]"
1 85 THR 4.258 0.395 1 0 "[ . 1]"
1 86 ARG 3.197 0.333 1 0 "[ . 1]"
1 87 THR 1.099 0.289 3 0 "[ . 1]"
1 88 GLY 0.000 0.000 . 0 "[ . 1]"
1 89 SER 3.767 0.332 5 0 "[ . 1]"
1 90 LEU 19.766 0.684 6 2 "[ .+ -]"
1 91 LYS 0.362 0.233 4 0 "[ . 1]"
1 92 ARG 2.181 0.267 2 0 "[ . 1]"
1 93 ALA 0.649 0.169 5 0 "[ . 1]"
1 94 LEU 1.255 0.424 7 0 "[ . 1]"
1 95 HIS 0.639 0.424 7 0 "[ . 1]"
1 96 ASN 1.543 0.342 1 0 "[ . 1]"
1 97 ALA 2.024 0.342 1 0 "[ . 1]"
1 98 GLU 0.705 0.224 8 0 "[ . 1]"
1 99 CYS 1.584 0.406 9 0 "[ . 1]"
1 100 GLN 2.626 0.391 7 0 "[ . 1]"
1 101 LYS 5.395 0.480 10 0 "[ . 1]"
1 102 THR 1.781 0.217 4 0 "[ . 1]"
1 103 VAL 3.519 0.234 10 0 "[ . 1]"
1 104 THR 3.534 0.451 4 0 "[ . 1]"
1 105 ILE 3.102 0.451 4 0 "[ . 1]"
1 106 SER 0.886 0.193 7 0 "[ . 1]"
1 108 PRO 0.969 0.224 10 0 "[ . 1]"
1 109 CYS 2.229 0.320 9 0 "[ . 1]"
1 110 GLY 0.055 0.055 4 0 "[ . 1]"
1 111 LYS 1.672 0.291 6 0 "[ . 1]"
1 112 LEU 2.086 0.291 6 0 "[ . 1]"
1 113 THR 1.759 0.152 10 0 "[ . 1]"
1 114 LYS 0.582 0.152 10 0 "[ . 1]"
1 115 PRO 3.095 0.328 8 0 "[ . 1]"
1 116 LYS 0.445 0.140 7 0 "[ . 1]"
1 117 PRO 2.257 0.328 8 0 "[ . 1]"
1 118 GLN 0.105 0.095 4 0 "[ . 1]"
1 119 ALA 1.389 0.233 3 0 "[ . 1]"
1 120 GLU 0.316 0.125 6 0 "[ . 1]"
1 121 SER 0.178 0.096 7 0 "[ . 1]"
1 122 LYS 0.178 0.096 7 0 "[ . 1]"
1 126 LYS 1.202 0.357 7 0 "[ . 1]"
1 127 GLU 0.223 0.120 2 0 "[ . 1]"
1 128 GLY 0.070 0.070 4 0 "[ . 1]"
1 130 LYS 3.522 0.431 6 0 "[ . 1]"
1 131 GLN 0.038 0.038 9 0 "[ . 1]"
1 132 GLU 0.523 0.181 1 0 "[ . 1]"
1 133 LYS 2.747 0.396 1 0 "[ . 1]"
1 134 MET 0.518 0.396 1 0 "[ . 1]"
1 135 LEU 1.371 0.273 4 0 "[ . 1]"
1 136 ASP 0.458 0.245 1 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 6 PRO HA 1 7 GLU H 2.640 . 2.640 3.085 2.647 3.339 0.699 3 4 "[ +*- * 1]" 1
2 1 6 PRO QB 1 7 GLU H 3.540 . 3.540 1.703 1.576 1.935 0.224 2 0 "[ . 1]" 1
3 1 7 GLU HA 1 7 GLU QG 3.580 . 3.580 2.648 2.359 3.337 . 0 0 "[ . 1]" 1
4 1 7 GLU HA 1 8 LYS H 2.210 . 2.210 2.306 2.096 2.643 0.433 7 0 "[ . 1]" 1
5 1 7 GLU QG 1 8 LYS H 5.110 . 5.110 3.802 2.070 4.492 . 0 0 "[ . 1]" 1
6 1 8 LYS H 1 8 LYS HA 2.700 . 2.700 2.682 2.242 2.911 0.211 5 0 "[ . 1]" 1
7 1 8 LYS H 1 8 LYS QB 3.110 . 3.110 2.762 2.403 3.274 0.164 7 0 "[ . 1]" 1
8 1 8 LYS H 1 8 LYS QG 4.370 . 4.370 3.618 2.187 4.446 0.076 3 0 "[ . 1]" 1
9 1 8 LYS HA 1 8 LYS QG 2.730 . 2.730 2.470 2.322 2.758 0.028 3 0 "[ . 1]" 1
10 1 8 LYS QG 1 9 LYS H 4.220 . 4.220 3.269 1.746 4.376 0.156 7 0 "[ . 1]" 1
11 1 9 LYS H 1 9 LYS HA 2.490 . 2.490 2.659 2.237 2.890 0.400 9 0 "[ . 1]" 1
12 1 9 LYS H 1 9 LYS QG 4.580 . 4.580 3.204 2.172 4.214 . 0 0 "[ . 1]" 1
13 1 9 LYS HA 1 9 LYS QG 2.890 . 2.890 2.432 2.323 2.517 . 0 0 "[ . 1]" 1
14 1 9 LYS HA 1 10 VAL H 2.440 . 2.440 2.214 2.043 2.561 0.121 4 0 "[ . 1]" 1
15 1 9 LYS HA 1 10 VAL HB 4.970 . 4.970 4.474 4.289 4.591 . 0 0 "[ . 1]" 1
16 1 9 LYS QB 1 10 VAL H 3.400 . 3.400 3.108 1.974 3.722 0.322 6 0 "[ . 1]" 1
17 1 9 LYS QB 1 10 VAL HA 4.620 . 4.620 4.288 3.835 4.678 0.058 6 0 "[ . 1]" 1
18 1 9 LYS QG 1 10 VAL H 4.030 . 4.030 3.427 2.490 4.194 0.164 3 0 "[ . 1]" 1
19 1 10 VAL H 1 10 VAL HB 3.470 . 3.470 3.068 2.697 3.467 . 0 0 "[ . 1]" 1
20 1 10 VAL H 1 10 VAL MG1 4.440 . 4.440 2.181 1.967 2.496 . 0 0 "[ . 1]" 1
21 1 10 VAL HA 1 10 VAL MG2 3.740 . 3.740 2.395 2.324 2.443 . 0 0 "[ . 1]" 1
22 1 10 VAL HA 1 11 LYS H 2.440 . 2.440 2.243 2.115 2.408 . 0 0 "[ . 1]" 1
23 1 10 VAL HA 1 11 LYS QB 5.120 . 5.120 4.407 4.186 4.608 . 0 0 "[ . 1]" 1
24 1 10 VAL HA 1 11 LYS QG 4.100 . 4.100 3.562 3.497 3.719 . 0 0 "[ . 1]" 1
25 1 10 VAL HB 1 11 LYS H 3.580 . 3.580 3.858 3.819 3.893 0.313 10 0 "[ . 1]" 1
26 1 10 VAL MG2 1 11 LYS H 3.640 . 3.640 2.073 1.789 2.302 0.011 7 0 "[ . 1]" 1
27 1 10 VAL MG2 1 11 LYS HA 4.790 . 4.790 3.771 3.281 4.023 . 0 0 "[ . 1]" 1
28 1 11 LYS H 1 11 LYS QB 3.400 . 3.400 2.610 2.417 3.259 . 0 0 "[ . 1]" 1
29 1 11 LYS H 1 11 LYS QG 3.410 . 3.410 2.538 2.025 3.132 . 0 0 "[ . 1]" 1
30 1 11 LYS HA 1 12 LYS H 2.570 . 2.570 2.376 2.132 2.718 0.148 5 0 "[ . 1]" 1
31 1 11 LYS QE 1 11 LYS QG 3.240 . 3.240 2.291 2.131 2.379 . 0 0 "[ . 1]" 1
32 1 12 LYS H 1 12 LYS QB 2.830 . 2.830 2.488 2.179 2.862 0.032 3 0 "[ . 1]" 1
33 1 12 LYS H 1 12 LYS QG 3.430 . 3.430 2.787 2.064 3.878 0.448 9 0 "[ . 1]" 1
34 1 12 LYS HA 1 13 SER H 3.330 . 3.330 2.536 2.133 3.521 0.191 10 0 "[ . 1]" 1
35 1 12 LYS QB 1 13 SER H 4.190 . 4.190 3.067 2.012 3.942 . 0 0 "[ . 1]" 1
36 1 13 SER HA 1 14 ASP H 3.060 . 3.060 2.452 2.152 3.205 0.145 3 0 "[ . 1]" 1
37 1 13 SER HA 1 14 ASP QB 4.440 . 4.440 4.474 4.119 4.883 0.443 3 0 "[ . 1]" 1
38 1 13 SER QB 1 14 ASP H 3.760 . 3.760 3.401 1.843 3.885 0.125 1 0 "[ . 1]" 1
39 1 14 ASP H 1 14 ASP QB 3.260 . 3.260 2.460 2.111 2.871 . 0 0 "[ . 1]" 1
40 1 14 ASP HA 1 15 CYS H 3.130 . 3.130 2.256 1.988 2.578 . 0 0 "[ . 1]" 1
41 1 15 CYS H 1 15 CYS QB 3.170 . 3.170 3.130 2.419 3.385 0.215 3 0 "[ . 1]" 1
42 1 15 CYS H 1 16 GLY H 3.380 . 3.380 3.075 2.264 3.792 0.412 2 0 "[ . 1]" 1
43 1 15 CYS HA 1 16 GLY H 3.470 . 3.470 2.874 2.227 3.605 0.135 5 0 "[ . 1]" 1
44 1 16 GLY H 1 40 THR H 4.190 . 4.190 3.698 2.784 4.546 0.356 2 0 "[ . 1]" 1
45 1 16 GLY QA 1 17 GLU H 2.970 . 2.970 2.232 2.125 2.296 . 0 0 "[ . 1]" 1
46 1 16 GLY QA 1 40 THR H 4.910 . 4.910 3.843 2.763 4.670 . 0 0 "[ . 1]" 1
47 1 17 GLU H 1 17 GLU HB2 3.320 . 3.320 2.862 2.236 3.544 0.224 6 0 "[ . 1]" 1
48 1 17 GLU H 1 17 GLU QB 2.880 . 2.880 2.561 2.211 2.913 0.033 1 0 "[ . 1]" 1
49 1 17 GLU H 1 17 GLU HB3 3.320 . 3.320 3.346 2.800 3.655 0.335 7 0 "[ . 1]" 1
50 1 17 GLU H 1 17 GLU QG 3.490 . 3.490 2.468 1.804 3.070 . 0 0 "[ . 1]" 1
51 1 17 GLU HA 1 17 GLU QG 3.550 . 3.550 2.884 2.329 3.541 . 0 0 "[ . 1]" 1
52 1 17 GLU HA 1 18 TRP H 3.050 . 3.050 2.399 2.310 2.482 . 0 0 "[ . 1]" 1
53 1 17 GLU QB 1 18 TRP H 3.120 . 3.120 2.241 2.116 2.427 . 0 0 "[ . 1]" 1
54 1 17 GLU QB 1 18 TRP HB2 4.500 . 4.500 3.570 3.453 3.775 . 0 0 "[ . 1]" 1
55 1 17 GLU HB2 1 18 TRP H 3.610 . 3.610 3.024 2.165 3.648 0.038 4 0 "[ . 1]" 1
56 1 17 GLU HB3 1 18 TRP H 3.610 . 3.610 2.749 2.135 3.522 . 0 0 "[ . 1]" 1
57 1 18 TRP H 1 18 TRP HB2 3.640 . 3.640 2.325 2.276 2.405 . 0 0 "[ . 1]" 1
58 1 18 TRP H 1 18 TRP HD1 3.930 . 3.930 2.842 2.536 3.002 . 0 0 "[ . 1]" 1
59 1 18 TRP H 1 18 TRP HE1 4.350 . 4.350 4.662 4.503 4.783 0.433 6 0 "[ . 1]" 1
60 1 18 TRP H 1 18 TRP HE3 4.580 . 4.580 4.745 4.674 4.838 0.258 2 0 "[ . 1]" 1
61 1 18 TRP HA 1 19 GLN QG 4.750 . 4.750 3.824 3.636 4.120 . 0 0 "[ . 1]" 1
62 1 18 TRP HB2 1 18 TRP HD1 3.610 . 3.610 2.521 2.504 2.560 . 0 0 "[ . 1]" 1
63 1 18 TRP HE3 1 19 GLN H 4.410 . 4.410 3.211 2.986 3.496 . 0 0 "[ . 1]" 1
64 1 18 TRP HE3 1 37 GLY QA 4.250 . 4.250 3.203 2.839 3.460 . 0 0 "[ . 1]" 1
65 1 18 TRP HE3 1 38 THR H 4.090 . 4.090 3.118 2.902 3.354 . 0 0 "[ . 1]" 1
66 1 18 TRP HE3 1 38 THR HA 4.560 . 4.560 3.584 2.864 4.028 . 0 0 "[ . 1]" 1
67 1 18 TRP HH2 1 48 MET H 4.510 . 4.510 4.482 4.121 4.639 0.129 4 0 "[ . 1]" 1
68 1 18 TRP HH2 1 48 MET HA 3.960 . 3.960 3.952 3.733 4.054 0.094 8 0 "[ . 1]" 1
69 1 18 TRP HZ3 1 37 GLY QA 4.500 . 4.500 3.714 3.043 4.519 0.019 2 0 "[ . 1]" 1
70 1 18 TRP HZ3 1 38 THR MG 4.530 . 4.530 4.390 4.096 4.639 0.109 4 0 "[ . 1]" 1
71 1 18 TRP HZ3 1 39 ARG H 4.210 . 4.210 3.731 3.260 4.139 . 0 0 "[ . 1]" 1
72 1 18 TRP HZ3 1 39 ARG HA 5.300 . 5.300 5.337 5.191 5.402 0.102 10 0 "[ . 1]" 1
73 1 18 TRP HZ3 1 48 MET HA 3.700 . 3.700 2.938 2.441 3.415 . 0 0 "[ . 1]" 1
74 1 18 TRP HZ3 1 49 LYS H 3.850 . 3.850 2.913 2.546 3.189 . 0 0 "[ . 1]" 1
75 1 19 GLN H 1 19 GLN QG 3.920 . 3.920 2.572 2.058 2.952 . 0 0 "[ . 1]" 1
76 1 19 GLN H 1 38 THR H 3.940 . 3.940 2.588 2.281 3.070 . 0 0 "[ . 1]" 1
77 1 19 GLN HA 1 19 GLN QG 3.430 . 3.430 2.856 2.487 3.353 . 0 0 "[ . 1]" 1
78 1 19 GLN HA 1 20 TRP H 3.170 . 3.170 2.139 2.067 2.229 . 0 0 "[ . 1]" 1
79 1 19 GLN QB 1 19 GLN QG 2.360 . 2.360 2.045 1.982 2.087 . 0 0 "[ . 1]" 1
80 1 19 GLN QB 1 20 TRP H 4.390 . 4.390 3.255 2.894 3.481 . 0 0 "[ . 1]" 1
81 1 19 GLN QG 1 20 TRP H 4.460 . 4.460 4.428 4.278 4.651 0.191 4 0 "[ . 1]" 1
82 1 20 TRP H 1 20 TRP HB2 3.920 . 3.920 2.489 2.383 2.643 . 0 0 "[ . 1]" 1
83 1 20 TRP H 1 20 TRP QB 3.370 . 3.370 2.451 2.352 2.595 . 0 0 "[ . 1]" 1
84 1 20 TRP H 1 20 TRP HB3 3.920 . 3.920 3.674 3.600 3.785 . 0 0 "[ . 1]" 1
85 1 20 TRP H 1 20 TRP HD1 3.970 . 3.970 3.247 2.802 3.806 . 0 0 "[ . 1]" 1
86 1 20 TRP HA 1 20 TRP HD1 4.970 . 4.970 4.278 4.014 4.556 . 0 0 "[ . 1]" 1
87 1 20 TRP HA 1 20 TRP HE3 3.670 . 3.670 2.723 2.107 3.058 . 0 0 "[ . 1]" 1
88 1 20 TRP HA 1 37 GLY QA 4.890 . 4.890 2.553 2.336 3.181 . 0 0 "[ . 1]" 1
89 1 20 TRP QB 1 20 TRP HD1 2.980 . 2.980 2.496 2.475 2.528 . 0 0 "[ . 1]" 1
90 1 20 TRP QB 1 20 TRP HE3 3.650 . 3.650 2.733 2.604 2.974 . 0 0 "[ . 1]" 1
91 1 20 TRP HB2 1 20 TRP HD1 3.470 . 3.470 2.540 2.518 2.572 . 0 0 "[ . 1]" 1
92 1 20 TRP HB2 1 21 SER H 4.490 . 4.490 4.061 3.883 4.246 . 0 0 "[ . 1]" 1
93 1 20 TRP HB3 1 20 TRP HD1 3.470 . 3.470 3.676 3.551 3.731 0.261 8 0 "[ . 1]" 1
94 1 20 TRP HB3 1 21 SER H 4.490 . 4.490 2.987 2.790 3.312 . 0 0 "[ . 1]" 1
95 1 20 TRP HE3 1 21 SER H 4.540 . 4.540 3.101 2.530 3.510 . 0 0 "[ . 1]" 1
96 1 20 TRP HE3 1 37 GLY HA2 4.260 . 4.260 3.549 3.117 4.140 . 0 0 "[ . 1]" 1
97 1 20 TRP HE3 1 37 GLY QA 3.530 . 3.530 2.856 2.425 3.331 . 0 0 "[ . 1]" 1
98 1 20 TRP HE3 1 37 GLY HA3 4.260 . 4.260 3.019 2.528 3.511 . 0 0 "[ . 1]" 1
99 1 20 TRP HZ3 1 36 GLU HA 5.900 . 5.900 4.376 3.621 5.656 . 0 0 "[ . 1]" 1
100 1 20 TRP HZ3 1 37 GLY H 4.300 . 4.300 3.591 3.202 4.365 0.065 2 0 "[ . 1]" 1
101 1 20 TRP HZ3 1 37 GLY QA 4.540 . 4.540 3.024 2.586 3.801 . 0 0 "[ . 1]" 1
102 1 21 SER H 1 36 GLU H 5.090 . 5.090 3.562 2.976 4.215 . 0 0 "[ . 1]" 1
103 1 21 SER HA 1 22 VAL MG1 4.800 . 4.800 3.563 3.460 3.667 . 0 0 "[ . 1]" 1
104 1 21 SER HA 1 22 VAL MG2 4.500 . 4.500 4.020 3.941 4.107 . 0 0 "[ . 1]" 1
105 1 21 SER QB 1 22 VAL H 3.620 . 3.620 2.615 2.144 3.120 . 0 0 "[ . 1]" 1
106 1 22 VAL H 1 22 VAL HB 3.680 . 3.680 3.694 3.660 3.726 0.046 6 0 "[ . 1]" 1
107 1 22 VAL H 1 22 VAL MG1 3.350 . 3.350 2.574 2.363 2.779 . 0 0 "[ . 1]" 1
108 1 22 VAL H 1 22 VAL MG2 3.180 . 3.180 1.974 1.930 2.039 . 0 0 "[ . 1]" 1
109 1 22 VAL HA 1 23 CYS H 3.320 . 3.320 2.224 1.957 2.394 . 0 0 "[ . 1]" 1
110 1 22 VAL HA 1 23 CYS QB 4.560 . 4.560 4.170 3.873 4.546 . 0 0 "[ . 1]" 1
111 1 22 VAL HB 1 23 CYS H 3.560 . 3.560 2.754 2.496 3.259 . 0 0 "[ . 1]" 1
112 1 22 VAL MG1 1 23 CYS H 5.240 . 5.240 3.707 3.672 3.838 . 0 0 "[ . 1]" 1
113 1 22 VAL MG2 1 23 CYS H 4.080 . 4.080 3.708 3.485 4.057 . 0 0 "[ . 1]" 1
114 1 22 VAL MG2 1 23 CYS QB 5.100 . 5.100 4.831 4.549 5.104 0.004 10 0 "[ . 1]" 1
115 1 23 CYS H 1 23 CYS QB 3.350 . 3.350 2.277 2.085 2.477 . 0 0 "[ . 1]" 1
116 1 23 CYS QB 1 24 VAL H 4.240 . 4.240 3.629 3.143 3.959 . 0 0 "[ . 1]" 1
117 1 24 VAL H 1 34 THR H 3.990 . 3.990 3.187 2.584 3.877 . 0 0 "[ . 1]" 1
118 1 25 PRO HA 1 34 THR H 4.830 . 4.830 4.431 3.886 4.921 0.091 8 0 "[ . 1]" 1
119 1 25 PRO QB 1 26 THR H 3.840 . 3.840 3.251 2.858 3.688 . 0 0 "[ . 1]" 1
120 1 26 THR H 1 26 THR HB 3.800 . 3.800 3.011 2.314 3.660 . 0 0 "[ . 1]" 1
121 1 26 THR H 1 27 SER HB2 4.990 . 4.990 4.690 3.878 5.224 0.234 6 0 "[ . 1]" 1
122 1 26 THR H 1 27 SER QB 4.220 . 4.220 4.230 3.732 4.597 0.377 6 0 "[ . 1]" 1
123 1 26 THR H 1 27 SER HB3 4.990 . 4.990 4.915 4.627 5.101 0.111 6 0 "[ . 1]" 1
124 1 26 THR H 1 33 GLY QA 3.850 . 3.850 3.196 2.137 3.892 0.042 5 0 "[ . 1]" 1
125 1 26 THR H 1 34 THR H 5.240 . 5.240 5.065 3.867 5.505 0.265 10 0 "[ . 1]" 1
126 1 26 THR HA 1 27 SER QB 4.960 . 4.960 4.414 3.987 4.847 . 0 0 "[ . 1]" 1
127 1 26 THR HA 1 33 GLY QA 4.100 . 4.100 4.189 4.066 4.355 0.255 9 0 "[ . 1]" 1
128 1 26 THR HB 1 27 SER H 3.020 . 3.020 2.910 2.298 3.187 0.167 6 0 "[ . 1]" 1
129 1 26 THR HB 1 32 LEU HA 4.290 . 4.290 4.554 4.212 4.714 0.424 2 0 "[ . 1]" 1
130 1 26 THR HB 1 33 GLY QA 4.120 . 4.120 3.393 2.957 3.997 . 0 0 "[ . 1]" 1
131 1 26 THR MG 1 27 SER H 3.750 . 3.750 3.476 2.750 3.806 0.056 6 0 "[ . 1]" 1
132 1 26 THR MG 1 27 SER HA 4.390 . 4.390 4.152 3.892 4.493 0.103 10 0 "[ . 1]" 1
133 1 26 THR MG 1 27 SER HB2 4.560 . 4.560 3.745 2.855 4.746 0.186 5 0 "[ . 1]" 1
134 1 26 THR MG 1 27 SER QB 3.760 . 3.760 3.361 2.778 3.938 0.178 1 0 "[ . 1]" 1
135 1 26 THR MG 1 27 SER HB3 4.560 . 4.560 4.179 3.751 4.629 0.069 4 0 "[ . 1]" 1
136 1 26 THR MG 1 33 GLY QA 4.680 . 4.680 4.249 3.820 4.778 0.098 2 0 "[ . 1]" 1
137 1 27 SER H 1 27 SER HB2 3.670 . 3.670 3.180 2.953 3.353 . 0 0 "[ . 1]" 1
138 1 27 SER H 1 27 SER QB 3.090 . 3.090 2.797 2.459 3.034 . 0 0 "[ . 1]" 1
139 1 27 SER H 1 27 SER HB3 3.670 . 3.670 3.196 2.630 3.742 0.072 10 0 "[ . 1]" 1
140 1 27 SER H 1 31 GLY H 4.290 . 4.290 3.818 3.053 4.508 0.218 6 0 "[ . 1]" 1
141 1 27 SER H 1 33 GLY QA 4.880 . 4.880 4.689 4.302 4.918 0.038 10 0 "[ . 1]" 1
142 1 27 SER H 1 55 ILE MD 6.000 . 6.000 4.027 2.709 4.763 . 0 0 "[ . 1]" 1
143 1 27 SER HA 1 28 GLY H 2.900 . 2.900 2.493 2.115 2.976 0.076 5 0 "[ . 1]" 1
144 1 27 SER HA 1 29 ASP H 4.320 . 4.320 4.139 3.145 4.726 0.406 4 0 "[ . 1]" 1
145 1 27 SER QB 1 28 GLY H 4.020 . 4.020 3.089 2.089 3.846 . 0 0 "[ . 1]" 1
146 1 28 GLY H 1 30 CYS H 4.810 . 4.810 4.268 2.581 5.069 0.259 7 0 "[ . 1]" 1
147 1 28 GLY QA 1 30 CYS H 3.930 . 3.930 3.722 3.199 4.040 0.110 10 0 "[ . 1]" 1
148 1 28 GLY HA2 1 29 ASP H 3.450 . 3.450 3.017 2.309 3.495 0.045 7 0 "[ . 1]" 1
149 1 28 GLY HA2 1 30 CYS H 4.680 . 4.680 4.242 3.623 5.114 0.434 10 0 "[ . 1]" 1
150 1 28 GLY HA3 1 29 ASP H 3.450 . 3.450 3.090 2.097 3.522 0.072 1 0 "[ . 1]" 1
151 1 28 GLY HA3 1 30 CYS H 4.680 . 4.680 4.259 3.310 4.823 0.143 6 0 "[ . 1]" 1
152 1 29 ASP H 1 29 ASP HB2 4.070 . 4.070 3.187 2.273 4.051 . 0 0 "[ . 1]" 1
153 1 29 ASP H 1 29 ASP QB 3.570 . 3.570 2.905 2.248 3.369 . 0 0 "[ . 1]" 1
154 1 29 ASP H 1 29 ASP HB3 4.070 . 4.070 3.635 2.983 4.103 0.033 9 0 "[ . 1]" 1
155 1 29 ASP QB 1 30 CYS H 4.080 . 4.080 3.437 2.333 3.952 . 0 0 "[ . 1]" 1
156 1 30 CYS H 1 30 CYS QB 3.680 . 3.680 3.102 2.544 3.486 . 0 0 "[ . 1]" 1
157 1 30 CYS H 1 55 ILE MD 4.640 . 4.640 4.264 2.873 4.882 0.242 9 0 "[ . 1]" 1
158 1 30 CYS H 1 55 ILE MG 4.840 . 4.840 4.139 2.378 5.002 0.162 5 0 "[ . 1]" 1
159 1 30 CYS QB 1 31 GLY H 4.450 . 4.450 3.767 3.585 4.040 . 0 0 "[ . 1]" 1
160 1 30 CYS QB 1 55 ILE MG 4.190 . 4.190 3.612 2.787 4.259 0.069 9 0 "[ . 1]" 1
161 1 31 GLY H 1 55 ILE HB 4.040 . 4.040 3.671 2.340 4.172 0.132 2 0 "[ . 1]" 1
162 1 31 GLY H 1 55 ILE MD 4.550 . 4.550 2.855 1.720 4.540 0.080 2 0 "[ . 1]" 1
163 1 31 GLY H 1 55 ILE MG 4.280 . 4.280 2.722 2.069 3.402 . 0 0 "[ . 1]" 1
164 1 31 GLY QA 1 55 ILE QG 5.010 . 5.010 4.701 3.697 5.292 0.282 5 0 "[ . 1]" 1
165 1 32 LEU HA 1 32 LEU MD1 4.120 . 4.120 2.068 1.974 2.117 . 0 0 "[ . 1]" 1
166 1 32 LEU HA 1 33 GLY H 3.310 . 3.310 2.209 2.066 2.419 . 0 0 "[ . 1]" 1
167 1 32 LEU QB 1 32 LEU MD1 2.740 . 2.740 2.311 2.265 2.391 . 0 0 "[ . 1]" 1
168 1 32 LEU MD1 1 33 GLY H 3.620 . 3.620 2.785 2.152 3.699 0.079 8 0 "[ . 1]" 1
169 1 33 GLY H 1 34 THR MG 6.000 . 6.000 4.703 4.104 5.686 . 0 0 "[ . 1]" 1
170 1 33 GLY H 1 53 CYS H 4.020 . 4.020 3.574 3.026 4.035 0.015 5 0 "[ . 1]" 1
171 1 33 GLY QA 1 34 THR H 3.110 . 3.110 2.281 2.151 2.413 . 0 0 "[ . 1]" 1
172 1 33 GLY QA 1 34 THR MG 4.600 . 4.600 3.690 3.462 4.848 0.248 6 0 "[ . 1]" 1
173 1 34 THR H 1 34 THR MG 4.400 . 4.400 3.398 3.218 4.001 . 0 0 "[ . 1]" 1
174 1 34 THR HA 1 34 THR MG 3.320 . 3.320 2.244 2.194 2.290 . 0 0 "[ . 1]" 1
175 1 34 THR HA 1 35 ARG H 3.540 . 3.540 2.264 2.202 2.313 . 0 0 "[ . 1]" 1
176 1 34 THR HA 1 35 ARG QB 4.600 . 4.600 4.116 3.869 4.418 . 0 0 "[ . 1]" 1
177 1 34 THR HA 1 52 ARG HA 3.890 . 3.890 2.190 1.907 2.360 . 0 0 "[ . 1]" 1
178 1 34 THR HA 1 52 ARG QB 5.360 . 5.360 4.007 3.629 4.368 . 0 0 "[ . 1]" 1
179 1 34 THR HA 1 53 CYS H 3.800 . 3.800 2.659 2.111 2.974 . 0 0 "[ . 1]" 1
180 1 34 THR HB 1 35 ARG H 3.760 . 3.760 2.744 2.501 3.663 . 0 0 "[ . 1]" 1
181 1 34 THR HB 1 53 CYS H 5.660 . 5.660 5.259 4.685 5.586 . 0 0 "[ . 1]" 1
182 1 34 THR MG 1 35 ARG H 4.730 . 4.730 3.212 2.055 3.510 . 0 0 "[ . 1]" 1
183 1 34 THR MG 1 52 ARG HA 3.790 . 3.790 2.413 2.241 2.816 . 0 0 "[ . 1]" 1
184 1 34 THR MG 1 53 CYS H 5.010 . 5.010 3.749 3.480 4.053 . 0 0 "[ . 1]" 1
185 1 35 ARG H 1 36 GLU H 4.830 . 4.830 4.338 4.257 4.411 . 0 0 "[ . 1]" 1
186 1 35 ARG H 1 36 GLU HA 4.600 . 4.600 4.667 4.594 4.746 0.146 6 0 "[ . 1]" 1
187 1 35 ARG H 1 52 ARG HA 4.310 . 4.310 3.471 3.155 3.710 . 0 0 "[ . 1]" 1
188 1 35 ARG H 1 52 ARG QB 5.520 . 5.520 5.282 4.957 5.581 0.061 3 0 "[ . 1]" 1
189 1 35 ARG H 1 53 CYS H 4.620 . 4.620 4.247 3.455 4.754 0.134 4 0 "[ . 1]" 1
190 1 36 GLU H 1 36 GLU QG 4.350 . 4.350 2.890 2.144 4.094 . 0 0 "[ . 1]" 1
191 1 36 GLU H 1 50 THR MG 4.890 . 4.890 4.476 4.152 4.943 0.053 4 0 "[ . 1]" 1
192 1 36 GLU HA 1 50 THR MG 4.150 . 4.150 2.729 2.037 2.976 . 0 0 "[ . 1]" 1
193 1 36 GLU HA 1 51 GLN H 3.980 . 3.980 3.435 3.076 3.704 . 0 0 "[ . 1]" 1
194 1 37 GLY H 1 49 LYS H 4.020 . 4.020 3.258 2.925 3.573 . 0 0 "[ . 1]" 1
195 1 37 GLY H 1 50 THR HA 4.180 . 4.180 3.255 2.979 3.388 . 0 0 "[ . 1]" 1
196 1 37 GLY H 1 50 THR MG 4.530 . 4.530 4.154 3.158 4.638 0.108 5 0 "[ . 1]" 1
197 1 38 THR H 1 38 THR MG 3.870 . 3.870 3.137 2.858 3.899 0.029 9 0 "[ . 1]" 1
198 1 38 THR HA 1 39 ARG H 3.480 . 3.480 2.324 2.263 2.397 . 0 0 "[ . 1]" 1
199 1 38 THR HA 1 48 MET QB 4.570 . 4.570 3.559 2.740 4.078 . 0 0 "[ . 1]" 1
200 1 38 THR HB 1 39 ARG H 3.880 . 3.880 2.824 2.598 3.826 . 0 0 "[ . 1]" 1
201 1 38 THR HB 1 39 ARG HA 4.780 . 4.780 4.313 4.098 4.542 . 0 0 "[ . 1]" 1
202 1 38 THR HB 1 48 MET QB 5.120 . 5.120 4.242 2.593 5.174 0.054 3 0 "[ . 1]" 1
203 1 38 THR HB 1 48 MET QG 4.440 . 4.440 3.957 2.521 4.702 0.262 1 0 "[ . 1]" 1
204 1 38 THR MG 1 39 ARG H . . 4.550 3.529 2.201 3.939 . 0 0 "[ . 1]" 1
205 1 38 THR MG 1 48 MET HA 4.720 . 4.720 2.841 2.567 3.412 . 0 0 "[ . 1]" 1
206 1 38 THR MG 1 48 MET QB 3.060 . 3.060 2.404 1.783 3.107 0.047 3 0 "[ . 1]" 1
207 1 38 THR MG 1 48 MET QG 3.730 . 3.730 2.417 1.947 3.670 . 0 0 "[ . 1]" 1
208 1 38 THR MG 1 49 LYS H 4.510 . 4.510 3.614 3.082 4.452 . 0 0 "[ . 1]" 1
209 1 39 ARG H 1 47 THR HA 5.040 . 5.040 4.795 4.518 5.120 0.080 4 0 "[ . 1]" 1
210 1 39 ARG H 1 47 THR HB 3.760 . 3.760 3.134 2.818 3.591 . 0 0 "[ . 1]" 1
211 1 39 ARG HA 1 40 THR H 3.250 . 3.250 2.398 2.345 2.443 . 0 0 "[ . 1]" 1
212 1 39 ARG HA 1 47 THR HB 4.700 . 4.700 4.600 4.187 4.806 0.106 3 0 "[ . 1]" 1
213 1 39 ARG QB 1 40 THR H 3.590 . 3.590 3.392 3.343 3.471 . 0 0 "[ . 1]" 1
214 1 40 THR H 1 40 THR HB 3.670 . 3.670 3.396 2.945 3.699 0.029 4 0 "[ . 1]" 1
215 1 40 THR H 1 40 THR MG 4.290 . 4.290 3.232 2.103 4.029 . 0 0 "[ . 1]" 1
216 1 40 THR HA 1 40 THR MG . . 3.560 2.406 2.170 3.215 . 0 0 "[ . 1]" 1
217 1 40 THR HA 1 41 GLY H 2.950 . 2.950 2.289 2.180 2.401 . 0 0 "[ . 1]" 1
218 1 40 THR HB 1 41 GLY H 3.200 . 3.200 3.098 2.463 3.626 0.426 8 0 "[ . 1]" 1
219 1 40 THR MG 1 41 GLY H 3.320 . 3.320 3.032 1.845 3.417 0.097 1 0 "[ . 1]" 1
220 1 41 GLY QA 1 43 GLU H 4.460 . 4.460 3.282 3.046 3.604 . 0 0 "[ . 1]" 1
221 1 41 GLY QA 1 44 CYS H 4.470 . 4.470 3.499 3.195 3.909 . 0 0 "[ . 1]" 1
222 1 41 GLY HA2 1 42 ALA H 3.500 . 3.500 2.792 2.636 3.036 . 0 0 "[ . 1]" 1
223 1 41 GLY HA3 1 42 ALA H 3.500 . 3.500 2.457 2.268 2.580 . 0 0 "[ . 1]" 1
224 1 42 ALA H 1 43 GLU QG 4.320 . 4.320 3.955 3.155 4.265 . 0 0 "[ . 1]" 1
225 1 42 ALA H 1 44 CYS H 4.370 . 4.370 3.802 3.372 4.056 . 0 0 "[ . 1]" 1
226 1 42 ALA HA 1 44 CYS H 4.110 . 4.110 3.685 3.466 4.155 0.045 8 0 "[ . 1]" 1
227 1 42 ALA MB 1 43 GLU H 4.500 . 4.500 2.708 2.468 2.915 . 0 0 "[ . 1]" 1
228 1 42 ALA MB 1 43 GLU QG 3.400 . 3.400 3.038 2.632 3.514 0.114 1 0 "[ . 1]" 1
229 1 43 GLU H 1 43 GLU QB 3.530 . 3.530 2.600 2.398 2.892 . 0 0 "[ . 1]" 1
230 1 43 GLU H 1 43 GLU QG 3.270 . 3.270 2.257 1.768 2.588 0.032 5 0 "[ . 1]" 1
231 1 43 GLU HA 1 43 GLU QG 3.200 . 3.200 2.851 2.456 3.309 0.109 1 0 "[ . 1]" 1
232 1 43 GLU HA 1 44 CYS H 3.170 . 3.170 3.183 2.943 3.377 0.207 8 0 "[ . 1]" 1
233 1 43 GLU QB 1 44 CYS H 3.980 . 3.980 3.551 3.201 3.937 . 0 0 "[ . 1]" 1
234 1 45 LYS H 1 46 GLN H 4.570 . 4.570 3.637 2.264 4.516 . 0 0 "[ . 1]" 1
235 1 45 LYS HA 1 45 LYS QD 3.150 . 3.150 2.175 1.942 3.495 0.345 2 0 "[ . 1]" 1
236 1 45 LYS HA 1 45 LYS QG 3.100 . 3.100 2.859 2.396 3.379 0.279 2 0 "[ . 1]" 1
237 1 45 LYS QB 1 46 GLN H 3.580 . 3.580 2.823 1.956 3.623 0.043 8 0 "[ . 1]" 1
238 1 45 LYS QD 1 45 LYS QE 2.310 . 2.310 2.041 1.994 2.091 . 0 0 "[ . 1]" 1
239 1 45 LYS QG 1 46 GLN H 4.510 . 4.510 4.080 1.746 4.652 0.142 3 0 "[ . 1]" 1
240 1 46 GLN H 1 46 GLN HG2 4.210 . 4.210 3.485 2.834 4.281 0.071 7 0 "[ . 1]" 1
241 1 46 GLN H 1 46 GLN QG 3.660 . 3.660 2.829 2.282 3.924 0.264 7 0 "[ . 1]" 1
242 1 46 GLN H 1 46 GLN HG3 4.210 . 4.210 3.347 2.316 4.558 0.348 7 0 "[ . 1]" 1
243 1 46 GLN H 1 47 THR H 4.340 . 4.340 3.640 2.599 4.394 0.054 4 0 "[ . 1]" 1
244 1 46 GLN H 1 47 THR MG . . 5.740 5.734 5.288 5.961 0.221 1 0 "[ . 1]" 1
245 1 46 GLN HA 1 46 GLN HG2 4.180 . 4.180 2.798 2.429 3.718 . 0 0 "[ . 1]" 1
246 1 46 GLN HA 1 46 GLN QG 3.650 . 3.650 2.585 2.339 3.356 . 0 0 "[ . 1]" 1
247 1 46 GLN HA 1 46 GLN HG3 4.180 . 4.180 3.189 2.423 3.822 . 0 0 "[ . 1]" 1
248 1 46 GLN QB 1 46 GLN QG 2.320 . 2.320 2.065 2.000 2.095 . 0 0 "[ . 1]" 1
249 1 47 THR H 1 48 MET H 4.790 . 4.790 3.979 2.851 4.524 . 0 0 "[ . 1]" 1
250 1 47 THR HA 1 47 THR MG 3.460 . 3.460 2.227 2.171 2.288 . 0 0 "[ . 1]" 1
251 1 47 THR HB 1 48 MET H 4.000 . 4.000 4.060 3.781 4.285 0.285 9 0 "[ . 1]" 1
252 1 48 MET H 1 48 MET HB2 4.020 . 4.020 3.151 2.577 3.878 . 0 0 "[ . 1]" 1
253 1 48 MET H 1 48 MET QB 3.490 . 3.490 2.749 2.506 3.236 . 0 0 "[ . 1]" 1
254 1 48 MET H 1 48 MET HB3 4.020 . 4.020 3.315 2.627 3.856 . 0 0 "[ . 1]" 1
255 1 48 MET H 1 48 MET QG 4.680 . 4.680 3.354 2.375 4.259 . 0 0 "[ . 1]" 1
256 1 48 MET HA 1 48 MET QG 3.490 . 3.490 2.654 2.423 3.335 . 0 0 "[ . 1]" 1
257 1 48 MET HA 1 49 LYS H 3.310 . 3.310 2.225 2.155 2.286 . 0 0 "[ . 1]" 1
258 1 48 MET QB 1 49 LYS H 3.590 . 3.590 3.059 2.573 3.669 0.079 8 0 "[ . 1]" 1
259 1 48 MET HB2 1 49 LYS H 4.130 . 4.130 3.701 2.626 4.122 . 0 0 "[ . 1]" 1
260 1 48 MET HB3 1 49 LYS H 4.130 . 4.130 3.472 2.638 4.116 . 0 0 "[ . 1]" 1
261 1 48 MET QG 1 49 LYS H 4.580 . 4.580 3.377 2.201 4.166 . 0 0 "[ . 1]" 1
262 1 49 LYS H 1 49 LYS QG 4.750 . 4.750 3.819 2.997 4.261 . 0 0 "[ . 1]" 1
263 1 49 LYS HA 1 49 LYS QD 3.380 . 3.380 2.724 1.986 3.870 0.490 5 0 "[ . 1]" 1
264 1 49 LYS HA 1 49 LYS QG 3.660 . 3.660 2.661 2.273 2.983 . 0 0 "[ . 1]" 1
265 1 49 LYS HA 1 50 THR H 3.070 . 3.070 2.221 2.133 2.296 . 0 0 "[ . 1]" 1
266 1 49 LYS QB 1 49 LYS QD 3.140 . 3.140 2.267 2.050 2.678 . 0 0 "[ . 1]" 1
267 1 49 LYS QB 1 50 THR H 3.660 . 3.660 3.373 2.785 3.742 0.082 2 0 "[ . 1]" 1
268 1 49 LYS QG 1 50 THR H 4.080 . 4.080 3.301 2.401 4.472 0.392 9 0 "[ . 1]" 1
269 1 50 THR H 1 50 THR HB 3.520 . 3.520 3.087 2.689 3.643 0.123 9 0 "[ . 1]" 1
270 1 50 THR HA 1 50 THR MG 3.580 . 3.580 2.262 2.218 2.305 . 0 0 "[ . 1]" 1
271 1 50 THR HA 1 51 GLN H 3.530 . 3.530 2.225 2.181 2.312 . 0 0 "[ . 1]" 1
272 1 50 THR HB 1 51 GLN H 3.740 . 3.740 3.554 3.030 3.896 0.156 3 0 "[ . 1]" 1
273 1 50 THR MG 1 51 GLN H 3.730 . 3.730 2.909 2.347 3.736 0.006 6 0 "[ . 1]" 1
274 1 51 GLN HA 1 52 ARG H 3.290 . 3.290 2.198 2.033 2.362 . 0 0 "[ . 1]" 1
275 1 51 GLN HA 1 52 ARG QD 5.740 . 5.740 4.775 2.618 5.841 0.101 4 0 "[ . 1]" 1
276 1 51 GLN HA 1 52 ARG QG 3.840 . 3.840 3.868 3.587 4.168 0.328 7 0 "[ . 1]" 1
277 1 52 ARG H 1 52 ARG QB 3.530 . 3.530 2.625 2.368 3.054 . 0 0 "[ . 1]" 1
278 1 52 ARG H 1 52 ARG QD 4.520 . 4.520 3.440 1.743 4.589 0.069 9 0 "[ . 1]" 1
279 1 52 ARG H 1 52 ARG QG 3.630 . 3.630 2.456 1.985 3.124 . 0 0 "[ . 1]" 1
280 1 52 ARG HA 1 53 CYS H 3.170 . 3.170 2.230 1.928 2.376 . 0 0 "[ . 1]" 1
281 1 52 ARG QB 1 52 ARG QD 3.310 . 3.310 2.157 2.084 2.264 . 0 0 "[ . 1]" 1
282 1 52 ARG QB 1 53 CYS H 3.700 . 3.700 3.058 2.846 3.397 . 0 0 "[ . 1]" 1
283 1 52 ARG QD 1 53 CYS H 4.810 . 4.810 4.975 4.760 5.129 0.319 3 0 "[ . 1]" 1
284 1 53 CYS QB 1 54 LYS H 3.610 . 3.610 2.713 1.870 3.541 . 0 0 "[ . 1]" 1
285 1 54 LYS H 1 54 LYS HB2 4.160 . 4.160 2.947 2.487 3.748 . 0 0 "[ . 1]" 1
286 1 54 LYS H 1 54 LYS QB 3.500 . 3.500 2.459 2.310 2.811 . 0 0 "[ . 1]" 1
287 1 54 LYS H 1 54 LYS HB3 4.160 . 4.160 2.826 2.359 3.719 . 0 0 "[ . 1]" 1
288 1 54 LYS H 1 54 LYS HG2 4.510 . 4.510 4.159 2.073 4.708 0.198 6 0 "[ . 1]" 1
289 1 54 LYS H 1 54 LYS QG 3.960 . 3.960 3.604 2.057 4.068 0.108 5 0 "[ . 1]" 1
290 1 54 LYS H 1 54 LYS HG3 4.510 . 4.510 4.163 2.925 4.641 0.131 9 0 "[ . 1]" 1
291 1 54 LYS HB2 1 55 ILE H 4.350 . 4.350 3.986 2.903 4.379 0.029 5 0 "[ . 1]" 1
292 1 54 LYS HB3 1 55 ILE H 4.350 . 4.350 3.816 2.889 4.453 0.103 4 0 "[ . 1]" 1
293 1 54 LYS QG 1 55 ILE H 3.620 . 3.620 2.950 2.167 3.770 0.150 3 0 "[ . 1]" 1
294 1 54 LYS HG2 1 55 ILE H 4.260 . 4.260 3.376 2.207 4.577 0.317 2 0 "[ . 1]" 1
295 1 54 LYS HG3 1 55 ILE H 4.260 . 4.260 3.451 2.791 4.632 0.372 3 0 "[ . 1]" 1
296 1 55 ILE H 1 55 ILE HB 3.720 . 3.720 2.803 2.467 3.241 . 0 0 "[ . 1]" 1
297 1 55 ILE H 1 55 ILE QG 4.400 . 4.400 3.515 2.483 4.090 . 0 0 "[ . 1]" 1
298 1 55 ILE HA 1 55 ILE MD 4.050 . 4.050 3.049 2.082 3.822 . 0 0 "[ . 1]" 1
299 1 55 ILE MD 1 55 ILE MG 3.380 . 3.380 2.334 1.900 3.249 . 0 0 "[ . 1]" 1
300 1 58 ASN HA 1 59 TRP H 3.260 . 3.260 2.202 2.066 2.252 . 0 0 "[ . 1]" 1
301 1 58 ASN QB 1 58 ASN QD 3.070 . 3.070 2.194 2.106 2.682 . 0 0 "[ . 1]" 1
302 1 58 ASN QB 1 59 TRP H 4.030 . 4.030 2.924 2.683 3.478 . 0 0 "[ . 1]" 1
303 1 59 TRP H 1 59 TRP QB 3.410 . 3.410 2.956 2.406 3.375 . 0 0 "[ . 1]" 1
304 1 59 TRP H 1 59 TRP HD1 3.880 . 3.880 3.445 2.488 4.042 0.162 6 0 "[ . 1]" 1
305 1 59 TRP H 1 59 TRP HE1 4.950 . 4.950 4.814 4.272 5.103 0.153 1 0 "[ . 1]" 1
306 1 59 TRP H 1 60 LYS H 4.570 . 4.570 3.830 2.832 4.610 0.040 8 0 "[ . 1]" 1
307 1 59 TRP HA 1 59 TRP HD1 4.650 . 4.650 4.363 4.077 4.631 . 0 0 "[ . 1]" 1
308 1 59 TRP HA 1 59 TRP HE3 4.240 . 4.240 3.261 2.654 4.290 0.050 10 0 "[ . 1]" 1
309 1 59 TRP QB 1 60 LYS H 4.100 . 4.100 3.312 2.328 3.894 . 0 0 "[ . 1]" 1
310 1 60 LYS H 1 60 LYS QG 4.340 . 4.340 2.934 2.018 4.006 . 0 0 "[ . 1]" 1
311 1 60 LYS H 1 61 LYS H 4.380 . 4.380 3.827 2.162 4.495 0.115 7 0 "[ . 1]" 1
312 1 60 LYS HA 1 60 LYS QD 3.850 . 3.850 3.924 2.693 4.196 0.346 4 0 "[ . 1]" 1
313 1 60 LYS HA 1 60 LYS QG 3.350 . 3.350 2.688 2.346 3.337 . 0 0 "[ . 1]" 1
314 1 60 LYS HA 1 61 LYS H 3.210 . 3.210 2.706 2.144 3.488 0.278 9 0 "[ . 1]" 1
315 1 60 LYS QG 1 61 LYS H 4.110 . 4.110 3.736 3.274 4.130 0.020 2 0 "[ . 1]" 1
316 1 61 LYS H 1 61 LYS QB 3.050 . 3.050 2.551 2.285 2.847 . 0 0 "[ . 1]" 1
317 1 61 LYS H 1 61 LYS QG 3.670 . 3.670 2.632 1.827 3.940 0.270 9 0 "[ . 1]" 1
318 1 61 LYS HA 1 61 LYS QG 3.490 . 3.490 2.602 2.310 3.368 . 0 0 "[ . 1]" 1
319 1 61 LYS HA 1 62 GLN H 3.210 . 3.210 2.551 2.109 3.405 0.195 5 0 "[ . 1]" 1
320 1 61 LYS HA 1 62 GLN QG 5.210 . 5.210 4.510 3.593 5.611 0.401 5 0 "[ . 1]" 1
321 1 61 LYS QE 1 61 LYS QG 3.220 . 3.220 2.306 2.137 2.404 . 0 0 "[ . 1]" 1
322 1 61 LYS QG 1 62 GLN H 4.060 . 4.060 4.047 3.783 4.349 0.289 9 0 "[ . 1]" 1
323 1 62 GLN H 1 62 GLN QG 4.210 . 4.210 3.207 2.139 4.180 . 0 0 "[ . 1]" 1
324 1 62 GLN H 1 63 PHE HA 3.890 . 3.890 4.147 4.066 4.271 0.381 8 0 "[ . 1]" 1
325 1 62 GLN HA 1 62 GLN QG 3.500 . 3.500 2.691 2.308 3.362 . 0 0 "[ . 1]" 1
326 1 62 GLN HA 1 63 PHE H 3.240 . 3.240 2.536 2.141 3.077 . 0 0 "[ . 1]" 1
327 1 62 GLN QB 1 63 PHE H 3.990 . 3.990 3.709 3.250 4.009 0.019 9 0 "[ . 1]" 1
328 1 62 GLN QB 1 63 PHE HA 4.960 . 4.960 4.541 4.194 5.121 0.161 2 0 "[ . 1]" 1
329 1 62 GLN QG 1 63 PHE H 4.560 . 4.560 4.106 2.847 4.438 . 0 0 "[ . 1]" 1
330 1 63 PHE H 1 63 PHE HB2 3.640 . 3.640 2.549 2.382 3.278 . 0 0 "[ . 1]" 1
331 1 63 PHE H 1 63 PHE HB3 3.640 . 3.640 3.628 3.590 3.672 0.032 4 0 "[ . 1]" 1
332 1 63 PHE HA 1 63 PHE QD 3.410 . 3.410 2.836 2.267 3.127 . 0 0 "[ . 1]" 1
333 1 63 PHE HA 1 64 GLY H 2.900 . 2.900 2.669 2.144 3.391 0.491 2 0 "[ . 1]" 1
334 1 63 PHE HA 1 64 GLY QA 4.530 . 4.530 4.001 3.881 4.184 . 0 0 "[ . 1]" 1
335 1 63 PHE HA 1 103 VAL MG1 6.000 . 6.000 4.941 3.681 6.038 0.038 2 0 "[ . 1]" 1
336 1 63 PHE HB2 1 64 GLY H 4.260 . 4.260 3.982 3.154 4.428 0.168 7 0 "[ . 1]" 1
337 1 63 PHE HB3 1 64 GLY H 4.260 . 4.260 3.658 2.109 4.379 0.119 10 0 "[ . 1]" 1
338 1 63 PHE QD 1 69 TYR QE 4.110 . 4.110 3.817 3.284 4.169 0.059 6 0 "[ . 1]" 1
339 1 63 PHE QD 1 103 VAL MG1 4.670 . 4.670 3.201 2.383 4.658 . 0 0 "[ . 1]" 1
340 1 63 PHE QD 1 103 VAL MG2 5.160 . 5.160 3.400 2.646 4.254 . 0 0 "[ . 1]" 1
341 1 63 PHE QE 1 103 VAL HB 4.070 . 4.070 3.491 2.562 4.147 0.077 4 0 "[ . 1]" 1
342 1 63 PHE QE 1 103 VAL MG1 4.350 . 4.350 3.023 2.075 3.982 . 0 0 "[ . 1]" 1
343 1 63 PHE QE 1 103 VAL MG2 4.230 . 4.230 2.947 2.122 3.926 . 0 0 "[ . 1]" 1
344 1 63 PHE QE 1 105 ILE MD 4.780 . 4.780 3.639 2.203 4.791 0.011 6 0 "[ . 1]" 1
345 1 63 PHE QE 1 105 ILE MG . . 4.240 3.961 3.257 4.340 0.100 1 0 "[ . 1]" 1
346 1 64 GLY QA 1 65 ALA H 2.940 . 2.940 2.370 2.119 2.882 . 0 0 "[ . 1]" 1
347 1 64 GLY QA 1 65 ALA MB 5.270 . 5.270 3.806 3.626 4.239 . 0 0 "[ . 1]" 1
348 1 64 GLY QA 1 66 GLU H 4.750 . 4.750 3.896 3.092 4.563 . 0 0 "[ . 1]" 1
349 1 65 ALA H 1 66 GLU QG 5.120 . 5.120 4.290 3.331 5.134 0.014 2 0 "[ . 1]" 1
350 1 65 ALA H 1 67 CYS H 4.620 . 4.620 3.145 2.339 3.887 . 0 0 "[ . 1]" 1
351 1 65 ALA MB 1 66 GLU H 3.690 . 3.690 2.486 1.832 3.516 . 0 0 "[ . 1]" 1
352 1 65 ALA MB 1 66 GLU QG 4.010 . 4.010 3.185 2.565 4.002 . 0 0 "[ . 1]" 1
353 1 65 ALA MB 1 67 CYS H 5.710 . 5.710 3.972 3.292 4.573 . 0 0 "[ . 1]" 1
354 1 66 GLU H 1 66 GLU QB 3.470 . 3.470 2.467 2.316 2.853 . 0 0 "[ . 1]" 1
355 1 66 GLU H 1 66 GLU QG 3.320 . 3.320 2.450 2.157 2.796 . 0 0 "[ . 1]" 1
356 1 66 GLU QB 1 67 CYS H 4.210 . 4.210 3.179 2.887 3.641 . 0 0 "[ . 1]" 1
357 1 66 GLU QG 1 67 CYS H 4.420 . 4.420 4.042 2.624 4.365 . 0 0 "[ . 1]" 1
358 1 67 CYS H 1 67 CYS QB 3.640 . 3.640 2.619 2.205 3.222 . 0 0 "[ . 1]" 1
359 1 68 LYS H 1 68 LYS QB 3.500 . 3.500 2.596 2.435 2.701 . 0 0 "[ . 1]" 1
360 1 68 LYS H 1 68 LYS HG2 4.540 . 4.540 4.194 3.876 4.431 . 0 0 "[ . 1]" 1
361 1 68 LYS H 1 68 LYS QG 3.890 . 3.890 3.282 2.691 4.025 0.135 3 0 "[ . 1]" 1
362 1 68 LYS H 1 68 LYS HG3 4.540 . 4.540 3.486 2.745 4.619 0.079 3 0 "[ . 1]" 1
363 1 68 LYS H 1 90 LEU MD1 4.750 . 4.750 4.563 3.841 5.434 0.684 6 1 "[ .+ 1]" 1
364 1 68 LYS H 1 90 LEU QD 5.120 . 5.120 3.095 2.196 4.459 . 0 0 "[ . 1]" 1
365 1 68 LYS HA 1 68 LYS QG 3.660 . 3.660 2.378 2.309 2.495 . 0 0 "[ . 1]" 1
366 1 68 LYS HA 1 69 TYR H 3.190 . 3.190 2.156 2.111 2.256 . 0 0 "[ . 1]" 1
367 1 68 LYS QB 1 69 TYR H 3.800 . 3.800 3.191 2.706 3.673 . 0 0 "[ . 1]" 1
368 1 68 LYS QG 1 69 TYR H 4.160 . 4.160 3.696 2.327 4.189 0.029 4 0 "[ . 1]" 1
369 1 69 TYR HA 1 69 TYR QD 3.870 . 3.870 2.334 2.006 2.790 . 0 0 "[ . 1]" 1
370 1 69 TYR HA 1 69 TYR QE 4.050 . 4.050 4.245 4.124 4.449 0.399 8 0 "[ . 1]" 1
371 1 69 TYR HA 1 91 LYS H 4.450 . 4.450 3.156 2.641 4.034 . 0 0 "[ . 1]" 1
372 1 69 TYR HB3 1 70 GLN H 4.140 . 4.140 3.033 2.665 3.621 . 0 0 "[ . 1]" 1
373 1 69 TYR QD 1 70 GLN H 4.190 . 4.190 3.426 3.002 4.033 . 0 0 "[ . 1]" 1
374 1 69 TYR QD 1 89 SER H 4.380 . 4.380 3.740 3.618 3.912 . 0 0 "[ . 1]" 1
375 1 69 TYR QD 1 89 SER HA 4.620 . 4.620 3.968 3.060 4.853 0.233 10 0 "[ . 1]" 1
376 1 69 TYR QD 1 90 LEU H 4.350 . 4.350 3.656 2.850 4.459 0.109 10 0 "[ . 1]" 1
377 1 69 TYR QD 1 90 LEU HA 3.850 . 3.850 2.328 1.949 3.047 . 0 0 "[ . 1]" 1
378 1 69 TYR QD 1 90 LEU HB3 4.970 . 4.970 4.402 3.309 4.827 . 0 0 "[ . 1]" 1
379 1 69 TYR QD 1 90 LEU MD1 4.280 . 4.280 4.500 4.033 4.767 0.487 2 0 "[ . 1]" 1
380 1 69 TYR QD 1 90 LEU HG 5.520 . 5.520 4.679 3.523 5.531 0.011 6 0 "[ . 1]" 1
381 1 69 TYR QD 1 103 VAL MG1 5.270 . 5.270 4.549 3.391 5.267 . 0 0 "[ . 1]" 1
382 1 69 TYR QD 1 103 VAL MG2 5.060 . 5.060 3.653 2.161 4.391 . 0 0 "[ . 1]" 1
383 1 69 TYR QE 1 89 SER HA 3.790 . 3.790 3.891 3.599 4.122 0.332 5 0 "[ . 1]" 1
384 1 69 TYR QE 1 90 LEU HA 3.920 . 3.920 2.880 2.212 3.753 . 0 0 "[ . 1]" 1
385 1 69 TYR QE 1 90 LEU HB3 4.000 . 4.000 3.279 1.976 4.047 0.047 8 0 "[ . 1]" 1
386 1 69 TYR QE 1 90 LEU MD1 3.620 . 3.620 3.952 3.596 4.200 0.580 10 1 "[ . +]" 1
387 1 69 TYR QE 1 90 LEU MD2 5.000 . 5.000 3.146 1.900 4.925 . 0 0 "[ . 1]" 1
388 1 69 TYR QE 1 90 LEU HG 4.870 . 4.870 3.601 2.798 4.213 . 0 0 "[ . 1]" 1
389 1 69 TYR QE 1 101 LYS HA 5.630 . 5.630 4.168 3.648 4.928 . 0 0 "[ . 1]" 1
390 1 70 GLN H 1 70 GLN QB 3.640 . 3.640 2.437 2.329 2.514 . 0 0 "[ . 1]" 1
391 1 70 GLN H 1 70 GLN QG 4.380 . 4.380 3.823 2.466 4.236 . 0 0 "[ . 1]" 1
392 1 70 GLN H 1 89 SER H 3.900 . 3.900 2.895 2.563 3.621 . 0 0 "[ . 1]" 1
393 1 70 GLN H 1 91 LYS H 4.480 . 4.480 4.190 3.942 4.483 0.003 6 0 "[ . 1]" 1
394 1 70 GLN H 1 91 LYS QG 4.310 . 4.310 3.281 2.871 4.326 0.016 10 0 "[ . 1]" 1
395 1 70 GLN HA 1 70 GLN QG 3.400 . 3.400 2.524 2.365 2.956 . 0 0 "[ . 1]" 1
396 1 70 GLN QB 1 89 SER H 4.460 . 4.460 3.523 2.540 4.568 0.108 4 0 "[ . 1]" 1
397 1 70 GLN QG 1 71 PHE H 4.040 . 4.040 3.222 2.468 4.019 . 0 0 "[ . 1]" 1
398 1 70 GLN QG 1 91 LYS QG 4.610 . 4.610 3.891 2.359 4.843 0.233 4 0 "[ . 1]" 1
399 1 71 PHE QB 1 72 GLN HA 4.760 . 4.760 4.366 4.127 4.759 . 0 0 "[ . 1]" 1
400 1 71 PHE HB2 1 72 GLN H 4.250 . 4.250 3.573 2.669 4.394 0.144 9 0 "[ . 1]" 1
401 1 71 PHE HB3 1 72 GLN H 4.250 . 4.250 3.627 2.954 4.175 . 0 0 "[ . 1]" 1
402 1 72 GLN H 1 72 GLN HG2 3.870 . 3.870 2.902 2.298 3.967 0.097 4 0 "[ . 1]" 1
403 1 72 GLN H 1 72 GLN QG 3.300 . 3.300 2.809 2.278 3.666 0.366 4 0 "[ . 1]" 1
404 1 72 GLN H 1 72 GLN HG3 3.870 . 3.870 3.967 3.731 4.335 0.465 9 0 "[ . 1]" 1
405 1 72 GLN HA 1 72 GLN HG2 3.670 . 3.670 3.590 3.285 3.706 0.036 2 0 "[ . 1]" 1
406 1 72 GLN HA 1 72 GLN QG 3.060 . 3.060 3.115 2.548 3.287 0.227 10 0 "[ . 1]" 1
407 1 72 GLN HA 1 72 GLN HG3 3.670 . 3.670 3.475 2.655 4.084 0.414 10 0 "[ . 1]" 1
408 1 72 GLN HA 1 73 ALA H 3.190 . 3.190 2.360 2.227 2.462 . 0 0 "[ . 1]" 1
409 1 72 GLN HA 1 73 ALA MB 5.310 . 5.310 3.930 3.771 4.308 . 0 0 "[ . 1]" 1
410 1 72 GLN QB 1 87 THR H 4.600 . 4.600 4.192 2.174 4.889 0.289 3 0 "[ . 1]" 1
411 1 72 GLN QG 1 73 ALA H 3.040 . 3.040 2.708 2.332 3.026 . 0 0 "[ . 1]" 1
412 1 72 GLN QG 1 73 ALA MB 5.140 . 5.140 3.831 2.510 4.236 . 0 0 "[ . 1]" 1
413 1 72 GLN QG 1 87 THR H 4.060 . 4.060 2.973 2.621 3.253 . 0 0 "[ . 1]" 1
414 1 72 GLN QG 1 87 THR HB 5.260 . 5.260 2.709 1.880 5.105 . 0 0 "[ . 1]" 1
415 1 72 GLN HG2 1 73 ALA H 3.570 . 3.570 3.621 2.784 3.974 0.404 8 0 "[ . 1]" 1
416 1 72 GLN HG2 1 87 THR H 4.620 . 4.620 3.192 2.649 4.399 . 0 0 "[ . 1]" 1
417 1 72 GLN HG3 1 73 ALA H 3.570 . 3.570 2.879 2.503 3.822 0.252 10 0 "[ . 1]" 1
418 1 72 GLN HG3 1 87 THR H 4.620 . 4.620 4.149 2.846 4.581 . 0 0 "[ . 1]" 1
419 1 73 ALA H 1 73 ALA MB 3.260 . 3.260 2.678 2.307 3.056 . 0 0 "[ . 1]" 1
420 1 73 ALA HA 1 74 TRP H 3.320 . 3.320 2.338 2.121 2.841 . 0 0 "[ . 1]" 1
421 1 73 ALA HA 1 74 TRP QB 5.000 . 5.000 4.372 3.976 4.712 . 0 0 "[ . 1]" 1
422 1 73 ALA MB 1 74 TRP H 4.130 . 4.130 3.315 2.501 3.653 . 0 0 "[ . 1]" 1
423 1 73 ALA MB 1 75 GLY QA 5.420 . 5.420 4.419 3.385 5.504 0.084 9 0 "[ . 1]" 1
424 1 74 TRP H 1 74 TRP HB2 3.680 . 3.680 2.855 2.516 3.636 . 0 0 "[ . 1]" 1
425 1 74 TRP H 1 74 TRP QB 3.200 . 3.200 2.420 2.183 2.928 . 0 0 "[ . 1]" 1
426 1 74 TRP H 1 74 TRP HB3 3.680 . 3.680 2.723 2.257 3.681 0.001 5 0 "[ . 1]" 1
427 1 74 TRP H 1 75 GLY QA 4.370 . 4.370 4.221 3.972 4.411 0.041 1 0 "[ . 1]" 1
428 1 74 TRP HA 1 75 GLY H 3.550 . 3.550 3.355 3.201 3.467 . 0 0 "[ . 1]" 1
429 1 74 TRP QB 1 75 GLY H 3.830 . 3.830 3.220 2.896 3.772 . 0 0 "[ . 1]" 1
430 1 74 TRP HB2 1 75 GLY H 4.380 . 4.380 4.024 3.297 4.455 0.075 10 0 "[ . 1]" 1
431 1 74 TRP HB3 1 75 GLY H 4.380 . 4.380 3.521 2.974 4.420 0.040 4 0 "[ . 1]" 1
432 1 75 GLY QA 1 76 GLU H 3.000 . 3.000 2.238 2.129 2.639 . 0 0 "[ . 1]" 1
433 1 76 GLU H 1 76 GLU HB2 3.380 . 3.380 2.744 2.269 3.675 0.295 2 0 "[ . 1]" 1
434 1 76 GLU H 1 76 GLU QB 2.930 . 2.930 2.461 2.243 2.829 . 0 0 "[ . 1]" 1
435 1 76 GLU H 1 76 GLU HB3 3.380 . 3.380 3.256 2.477 3.746 0.366 9 0 "[ . 1]" 1
436 1 76 GLU H 1 76 GLU QG 3.760 . 3.760 2.870 1.837 4.024 0.264 5 0 "[ . 1]" 1
437 1 76 GLU HA 1 76 GLU QG 3.610 . 3.610 2.583 2.202 3.353 . 0 0 "[ . 1]" 1
438 1 76 GLU QG 1 77 CYS H 4.810 . 4.810 3.759 3.054 4.051 . 0 0 "[ . 1]" 1
439 1 77 CYS HA 1 78 ASP H 3.510 . 3.510 2.198 2.038 2.553 . 0 0 "[ . 1]" 1
440 1 77 CYS HA 1 84 LYS QG 4.290 . 4.290 2.518 2.051 3.291 . 0 0 "[ . 1]" 1
441 1 77 CYS HA 1 85 THR H 4.390 . 4.390 3.850 3.572 4.416 0.026 2 0 "[ . 1]" 1
442 1 77 CYS HB2 1 78 ASP H 4.380 . 4.380 4.052 2.265 4.490 0.110 3 0 "[ . 1]" 1
443 1 77 CYS HB3 1 78 ASP H 4.380 . 4.380 4.033 3.281 4.387 0.007 10 0 "[ . 1]" 1
444 1 78 ASP H 1 78 ASP HB2 3.730 . 3.730 2.611 2.360 2.935 . 0 0 "[ . 1]" 1
445 1 78 ASP H 1 83 LEU H 4.090 . 4.090 3.339 3.076 3.716 . 0 0 "[ . 1]" 1
446 1 78 ASP H 1 84 LYS HA 4.450 . 4.450 2.768 2.316 2.942 . 0 0 "[ . 1]" 1
447 1 78 ASP H 1 84 LYS QG 4.170 . 4.170 4.169 3.502 4.480 0.310 2 0 "[ . 1]" 1
448 1 78 ASP H 1 85 THR H 4.280 . 4.280 4.327 3.608 4.675 0.395 1 0 "[ . 1]" 1
449 1 78 ASP HA 1 80 ASN H 4.540 . 4.540 3.743 3.496 3.929 . 0 0 "[ . 1]" 1
450 1 78 ASP HB2 1 79 LEU H 4.070 . 4.070 4.215 4.062 4.478 0.408 1 0 "[ . 1]" 1
451 1 78 ASP HB2 1 80 ASN H 4.580 . 4.580 4.551 4.169 4.808 0.228 9 0 "[ . 1]" 1
452 1 78 ASP HB2 1 83 LEU H 4.340 . 4.340 3.600 2.749 4.645 0.305 1 0 "[ . 1]" 1
453 1 79 LEU H 1 79 LEU QB 3.010 . 3.010 2.516 2.368 2.606 . 0 0 "[ . 1]" 1
454 1 79 LEU H 1 79 LEU MD2 3.680 . 3.680 2.853 1.762 3.210 0.038 2 0 "[ . 1]" 1
455 1 79 LEU H 1 79 LEU HG 3.600 . 3.600 2.190 1.788 3.441 0.012 1 0 "[ . 1]" 1
456 1 79 LEU H 1 81 THR H 4.640 . 4.640 4.164 4.061 4.298 . 0 0 "[ . 1]" 1
457 1 79 LEU HA 1 80 ASN H 3.440 . 3.440 3.452 3.353 3.495 0.055 9 0 "[ . 1]" 1
458 1 79 LEU HA 1 82 ALA H 4.270 . 4.270 3.248 2.907 3.586 . 0 0 "[ . 1]" 1
459 1 79 LEU QB 1 80 ASN H 3.610 . 3.610 2.870 2.555 3.509 . 0 0 "[ . 1]" 1
460 1 79 LEU QB 1 81 THR H 4.640 . 4.640 4.748 4.614 4.958 0.318 2 0 "[ . 1]" 1
461 1 79 LEU HB2 1 81 THR H 5.360 . 5.360 5.133 4.962 5.497 0.137 2 0 "[ . 1]" 1
462 1 79 LEU HB3 1 81 THR H 5.360 . 5.360 5.608 5.448 5.730 0.370 6 0 "[ . 1]" 1
463 1 79 LEU HG 1 80 ASN H 4.040 . 4.040 3.672 2.369 4.090 0.050 1 0 "[ . 1]" 1
464 1 79 LEU HG 1 81 THR H 5.470 . 5.470 5.643 4.794 5.924 0.454 6 0 "[ . 1]" 1
465 1 80 ASN H 1 80 ASN HB2 3.420 . 3.420 2.506 2.305 2.642 . 0 0 "[ . 1]" 1
466 1 80 ASN H 1 80 ASN HB3 3.420 . 3.420 2.829 2.437 3.562 0.142 10 0 "[ . 1]" 1
467 1 80 ASN H 1 81 THR H 3.690 . 3.690 2.586 2.390 2.699 . 0 0 "[ . 1]" 1
468 1 80 ASN H 1 81 THR MG 3.920 . 3.920 4.086 3.824 4.203 0.283 9 0 "[ . 1]" 1
469 1 80 ASN H 1 82 ALA HA 5.760 . 5.760 5.347 4.836 5.651 . 0 0 "[ . 1]" 1
470 1 80 ASN QB 1 81 THR MG 4.760 . 4.760 2.685 2.501 3.172 . 0 0 "[ . 1]" 1
471 1 80 ASN HB2 1 81 THR H 4.130 . 4.130 3.614 2.642 4.179 0.049 2 0 "[ . 1]" 1
472 1 80 ASN HB2 1 81 THR MG 4.400 . 4.400 3.823 2.772 4.620 0.220 6 0 "[ . 1]" 1
473 1 80 ASN HB3 1 81 THR H 4.130 . 4.130 3.011 2.473 3.802 . 0 0 "[ . 1]" 1
474 1 80 ASN HB3 1 81 THR MG 4.400 . 4.400 2.883 2.524 3.399 . 0 0 "[ . 1]" 1
475 1 81 THR H 1 81 THR MG 3.570 . 3.570 2.425 1.891 2.608 . 0 0 "[ . 1]" 1
476 1 81 THR H 1 82 ALA H 3.810 . 3.810 2.145 2.032 2.393 . 0 0 "[ . 1]" 1
477 1 81 THR H 1 82 ALA HA 4.100 . 4.100 4.280 4.181 4.384 0.284 6 0 "[ . 1]" 1
478 1 81 THR H 1 82 ALA MB 4.980 . 4.980 4.534 4.463 4.617 . 0 0 "[ . 1]" 1
479 1 81 THR H 1 83 LEU H 4.060 . 4.060 3.542 3.406 3.788 . 0 0 "[ . 1]" 1
480 1 81 THR HA 1 81 THR MG . . 2.780 2.434 2.320 3.158 0.378 6 0 "[ . 1]" 1
481 1 81 THR HA 1 82 ALA MB 4.780 . 4.780 4.008 3.947 4.051 . 0 0 "[ . 1]" 1
482 1 81 THR HA 1 83 LEU H 4.900 . 4.900 4.611 4.322 4.843 . 0 0 "[ . 1]" 1
483 1 82 ALA H 1 82 ALA MB . . 3.420 2.876 2.712 3.036 . 0 0 "[ . 1]" 1
484 1 82 ALA H 1 83 LEU HG 3.990 . 3.990 4.194 3.992 4.305 0.315 2 0 "[ . 1]" 1
485 1 82 ALA HA 1 83 LEU H 3.500 . 3.500 2.841 2.699 3.061 . 0 0 "[ . 1]" 1
486 1 82 ALA MB 1 83 LEU H 4.600 . 4.600 3.653 3.523 3.767 . 0 0 "[ . 1]" 1
487 1 82 ALA MB 1 83 LEU HA 5.250 . 5.250 4.258 4.192 4.370 . 0 0 "[ . 1]" 1
488 1 82 ALA MB 1 109 CYS H 5.010 . 5.010 4.020 3.619 4.632 . 0 0 "[ . 1]" 1
489 1 82 ALA MB 1 109 CYS QB 4.550 . 4.550 3.519 2.862 3.959 . 0 0 "[ . 1]" 1
490 1 82 ALA MB 1 110 GLY H 6.000 . 6.000 4.389 2.427 6.055 0.055 4 0 "[ . 1]" 1
491 1 83 LEU H 1 83 LEU QB 3.310 . 3.310 2.718 2.545 2.785 . 0 0 "[ . 1]" 1
492 1 83 LEU H 1 83 LEU MD1 5.420 . 5.420 4.112 3.949 4.263 . 0 0 "[ . 1]" 1
493 1 83 LEU H 1 83 LEU MD2 5.680 . 5.680 3.637 3.521 3.736 . 0 0 "[ . 1]" 1
494 1 83 LEU H 1 83 LEU HG 3.650 . 3.650 2.918 2.683 3.129 . 0 0 "[ . 1]" 1
495 1 83 LEU HA 1 83 LEU MD2 4.670 . 4.670 2.154 2.059 2.316 . 0 0 "[ . 1]" 1
496 1 83 LEU HA 1 83 LEU HG 4.100 . 4.100 3.248 3.174 3.338 . 0 0 "[ . 1]" 1
497 1 83 LEU HA 1 84 LYS QG 5.170 . 5.170 5.305 3.324 5.580 0.410 4 0 "[ . 1]" 1
498 1 83 LEU HA 1 109 CYS H 4.350 . 4.350 1.910 1.736 2.244 0.064 1 0 "[ . 1]" 1
499 1 83 LEU MD1 1 108 PRO HA 4.190 . 4.190 3.992 3.586 4.245 0.055 9 0 "[ . 1]" 1
500 1 83 LEU MD1 1 108 PRO QB 4.540 . 4.540 4.541 4.149 4.764 0.224 10 0 "[ . 1]" 1
501 1 83 LEU MD1 1 109 CYS H 4.800 . 4.800 4.983 4.862 5.120 0.320 9 0 "[ . 1]" 1
502 1 83 LEU MD2 1 84 LYS H 4.250 . 4.250 3.629 3.404 3.889 . 0 0 "[ . 1]" 1
503 1 83 LEU MD2 1 108 PRO HA 4.470 . 4.470 1.826 1.722 1.919 0.078 8 0 "[ . 1]" 1
504 1 83 LEU MD2 1 109 CYS H 5.110 . 5.110 2.492 2.378 2.726 . 0 0 "[ . 1]" 1
505 1 83 LEU HG 1 109 CYS H 4.530 . 4.530 4.503 4.364 4.688 0.158 8 0 "[ . 1]" 1
506 1 84 LYS H 1 84 LYS QB 3.680 . 3.680 2.562 2.442 3.172 . 0 0 "[ . 1]" 1
507 1 84 LYS H 1 85 THR HA 5.240 . 5.240 4.823 4.722 4.921 . 0 0 "[ . 1]" 1
508 1 84 LYS H 1 109 CYS H 4.470 . 4.470 3.424 3.060 3.721 . 0 0 "[ . 1]" 1
509 1 84 LYS HA 1 84 LYS QG 3.560 . 3.560 2.422 2.222 3.261 . 0 0 "[ . 1]" 1
510 1 84 LYS HA 1 85 THR H 3.440 . 3.440 2.206 2.130 2.336 . 0 0 "[ . 1]" 1
511 1 84 LYS QB 1 85 THR H 3.700 . 3.700 3.550 2.999 3.700 . 0 0 "[ . 1]" 1
512 1 85 THR H 1 85 THR HB 4.010 . 4.010 3.033 2.611 3.723 . 0 0 "[ . 1]" 1
513 1 85 THR HB 1 86 ARG H 3.610 . 3.610 3.764 2.975 3.943 0.333 1 0 "[ . 1]" 1
514 1 85 THR MG 1 86 ARG H 3.470 . 3.470 2.941 2.248 3.630 0.160 10 0 "[ . 1]" 1
515 1 86 ARG H 1 105 ILE H 3.830 . 3.830 2.921 2.691 3.122 . 0 0 "[ . 1]" 1
516 1 86 ARG H 1 105 ILE HB 5.120 . 5.120 4.836 2.455 5.333 0.213 1 0 "[ . 1]" 1
517 1 86 ARG H 1 105 ILE MD 5.810 . 5.810 4.663 3.610 5.451 . 0 0 "[ . 1]" 1
518 1 87 THR H 1 87 THR HB 3.400 . 3.400 2.816 2.587 3.465 0.065 5 0 "[ . 1]" 1
519 1 87 THR HA 1 87 THR MG 3.630 . 3.630 2.399 2.165 3.224 . 0 0 "[ . 1]" 1
520 1 87 THR HB 1 88 GLY H 4.150 . 4.150 3.815 3.184 4.034 . 0 0 "[ . 1]" 1
521 1 87 THR MG 1 88 GLY H 4.630 . 4.630 2.559 2.257 3.615 . 0 0 "[ . 1]" 1
522 1 88 GLY H 1 103 VAL H 3.920 . 3.920 2.913 2.654 3.169 . 0 0 "[ . 1]" 1
523 1 88 GLY H 1 103 VAL MG2 4.490 . 4.490 2.715 2.314 3.023 . 0 0 "[ . 1]" 1
524 1 88 GLY H 1 104 THR HA 4.420 . 4.420 3.594 3.378 3.812 . 0 0 "[ . 1]" 1
525 1 88 GLY QA 1 103 VAL MG2 5.530 . 5.530 2.543 2.228 2.992 . 0 0 "[ . 1]" 1
526 1 89 SER H 1 89 SER QB 3.580 . 3.580 2.887 2.703 3.234 . 0 0 "[ . 1]" 1
527 1 89 SER HA 1 90 LEU H 3.560 . 3.560 2.219 2.135 2.330 . 0 0 "[ . 1]" 1
528 1 89 SER HA 1 90 LEU HB3 4.310 . 4.310 4.442 4.222 4.547 0.237 7 0 "[ . 1]" 1
529 1 89 SER HA 1 103 VAL MG1 4.910 . 4.910 4.790 4.496 5.008 0.098 10 0 "[ . 1]" 1
530 1 89 SER HA 1 103 VAL MG2 5.070 . 5.070 3.978 3.567 4.366 . 0 0 "[ . 1]" 1
531 1 89 SER QB 1 90 LEU H 4.050 . 4.050 2.918 2.749 3.545 . 0 0 "[ . 1]" 1
532 1 90 LEU H 1 90 LEU HB3 3.740 . 3.740 2.274 2.104 2.397 . 0 0 "[ . 1]" 1
533 1 90 LEU H 1 90 LEU MD2 5.540 . 5.540 4.004 3.931 4.178 . 0 0 "[ . 1]" 1
534 1 90 LEU H 1 90 LEU HG 4.150 . 4.150 4.348 3.919 4.467 0.317 8 0 "[ . 1]" 1
535 1 90 LEU H 1 101 LYS H 4.660 . 4.660 5.069 4.923 5.140 0.480 10 0 "[ . 1]" 1
536 1 90 LEU H 1 101 LYS HA 4.280 . 4.280 2.849 2.706 3.000 . 0 0 "[ . 1]" 1
537 1 90 LEU HA 1 90 LEU MD1 4.450 . 4.450 3.244 2.895 3.781 . 0 0 "[ . 1]" 1
538 1 90 LEU HA 1 92 ARG H 4.840 . 4.840 3.851 3.579 4.201 . 0 0 "[ . 1]" 1
539 1 90 LEU HB3 1 91 LYS H 4.720 . 4.720 4.294 4.224 4.409 . 0 0 "[ . 1]" 1
540 1 90 LEU HB3 1 100 GLN QG 4.860 . 4.860 5.082 4.797 5.251 0.391 7 0 "[ . 1]" 1
541 1 90 LEU HB3 1 101 LYS H 4.670 . 4.670 4.682 4.533 4.888 0.218 6 0 "[ . 1]" 1
542 1 90 LEU HB3 1 101 LYS HA 3.460 . 3.460 2.212 1.812 3.665 0.205 6 0 "[ . 1]" 1
543 1 90 LEU QD 1 91 LYS HA 4.860 . 4.860 3.305 3.103 3.480 . 0 0 "[ . 1]" 1
544 1 90 LEU QD 1 92 ARG H 4.500 . 4.500 2.215 1.860 2.665 . 0 0 "[ . 1]" 1
545 1 90 LEU QD 1 93 ALA MB 4.310 . 4.310 1.966 1.819 2.280 . 0 0 "[ . 1]" 1
546 1 90 LEU MD1 1 101 LYS HA 5.070 . 5.070 3.178 1.742 3.928 0.058 6 0 "[ . 1]" 1
547 1 90 LEU MD2 1 99 CYS H 5.170 . 5.170 4.821 4.597 5.281 0.111 2 0 "[ . 1]" 1
548 1 90 LEU MD2 1 99 CYS HB2 4.800 . 4.800 2.915 2.256 3.945 . 0 0 "[ . 1]" 1
549 1 90 LEU MD2 1 99 CYS QB 4.090 . 4.090 2.648 2.013 3.795 . 0 0 "[ . 1]" 1
550 1 90 LEU MD2 1 99 CYS HB3 4.800 . 4.800 3.153 2.230 4.933 0.133 1 0 "[ . 1]" 1
551 1 90 LEU MD2 1 101 LYS HA 5.540 . 5.540 4.396 3.520 4.943 . 0 0 "[ . 1]" 1
552 1 90 LEU HG 1 93 ALA MB 4.290 . 4.290 3.287 2.846 4.226 . 0 0 "[ . 1]" 1
553 1 90 LEU HG 1 99 CYS H 4.350 . 4.350 4.456 4.236 4.756 0.406 9 0 "[ . 1]" 1
554 1 90 LEU HG 1 99 CYS HA 5.500 . 5.500 4.842 4.417 5.571 0.071 9 0 "[ . 1]" 1
555 1 90 LEU HG 1 99 CYS HB2 4.320 . 4.320 2.371 2.084 2.725 . 0 0 "[ . 1]" 1
556 1 90 LEU HG 1 99 CYS HB3 4.320 . 4.320 2.915 2.261 3.650 . 0 0 "[ . 1]" 1
557 1 90 LEU HG 1 101 LYS HA 4.190 . 4.190 3.878 3.285 4.329 0.139 9 0 "[ . 1]" 1
558 1 91 LYS H 1 91 LYS QG 4.420 . 4.420 2.548 2.094 3.035 . 0 0 "[ . 1]" 1
559 1 91 LYS HA 1 91 LYS QG 3.740 . 3.740 2.891 2.322 3.365 . 0 0 "[ . 1]" 1
560 1 91 LYS QE 1 91 LYS QG 3.320 . 3.320 2.250 2.139 2.380 . 0 0 "[ . 1]" 1
561 1 91 LYS QG 1 92 ARG H 5.020 . 5.020 3.766 2.461 4.494 . 0 0 "[ . 1]" 1
562 1 92 ARG H 1 92 ARG QB 3.530 . 3.530 2.876 2.666 3.299 . 0 0 "[ . 1]" 1
563 1 92 ARG H 1 92 ARG QG 4.670 . 4.670 3.768 2.373 4.273 . 0 0 "[ . 1]" 1
564 1 92 ARG H 1 93 ALA MB 6.000 . 6.000 4.525 4.148 4.802 . 0 0 "[ . 1]" 1
565 1 92 ARG HA 1 92 ARG QD 3.890 . 3.890 3.607 2.052 4.157 0.267 2 0 "[ . 1]" 1
566 1 92 ARG HA 1 93 ALA H 3.100 . 3.100 2.189 2.112 2.316 . 0 0 "[ . 1]" 1
567 1 92 ARG HA 1 93 ALA MB 5.790 . 5.790 3.916 3.836 4.003 . 0 0 "[ . 1]" 1
568 1 92 ARG QB 1 92 ARG QD 2.930 . 2.930 2.309 2.110 2.799 . 0 0 "[ . 1]" 1
569 1 92 ARG QB 1 93 ALA H 3.730 . 3.730 3.409 2.744 3.742 0.012 4 0 "[ . 1]" 1
570 1 92 ARG QD 1 93 ALA H 4.420 . 4.420 3.913 2.320 4.494 0.074 3 0 "[ . 1]" 1
571 1 92 ARG QD 1 94 LEU QD 3.830 . 3.830 3.614 2.559 4.069 0.239 9 0 "[ . 1]" 1
572 1 92 ARG QG 1 93 ALA H 4.170 . 4.170 3.069 2.366 4.339 0.169 5 0 "[ . 1]" 1
573 1 93 ALA H 1 93 ALA MB 3.500 . 3.500 2.484 2.362 2.578 . 0 0 "[ . 1]" 1
574 1 93 ALA MB 1 94 LEU H 3.870 . 3.870 2.775 2.583 2.979 . 0 0 "[ . 1]" 1
575 1 93 ALA MB 1 99 CYS QB 5.250 . 5.250 2.940 2.097 4.398 . 0 0 "[ . 1]" 1
576 1 94 LEU HA 1 94 LEU MD1 4.160 . 4.160 2.672 1.938 3.819 . 0 0 "[ . 1]" 1
577 1 94 LEU HA 1 94 LEU HG 4.050 . 4.050 2.670 2.466 3.656 . 0 0 "[ . 1]" 1
578 1 94 LEU MD1 1 95 HIS H 5.170 . 5.170 4.161 3.102 4.601 . 0 0 "[ . 1]" 1
579 1 94 LEU MD2 1 95 HIS H 4.930 . 4.930 3.918 2.803 4.521 . 0 0 "[ . 1]" 1
580 1 94 LEU HG 1 95 HIS H 3.930 . 3.930 3.666 2.028 4.354 0.424 7 0 "[ . 1]" 1
581 1 95 HIS H 1 97 ALA H 4.610 . 4.610 4.305 3.668 4.582 . 0 0 "[ . 1]" 1
582 1 95 HIS QB 1 95 HIS HD2 3.180 . 3.180 2.883 2.662 3.030 . 0 0 "[ . 1]" 1
583 1 95 HIS QB 1 97 ALA H 5.200 . 5.200 4.703 4.503 4.875 . 0 0 "[ . 1]" 1
584 1 96 ASN HA 1 96 ASN QD 4.630 . 4.630 3.916 3.592 4.288 . 0 0 "[ . 1]" 1
585 1 96 ASN HA 1 97 ALA H 2.660 . 2.660 2.814 2.654 3.002 0.342 1 0 "[ . 1]" 1
586 1 96 ASN QB 1 97 ALA H 4.370 . 4.370 3.851 3.598 3.987 . 0 0 "[ . 1]" 1
587 1 97 ALA H 1 97 ALA MB 3.200 . 3.200 2.787 2.670 2.916 . 0 0 "[ . 1]" 1
588 1 97 ALA H 1 98 GLU QG 5.090 . 5.090 4.213 3.247 5.158 0.068 8 0 "[ . 1]" 1
589 1 97 ALA HA 1 98 GLU H 3.140 . 3.140 2.136 2.119 2.163 . 0 0 "[ . 1]" 1
590 1 97 ALA MB 1 98 GLU H 3.330 . 3.330 3.283 2.977 3.496 0.166 1 0 "[ . 1]" 1
591 1 97 ALA MB 1 99 CYS H 6.000 . 6.000 4.795 4.405 5.699 . 0 0 "[ . 1]" 1
592 1 98 GLU H 1 98 GLU QB 3.640 . 3.640 2.502 2.299 2.853 . 0 0 "[ . 1]" 1
593 1 98 GLU H 1 98 GLU QG 3.940 . 3.940 2.620 1.888 3.357 . 0 0 "[ . 1]" 1
594 1 98 GLU HA 1 98 GLU QG 3.080 . 3.080 2.643 2.430 3.304 0.224 8 0 "[ . 1]" 1
595 1 98 GLU HA 1 99 CYS H 3.150 . 3.150 2.151 2.060 2.279 . 0 0 "[ . 1]" 1
596 1 98 GLU QB 1 99 CYS H 4.050 . 4.050 3.245 2.600 3.464 . 0 0 "[ . 1]" 1
597 1 98 GLU QG 1 99 CYS H 4.830 . 4.830 4.322 4.006 4.724 . 0 0 "[ . 1]" 1
598 1 99 CYS H 1 99 CYS HB2 4.030 . 4.030 2.664 2.449 2.917 . 0 0 "[ . 1]" 1
599 1 99 CYS H 1 99 CYS QB 3.520 . 3.520 2.612 2.413 2.845 . 0 0 "[ . 1]" 1
600 1 99 CYS H 1 99 CYS HB3 4.030 . 4.030 3.781 3.626 3.955 . 0 0 "[ . 1]" 1
601 1 99 CYS HA 1 100 GLN H 3.530 . 3.530 2.159 2.081 2.336 . 0 0 "[ . 1]" 1
602 1 99 CYS HA 1 100 GLN QG 5.160 . 5.160 4.238 3.404 4.805 . 0 0 "[ . 1]" 1
603 1 99 CYS QB 1 100 GLN H 4.380 . 4.380 2.743 2.292 3.063 . 0 0 "[ . 1]" 1
604 1 100 GLN H 1 100 GLN HB2 3.970 . 3.970 3.504 2.495 3.639 . 0 0 "[ . 1]" 1
605 1 100 GLN H 1 100 GLN QB 3.460 . 3.460 2.590 2.455 2.767 . 0 0 "[ . 1]" 1
606 1 100 GLN H 1 100 GLN HB3 3.970 . 3.970 2.770 2.529 3.637 . 0 0 "[ . 1]" 1
607 1 100 GLN H 1 100 GLN QG 3.620 . 3.620 2.501 1.812 2.933 . 0 0 "[ . 1]" 1
608 1 100 GLN HA 1 100 GLN QG 3.570 . 3.570 3.309 2.444 3.494 . 0 0 "[ . 1]" 1
609 1 100 GLN HA 1 101 LYS H 3.530 . 3.530 2.261 2.086 2.355 . 0 0 "[ . 1]" 1
610 1 100 GLN HA 1 101 LYS HA 4.400 . 4.400 4.253 4.211 4.311 . 0 0 "[ . 1]" 1
611 1 100 GLN HA 1 102 THR H 4.230 . 4.230 4.187 3.742 4.281 0.051 4 0 "[ . 1]" 1
612 1 100 GLN QB 1 101 LYS H 3.280 . 3.280 2.742 2.490 3.171 . 0 0 "[ . 1]" 1
613 1 100 GLN QB 1 102 THR H 3.740 . 3.740 3.006 2.651 3.508 . 0 0 "[ . 1]" 1
614 1 100 GLN QB 1 103 VAL MG1 4.240 . 4.240 3.226 2.282 3.948 . 0 0 "[ . 1]" 1
615 1 100 GLN QG 1 101 LYS H 4.700 . 4.700 3.888 3.551 4.166 . 0 0 "[ . 1]" 1
616 1 100 GLN QG 1 102 THR H 4.640 . 4.640 3.751 2.867 4.789 0.149 6 0 "[ . 1]" 1
617 1 100 GLN QG 1 103 VAL MG1 4.510 . 4.510 2.342 1.848 3.452 . 0 0 "[ . 1]" 1
618 1 101 LYS H 1 101 LYS QB 3.670 . 3.670 2.506 2.167 2.775 . 0 0 "[ . 1]" 1
619 1 101 LYS H 1 101 LYS QG 4.420 . 4.420 2.806 1.792 3.999 0.008 10 0 "[ . 1]" 1
620 1 101 LYS HA 1 102 THR MG 5.270 . 5.270 4.763 4.594 4.964 . 0 0 "[ . 1]" 1
621 1 101 LYS QB 1 102 THR H 3.840 . 3.840 3.172 2.501 3.664 . 0 0 "[ . 1]" 1
622 1 101 LYS QB 1 102 THR HB 4.370 . 4.370 4.050 3.906 4.224 . 0 0 "[ . 1]" 1
623 1 101 LYS QB 1 102 THR MG 4.040 . 4.040 3.385 2.711 4.050 0.010 7 0 "[ . 1]" 1
624 1 101 LYS QG 1 102 THR HB 4.400 . 4.400 3.247 2.881 3.928 . 0 0 "[ . 1]" 1
625 1 101 LYS QG 1 102 THR MG 2.900 . 2.900 2.452 2.037 3.030 0.130 5 0 "[ . 1]" 1
626 1 102 THR H 1 102 THR HB 3.720 . 3.720 3.438 3.321 3.490 . 0 0 "[ . 1]" 1
627 1 102 THR H 1 102 THR MG . . 3.950 2.483 2.371 2.580 . 0 0 "[ . 1]" 1
628 1 102 THR H 1 103 VAL MG1 4.450 . 4.450 3.900 3.700 4.097 . 0 0 "[ . 1]" 1
629 1 102 THR HA 1 103 VAL H 3.170 . 3.170 2.095 2.043 2.207 . 0 0 "[ . 1]" 1
630 1 102 THR HA 1 103 VAL MG1 5.220 . 5.220 3.670 3.584 3.817 . 0 0 "[ . 1]" 1
631 1 102 THR HA 1 103 VAL MG2 4.500 . 4.500 3.502 3.395 3.603 . 0 0 "[ . 1]" 1
632 1 102 THR HB 1 103 VAL H 3.670 . 3.670 3.787 3.696 3.887 0.217 4 0 "[ . 1]" 1
633 1 102 THR MG 1 103 VAL H 4.420 . 4.420 3.702 3.565 3.880 . 0 0 "[ . 1]" 1
634 1 102 THR MG 1 103 VAL HA 4.300 . 4.300 3.859 3.716 4.056 . 0 0 "[ . 1]" 1
635 1 103 VAL H 1 103 VAL MG2 4.130 . 4.130 2.259 2.081 2.488 . 0 0 "[ . 1]" 1
636 1 103 VAL HA 1 103 VAL MG1 3.740 . 3.740 2.342 2.306 2.374 . 0 0 "[ . 1]" 1
637 1 103 VAL HA 1 104 THR H 3.200 . 3.200 2.118 2.056 2.186 . 0 0 "[ . 1]" 1
638 1 103 VAL HA 1 104 THR HB 4.180 . 4.180 4.379 4.345 4.414 0.234 10 0 "[ . 1]" 1
639 1 103 VAL HB 1 104 THR H 3.600 . 3.600 2.834 2.684 2.969 . 0 0 "[ . 1]" 1
640 1 103 VAL MG1 1 104 THR H 4.970 . 4.970 3.677 3.583 3.792 . 0 0 "[ . 1]" 1
641 1 103 VAL MG1 1 105 ILE MG 6.000 . 6.000 4.990 4.239 6.027 0.027 4 0 "[ . 1]" 1
642 1 103 VAL MG2 1 104 THR H 4.960 . 4.960 3.810 3.697 3.916 . 0 0 "[ . 1]" 1
643 1 103 VAL MG2 1 105 ILE MG 6.000 . 6.000 3.859 3.432 4.716 . 0 0 "[ . 1]" 1
644 1 104 THR H 1 104 THR HB 3.160 . 3.160 2.767 2.593 3.128 . 0 0 "[ . 1]" 1
645 1 104 THR HA 1 104 THR MG 3.700 . 3.700 2.646 2.370 3.218 . 0 0 "[ . 1]" 1
646 1 104 THR HA 1 105 ILE H 3.540 . 3.540 2.206 2.158 2.253 . 0 0 "[ . 1]" 1
647 1 104 THR HA 1 105 ILE MG 4.770 . 4.770 3.854 3.506 5.221 0.451 4 0 "[ . 1]" 1
648 1 104 THR HB 1 105 ILE H 4.070 . 4.070 4.148 4.096 4.216 0.146 9 0 "[ . 1]" 1
649 1 104 THR MG 1 105 ILE H . . 3.720 3.004 2.500 3.877 0.157 1 0 "[ . 1]" 1
650 1 105 ILE H 1 105 ILE HB 4.190 . 4.190 3.490 2.825 3.874 . 0 0 "[ . 1]" 1
651 1 105 ILE H 1 105 ILE MD 5.400 . 5.400 3.976 1.933 4.825 . 0 0 "[ . 1]" 1
652 1 105 ILE HA 1 106 SER H 3.260 . 3.260 2.180 2.116 2.220 . 0 0 "[ . 1]" 1
653 1 105 ILE HB 1 105 ILE MD 3.740 . 3.740 2.603 2.401 3.242 . 0 0 "[ . 1]" 1
654 1 105 ILE HB 1 106 SER H 3.780 . 3.780 3.555 2.813 3.973 0.193 7 0 "[ . 1]" 1
655 1 105 ILE MD 1 105 ILE MG 2.930 . 2.930 1.936 1.914 1.964 . 0 0 "[ . 1]" 1
656 1 105 ILE MD 1 106 SER H 6.000 . 6.000 4.459 3.844 5.048 . 0 0 "[ . 1]" 1
657 1 105 ILE QG 1 106 SER H 4.690 . 4.690 3.223 2.161 4.268 . 0 0 "[ . 1]" 1
658 1 105 ILE MG 1 106 SER H 4.600 . 4.600 3.665 2.380 3.960 . 0 0 "[ . 1]" 1
659 1 108 PRO HA 1 109 CYS H 3.300 . 3.300 2.153 2.092 2.185 . 0 0 "[ . 1]" 1
660 1 109 CYS H 1 109 CYS HB2 4.040 . 4.040 2.553 2.383 2.825 . 0 0 "[ . 1]" 1
661 1 109 CYS H 1 109 CYS HB3 4.040 . 4.040 3.107 2.526 3.650 . 0 0 "[ . 1]" 1
662 1 110 GLY QA 1 111 LYS H 2.830 . 2.830 2.301 2.092 2.704 . 0 0 "[ . 1]" 1
663 1 110 GLY QA 1 111 LYS HA 4.450 . 4.450 3.998 3.903 4.130 . 0 0 "[ . 1]" 1
664 1 111 LYS H 1 111 LYS QB 3.220 . 3.220 2.750 2.293 3.362 0.142 6 0 "[ . 1]" 1
665 1 111 LYS HA 1 111 LYS QG 3.470 . 3.470 2.558 2.332 3.353 . 0 0 "[ . 1]" 1
666 1 111 LYS HA 1 112 LEU H 2.400 . 2.400 2.323 2.093 2.559 0.159 4 0 "[ . 1]" 1
667 1 111 LYS QG 1 112 LEU H 4.040 . 4.040 3.520 1.711 4.331 0.291 6 0 "[ . 1]" 1
668 1 112 LEU H 1 112 LEU QB 3.100 . 3.100 2.699 2.260 3.293 0.193 8 0 "[ . 1]" 1
669 1 112 LEU H 1 112 LEU MD1 4.090 . 4.090 3.441 1.807 4.165 0.075 9 0 "[ . 1]" 1
670 1 112 LEU HA 1 113 THR H 2.700 . 2.700 2.267 2.117 2.449 . 0 0 "[ . 1]" 1
671 1 112 LEU QB 1 113 THR H 3.990 . 3.990 3.287 2.294 4.015 0.025 3 0 "[ . 1]" 1
672 1 112 LEU MD2 1 113 THR H 5.210 . 5.210 4.410 3.615 5.328 0.118 3 0 "[ . 1]" 1
673 1 113 THR H 1 113 THR HB 3.500 . 3.500 3.558 3.530 3.591 0.091 2 0 "[ . 1]" 1
674 1 113 THR H 1 113 THR MG 3.710 . 3.710 2.680 2.440 2.932 . 0 0 "[ . 1]" 1
675 1 113 THR HA 1 114 LYS H 2.570 . 2.570 2.228 2.052 2.614 0.044 7 0 "[ . 1]" 1
676 1 113 THR HA 1 115 PRO QD 4.280 . 4.280 3.932 3.239 4.422 0.142 1 0 "[ . 1]" 1
677 1 113 THR HB 1 114 LYS H 3.370 . 3.370 3.064 2.015 3.522 0.152 10 0 "[ . 1]" 1
678 1 113 THR MG 1 114 LYS H 4.960 . 4.960 3.665 3.368 3.883 . 0 0 "[ . 1]" 1
679 1 114 LYS H 1 115 PRO QD 4.410 . 4.410 2.876 1.865 3.602 . 0 0 "[ . 1]" 1
680 1 115 PRO HB2 1 116 LYS H 3.580 . 3.580 2.700 1.705 3.720 0.140 7 0 "[ . 1]" 1
681 1 115 PRO HB3 1 117 PRO HD2 3.670 . 3.670 3.555 2.725 3.944 0.274 4 0 "[ . 1]" 1
682 1 115 PRO HB3 1 117 PRO QD 2.950 . 2.950 2.740 2.582 3.278 0.328 8 0 "[ . 1]" 1
683 1 115 PRO HB3 1 117 PRO HD3 3.670 . 3.670 3.125 2.619 3.838 0.168 3 0 "[ . 1]" 1
684 1 116 LYS H 1 117 PRO HD2 4.310 . 4.310 2.891 1.888 3.690 . 0 0 "[ . 1]" 1
685 1 116 LYS H 1 117 PRO HD3 4.310 . 4.310 2.574 1.863 3.247 . 0 0 "[ . 1]" 1
686 1 117 PRO HA 1 118 GLN H 2.560 . 2.560 2.242 2.147 2.570 0.010 4 0 "[ . 1]" 1
687 1 118 GLN H 1 118 GLN QB 3.650 . 3.650 2.555 2.188 3.340 . 0 0 "[ . 1]" 1
688 1 118 GLN H 1 118 GLN QG 4.090 . 4.090 3.157 2.002 4.185 0.095 4 0 "[ . 1]" 1
689 1 118 GLN HA 1 118 GLN QG 3.550 . 3.550 2.656 2.290 3.357 . 0 0 "[ . 1]" 1
690 1 119 ALA H 1 119 ALA HA 2.670 . 2.670 2.677 2.256 2.903 0.233 3 0 "[ . 1]" 1
691 1 119 ALA H 1 119 ALA MB 3.270 . 3.270 2.591 2.220 2.926 . 0 0 "[ . 1]" 1
692 1 119 ALA HA 1 120 GLU H 2.540 . 2.540 2.305 2.136 2.612 0.072 10 0 "[ . 1]" 1
693 1 119 ALA MB 1 120 GLU H 4.010 . 4.010 2.971 1.874 3.691 . 0 0 "[ . 1]" 1
694 1 120 GLU H 1 120 GLU QB 3.070 . 3.070 2.598 2.274 3.180 0.110 9 0 "[ . 1]" 1
695 1 120 GLU H 1 120 GLU QG 3.840 . 3.840 2.516 1.954 3.965 0.125 6 0 "[ . 1]" 1
696 1 120 GLU HA 1 121 SER H 3.540 . 3.540 2.539 2.105 3.528 . 0 0 "[ . 1]" 1
697 1 121 SER HA 1 122 LYS H 3.350 . 3.350 2.808 2.138 3.446 0.096 7 0 "[ . 1]" 1
698 1 121 SER QB 1 122 LYS H 4.080 . 4.080 3.158 1.854 3.981 . 0 0 "[ . 1]" 1
699 1 126 LYS H 1 126 LYS HA 2.790 . 2.790 2.695 2.218 2.923 0.133 3 0 "[ . 1]" 1
700 1 126 LYS H 1 126 LYS QG 3.700 . 3.700 2.791 2.034 4.057 0.357 7 0 "[ . 1]" 1
701 1 126 LYS QB 1 127 GLU H 2.860 . 2.860 2.201 1.794 2.980 0.120 2 0 "[ . 1]" 1
702 1 127 GLU HA 1 128 GLY H 3.030 . 3.030 2.401 2.111 3.100 0.070 4 0 "[ . 1]" 1
703 1 130 LYS H 1 130 LYS HA 2.450 . 2.450 2.763 2.263 2.881 0.431 6 0 "[ . 1]" 1
704 1 130 LYS H 1 130 LYS QB 3.170 . 3.170 2.557 2.214 3.331 0.161 10 0 "[ . 1]" 1
705 1 130 LYS HA 1 131 GLN H 2.840 . 2.840 2.332 2.120 2.764 . 0 0 "[ . 1]" 1
706 1 130 LYS QB 1 131 GLN H 4.030 . 4.030 3.591 1.854 3.997 . 0 0 "[ . 1]" 1
707 1 131 GLN H 1 131 GLN QB 3.530 . 3.530 2.794 2.393 3.364 . 0 0 "[ . 1]" 1
708 1 131 GLN H 1 131 GLN QG 4.160 . 4.160 2.942 1.904 4.198 0.038 9 0 "[ . 1]" 1
709 1 132 GLU H 1 132 GLU QB 3.020 . 3.020 2.750 2.313 3.197 0.177 7 0 "[ . 1]" 1
710 1 132 GLU H 1 132 GLU QG 3.570 . 3.570 2.458 1.892 3.325 . 0 0 "[ . 1]" 1
711 1 132 GLU QB 1 133 LYS H 3.820 . 3.820 3.139 2.034 4.001 0.181 1 0 "[ . 1]" 1
712 1 133 LYS H 1 133 LYS HA 2.660 . 2.660 2.611 2.236 2.883 0.223 3 0 "[ . 1]" 1
713 1 133 LYS H 1 133 LYS QB 3.110 . 3.110 2.840 2.210 3.372 0.262 9 0 "[ . 1]" 1
714 1 133 LYS HA 1 133 LYS QG 3.670 . 3.670 2.626 2.356 3.337 . 0 0 "[ . 1]" 1
715 1 133 LYS HA 1 134 MET H 3.020 . 3.020 2.414 2.140 3.416 0.396 1 0 "[ . 1]" 1
716 1 134 MET H 1 134 MET QG 4.050 . 4.050 2.827 2.304 3.985 . 0 0 "[ . 1]" 1
717 1 134 MET HA 1 135 LEU H 2.920 . 2.920 2.323 2.102 2.985 0.065 9 0 "[ . 1]" 1
718 1 134 MET QB 1 135 LEU H 4.100 . 4.100 3.322 2.501 3.711 . 0 0 "[ . 1]" 1
719 1 135 LEU H 1 135 LEU QB 3.040 . 3.040 2.807 2.279 3.313 0.273 4 0 "[ . 1]" 1
720 1 135 LEU HA 1 136 ASP H 2.910 . 2.910 2.343 2.125 2.931 0.021 10 0 "[ . 1]" 1
721 1 135 LEU QB 1 136 ASP H 3.720 . 3.720 3.108 1.982 3.965 0.245 1 0 "[ . 1]" 1
stop_
save_