NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618501 |
5mpg   |
34079 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5mpg
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 2089
_Distance_constraint_stats_list.Viol_count 3136
_Distance_constraint_stats_list.Viol_total 3154.870
_Distance_constraint_stats_list.Viol_max 0.580
_Distance_constraint_stats_list.Viol_rms 0.0193
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0503
_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 8 LYS 1.644 0.252 6 0 "[ . 1 . 2]"
1 9 GLU 1.079 0.136 19 0 "[ . 1 . 2]"
1 10 PRO 1.727 0.181 18 0 "[ . 1 . 2]"
1 11 GLU 3.115 0.223 9 0 "[ . 1 . 2]"
1 12 GLN 5.254 0.580 10 4 "[ .* +* . - 2]"
1 13 LEU 4.081 0.181 18 0 "[ . 1 . 2]"
1 14 ARG 4.848 0.209 1 0 "[ . 1 . 2]"
1 15 LYS 5.018 0.321 16 0 "[ . 1 . 2]"
1 16 LEU 7.790 0.204 11 0 "[ . 1 . 2]"
1 17 PHE 2.063 0.109 17 0 "[ . 1 . 2]"
1 18 ILE 2.776 0.089 2 0 "[ . 1 . 2]"
1 19 GLY 3.936 0.150 18 0 "[ . 1 . 2]"
1 20 GLY 0.210 0.078 10 0 "[ . 1 . 2]"
1 21 LEU 3.233 0.104 1 0 "[ . 1 . 2]"
1 22 SER 0.523 0.112 7 0 "[ . 1 . 2]"
1 23 PHE 0.476 0.070 15 0 "[ . 1 . 2]"
1 24 GLU 1.249 0.097 12 0 "[ . 1 . 2]"
1 25 THR 5.756 0.177 18 0 "[ . 1 . 2]"
1 26 THR 3.447 0.179 2 0 "[ . 1 . 2]"
1 27 ASP 2.266 0.194 15 0 "[ . 1 . 2]"
1 28 GLU 8.177 0.495 5 0 "[ . 1 . 2]"
1 29 SER 2.596 0.179 2 0 "[ . 1 . 2]"
1 30 LEU 9.850 0.495 5 0 "[ . 1 . 2]"
1 31 ARG 4.457 0.177 11 0 "[ . 1 . 2]"
1 32 SER 1.279 0.105 8 0 "[ . 1 . 2]"
1 33 HIS 2.299 0.141 18 0 "[ . 1 . 2]"
1 34 PHE 1.597 0.105 12 0 "[ . 1 . 2]"
1 35 GLU 4.187 0.177 11 0 "[ . 1 . 2]"
1 36 GLN 3.990 0.107 15 0 "[ . 1 . 2]"
1 37 TRP 0.598 0.102 10 0 "[ . 1 . 2]"
1 38 GLY 0.458 0.080 13 0 "[ . 1 . 2]"
1 39 THR 2.885 0.108 11 0 "[ . 1 . 2]"
1 40 LEU 17.850 0.339 15 0 "[ . 1 . 2]"
1 41 THR 1.608 0.080 4 0 "[ . 1 . 2]"
1 42 ASP 1.406 0.155 15 0 "[ . 1 . 2]"
1 43 CYS 0.991 0.140 15 0 "[ . 1 . 2]"
1 44 VAL 1.518 0.093 2 0 "[ . 1 . 2]"
1 45 VAL 3.269 0.167 17 0 "[ . 1 . 2]"
1 46 MET 8.542 0.189 7 0 "[ . 1 . 2]"
1 47 ARG 4.329 0.206 13 0 "[ . 1 . 2]"
1 48 ASP 5.113 0.171 18 0 "[ . 1 . 2]"
1 49 PRO 2.357 0.127 12 0 "[ . 1 . 2]"
1 50 ASN 4.227 0.171 18 0 "[ . 1 . 2]"
1 51 THR 2.205 0.112 5 0 "[ . 1 . 2]"
1 52 LYS 1.899 0.246 3 0 "[ . 1 . 2]"
1 53 ARG 1.423 0.117 2 0 "[ . 1 . 2]"
1 54 SER 0.593 0.075 6 0 "[ . 1 . 2]"
1 55 ARG 3.487 0.206 13 0 "[ . 1 . 2]"
1 56 GLY 2.390 0.124 3 0 "[ . 1 . 2]"
1 57 PHE 8.612 0.177 18 0 "[ . 1 . 2]"
1 58 GLY 0.115 0.040 11 0 "[ . 1 . 2]"
1 59 PHE 1.930 0.092 16 0 "[ . 1 . 2]"
1 60 VAL 18.632 0.339 15 0 "[ . 1 . 2]"
1 61 THR 1.985 0.155 15 0 "[ . 1 . 2]"
1 62 TYR 5.408 0.116 3 0 "[ . 1 . 2]"
1 63 ALA 3.774 0.108 11 0 "[ . 1 . 2]"
1 64 THR 3.170 0.102 6 0 "[ . 1 . 2]"
1 65 VAL 1.491 0.099 8 0 "[ . 1 . 2]"
1 66 GLU 0.392 0.102 6 0 "[ . 1 . 2]"
1 67 GLU 2.180 0.080 13 0 "[ . 1 . 2]"
1 68 VAL 3.162 0.108 2 0 "[ . 1 . 2]"
1 69 ASP 1.440 0.174 7 0 "[ . 1 . 2]"
1 70 ALA 2.407 0.100 15 0 "[ . 1 . 2]"
1 71 ALA 1.052 0.053 20 0 "[ . 1 . 2]"
1 72 MET 1.151 0.093 13 0 "[ . 1 . 2]"
1 73 ASN 2.422 0.174 7 0 "[ . 1 . 2]"
1 74 ALA 0.727 0.100 15 0 "[ . 1 . 2]"
1 75 ARG 0.823 0.123 19 0 "[ . 1 . 2]"
1 76 PRO 0.730 0.123 19 0 "[ . 1 . 2]"
1 77 HIS 4.600 0.228 11 0 "[ . 1 . 2]"
1 78 LYS 2.166 0.169 11 0 "[ . 1 . 2]"
1 79 VAL 8.169 0.228 11 0 "[ . 1 . 2]"
1 80 ASP 0.331 0.073 13 0 "[ . 1 . 2]"
1 81 GLY 1.193 0.167 11 0 "[ . 1 . 2]"
1 82 ARG 2.361 0.130 16 0 "[ . 1 . 2]"
1 83 VAL 0.822 0.169 11 0 "[ . 1 . 2]"
1 84 VAL 1.366 0.087 13 0 "[ . 1 . 2]"
1 85 GLU 1.555 0.133 11 0 "[ . 1 . 2]"
1 86 PRO 1.267 0.150 18 0 "[ . 1 . 2]"
1 87 LYS 2.591 0.457 20 0 "[ . 1 . 2]"
1 88 ARG 7.135 0.309 3 0 "[ . 1 . 2]"
1 89 ALA 2.689 0.253 13 0 "[ . 1 . 2]"
1 90 VAL 2.077 0.177 13 0 "[ . 1 . 2]"
1 91 SER 0.755 0.125 17 0 "[ . 1 . 2]"
1 92 ARG 1.609 0.098 19 0 "[ . 1 . 2]"
1 93 GLU 0.158 0.041 11 0 "[ . 1 . 2]"
1 94 ASP 0.305 0.070 17 0 "[ . 1 . 2]"
1 95 SER 0.513 0.070 17 0 "[ . 1 . 2]"
1 96 GLN 0.372 0.121 9 0 "[ . 1 . 2]"
1 97 ARG 0.397 0.121 9 0 "[ . 1 . 2]"
2 1 U 3.488 0.124 3 0 "[ . 1 . 2]"
2 2 U 6.175 0.457 20 0 "[ . 1 . 2]"
2 3 A 6.989 0.189 7 0 "[ . 1 . 2]"
2 4 G 5.601 0.177 13 0 "[ . 1 . 2]"
2 5 G 7.051 0.236 1 0 "[ . 1 . 2]"
2 6 U 1.931 0.098 19 0 "[ . 1 . 2]"
2 7 C 0.451 0.085 13 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 8 LYS H 1 8 LYS QB 3.020 . 3.110 2.526 2.215 3.196 0.086 13 0 "[ . 1 . 2]" 1
2 1 8 LYS H 1 8 LYS QE 5.060 . 5.210 4.357 3.523 5.021 . 0 0 "[ . 1 . 2]" 1
3 1 8 LYS HA 1 8 LYS QD 3.880 . 4.000 3.252 2.053 4.177 0.177 7 0 "[ . 1 . 2]" 1
4 1 8 LYS HA 1 8 LYS QE 5.000 . 5.150 3.972 1.707 5.402 0.252 6 0 "[ . 1 . 2]" 1
5 1 8 LYS HB2 1 8 LYS QE 4.590 . 4.730 3.065 1.855 4.466 . 0 0 "[ . 1 . 2]" 1
6 1 8 LYS H 1 9 GLU H 3.820 . 3.930 3.288 1.995 4.043 0.113 13 0 "[ . 1 . 2]" 1
7 1 8 LYS HB2 1 9 GLU H 4.370 . 4.500 3.908 1.758 4.568 0.068 20 0 "[ . 1 . 2]" 1
8 1 9 GLU H 1 10 PRO QD 4.770 . 4.910 3.817 1.782 4.404 0.018 11 0 "[ . 1 . 2]" 1
9 1 10 PRO HA 1 11 GLU H 2.660 . 2.740 2.164 2.088 2.249 . 0 0 "[ . 1 . 2]" 1
10 1 10 PRO HA 1 11 GLU HA 4.660 . 4.800 4.424 4.344 4.503 . 0 0 "[ . 1 . 2]" 1
11 1 10 PRO HA 1 11 GLU QB 4.210 . 4.340 4.122 3.921 4.358 0.018 4 0 "[ . 1 . 2]" 1
12 1 10 PRO HB2 1 11 GLU H 4.330 . 4.460 3.976 3.742 4.202 . 0 0 "[ . 1 . 2]" 1
13 1 10 PRO QG 1 11 GLU H 4.970 . 5.120 4.816 4.637 5.004 . 0 0 "[ . 1 . 2]" 1
14 1 11 GLU H 1 11 GLU QB 2.880 . 2.970 2.237 2.066 2.466 . 0 0 "[ . 1 . 2]" 1
15 1 11 GLU HA 1 11 GLU QG 3.070 . 3.160 2.734 2.390 3.383 0.223 9 0 "[ . 1 . 2]" 1
16 1 10 PRO HA 1 12 GLN H 3.910 . 4.030 3.558 3.029 4.024 . 0 0 "[ . 1 . 2]" 1
17 1 11 GLU H 1 12 GLN H 3.550 . 3.660 2.586 2.334 2.734 . 0 0 "[ . 1 . 2]" 1
18 1 11 GLU H 1 12 GLN HA 5.110 . 5.260 5.169 4.897 5.327 0.067 1 0 "[ . 1 . 2]" 1
19 1 11 GLU HA 1 12 GLN H 3.560 . 3.670 3.469 3.305 3.549 . 0 0 "[ . 1 . 2]" 1
20 1 11 GLU QB 1 12 GLN HA 4.880 . 5.030 4.323 4.062 4.945 . 0 0 "[ . 1 . 2]" 1
21 1 11 GLU QG 1 12 GLN HA 4.280 . 4.410 3.701 3.096 4.273 . 0 0 "[ . 1 . 2]" 1
22 1 12 GLN H 1 12 GLN HB2 2.910 . 3.000 2.892 2.503 3.580 0.580 10 4 "[ .* +* . - 2]" 1
23 1 12 GLN HA 1 12 GLN HG3 3.670 . 3.780 2.990 2.667 3.760 . 0 0 "[ . 1 . 2]" 1
24 1 12 GLN HA 1 12 GLN QE 5.300 . 5.460 4.903 4.668 5.449 . 0 0 "[ . 1 . 2]" 1
25 1 10 PRO HB2 1 13 LEU H 4.540 . 4.680 2.442 2.085 2.608 . 0 0 "[ . 1 . 2]" 1
26 1 10 PRO HB2 1 13 LEU QB 4.690 . 4.830 2.826 1.726 3.655 0.074 17 0 "[ . 1 . 2]" 1
27 1 10 PRO HB2 1 13 LEU QD 4.380 . 4.510 2.609 1.672 3.334 0.128 5 0 "[ . 1 . 2]" 1
28 1 10 PRO QD 1 13 LEU QD 4.420 . 4.550 2.737 1.914 3.412 . 0 0 "[ . 1 . 2]" 1
29 1 10 PRO QG 1 13 LEU H 4.260 . 4.390 4.125 3.726 4.472 0.082 17 0 "[ . 1 . 2]" 1
30 1 10 PRO QG 1 13 LEU QB 3.730 . 3.840 3.500 2.252 4.021 0.181 18 0 "[ . 1 . 2]" 1
31 1 10 PRO QG 1 13 LEU QD 3.030 . 3.120 2.249 1.733 3.131 0.067 7 0 "[ . 1 . 2]" 1
32 1 11 GLU H 1 13 LEU H 4.730 . 4.870 4.471 4.040 4.858 . 0 0 "[ . 1 . 2]" 1
33 1 11 GLU HA 1 13 LEU H 4.590 . 4.730 4.384 4.008 4.720 . 0 0 "[ . 1 . 2]" 1
34 1 11 GLU HA 1 13 LEU QD 5.340 . 5.500 4.929 3.968 5.615 0.115 17 0 "[ . 1 . 2]" 1
35 1 11 GLU QG 1 13 LEU H 5.420 . 5.580 5.300 4.847 5.613 0.033 18 0 "[ . 1 . 2]" 1
36 1 12 GLN H 1 13 LEU H 3.510 . 3.620 2.845 2.532 3.094 . 0 0 "[ . 1 . 2]" 1
37 1 12 GLN H 1 13 LEU QB 4.890 . 5.040 4.792 4.205 5.131 0.091 13 0 "[ . 1 . 2]" 1
38 1 12 GLN H 1 13 LEU QD 5.440 . 5.600 4.849 4.094 5.549 . 0 0 "[ . 1 . 2]" 1
39 1 12 GLN HB2 1 13 LEU H 3.970 . 4.090 3.934 3.775 4.192 0.102 1 0 "[ . 1 . 2]" 1
40 1 12 GLN HB2 1 13 LEU QB 5.270 . 5.430 5.237 4.978 5.465 0.035 1 0 "[ . 1 . 2]" 1
41 1 12 GLN HG3 1 13 LEU HA 5.070 . 5.220 4.112 3.300 4.729 . 0 0 "[ . 1 . 2]" 1
42 1 12 GLN HG3 1 13 LEU QB 4.550 . 4.690 4.487 3.251 4.826 0.136 3 0 "[ . 1 . 2]" 1
43 1 13 LEU H 1 13 LEU QB 2.780 . 2.860 2.334 2.086 2.726 . 0 0 "[ . 1 . 2]" 1
44 1 13 LEU H 1 13 LEU QD 3.700 . 3.810 3.034 2.201 3.738 . 0 0 "[ . 1 . 2]" 1
45 1 13 LEU HA 1 13 LEU HG 3.950 . 4.070 3.350 2.594 3.770 . 0 0 "[ . 1 . 2]" 1
46 1 13 LEU QB 1 13 LEU MD1 2.400 . 2.470 2.141 2.063 2.253 . 0 0 "[ . 1 . 2]" 1
47 1 13 LEU QB 1 13 LEU MD2 2.400 . 2.470 2.129 2.053 2.254 . 0 0 "[ . 1 . 2]" 1
48 1 10 PRO HA 1 14 ARG QG 5.340 . 5.500 5.286 4.707 5.596 0.096 15 0 "[ . 1 . 2]" 1
49 1 11 GLU H 1 14 ARG H 5.250 . 5.410 4.943 4.706 5.161 . 0 0 "[ . 1 . 2]" 1
50 1 11 GLU HA 1 14 ARG H 3.560 . 3.670 3.389 2.996 3.661 . 0 0 "[ . 1 . 2]" 1
51 1 11 GLU HA 1 14 ARG HA 5.450 . 5.610 5.416 4.831 5.640 0.030 13 0 "[ . 1 . 2]" 1
52 1 11 GLU HA 1 14 ARG HB3 4.310 . 4.440 4.311 3.721 4.528 0.088 1 0 "[ . 1 . 2]" 1
53 1 11 GLU HA 1 14 ARG QD 4.750 . 4.890 4.185 3.213 4.939 0.049 20 0 "[ . 1 . 2]" 1
54 1 11 GLU HA 1 14 ARG QG 4.050 . 4.170 3.837 3.065 4.260 0.090 17 0 "[ . 1 . 2]" 1
55 1 12 GLN H 1 14 ARG H 4.290 . 4.420 3.992 3.784 4.136 . 0 0 "[ . 1 . 2]" 1
56 1 12 GLN HA 1 14 ARG H 4.360 . 4.490 4.233 3.995 4.458 . 0 0 "[ . 1 . 2]" 1
57 1 12 GLN HB2 1 14 ARG H 5.500 . 5.660 5.619 5.394 5.869 0.209 1 0 "[ . 1 . 2]" 1
58 1 13 LEU H 1 14 ARG H 3.150 . 3.240 2.441 2.310 2.559 . 0 0 "[ . 1 . 2]" 1
59 1 13 LEU H 1 14 ARG HA 5.430 . 5.590 5.069 4.952 5.191 . 0 0 "[ . 1 . 2]" 1
60 1 13 LEU HG 1 14 ARG H 4.460 . 4.590 3.613 2.969 4.610 0.020 2 0 "[ . 1 . 2]" 1
61 1 13 LEU HG 1 14 ARG HA 4.700 . 4.840 4.082 3.267 4.914 0.074 7 0 "[ . 1 . 2]" 1
62 1 13 LEU QB 1 14 ARG H 3.790 . 3.900 3.425 2.585 3.828 . 0 0 "[ . 1 . 2]" 1
63 1 13 LEU QD 1 14 ARG H 3.440 . 3.540 2.993 2.345 3.674 0.134 6 0 "[ . 1 . 2]" 1
64 1 13 LEU QD 1 14 ARG HA 3.720 . 3.830 3.326 2.773 3.938 0.108 6 0 "[ . 1 . 2]" 1
65 1 13 LEU QD 1 14 ARG QG 3.070 . 3.160 2.264 1.797 3.112 0.003 16 0 "[ . 1 . 2]" 1
66 1 14 ARG H 1 14 ARG HB3 3.810 . 3.920 3.654 3.590 3.696 . 0 0 "[ . 1 . 2]" 1
67 1 14 ARG H 1 14 ARG HG2 3.870 . 3.990 3.721 3.365 3.937 . 0 0 "[ . 1 . 2]" 1
68 1 14 ARG H 1 14 ARG QD 4.700 . 4.840 4.388 4.035 4.726 . 0 0 "[ . 1 . 2]" 1
69 1 14 ARG H 1 14 ARG QG 3.240 . 3.340 2.677 2.420 2.918 . 0 0 "[ . 1 . 2]" 1
70 1 14 ARG HA 1 14 ARG HG2 3.790 . 3.900 2.460 2.334 2.602 . 0 0 "[ . 1 . 2]" 1
71 1 9 GLU H 1 14 ARG HE 5.500 . 5.660 4.946 3.192 5.796 0.136 19 0 "[ . 1 . 2]" 1
72 1 9 GLU H 1 14 ARG QD 5.500 . 5.660 4.710 2.765 5.752 0.092 3 0 "[ . 1 . 2]" 1
73 1 11 GLU HA 1 15 LYS H 4.390 . 4.520 4.293 3.890 4.558 0.038 17 0 "[ . 1 . 2]" 1
74 1 11 GLU QG 1 15 LYS H 4.660 . 4.800 4.426 4.068 4.846 0.046 4 0 "[ . 1 . 2]" 1
75 1 11 GLU QG 1 15 LYS QD 4.480 . 4.610 4.044 2.889 4.365 . 0 0 "[ . 1 . 2]" 1
76 1 12 GLN HA 1 15 LYS H 3.830 . 3.940 3.735 3.147 4.032 0.092 18 0 "[ . 1 . 2]" 1
77 1 12 GLN HA 1 15 LYS HB2 4.380 . 4.510 3.677 2.846 4.206 . 0 0 "[ . 1 . 2]" 1
78 1 12 GLN HA 1 15 LYS QB 3.800 . 3.910 2.949 2.141 3.456 . 0 0 "[ . 1 . 2]" 1
79 1 12 GLN HA 1 15 LYS QD 4.560 . 4.700 4.076 2.911 4.741 0.041 13 0 "[ . 1 . 2]" 1
80 1 12 GLN HA 1 15 LYS QE 5.340 . 5.500 3.654 2.809 4.973 . 0 0 "[ . 1 . 2]" 1
81 1 13 LEU H 1 15 LYS H 3.980 . 4.100 3.858 3.640 3.994 . 0 0 "[ . 1 . 2]" 1
82 1 13 LEU H 1 15 LYS QB 5.170 . 5.330 4.843 4.435 5.100 . 0 0 "[ . 1 . 2]" 1
83 1 13 LEU QD 1 15 LYS H 4.520 . 4.660 4.502 4.247 4.775 0.115 10 0 "[ . 1 . 2]" 1
84 1 14 ARG H 1 15 LYS H 2.930 . 3.020 2.230 2.106 2.435 . 0 0 "[ . 1 . 2]" 1
85 1 14 ARG H 1 15 LYS HB2 4.940 . 5.090 4.318 4.182 4.658 . 0 0 "[ . 1 . 2]" 1
86 1 14 ARG H 1 15 LYS QB 4.300 . 4.430 3.927 3.795 4.036 . 0 0 "[ . 1 . 2]" 1
87 1 14 ARG HB3 1 15 LYS H 4.280 . 4.410 4.147 3.964 4.265 . 0 0 "[ . 1 . 2]" 1
88 1 14 ARG QD 1 15 LYS H 5.500 . 5.660 5.628 5.391 5.802 0.142 2 0 "[ . 1 . 2]" 1
89 1 14 ARG QG 1 15 LYS H 4.990 . 5.140 4.324 4.087 4.461 . 0 0 "[ . 1 . 2]" 1
90 1 15 LYS H 1 15 LYS HB2 3.190 . 3.290 2.690 2.533 2.888 . 0 0 "[ . 1 . 2]" 1
91 1 15 LYS H 1 15 LYS HG2 4.820 . 4.960 4.469 4.242 4.556 . 0 0 "[ . 1 . 2]" 1
92 1 15 LYS H 1 15 LYS QD 4.750 . 4.890 4.780 4.385 4.923 0.033 13 0 "[ . 1 . 2]" 1
93 1 15 LYS H 1 15 LYS QE 4.950 . 5.100 4.511 4.202 5.421 0.321 16 0 "[ . 1 . 2]" 1
94 1 15 LYS H 1 15 LYS QG 4.150 . 4.270 4.015 3.875 4.060 . 0 0 "[ . 1 . 2]" 1
95 1 15 LYS HA 1 15 LYS HG2 4.140 . 4.260 2.970 2.809 3.342 . 0 0 "[ . 1 . 2]" 1
96 1 15 LYS HA 1 15 LYS QD 4.540 . 4.680 4.192 4.001 4.246 . 0 0 "[ . 1 . 2]" 1
97 1 15 LYS HA 1 15 LYS QE 4.610 . 4.750 4.298 4.176 4.830 0.080 13 0 "[ . 1 . 2]" 1
98 1 15 LYS HA 1 15 LYS QG 3.630 . 3.740 2.424 2.360 2.555 . 0 0 "[ . 1 . 2]" 1
99 1 15 LYS HB2 1 15 LYS QD 3.720 . 3.830 2.933 2.433 3.085 . 0 0 "[ . 1 . 2]" 1
100 1 15 LYS H 1 16 LEU H 4.690 . 4.830 4.473 4.427 4.510 . 0 0 "[ . 1 . 2]" 1
101 1 15 LYS HA 1 16 LEU H 2.790 . 2.870 2.132 2.093 2.162 . 0 0 "[ . 1 . 2]" 1
102 1 15 LYS HA 1 16 LEU MD1 5.500 . 5.660 5.232 4.871 5.669 0.009 7 0 "[ . 1 . 2]" 1
103 1 15 LYS HA 1 16 LEU MD2 5.500 . 5.660 5.518 5.195 5.699 0.039 5 0 "[ . 1 . 2]" 1
104 1 15 LYS HB2 1 16 LEU H 4.150 . 4.270 4.172 4.061 4.281 0.011 8 0 "[ . 1 . 2]" 1
105 1 15 LYS HG2 1 16 LEU H 3.550 . 3.660 2.757 2.525 3.423 . 0 0 "[ . 1 . 2]" 1
106 1 15 LYS QB 1 16 LEU H 3.610 . 3.720 3.628 3.547 3.743 0.023 16 0 "[ . 1 . 2]" 1
107 1 15 LYS QD 1 16 LEU H 4.760 . 4.900 4.490 4.324 4.870 . 0 0 "[ . 1 . 2]" 1
108 1 15 LYS QG 1 16 LEU H 3.010 . 3.100 2.569 2.412 2.832 . 0 0 "[ . 1 . 2]" 1
109 1 16 LEU H 1 16 LEU HB3 3.500 . 3.600 3.027 2.733 3.418 . 0 0 "[ . 1 . 2]" 1
110 1 16 LEU H 1 16 LEU MD1 4.430 . 4.560 4.009 3.833 4.203 . 0 0 "[ . 1 . 2]" 1
111 1 16 LEU H 1 16 LEU MD2 4.430 . 4.560 4.187 3.972 4.333 . 0 0 "[ . 1 . 2]" 1
112 1 16 LEU HA 1 16 LEU MD1 3.810 . 3.920 2.605 1.799 3.765 0.001 18 0 "[ . 1 . 2]" 1
113 1 16 LEU HA 1 16 LEU MD2 3.810 . 3.920 2.974 1.783 3.787 0.017 7 0 "[ . 1 . 2]" 1
114 1 16 LEU HA 1 16 LEU QD 2.650 . 2.730 1.816 1.780 1.916 0.020 7 0 "[ . 1 . 2]" 1
115 1 16 LEU HB3 1 16 LEU MD1 3.390 . 3.490 2.834 2.272 3.188 . 0 0 "[ . 1 . 2]" 1
116 1 16 LEU HB3 1 16 LEU MD2 3.390 . 3.490 2.428 2.373 2.495 . 0 0 "[ . 1 . 2]" 1
117 1 16 LEU HB3 1 16 LEU QD 2.950 . 3.040 2.248 2.096 2.349 . 0 0 "[ . 1 . 2]" 1
118 1 16 LEU H 1 17 PHE H 4.590 . 4.730 4.408 4.351 4.457 . 0 0 "[ . 1 . 2]" 1
119 1 16 LEU HA 1 17 PHE H 3.110 . 3.200 2.134 2.103 2.164 . 0 0 "[ . 1 . 2]" 1
120 1 16 LEU HA 1 17 PHE HA 5.330 . 5.490 4.397 4.385 4.412 . 0 0 "[ . 1 . 2]" 1
121 1 16 LEU HA 1 17 PHE HB3 4.780 . 4.920 4.532 4.442 4.604 . 0 0 "[ . 1 . 2]" 1
122 1 16 LEU HB3 1 17 PHE H 3.870 . 3.990 3.720 3.361 4.002 0.012 15 0 "[ . 1 . 2]" 1
123 1 16 LEU MD1 1 17 PHE H 4.520 . 4.660 3.535 2.603 4.704 0.044 16 0 "[ . 1 . 2]" 1
124 1 16 LEU MD2 1 17 PHE H 4.520 . 4.660 3.895 2.614 4.735 0.075 18 0 "[ . 1 . 2]" 1
125 1 16 LEU QD 1 17 PHE H 3.150 . 3.240 2.733 2.591 2.901 . 0 0 "[ . 1 . 2]" 1
126 1 16 LEU QD 1 17 PHE HB3 5.170 . 5.330 4.411 4.165 4.621 . 0 0 "[ . 1 . 2]" 1
127 1 17 PHE H 1 17 PHE HB3 3.570 . 3.680 2.426 2.352 2.486 . 0 0 "[ . 1 . 2]" 1
128 1 16 LEU H 1 18 ILE MD 4.620 . 4.760 4.502 4.367 4.693 . 0 0 "[ . 1 . 2]" 1
129 1 16 LEU HA 1 18 ILE MD 4.170 . 4.300 4.033 3.920 4.150 . 0 0 "[ . 1 . 2]" 1
130 1 16 LEU HB3 1 18 ILE HG13 5.030 . 5.180 4.098 3.861 4.276 . 0 0 "[ . 1 . 2]" 1
131 1 16 LEU HB3 1 18 ILE MD 3.070 . 3.160 2.026 1.783 2.270 0.017 11 0 "[ . 1 . 2]" 1
132 1 16 LEU MD1 1 18 ILE MD 3.920 . 4.040 3.150 2.428 3.770 . 0 0 "[ . 1 . 2]" 1
133 1 16 LEU MD2 1 18 ILE MD 3.920 . 4.040 2.568 2.191 3.073 . 0 0 "[ . 1 . 2]" 1
134 1 16 LEU QD 1 18 ILE MD 2.770 . 2.850 2.303 2.174 2.510 . 0 0 "[ . 1 . 2]" 1
135 1 17 PHE H 1 18 ILE H 5.030 . 5.180 4.375 4.326 4.440 . 0 0 "[ . 1 . 2]" 1
136 1 17 PHE H 1 18 ILE MD 4.850 . 5.000 3.693 3.540 3.788 . 0 0 "[ . 1 . 2]" 1
137 1 17 PHE HB3 1 18 ILE H 5.050 . 5.200 4.346 4.300 4.407 . 0 0 "[ . 1 . 2]" 1
138 1 18 ILE H 1 18 ILE HB 3.720 . 3.830 2.723 2.679 2.774 . 0 0 "[ . 1 . 2]" 1
139 1 18 ILE H 1 18 ILE HG12 3.940 . 4.060 2.400 2.285 2.520 . 0 0 "[ . 1 . 2]" 1
140 1 18 ILE H 1 18 ILE HG13 4.290 . 4.420 3.899 3.812 3.984 . 0 0 "[ . 1 . 2]" 1
141 1 18 ILE H 1 18 ILE MD 3.740 . 3.850 3.117 3.056 3.202 . 0 0 "[ . 1 . 2]" 1
142 1 18 ILE H 1 18 ILE MG 4.140 . 4.260 3.862 3.850 3.878 . 0 0 "[ . 1 . 2]" 1
143 1 18 ILE HA 1 18 ILE MD 3.010 . 3.100 2.177 2.080 2.282 . 0 0 "[ . 1 . 2]" 1
144 1 18 ILE HA 1 18 ILE MG 3.170 . 3.270 2.285 2.254 2.320 . 0 0 "[ . 1 . 2]" 1
145 1 18 ILE HB 1 18 ILE MD 3.330 . 3.430 3.232 3.223 3.241 . 0 0 "[ . 1 . 2]" 1
146 1 18 ILE HG12 1 18 ILE MG 3.300 . 3.400 3.195 3.187 3.200 . 0 0 "[ . 1 . 2]" 1
147 1 18 ILE HG13 1 18 ILE MG 3.350 . 3.450 2.303 2.275 2.330 . 0 0 "[ . 1 . 2]" 1
148 1 18 ILE MD 1 18 ILE MG 2.530 . 2.610 2.043 2.006 2.081 . 0 0 "[ . 1 . 2]" 1
149 1 18 ILE HA 1 19 GLY H 2.950 . 3.040 2.209 2.157 2.261 . 0 0 "[ . 1 . 2]" 1
150 1 18 ILE HA 1 19 GLY HA3 4.710 . 4.850 4.475 4.423 4.524 . 0 0 "[ . 1 . 2]" 1
151 1 18 ILE HB 1 19 GLY H 4.530 . 4.670 4.329 4.281 4.372 . 0 0 "[ . 1 . 2]" 1
152 1 18 ILE HG12 1 19 GLY H 5.490 . 5.650 5.297 5.279 5.317 . 0 0 "[ . 1 . 2]" 1
153 1 18 ILE MD 1 19 GLY H 4.310 . 4.440 4.038 3.905 4.182 . 0 0 "[ . 1 . 2]" 1
154 1 18 ILE MG 1 19 GLY H 3.490 . 3.590 3.319 3.164 3.457 . 0 0 "[ . 1 . 2]" 1
155 1 18 ILE MG 1 19 GLY HA3 5.460 . 5.620 4.771 4.645 4.901 . 0 0 "[ . 1 . 2]" 1
156 1 18 ILE MG 1 20 GLY H 5.150 . 5.300 4.903 4.741 5.074 . 0 0 "[ . 1 . 2]" 1
157 1 19 GLY H 1 20 GLY H 4.980 . 5.130 4.499 4.466 4.519 . 0 0 "[ . 1 . 2]" 1
158 1 19 GLY HA2 1 20 GLY HA3 4.790 . 4.930 4.429 4.399 4.478 . 0 0 "[ . 1 . 2]" 1
159 1 19 GLY HA3 1 20 GLY HA2 5.270 . 5.430 4.736 4.663 4.807 . 0 0 "[ . 1 . 2]" 1
160 1 18 ILE HB 1 21 LEU MD1 5.100 . 5.250 4.978 4.722 5.213 . 0 0 "[ . 1 . 2]" 1
161 1 18 ILE HB 1 21 LEU MD2 3.450 . 3.550 2.512 2.289 2.818 . 0 0 "[ . 1 . 2]" 1
162 1 19 GLY HA2 1 21 LEU HG 5.500 . 5.660 3.672 3.356 3.992 . 0 0 "[ . 1 . 2]" 1
163 1 19 GLY HA2 1 21 LEU MD2 4.280 . 4.410 3.964 3.708 4.175 . 0 0 "[ . 1 . 2]" 1
164 1 20 GLY H 1 21 LEU HA 5.080 . 5.230 4.958 4.795 5.066 . 0 0 "[ . 1 . 2]" 1
165 1 20 GLY H 1 21 LEU HG 3.780 . 3.890 3.383 3.260 3.529 . 0 0 "[ . 1 . 2]" 1
166 1 20 GLY HA2 1 21 LEU HA 5.340 . 5.500 4.505 4.382 4.642 . 0 0 "[ . 1 . 2]" 1
167 1 20 GLY HA2 1 21 LEU HB3 5.500 . 5.660 5.575 5.347 5.738 0.078 10 0 "[ . 1 . 2]" 1
168 1 20 GLY HA2 1 21 LEU HG 5.040 . 5.190 4.706 4.471 4.962 . 0 0 "[ . 1 . 2]" 1
169 1 21 LEU H 1 21 LEU HB3 3.260 . 3.360 3.114 2.879 3.329 . 0 0 "[ . 1 . 2]" 1
170 1 21 LEU HA 1 21 LEU HG 4.180 . 4.310 3.646 3.610 3.670 . 0 0 "[ . 1 . 2]" 1
171 1 21 LEU HA 1 21 LEU MD1 4.040 . 4.160 3.679 3.644 3.730 . 0 0 "[ . 1 . 2]" 1
172 1 21 LEU HB3 1 21 LEU MD1 3.230 . 3.330 3.169 3.142 3.186 . 0 0 "[ . 1 . 2]" 1
173 1 21 LEU HA 1 22 SER H 2.730 . 2.810 2.502 2.401 2.607 . 0 0 "[ . 1 . 2]" 1
174 1 21 LEU HB3 1 22 SER H 4.160 . 4.280 3.493 3.307 3.619 . 0 0 "[ . 1 . 2]" 1
175 1 21 LEU HG 1 22 SER H 4.840 . 4.990 4.589 4.412 4.734 . 0 0 "[ . 1 . 2]" 1
176 1 21 LEU MD1 1 22 SER H 4.350 . 4.480 3.198 2.964 3.448 . 0 0 "[ . 1 . 2]" 1
177 1 22 SER HA 1 23 PHE QB 5.340 . 5.500 4.615 4.514 4.742 . 0 0 "[ . 1 . 2]" 1
178 1 22 SER H 1 24 GLU H 5.090 . 5.240 4.573 4.247 4.901 . 0 0 "[ . 1 . 2]" 1
179 1 23 PHE H 1 24 GLU HG3 3.730 . 3.840 3.460 3.046 3.720 . 0 0 "[ . 1 . 2]" 1
180 1 23 PHE HB2 1 24 GLU HG3 5.210 . 5.370 3.668 3.372 3.918 . 0 0 "[ . 1 . 2]" 1
181 1 23 PHE QB 1 24 GLU H 3.860 . 3.980 3.331 3.161 3.507 . 0 0 "[ . 1 . 2]" 1
182 1 23 PHE QB 1 24 GLU HA 4.610 . 4.750 4.202 4.113 4.285 . 0 0 "[ . 1 . 2]" 1
183 1 23 PHE QB 1 24 GLU HG3 4.400 . 4.530 3.576 3.300 3.800 . 0 0 "[ . 1 . 2]" 1
184 1 23 PHE QB 1 24 GLU QB 5.330 . 5.490 4.823 4.714 4.939 . 0 0 "[ . 1 . 2]" 1
185 1 23 PHE QD 1 24 GLU H 4.830 . 4.970 4.531 4.369 4.714 . 0 0 "[ . 1 . 2]" 1
186 1 23 PHE QD 1 24 GLU HG3 5.500 . 5.660 4.793 4.476 5.066 . 0 0 "[ . 1 . 2]" 1
187 1 24 GLU H 1 24 GLU HG3 2.940 . 3.030 2.314 1.930 2.569 . 0 0 "[ . 1 . 2]" 1
188 1 24 GLU H 1 24 GLU QB 3.040 . 3.130 2.563 2.516 2.610 . 0 0 "[ . 1 . 2]" 1
189 1 24 GLU HA 1 24 GLU HG3 3.530 . 3.640 3.277 3.072 3.381 . 0 0 "[ . 1 . 2]" 1
190 1 24 GLU QB 1 24 GLU HG3 2.400 . 2.470 2.320 2.273 2.401 . 0 0 "[ . 1 . 2]" 1
191 1 21 LEU MD1 1 25 THR H 4.040 . 4.160 3.654 3.525 3.754 . 0 0 "[ . 1 . 2]" 1
192 1 21 LEU MD1 1 25 THR HA 5.400 . 5.560 4.412 4.316 4.501 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU MD1 1 25 THR HB 3.490 . 3.590 1.728 1.696 1.778 0.104 1 0 "[ . 1 . 2]" 1
194 1 21 LEU MD1 1 25 THR MG 2.900 . 2.990 2.430 2.229 2.669 . 0 0 "[ . 1 . 2]" 1
195 1 21 LEU MD2 1 25 THR HB 3.770 . 3.880 3.303 3.066 3.562 . 0 0 "[ . 1 . 2]" 1
196 1 21 LEU MD2 1 25 THR MG 2.600 . 2.680 1.963 1.798 2.323 0.002 18 0 "[ . 1 . 2]" 1
197 1 22 SER H 1 25 THR H 4.470 . 4.600 4.032 3.731 4.375 . 0 0 "[ . 1 . 2]" 1
198 1 22 SER H 1 25 THR HB 5.130 . 5.280 3.573 3.340 4.007 . 0 0 "[ . 1 . 2]" 1
199 1 22 SER H 1 25 THR MG 5.060 . 5.210 3.882 3.640 4.094 . 0 0 "[ . 1 . 2]" 1
200 1 22 SER HA 1 25 THR HB 5.500 . 5.660 5.153 4.918 5.532 . 0 0 "[ . 1 . 2]" 1
201 1 23 PHE HB2 1 25 THR H 5.500 . 5.660 5.139 5.016 5.276 . 0 0 "[ . 1 . 2]" 1
202 1 24 GLU H 1 25 THR H 2.890 . 2.980 2.109 1.967 2.239 . 0 0 "[ . 1 . 2]" 1
203 1 24 GLU H 1 25 THR HA 4.710 . 4.850 4.676 4.542 4.810 . 0 0 "[ . 1 . 2]" 1
204 1 24 GLU H 1 25 THR HB 4.890 . 5.040 4.423 4.332 4.508 . 0 0 "[ . 1 . 2]" 1
205 1 24 GLU H 1 25 THR MG 5.500 . 5.660 5.402 5.302 5.508 . 0 0 "[ . 1 . 2]" 1
206 1 24 GLU HA 1 25 THR H 3.560 . 3.670 3.327 3.225 3.382 . 0 0 "[ . 1 . 2]" 1
207 1 24 GLU HA 1 25 THR HB 5.500 . 5.660 5.655 5.563 5.721 0.061 2 0 "[ . 1 . 2]" 1
208 1 24 GLU HG3 1 25 THR H 4.130 . 4.250 4.213 3.895 4.347 0.097 12 0 "[ . 1 . 2]" 1
209 1 24 GLU QB 1 25 THR H 3.540 . 3.650 3.198 3.047 3.406 . 0 0 "[ . 1 . 2]" 1
210 1 24 GLU QB 1 25 THR HA 5.420 . 5.580 4.057 3.915 4.256 . 0 0 "[ . 1 . 2]" 1
211 1 24 GLU QB 1 25 THR HB 5.500 . 5.660 5.319 5.054 5.438 . 0 0 "[ . 1 . 2]" 1
212 1 25 THR H 1 25 THR HB 2.710 . 2.790 2.534 2.453 2.592 . 0 0 "[ . 1 . 2]" 1
213 1 25 THR H 1 25 THR MG 3.870 . 3.990 3.759 3.740 3.775 . 0 0 "[ . 1 . 2]" 1
214 1 25 THR HA 1 25 THR MG 2.940 . 3.030 2.370 2.331 2.409 . 0 0 "[ . 1 . 2]" 1
215 1 24 GLU HA 1 26 THR MG 4.880 . 5.030 5.010 4.889 5.119 0.089 2 0 "[ . 1 . 2]" 1
216 1 25 THR H 1 26 THR H 4.520 . 4.660 4.290 4.119 4.543 . 0 0 "[ . 1 . 2]" 1
217 1 25 THR H 1 26 THR MG 5.360 . 5.520 5.337 5.207 5.529 0.009 12 0 "[ . 1 . 2]" 1
218 1 25 THR HA 1 26 THR H 2.610 . 2.690 2.178 2.103 2.238 . 0 0 "[ . 1 . 2]" 1
219 1 25 THR HA 1 26 THR HA 4.510 . 4.650 4.405 4.371 4.461 . 0 0 "[ . 1 . 2]" 1
220 1 25 THR HA 1 26 THR MG 4.050 . 4.170 3.714 3.508 4.010 . 0 0 "[ . 1 . 2]" 1
221 1 25 THR HB 1 26 THR H 4.480 . 4.610 4.356 4.099 4.446 . 0 0 "[ . 1 . 2]" 1
222 1 25 THR MG 1 26 THR HA 4.000 . 4.120 3.838 3.534 4.126 0.006 10 0 "[ . 1 . 2]" 1
223 1 26 THR H 1 26 THR MG 2.990 . 3.080 2.021 1.793 2.235 0.007 10 0 "[ . 1 . 2]" 1
224 1 26 THR HA 1 26 THR MG 3.250 . 3.350 3.208 3.197 3.217 . 0 0 "[ . 1 . 2]" 1
225 1 25 THR MG 1 27 ASP H 5.140 . 5.290 5.151 4.834 5.331 0.041 3 0 "[ . 1 . 2]" 1
226 1 26 THR H 1 27 ASP H 4.940 . 5.090 4.463 4.350 4.576 . 0 0 "[ . 1 . 2]" 1
227 1 26 THR HA 1 27 ASP H 2.560 . 2.640 2.502 2.342 2.677 0.037 12 0 "[ . 1 . 2]" 1
228 1 26 THR HA 1 27 ASP HA 4.490 . 4.620 4.223 4.165 4.293 . 0 0 "[ . 1 . 2]" 1
229 1 26 THR HA 1 27 ASP HB2 5.500 . 5.660 5.092 4.645 5.758 0.098 10 0 "[ . 1 . 2]" 1
230 1 26 THR HA 1 27 ASP QB 4.790 . 4.930 4.510 4.266 4.962 0.032 6 0 "[ . 1 . 2]" 1
231 1 26 THR MG 1 27 ASP QB 5.040 . 5.190 4.281 3.278 5.082 . 0 0 "[ . 1 . 2]" 1
232 1 27 ASP H 1 27 ASP HA 2.930 . 3.020 2.753 2.715 2.803 . 0 0 "[ . 1 . 2]" 1
233 1 27 ASP H 1 27 ASP HB2 3.670 . 3.780 2.784 2.447 3.582 . 0 0 "[ . 1 . 2]" 1
234 1 27 ASP H 1 27 ASP QB 2.830 . 2.910 2.362 2.110 2.861 . 0 0 "[ . 1 . 2]" 1
235 1 26 THR MG 1 28 GLU H 3.420 . 3.520 2.694 2.220 3.156 . 0 0 "[ . 1 . 2]" 1
236 1 26 THR MG 1 28 GLU HB3 4.240 . 4.370 3.992 3.765 4.297 . 0 0 "[ . 1 . 2]" 1
237 1 26 THR MG 1 28 GLU HG2 5.170 . 5.330 1.986 1.779 2.496 0.021 6 0 "[ . 1 . 2]" 1
238 1 27 ASP H 1 28 GLU H 2.980 . 3.070 2.895 2.688 3.084 0.014 12 0 "[ . 1 . 2]" 1
239 1 27 ASP H 1 28 GLU HB3 5.500 . 5.660 5.376 5.118 5.631 . 0 0 "[ . 1 . 2]" 1
240 1 27 ASP H 1 28 GLU HG2 5.500 . 5.660 4.154 3.774 4.375 . 0 0 "[ . 1 . 2]" 1
241 1 27 ASP HA 1 28 GLU H 3.540 . 3.650 3.542 3.506 3.570 . 0 0 "[ . 1 . 2]" 1
242 1 27 ASP QB 1 28 GLU H 3.030 . 3.120 2.584 2.219 3.314 0.194 15 0 "[ . 1 . 2]" 1
243 1 27 ASP QB 1 28 GLU HA 4.610 . 4.750 4.107 3.611 4.641 . 0 0 "[ . 1 . 2]" 1
244 1 27 ASP QB 1 28 GLU HB3 4.900 . 5.050 4.255 3.784 5.077 0.027 10 0 "[ . 1 . 2]" 1
245 1 28 GLU H 1 28 GLU HB3 2.900 . 2.990 2.589 2.482 2.681 . 0 0 "[ . 1 . 2]" 1
246 1 28 GLU H 1 28 GLU HG2 3.440 . 3.540 2.072 1.954 2.265 . 0 0 "[ . 1 . 2]" 1
247 1 28 GLU HA 1 28 GLU HG2 3.820 . 3.930 3.749 3.695 3.812 . 0 0 "[ . 1 . 2]" 1
248 1 25 THR MG 1 29 SER HA 5.380 . 5.540 5.258 4.550 5.569 0.029 4 0 "[ . 1 . 2]" 1
249 1 26 THR HA 1 29 SER H 4.460 . 4.590 4.707 4.641 4.769 0.179 2 0 "[ . 1 . 2]" 1
250 1 26 THR MG 1 29 SER H 3.610 . 3.720 2.061 1.800 2.329 0.000 10 0 "[ . 1 . 2]" 1
251 1 26 THR MG 1 29 SER HA 5.500 . 5.660 4.154 3.792 4.541 . 0 0 "[ . 1 . 2]" 1
252 1 27 ASP QB 1 29 SER H 5.340 . 5.500 4.729 4.463 5.126 . 0 0 "[ . 1 . 2]" 1
253 1 28 GLU H 1 29 SER HA 5.500 . 5.660 5.295 5.240 5.355 . 0 0 "[ . 1 . 2]" 1
254 1 28 GLU HB3 1 29 SER H 3.970 . 4.090 4.011 3.938 4.087 . 0 0 "[ . 1 . 2]" 1
255 1 28 GLU HG2 1 29 SER H 3.760 . 3.870 2.746 2.561 2.916 . 0 0 "[ . 1 . 2]" 1
256 1 28 GLU HG2 1 29 SER HA 5.360 . 5.520 4.967 4.716 5.290 . 0 0 "[ . 1 . 2]" 1
257 1 18 ILE HB 1 30 LEU HG 5.140 . 5.290 4.722 3.809 5.308 0.018 8 0 "[ . 1 . 2]" 1
258 1 18 ILE HG13 1 30 LEU QD 3.070 . 3.160 2.315 1.786 2.709 0.014 5 0 "[ . 1 . 2]" 1
259 1 18 ILE MD 1 30 LEU QD 3.910 . 4.030 3.485 3.048 3.775 . 0 0 "[ . 1 . 2]" 1
260 1 18 ILE MG 1 30 LEU QD 2.900 . 2.990 2.239 1.796 2.598 0.004 17 0 "[ . 1 . 2]" 1
261 1 21 LEU MD2 1 30 LEU QD 2.680 . 2.760 2.068 1.791 2.293 0.009 6 0 "[ . 1 . 2]" 1
262 1 25 THR HA 1 30 LEU H 5.290 . 5.450 4.852 4.546 5.126 . 0 0 "[ . 1 . 2]" 1
263 1 25 THR MG 1 30 LEU H 3.690 . 3.800 3.491 3.264 3.644 . 0 0 "[ . 1 . 2]" 1
264 1 25 THR MG 1 30 LEU QD 2.750 . 2.830 2.100 1.787 2.423 0.013 11 0 "[ . 1 . 2]" 1
265 1 26 THR H 1 30 LEU H 4.640 . 4.780 3.917 3.441 4.321 . 0 0 "[ . 1 . 2]" 1
266 1 26 THR HA 1 30 LEU H 5.400 . 5.560 4.871 4.741 5.008 . 0 0 "[ . 1 . 2]" 1
267 1 26 THR MG 1 30 LEU H 5.140 . 5.290 3.775 3.563 4.003 . 0 0 "[ . 1 . 2]" 1
268 1 27 ASP H 1 30 LEU H 4.870 . 5.020 4.648 4.546 4.761 . 0 0 "[ . 1 . 2]" 1
269 1 27 ASP HA 1 30 LEU H 4.530 . 4.670 3.556 3.255 3.849 . 0 0 "[ . 1 . 2]" 1
270 1 27 ASP HA 1 30 LEU HB3 3.950 . 4.070 2.804 2.424 3.309 . 0 0 "[ . 1 . 2]" 1
271 1 27 ASP HA 1 30 LEU QD 4.340 . 4.470 3.703 3.189 4.175 . 0 0 "[ . 1 . 2]" 1
272 1 27 ASP HB2 1 30 LEU H 5.500 . 5.660 5.546 5.244 5.789 0.129 12 0 "[ . 1 . 2]" 1
273 1 28 GLU H 1 30 LEU H 5.100 . 5.250 4.000 3.897 4.119 . 0 0 "[ . 1 . 2]" 1
274 1 28 GLU HA 1 30 LEU H 4.160 . 4.280 4.296 4.163 4.363 0.083 17 0 "[ . 1 . 2]" 1
275 1 28 GLU HB3 1 30 LEU H 5.500 . 5.660 5.727 5.685 5.761 0.101 5 0 "[ . 1 . 2]" 1
276 1 28 GLU HG2 1 30 LEU H 4.550 . 4.690 4.927 4.743 5.185 0.495 5 0 "[ . 1 . 2]" 1
277 1 29 SER H 1 30 LEU H 3.050 . 3.140 2.383 2.249 2.525 . 0 0 "[ . 1 . 2]" 1
278 1 29 SER H 1 30 LEU HB3 5.070 . 5.220 4.744 4.513 5.071 . 0 0 "[ . 1 . 2]" 1
279 1 29 SER HA 1 30 LEU H 3.490 . 3.590 3.474 3.402 3.503 . 0 0 "[ . 1 . 2]" 1
280 1 29 SER HA 1 30 LEU HA 4.880 . 5.030 4.761 4.659 4.807 . 0 0 "[ . 1 . 2]" 1
281 1 30 LEU H 1 30 LEU HB3 2.780 . 2.860 2.606 2.446 2.801 . 0 0 "[ . 1 . 2]" 1
282 1 30 LEU H 1 30 LEU QD 4.360 . 4.490 3.691 3.620 3.793 . 0 0 "[ . 1 . 2]" 1
283 1 30 LEU HA 1 30 LEU HG 3.740 . 3.850 3.257 2.425 3.723 . 0 0 "[ . 1 . 2]" 1
284 1 30 LEU HB3 1 30 LEU MD1 3.490 . 3.590 2.637 2.258 3.191 . 0 0 "[ . 1 . 2]" 1
285 1 30 LEU HB3 1 30 LEU MD2 3.490 . 3.590 2.724 2.172 3.197 . 0 0 "[ . 1 . 2]" 1
286 1 30 LEU HB3 1 30 LEU QD 2.760 . 2.840 2.207 2.085 2.255 . 0 0 "[ . 1 . 2]" 1
287 1 28 GLU H 1 31 ARG H 4.970 . 5.120 4.847 4.682 5.056 . 0 0 "[ . 1 . 2]" 1
288 1 28 GLU HA 1 31 ARG HD2 4.590 . 4.730 3.925 3.130 4.759 0.029 4 0 "[ . 1 . 2]" 1
289 1 28 GLU HA 1 31 ARG QD 3.990 . 4.110 3.125 2.445 3.750 . 0 0 "[ . 1 . 2]" 1
290 1 28 GLU HA 1 31 ARG QG 4.000 . 4.120 2.694 2.335 3.016 . 0 0 "[ . 1 . 2]" 1
291 1 29 SER H 1 31 ARG H 4.610 . 4.750 4.220 3.980 4.393 . 0 0 "[ . 1 . 2]" 1
292 1 29 SER HA 1 31 ARG H 5.100 . 5.250 4.630 4.334 4.890 . 0 0 "[ . 1 . 2]" 1
293 1 30 LEU H 1 31 ARG H 3.140 . 3.230 2.641 2.456 2.773 . 0 0 "[ . 1 . 2]" 1
294 1 30 LEU H 1 31 ARG HA 5.280 . 5.440 5.222 5.068 5.329 . 0 0 "[ . 1 . 2]" 1
295 1 30 LEU H 1 31 ARG QG 4.630 . 4.770 4.579 4.285 4.783 0.013 20 0 "[ . 1 . 2]" 1
296 1 30 LEU HB3 1 31 ARG H 3.280 . 3.380 2.399 2.266 2.534 . 0 0 "[ . 1 . 2]" 1
297 1 30 LEU QD 1 31 ARG H 3.710 . 3.820 3.397 2.975 3.837 0.017 12 0 "[ . 1 . 2]" 1
298 1 30 LEU QD 1 31 ARG HA 4.220 . 4.350 3.301 2.555 4.120 . 0 0 "[ . 1 . 2]" 1
299 1 31 ARG H 1 31 ARG QD 4.420 . 4.550 4.037 3.464 4.601 0.051 12 0 "[ . 1 . 2]" 1
300 1 31 ARG H 1 31 ARG QG 3.280 . 3.380 2.762 2.582 2.900 . 0 0 "[ . 1 . 2]" 1
301 1 31 ARG HA 1 31 ARG QD 4.550 . 4.690 4.384 4.211 4.513 . 0 0 "[ . 1 . 2]" 1
302 1 31 ARG HA 1 31 ARG QG 3.350 . 3.450 3.285 3.252 3.312 . 0 0 "[ . 1 . 2]" 1
303 1 28 GLU HA 1 32 SER H 4.020 . 4.140 4.111 3.832 4.245 0.105 8 0 "[ . 1 . 2]" 1
304 1 30 LEU H 1 32 SER H 3.970 . 4.090 3.959 3.800 4.099 0.009 8 0 "[ . 1 . 2]" 1
305 1 30 LEU HB3 1 32 SER H 5.270 . 5.430 4.835 4.664 4.964 . 0 0 "[ . 1 . 2]" 1
306 1 31 ARG H 1 32 SER H 3.050 . 3.140 2.645 2.552 2.714 . 0 0 "[ . 1 . 2]" 1
307 1 31 ARG HD2 1 32 SER H 5.050 . 5.200 4.889 4.600 5.150 . 0 0 "[ . 1 . 2]" 1
308 1 31 ARG HE 1 32 SER H 5.210 . 5.370 4.930 4.461 5.335 . 0 0 "[ . 1 . 2]" 1
309 1 31 ARG QD 1 32 SER H 4.410 . 4.540 4.250 4.083 4.409 . 0 0 "[ . 1 . 2]" 1
310 1 31 ARG QG 1 32 SER H 3.290 . 3.390 2.257 2.088 2.364 . 0 0 "[ . 1 . 2]" 1
311 1 31 ARG QG 1 32 SER HA 4.000 . 4.120 2.949 2.836 3.093 . 0 0 "[ . 1 . 2]" 1
312 1 32 SER H 1 32 SER HA 2.840 . 2.930 2.811 2.796 2.827 . 0 0 "[ . 1 . 2]" 1
313 1 32 SER H 1 32 SER QB 2.620 . 2.700 2.394 2.246 2.499 . 0 0 "[ . 1 . 2]" 1
314 1 32 SER HA 1 32 SER QB 2.600 . 2.680 2.373 2.359 2.409 . 0 0 "[ . 1 . 2]" 1
315 1 25 THR MG 1 33 HIS QB 4.970 . 5.120 4.745 4.383 4.981 . 0 0 "[ . 1 . 2]" 1
316 1 30 LEU H 1 33 HIS H 4.740 . 4.880 4.867 4.702 4.945 0.065 16 0 "[ . 1 . 2]" 1
317 1 30 LEU H 1 33 HIS QB 5.220 . 5.380 5.318 4.952 5.431 0.051 5 0 "[ . 1 . 2]" 1
318 1 30 LEU QD 1 33 HIS QB 4.040 . 4.160 3.654 3.077 4.185 0.025 6 0 "[ . 1 . 2]" 1
319 1 31 ARG H 1 33 HIS H 4.160 . 4.280 4.209 4.055 4.311 0.031 17 0 "[ . 1 . 2]" 1
320 1 31 ARG HA 1 33 HIS H 4.990 . 5.140 4.176 3.786 4.439 . 0 0 "[ . 1 . 2]" 1
321 1 31 ARG HA 1 33 HIS QB 5.500 . 5.660 5.212 4.849 5.493 . 0 0 "[ . 1 . 2]" 1
322 1 32 SER H 1 33 HIS H 3.060 . 3.150 2.677 2.621 2.740 . 0 0 "[ . 1 . 2]" 1
323 1 32 SER H 1 33 HIS QB 5.330 . 5.490 4.624 4.489 4.730 . 0 0 "[ . 1 . 2]" 1
324 1 32 SER HA 1 33 HIS HA 4.940 . 5.090 4.644 4.585 4.723 . 0 0 "[ . 1 . 2]" 1
325 1 32 SER QB 1 33 HIS H 2.990 . 3.080 2.764 2.605 2.960 . 0 0 "[ . 1 . 2]" 1
326 1 16 LEU QD 1 34 PHE QD 4.050 . 4.170 2.843 2.555 3.206 . 0 0 "[ . 1 . 2]" 1
327 1 16 LEU QD 1 34 PHE QE 3.530 . 3.640 2.457 2.129 2.713 . 0 0 "[ . 1 . 2]" 1
328 1 18 ILE HB 1 34 PHE HZ 5.500 . 5.660 4.710 4.588 4.958 . 0 0 "[ . 1 . 2]" 1
329 1 18 ILE HB 1 34 PHE QE 5.450 . 5.610 4.613 4.255 4.976 . 0 0 "[ . 1 . 2]" 1
330 1 18 ILE HG12 1 34 PHE HZ 5.500 . 5.660 4.656 4.425 4.964 . 0 0 "[ . 1 . 2]" 1
331 1 18 ILE HG12 1 34 PHE QD 5.500 . 5.660 5.367 5.239 5.580 . 0 0 "[ . 1 . 2]" 1
332 1 18 ILE HG12 1 34 PHE QE 5.110 . 5.260 4.563 4.422 4.766 . 0 0 "[ . 1 . 2]" 1
333 1 18 ILE HG13 1 34 PHE HZ 5.040 . 5.190 3.302 2.955 3.639 . 0 0 "[ . 1 . 2]" 1
334 1 18 ILE HG13 1 34 PHE QD 5.280 . 5.440 4.125 3.898 4.411 . 0 0 "[ . 1 . 2]" 1
335 1 18 ILE HG13 1 34 PHE QE 4.610 . 4.750 3.267 2.975 3.621 . 0 0 "[ . 1 . 2]" 1
336 1 18 ILE MD 1 34 PHE HZ 2.850 . 2.940 2.207 2.021 2.390 . 0 0 "[ . 1 . 2]" 1
337 1 18 ILE MD 1 34 PHE QD 3.800 . 3.910 3.626 3.395 3.916 0.006 14 0 "[ . 1 . 2]" 1
338 1 18 ILE MD 1 34 PHE QE 3.100 . 3.190 2.447 2.286 2.626 . 0 0 "[ . 1 . 2]" 1
339 1 18 ILE MG 1 34 PHE HZ 3.110 . 3.200 2.232 2.104 2.362 . 0 0 "[ . 1 . 2]" 1
340 1 18 ILE MG 1 34 PHE QD 4.490 . 4.620 4.239 3.949 4.494 . 0 0 "[ . 1 . 2]" 1
341 1 18 ILE MG 1 34 PHE QE 3.010 . 3.100 2.507 2.156 2.787 . 0 0 "[ . 1 . 2]" 1
342 1 21 LEU MD2 1 34 PHE QE 4.550 . 4.690 4.078 3.876 4.505 . 0 0 "[ . 1 . 2]" 1
343 1 30 LEU HB3 1 34 PHE QD 5.380 . 5.540 4.780 4.549 5.045 . 0 0 "[ . 1 . 2]" 1
344 1 30 LEU MD1 1 34 PHE QE 4.170 . 4.300 2.953 1.916 4.318 0.018 5 0 "[ . 1 . 2]" 1
345 1 30 LEU MD2 1 34 PHE QE 4.170 . 4.300 3.007 2.010 4.334 0.034 18 0 "[ . 1 . 2]" 1
346 1 30 LEU QD 1 34 PHE HZ 3.860 . 3.980 3.693 3.503 3.911 . 0 0 "[ . 1 . 2]" 1
347 1 30 LEU QD 1 34 PHE QD 2.790 . 2.870 2.354 2.022 2.771 . 0 0 "[ . 1 . 2]" 1
348 1 30 LEU QD 1 34 PHE QE 2.700 . 2.780 2.199 1.912 2.779 . 0 0 "[ . 1 . 2]" 1
349 1 31 ARG HA 1 34 PHE H 3.680 . 3.790 3.254 2.957 3.395 . 0 0 "[ . 1 . 2]" 1
350 1 31 ARG QG 1 34 PHE H 4.810 . 4.950 4.789 4.640 4.971 0.021 11 0 "[ . 1 . 2]" 1
351 1 33 HIS H 1 34 PHE H 2.720 . 2.800 2.457 2.305 2.577 . 0 0 "[ . 1 . 2]" 1
352 1 33 HIS H 1 34 PHE HA 5.140 . 5.290 5.066 4.936 5.178 . 0 0 "[ . 1 . 2]" 1
353 1 33 HIS H 1 34 PHE QD 4.190 . 4.320 3.941 3.634 4.338 0.018 2 0 "[ . 1 . 2]" 1
354 1 33 HIS HA 1 34 PHE H 3.520 . 3.630 3.435 3.321 3.573 . 0 0 "[ . 1 . 2]" 1
355 1 33 HIS HA 1 34 PHE QD 5.420 . 5.580 5.110 4.754 5.490 . 0 0 "[ . 1 . 2]" 1
356 1 33 HIS QB 1 34 PHE QD 4.310 . 4.440 3.057 2.700 3.444 . 0 0 "[ . 1 . 2]" 1
357 1 34 PHE H 1 34 PHE HB3 3.640 . 3.750 3.608 3.548 3.665 . 0 0 "[ . 1 . 2]" 1
358 1 34 PHE H 1 34 PHE QD 3.050 . 3.140 2.870 2.387 3.147 0.007 20 0 "[ . 1 . 2]" 1
359 1 34 PHE H 1 34 PHE QE 5.230 . 5.390 5.026 4.670 5.236 . 0 0 "[ . 1 . 2]" 1
360 1 34 PHE HA 1 34 PHE QD 3.150 . 3.240 2.939 2.778 3.053 . 0 0 "[ . 1 . 2]" 1
361 1 34 PHE HA 1 34 PHE QE 4.670 . 4.810 4.478 4.413 4.539 . 0 0 "[ . 1 . 2]" 1
362 1 31 ARG HA 1 35 GLU H 4.180 . 4.310 3.805 3.576 4.057 . 0 0 "[ . 1 . 2]" 1
363 1 31 ARG HA 1 35 GLU HA 5.500 . 5.660 5.477 5.323 5.643 . 0 0 "[ . 1 . 2]" 1
364 1 31 ARG HA 1 35 GLU HG3 4.490 . 4.620 3.332 3.025 3.776 . 0 0 "[ . 1 . 2]" 1
365 1 31 ARG QG 1 35 GLU H 4.690 . 4.830 4.435 4.310 4.675 . 0 0 "[ . 1 . 2]" 1
366 1 31 ARG QG 1 35 GLU HA 5.500 . 5.660 5.733 5.552 5.837 0.177 11 0 "[ . 1 . 2]" 1
367 1 31 ARG QG 1 35 GLU HG3 4.190 . 4.320 2.936 2.609 3.107 . 0 0 "[ . 1 . 2]" 1
368 1 31 ARG QG 1 35 GLU QB 4.490 . 4.620 3.807 3.594 4.265 . 0 0 "[ . 1 . 2]" 1
369 1 32 SER H 1 35 GLU H 4.850 . 5.000 4.658 4.542 4.742 . 0 0 "[ . 1 . 2]" 1
370 1 32 SER HA 1 35 GLU H 3.830 . 3.940 3.548 3.303 3.722 . 0 0 "[ . 1 . 2]" 1
371 1 32 SER HA 1 35 GLU HA 5.500 . 5.660 5.612 5.179 5.752 0.092 1 0 "[ . 1 . 2]" 1
372 1 32 SER HA 1 35 GLU HG3 4.120 . 4.240 3.724 3.002 4.048 . 0 0 "[ . 1 . 2]" 1
373 1 32 SER HA 1 35 GLU QB 4.160 . 4.280 2.860 2.486 3.025 . 0 0 "[ . 1 . 2]" 1
374 1 32 SER QB 1 35 GLU HG3 5.410 . 5.570 5.482 4.916 5.630 0.060 8 0 "[ . 1 . 2]" 1
375 1 33 HIS H 1 35 GLU H 3.910 . 4.030 3.926 3.736 4.034 0.004 8 0 "[ . 1 . 2]" 1
376 1 33 HIS H 1 35 GLU HG3 5.500 . 5.660 5.343 5.102 5.617 . 0 0 "[ . 1 . 2]" 1
377 1 33 HIS HA 1 35 GLU H 4.610 . 4.750 4.293 4.125 4.530 . 0 0 "[ . 1 . 2]" 1
378 1 34 PHE H 1 35 GLU H 3.130 . 3.220 2.218 2.019 2.531 . 0 0 "[ . 1 . 2]" 1
379 1 34 PHE H 1 35 GLU HA 5.040 . 5.190 4.861 4.701 5.109 . 0 0 "[ . 1 . 2]" 1
380 1 34 PHE H 1 35 GLU HG3 5.450 . 5.610 4.139 3.910 4.426 . 0 0 "[ . 1 . 2]" 1
381 1 34 PHE H 1 35 GLU QB 5.440 . 5.600 4.237 3.991 4.560 . 0 0 "[ . 1 . 2]" 1
382 1 34 PHE HB3 1 35 GLU H 4.040 . 4.160 3.873 3.777 3.974 . 0 0 "[ . 1 . 2]" 1
383 1 34 PHE HB3 1 35 GLU HA 5.230 . 5.390 4.393 4.266 4.477 . 0 0 "[ . 1 . 2]" 1
384 1 34 PHE QD 1 35 GLU H 4.820 . 4.960 4.651 4.588 4.711 . 0 0 "[ . 1 . 2]" 1
385 1 35 GLU H 1 35 GLU HG3 3.710 . 3.820 2.646 2.517 2.881 . 0 0 "[ . 1 . 2]" 1
386 1 35 GLU H 1 35 GLU QB 3.030 . 3.120 2.349 2.241 2.425 . 0 0 "[ . 1 . 2]" 1
387 1 35 GLU HA 1 35 GLU HG3 3.550 . 3.660 3.061 2.965 3.178 . 0 0 "[ . 1 . 2]" 1
388 1 33 HIS H 1 36 GLN HE21 5.380 . 5.540 5.098 4.612 5.567 0.027 16 0 "[ . 1 . 2]" 1
389 1 33 HIS H 1 36 GLN HE22 5.500 . 5.660 5.690 5.598 5.737 0.077 8 0 "[ . 1 . 2]" 1
390 1 33 HIS HA 1 36 GLN H 4.860 . 5.010 4.559 4.282 4.949 . 0 0 "[ . 1 . 2]" 1
391 1 33 HIS HA 1 36 GLN HE21 3.280 . 3.380 2.517 1.956 3.099 . 0 0 "[ . 1 . 2]" 1
392 1 33 HIS HA 1 36 GLN HE22 3.110 . 3.200 2.858 2.745 2.920 . 0 0 "[ . 1 . 2]" 1
393 1 33 HIS HA 1 36 GLN HG3 4.520 . 4.660 3.423 2.806 4.011 . 0 0 "[ . 1 . 2]" 1
394 1 33 HIS QB 1 36 GLN HE21 5.500 . 5.660 3.594 3.027 4.035 . 0 0 "[ . 1 . 2]" 1
395 1 34 PHE H 1 36 GLN H 4.490 . 4.620 4.019 3.769 4.276 . 0 0 "[ . 1 . 2]" 1
396 1 34 PHE H 1 36 GLN HE21 4.600 . 4.740 4.512 4.068 4.804 0.064 17 0 "[ . 1 . 2]" 1
397 1 34 PHE HA 1 36 GLN H 3.800 . 3.910 3.143 3.095 3.212 . 0 0 "[ . 1 . 2]" 1
398 1 34 PHE HA 1 36 GLN HE22 5.300 . 5.460 5.317 5.037 5.532 0.072 2 0 "[ . 1 . 2]" 1
399 1 34 PHE QD 1 36 GLN H 5.490 . 5.650 5.358 5.268 5.409 . 0 0 "[ . 1 . 2]" 1
400 1 35 GLU H 1 36 GLN H 3.200 . 3.300 2.732 2.627 2.899 . 0 0 "[ . 1 . 2]" 1
401 1 35 GLU H 1 36 GLN HA 4.910 . 5.060 5.020 4.948 5.074 0.014 12 0 "[ . 1 . 2]" 1
402 1 35 GLU H 1 36 GLN HG3 4.750 . 4.890 4.069 3.819 4.340 . 0 0 "[ . 1 . 2]" 1
403 1 35 GLU HA 1 36 GLN HA 4.990 . 5.140 4.654 4.597 4.734 . 0 0 "[ . 1 . 2]" 1
404 1 35 GLU HA 1 36 GLN HG3 5.500 . 5.660 5.329 5.140 5.553 . 0 0 "[ . 1 . 2]" 1
405 1 35 GLU HG3 1 36 GLN H 5.500 . 5.660 4.934 4.815 5.084 . 0 0 "[ . 1 . 2]" 1
406 1 35 GLU QB 1 36 GLN H 4.390 . 4.520 3.543 3.389 3.656 . 0 0 "[ . 1 . 2]" 1
407 1 36 GLN H 1 36 GLN HB2 3.530 . 3.640 2.294 2.205 2.365 . 0 0 "[ . 1 . 2]" 1
408 1 36 GLN H 1 36 GLN HE21 4.310 . 4.440 3.468 3.161 3.674 . 0 0 "[ . 1 . 2]" 1
409 1 36 GLN H 1 36 GLN HG3 3.350 . 3.450 2.804 2.466 3.046 . 0 0 "[ . 1 . 2]" 1
410 1 36 GLN HA 1 36 GLN HB2 2.970 . 3.060 3.002 2.981 3.013 . 0 0 "[ . 1 . 2]" 1
411 1 36 GLN HA 1 36 GLN HE21 4.620 . 4.760 4.608 4.387 4.867 0.107 15 0 "[ . 1 . 2]" 1
412 1 36 GLN HA 1 36 GLN HG3 3.010 . 3.100 2.767 2.574 2.964 . 0 0 "[ . 1 . 2]" 1
413 1 36 GLN HB2 1 36 GLN HE21 4.160 . 4.280 2.186 1.694 2.792 0.106 12 0 "[ . 1 . 2]" 1
414 1 36 GLN HB2 1 36 GLN HE22 4.490 . 4.620 3.530 3.300 3.802 . 0 0 "[ . 1 . 2]" 1
415 1 33 HIS HA 1 37 TRP HZ3 5.280 . 5.440 4.082 3.916 4.339 . 0 0 "[ . 1 . 2]" 1
416 1 34 PHE H 1 37 TRP HZ3 5.140 . 5.290 4.751 4.376 4.904 . 0 0 "[ . 1 . 2]" 1
417 1 34 PHE HA 1 37 TRP HE3 3.030 . 3.120 2.618 2.373 2.768 . 0 0 "[ . 1 . 2]" 1
418 1 34 PHE HA 1 37 TRP HZ3 3.630 . 3.740 2.861 2.524 3.068 . 0 0 "[ . 1 . 2]" 1
419 1 34 PHE HB3 1 37 TRP HE3 5.190 . 5.350 4.564 4.361 4.757 . 0 0 "[ . 1 . 2]" 1
420 1 34 PHE QD 1 37 TRP HZ3 5.010 . 5.160 4.655 4.328 4.863 . 0 0 "[ . 1 . 2]" 1
421 1 35 GLU H 1 37 TRP HE3 5.140 . 5.290 5.041 4.785 5.224 . 0 0 "[ . 1 . 2]" 1
422 1 35 GLU H 1 37 TRP HZ3 5.320 . 5.480 5.347 5.019 5.493 0.013 17 0 "[ . 1 . 2]" 1
423 1 35 GLU HA 1 37 TRP HE3 5.500 . 5.660 5.308 5.053 5.628 . 0 0 "[ . 1 . 2]" 1
424 1 36 GLN H 1 37 TRP HE3 3.210 . 3.310 3.070 2.890 3.277 . 0 0 "[ . 1 . 2]" 1
425 1 36 GLN H 1 37 TRP HZ3 4.330 . 4.460 3.962 3.706 4.160 . 0 0 "[ . 1 . 2]" 1
426 1 36 GLN HA 1 37 TRP HE3 5.230 . 5.390 4.960 4.882 5.051 . 0 0 "[ . 1 . 2]" 1
427 1 36 GLN HB2 1 37 TRP HE3 3.970 . 4.090 2.724 2.545 2.866 . 0 0 "[ . 1 . 2]" 1
428 1 36 GLN HB2 1 37 TRP HH2 5.070 . 5.220 4.043 3.864 4.201 . 0 0 "[ . 1 . 2]" 1
429 1 36 GLN HB2 1 37 TRP HZ2 4.960 . 5.110 4.916 4.660 5.159 0.049 18 0 "[ . 1 . 2]" 1
430 1 36 GLN HB2 1 37 TRP HZ3 5.030 . 5.180 2.852 2.761 2.966 . 0 0 "[ . 1 . 2]" 1
431 1 36 GLN HE21 1 37 TRP HE3 5.030 . 5.180 3.859 3.421 4.382 . 0 0 "[ . 1 . 2]" 1
432 1 36 GLN HE21 1 37 TRP HH2 4.050 . 4.170 3.397 3.028 3.931 . 0 0 "[ . 1 . 2]" 1
433 1 36 GLN HE21 1 37 TRP HZ3 4.050 . 4.170 2.386 1.995 2.753 . 0 0 "[ . 1 . 2]" 1
434 1 36 GLN HE22 1 37 TRP HE3 5.360 . 5.520 5.193 4.982 5.498 . 0 0 "[ . 1 . 2]" 1
435 1 36 GLN HE22 1 37 TRP HH2 3.490 . 3.590 3.058 2.859 3.245 . 0 0 "[ . 1 . 2]" 1
436 1 36 GLN HE22 1 37 TRP HZ2 5.270 . 5.430 4.985 4.831 5.259 . 0 0 "[ . 1 . 2]" 1
437 1 36 GLN HE22 1 37 TRP HZ3 3.920 . 4.040 3.219 2.980 3.514 . 0 0 "[ . 1 . 2]" 1
438 1 36 GLN HG3 1 37 TRP HE3 5.350 . 5.510 4.923 4.574 5.268 . 0 0 "[ . 1 . 2]" 1
439 1 35 GLU H 1 38 GLY H 5.500 . 5.660 5.389 5.161 5.584 . 0 0 "[ . 1 . 2]" 1
440 1 35 GLU HA 1 38 GLY H 3.600 . 3.710 3.265 3.061 3.421 . 0 0 "[ . 1 . 2]" 1
441 1 36 GLN H 1 38 GLY H 3.630 . 3.740 3.645 3.471 3.746 0.006 16 0 "[ . 1 . 2]" 1
442 1 36 GLN HA 1 38 GLY H 4.030 . 4.150 3.899 3.804 4.076 . 0 0 "[ . 1 . 2]" 1
443 1 36 GLN HB2 1 38 GLY H 4.930 . 5.080 4.876 4.682 5.009 . 0 0 "[ . 1 . 2]" 1
444 1 37 TRP H 1 38 GLY QA 5.040 . 5.190 4.170 4.076 4.268 . 0 0 "[ . 1 . 2]" 1
445 1 37 TRP HA 1 38 GLY H 3.380 . 3.480 3.136 3.076 3.246 . 0 0 "[ . 1 . 2]" 1
446 1 37 TRP HA 1 38 GLY QA 4.740 . 4.880 4.065 4.024 4.102 . 0 0 "[ . 1 . 2]" 1
447 1 37 TRP HB3 1 38 GLY H 4.540 . 4.680 4.380 4.310 4.421 . 0 0 "[ . 1 . 2]" 1
448 1 37 TRP HE3 1 38 GLY H 4.510 . 4.650 4.572 4.355 4.698 0.048 12 0 "[ . 1 . 2]" 1
449 1 35 GLU HA 1 39 THR H 5.070 . 5.220 4.978 4.783 5.126 . 0 0 "[ . 1 . 2]" 1
450 1 35 GLU HA 1 39 THR HA 4.980 . 5.130 3.568 3.340 3.767 . 0 0 "[ . 1 . 2]" 1
451 1 35 GLU QB 1 39 THR MG 5.500 . 5.660 4.975 4.704 5.408 . 0 0 "[ . 1 . 2]" 1
452 1 38 GLY H 1 39 THR H 4.400 . 4.530 4.388 4.364 4.406 . 0 0 "[ . 1 . 2]" 1
453 1 38 GLY H 1 39 THR HA 4.700 . 4.840 4.740 4.673 4.815 . 0 0 "[ . 1 . 2]" 1
454 1 38 GLY QA 1 39 THR H 2.780 . 2.860 2.243 2.203 2.267 . 0 0 "[ . 1 . 2]" 1
455 1 38 GLY QA 1 39 THR HA 4.820 . 4.960 3.944 3.932 3.961 . 0 0 "[ . 1 . 2]" 1
456 1 38 GLY QA 1 39 THR HB 4.950 . 5.100 4.254 4.166 4.381 . 0 0 "[ . 1 . 2]" 1
457 1 39 THR H 1 39 THR HB 2.630 . 2.710 2.449 2.361 2.524 . 0 0 "[ . 1 . 2]" 1
458 1 39 THR H 1 39 THR MG 3.720 . 3.830 3.755 3.718 3.792 . 0 0 "[ . 1 . 2]" 1
459 1 39 THR HA 1 39 THR MG 2.830 . 2.910 2.475 2.389 2.530 . 0 0 "[ . 1 . 2]" 1
460 1 31 ARG HA 1 40 LEU QD 2.780 . 2.860 1.963 1.760 2.687 0.040 12 0 "[ . 1 . 2]" 1
461 1 31 ARG QD 1 40 LEU QD 4.640 . 4.780 3.946 3.468 4.340 . 0 0 "[ . 1 . 2]" 1
462 1 31 ARG QG 1 40 LEU H 5.500 . 5.660 5.758 5.692 5.811 0.151 1 0 "[ . 1 . 2]" 1
463 1 31 ARG QG 1 40 LEU QD 3.520 . 3.630 3.345 3.159 3.476 . 0 0 "[ . 1 . 2]" 1
464 1 32 SER H 1 40 LEU QD 4.510 . 4.650 4.430 4.313 4.644 . 0 0 "[ . 1 . 2]" 1
465 1 32 SER HA 1 40 LEU QD 4.840 . 4.990 4.598 4.241 4.831 . 0 0 "[ . 1 . 2]" 1
466 1 34 PHE H 1 40 LEU MD1 4.940 . 5.090 3.745 3.153 5.150 0.060 5 0 "[ . 1 . 2]" 1
467 1 34 PHE H 1 40 LEU MD2 4.940 . 5.090 4.358 3.351 4.961 . 0 0 "[ . 1 . 2]" 1
468 1 34 PHE H 1 40 LEU QD 3.530 . 3.640 3.262 3.120 3.481 . 0 0 "[ . 1 . 2]" 1
469 1 34 PHE HA 1 40 LEU MD1 4.610 . 4.750 4.132 3.882 4.721 . 0 0 "[ . 1 . 2]" 1
470 1 34 PHE HA 1 40 LEU MD2 4.610 . 4.750 4.302 3.908 4.535 . 0 0 "[ . 1 . 2]" 1
471 1 34 PHE HA 1 40 LEU QD 3.970 . 4.090 3.724 3.620 3.834 . 0 0 "[ . 1 . 2]" 1
472 1 34 PHE HB3 1 40 LEU HG 5.280 . 5.440 3.835 3.485 4.233 . 0 0 "[ . 1 . 2]" 1
473 1 34 PHE HB3 1 40 LEU MD1 3.840 . 3.960 2.364 2.196 2.503 . 0 0 "[ . 1 . 2]" 1
474 1 34 PHE HB3 1 40 LEU MD2 3.840 . 3.960 2.314 2.132 2.741 . 0 0 "[ . 1 . 2]" 1
475 1 34 PHE HB3 1 40 LEU QD 3.250 . 3.350 2.078 1.952 2.269 . 0 0 "[ . 1 . 2]" 1
476 1 34 PHE QD 1 40 LEU MD1 4.220 . 4.350 3.745 3.567 4.134 . 0 0 "[ . 1 . 2]" 1
477 1 34 PHE QD 1 40 LEU MD2 4.220 . 4.350 3.787 3.562 4.303 . 0 0 "[ . 1 . 2]" 1
478 1 34 PHE QD 1 40 LEU QD 3.470 . 3.570 3.338 3.209 3.553 . 0 0 "[ . 1 . 2]" 1
479 1 35 GLU H 1 40 LEU QD 3.180 . 3.280 2.898 2.704 3.131 . 0 0 "[ . 1 . 2]" 1
480 1 35 GLU HA 1 40 LEU H 3.660 . 3.770 3.678 3.528 3.849 0.079 16 0 "[ . 1 . 2]" 1
481 1 35 GLU HA 1 40 LEU MD1 3.720 . 3.830 3.241 1.841 3.844 0.014 15 0 "[ . 1 . 2]" 1
482 1 35 GLU HA 1 40 LEU MD2 3.720 . 3.830 3.389 2.184 3.844 0.014 11 0 "[ . 1 . 2]" 1
483 1 35 GLU HA 1 40 LEU QD 3.260 . 3.360 2.743 1.835 3.266 . 0 0 "[ . 1 . 2]" 1
484 1 35 GLU HG3 1 40 LEU H 4.320 . 4.450 3.734 3.421 4.237 . 0 0 "[ . 1 . 2]" 1
485 1 35 GLU HG3 1 40 LEU HB3 5.500 . 5.660 4.764 4.289 5.595 . 0 0 "[ . 1 . 2]" 1
486 1 35 GLU HG3 1 40 LEU HG 4.720 . 4.860 3.316 2.170 4.617 . 0 0 "[ . 1 . 2]" 1
487 1 35 GLU HG3 1 40 LEU MD1 4.540 . 4.680 2.496 1.796 4.558 0.004 18 0 "[ . 1 . 2]" 1
488 1 35 GLU HG3 1 40 LEU MD2 4.540 . 4.680 3.332 1.788 4.411 0.012 5 0 "[ . 1 . 2]" 1
489 1 35 GLU HG3 1 40 LEU QD 3.600 . 3.710 1.991 1.787 2.550 0.013 5 0 "[ . 1 . 2]" 1
490 1 35 GLU QB 1 40 LEU HG 5.500 . 5.660 4.568 3.661 5.818 0.158 5 0 "[ . 1 . 2]" 1
491 1 35 GLU QB 1 40 LEU MD1 4.830 . 4.970 3.837 3.151 5.102 0.132 17 0 "[ . 1 . 2]" 1
492 1 35 GLU QB 1 40 LEU MD2 4.830 . 4.970 4.352 3.184 5.036 0.066 6 0 "[ . 1 . 2]" 1
493 1 35 GLU QB 1 40 LEU QD 3.630 . 3.740 3.419 2.989 3.766 0.026 15 0 "[ . 1 . 2]" 1
494 1 36 GLN H 1 40 LEU MD1 5.200 . 5.360 4.764 3.953 5.433 0.073 17 0 "[ . 1 . 2]" 1
495 1 36 GLN H 1 40 LEU MD2 5.200 . 5.360 5.029 4.138 5.421 0.061 10 0 "[ . 1 . 2]" 1
496 1 38 GLY H 1 40 LEU QD 5.120 . 5.270 4.550 3.898 5.080 . 0 0 "[ . 1 . 2]" 1
497 1 39 THR H 1 40 LEU QD 4.750 . 4.890 4.145 3.757 4.624 . 0 0 "[ . 1 . 2]" 1
498 1 39 THR HA 1 40 LEU H 2.400 . 2.470 2.203 2.147 2.239 . 0 0 "[ . 1 . 2]" 1
499 1 39 THR HA 1 40 LEU HA 4.900 . 5.050 4.398 4.374 4.429 . 0 0 "[ . 1 . 2]" 1
500 1 39 THR HA 1 40 LEU QD 4.080 . 4.200 3.680 2.952 4.200 . 0 0 "[ . 1 . 2]" 1
501 1 39 THR HB 1 40 LEU QD 5.440 . 5.600 5.048 4.573 5.445 . 0 0 "[ . 1 . 2]" 1
502 1 39 THR MG 1 40 LEU H 2.750 . 2.830 2.845 2.773 2.891 0.061 19 0 "[ . 1 . 2]" 1
503 1 39 THR MG 1 40 LEU QD 4.690 . 4.830 4.230 3.735 4.506 . 0 0 "[ . 1 . 2]" 1
504 1 40 LEU H 1 40 LEU HB3 3.830 . 3.940 3.667 3.624 3.697 . 0 0 "[ . 1 . 2]" 1
505 1 40 LEU H 1 40 LEU HG 3.980 . 4.100 2.952 2.235 4.122 0.022 17 0 "[ . 1 . 2]" 1
506 1 40 LEU H 1 40 LEU MD1 3.700 . 3.810 3.274 2.278 3.911 0.101 15 0 "[ . 1 . 2]" 1
507 1 40 LEU H 1 40 LEU MD2 3.700 . 3.810 3.156 1.923 3.820 0.010 19 0 "[ . 1 . 2]" 1
508 1 40 LEU H 1 40 LEU QD 3.160 . 3.250 2.697 1.896 3.149 . 0 0 "[ . 1 . 2]" 1
509 1 40 LEU HA 1 40 LEU HG 3.840 . 3.960 3.168 2.681 3.646 . 0 0 "[ . 1 . 2]" 1
510 1 40 LEU HA 1 40 LEU MD1 4.070 . 4.190 3.311 1.994 3.928 . 0 0 "[ . 1 . 2]" 1
511 1 40 LEU HA 1 40 LEU MD2 4.070 . 4.190 2.718 2.172 3.887 . 0 0 "[ . 1 . 2]" 1
512 1 40 LEU HA 1 40 LEU QD 2.930 . 3.020 2.218 1.980 2.473 . 0 0 "[ . 1 . 2]" 1
513 1 40 LEU HB3 1 40 LEU MD1 3.160 . 3.250 2.572 2.216 3.201 . 0 0 "[ . 1 . 2]" 1
514 1 40 LEU HB3 1 40 LEU MD2 3.160 . 3.250 2.454 2.230 3.124 . 0 0 "[ . 1 . 2]" 1
515 1 40 LEU HB3 1 40 LEU QD 2.540 . 2.620 2.191 2.058 2.504 . 0 0 "[ . 1 . 2]" 1
516 1 39 THR H 1 41 THR MG 5.400 . 5.560 5.285 5.030 5.491 . 0 0 "[ . 1 . 2]" 1
517 1 39 THR HB 1 41 THR MG 4.560 . 4.700 3.924 3.594 4.116 . 0 0 "[ . 1 . 2]" 1
518 1 39 THR MG 1 41 THR H 3.590 . 3.700 3.636 3.334 3.731 0.031 16 0 "[ . 1 . 2]" 1
519 1 39 THR MG 1 41 THR HB 4.800 . 4.940 4.901 4.575 5.020 0.080 4 0 "[ . 1 . 2]" 1
520 1 39 THR MG 1 41 THR MG 2.610 . 2.690 2.636 2.291 2.721 0.031 9 0 "[ . 1 . 2]" 1
521 1 40 LEU H 1 41 THR H 4.480 . 4.610 4.285 4.155 4.363 . 0 0 "[ . 1 . 2]" 1
522 1 40 LEU H 1 41 THR MG 5.000 . 5.150 4.862 4.701 4.992 . 0 0 "[ . 1 . 2]" 1
523 1 40 LEU HA 1 41 THR H 2.850 . 2.940 2.112 2.073 2.146 . 0 0 "[ . 1 . 2]" 1
524 1 40 LEU HA 1 41 THR HA 4.670 . 4.810 4.400 4.370 4.433 . 0 0 "[ . 1 . 2]" 1
525 1 40 LEU HA 1 41 THR MG 4.360 . 4.490 3.806 3.695 3.936 . 0 0 "[ . 1 . 2]" 1
526 1 40 LEU HB3 1 41 THR H 3.910 . 4.030 3.626 3.471 3.781 . 0 0 "[ . 1 . 2]" 1
527 1 40 LEU QD 1 41 THR MG 4.960 . 5.110 4.850 4.545 5.009 . 0 0 "[ . 1 . 2]" 1
528 1 41 THR H 1 41 THR HB 4.000 . 4.120 3.607 3.585 3.639 . 0 0 "[ . 1 . 2]" 1
529 1 41 THR H 1 41 THR MG 2.920 . 3.010 2.323 2.139 2.469 . 0 0 "[ . 1 . 2]" 1
530 1 41 THR HA 1 41 THR MG 2.680 . 2.760 2.346 2.309 2.393 . 0 0 "[ . 1 . 2]" 1
531 1 39 THR MG 1 42 ASP H 5.480 . 5.640 5.351 5.148 5.502 . 0 0 "[ . 1 . 2]" 1
532 1 40 LEU H 1 42 ASP H 5.500 . 5.660 5.534 5.430 5.687 0.027 12 0 "[ . 1 . 2]" 1
533 1 40 LEU HA 1 42 ASP H 3.700 . 3.810 3.328 3.228 3.417 . 0 0 "[ . 1 . 2]" 1
534 1 40 LEU HB3 1 42 ASP H 3.320 . 3.420 3.200 2.947 3.435 0.015 12 0 "[ . 1 . 2]" 1
535 1 40 LEU MD1 1 42 ASP H 5.400 . 5.560 4.978 4.143 5.258 . 0 0 "[ . 1 . 2]" 1
536 1 40 LEU MD2 1 42 ASP H 5.400 . 5.560 4.614 4.161 5.522 . 0 0 "[ . 1 . 2]" 1
537 1 40 LEU QD 1 42 ASP H 4.490 . 4.620 4.168 3.977 4.510 . 0 0 "[ . 1 . 2]" 1
538 1 41 THR H 1 42 ASP H 2.650 . 2.730 2.301 2.230 2.434 . 0 0 "[ . 1 . 2]" 1
539 1 41 THR H 1 42 ASP HA 5.310 . 5.470 5.003 4.940 5.095 . 0 0 "[ . 1 . 2]" 1
540 1 41 THR HA 1 42 ASP H 3.440 . 3.540 3.428 3.383 3.477 . 0 0 "[ . 1 . 2]" 1
541 1 41 THR HB 1 42 ASP H 4.300 . 4.430 3.949 3.837 4.095 . 0 0 "[ . 1 . 2]" 1
542 1 41 THR MG 1 42 ASP H 3.920 . 4.040 3.959 3.812 4.063 0.023 18 0 "[ . 1 . 2]" 1
543 1 42 ASP H 1 42 ASP HB3 3.770 . 3.880 3.006 2.717 3.877 . 0 0 "[ . 1 . 2]" 1
544 1 42 ASP HA 1 42 ASP HB3 2.990 . 3.080 2.931 2.466 3.031 . 0 0 "[ . 1 . 2]" 1
545 1 30 LEU QD 1 43 CYS HA 4.470 . 4.600 3.946 3.145 4.604 0.004 7 0 "[ . 1 . 2]" 1
546 1 31 ARG HA 1 43 CYS HA 5.500 . 5.660 5.505 5.182 5.747 0.087 7 0 "[ . 1 . 2]" 1
547 1 31 ARG HA 1 43 CYS HB2 4.930 . 5.080 3.684 3.297 4.138 . 0 0 "[ . 1 . 2]" 1
548 1 31 ARG QG 1 43 CYS HB2 5.100 . 5.250 4.637 4.185 5.166 . 0 0 "[ . 1 . 2]" 1
549 1 40 LEU H 1 43 CYS QB 5.340 . 5.500 5.379 5.057 5.632 0.132 19 0 "[ . 1 . 2]" 1
550 1 40 LEU HB3 1 43 CYS HA 4.310 . 4.440 3.938 3.639 4.424 . 0 0 "[ . 1 . 2]" 1
551 1 40 LEU HB3 1 43 CYS HB2 4.940 . 5.090 4.019 2.456 4.429 . 0 0 "[ . 1 . 2]" 1
552 1 40 LEU HB3 1 43 CYS QB 4.060 . 4.180 2.476 2.124 2.775 . 0 0 "[ . 1 . 2]" 1
553 1 40 LEU QD 1 43 CYS HA 5.440 . 5.600 3.793 3.402 4.777 . 0 0 "[ . 1 . 2]" 1
554 1 40 LEU QD 1 43 CYS QB 3.360 . 3.460 2.381 1.817 3.439 . 0 0 "[ . 1 . 2]" 1
555 1 42 ASP HA 1 43 CYS H 3.430 . 3.530 2.201 2.159 2.276 . 0 0 "[ . 1 . 2]" 1
556 1 42 ASP HA 1 43 CYS HA 4.980 . 5.130 4.393 4.353 4.511 . 0 0 "[ . 1 . 2]" 1
557 1 42 ASP HA 1 43 CYS QB 5.120 . 5.270 4.525 4.035 4.788 . 0 0 "[ . 1 . 2]" 1
558 1 42 ASP HB3 1 43 CYS HA 5.230 . 5.390 4.698 4.420 4.871 . 0 0 "[ . 1 . 2]" 1
559 1 15 LYS QE 1 44 VAL QG 5.280 . 5.440 4.579 3.173 5.357 . 0 0 "[ . 1 . 2]" 1
560 1 27 ASP HA 1 44 VAL H 5.330 . 5.490 4.895 4.541 5.307 . 0 0 "[ . 1 . 2]" 1
561 1 27 ASP HA 1 44 VAL HA 4.450 . 4.580 3.852 3.101 4.543 . 0 0 "[ . 1 . 2]" 1
562 1 27 ASP HB2 1 44 VAL HA 4.860 . 5.010 3.633 2.060 5.033 0.023 2 0 "[ . 1 . 2]" 1
563 1 27 ASP QB 1 44 VAL HA 4.090 . 4.210 3.056 2.038 3.695 . 0 0 "[ . 1 . 2]" 1
564 1 27 ASP QB 1 44 VAL HB 5.340 . 5.500 5.068 3.918 5.564 0.064 13 0 "[ . 1 . 2]" 1
565 1 27 ASP QB 1 44 VAL QG 4.680 . 4.820 3.917 3.033 4.497 . 0 0 "[ . 1 . 2]" 1
566 1 30 LEU QD 1 44 VAL H 4.000 . 4.120 3.287 2.483 4.123 0.003 10 0 "[ . 1 . 2]" 1
567 1 43 CYS H 1 44 VAL H 4.910 . 5.060 4.377 4.172 4.500 . 0 0 "[ . 1 . 2]" 1
568 1 43 CYS HA 1 44 VAL H 2.720 . 2.800 2.218 2.141 2.277 . 0 0 "[ . 1 . 2]" 1
569 1 43 CYS HA 1 44 VAL HA 4.530 . 4.670 4.456 4.403 4.503 . 0 0 "[ . 1 . 2]" 1
570 1 43 CYS HA 1 44 VAL HB 5.160 . 5.310 4.467 4.272 4.579 . 0 0 "[ . 1 . 2]" 1
571 1 43 CYS HA 1 44 VAL QG 3.810 . 3.920 3.500 3.425 3.624 . 0 0 "[ . 1 . 2]" 1
572 1 43 CYS HB2 1 44 VAL H 4.240 . 4.370 3.205 2.833 4.127 . 0 0 "[ . 1 . 2]" 1
573 1 43 CYS QB 1 44 VAL HA 5.000 . 5.150 4.231 4.082 4.581 . 0 0 "[ . 1 . 2]" 1
574 1 43 CYS QB 1 44 VAL QG 4.850 . 5.000 4.474 4.361 4.652 . 0 0 "[ . 1 . 2]" 1
575 1 44 VAL H 1 44 VAL HB 4.010 . 4.130 3.469 3.378 3.567 . 0 0 "[ . 1 . 2]" 1
576 1 44 VAL H 1 44 VAL MG1 4.070 . 4.190 2.571 2.404 2.698 . 0 0 "[ . 1 . 2]" 1
577 1 44 VAL H 1 44 VAL MG2 4.070 . 4.190 4.023 3.942 4.069 . 0 0 "[ . 1 . 2]" 1
578 1 44 VAL H 1 44 VAL QG 3.030 . 3.120 2.543 2.384 2.661 . 0 0 "[ . 1 . 2]" 1
579 1 44 VAL HA 1 44 VAL QG 2.720 . 2.800 2.304 2.227 2.358 . 0 0 "[ . 1 . 2]" 1
580 1 25 THR HA 1 45 VAL QG 5.310 . 5.470 4.447 3.963 4.795 . 0 0 "[ . 1 . 2]" 1
581 1 25 THR MG 1 45 VAL HA 5.440 . 5.600 5.353 4.663 5.674 0.074 17 0 "[ . 1 . 2]" 1
582 1 25 THR MG 1 45 VAL HB 4.730 . 4.870 4.490 4.082 4.903 0.033 7 0 "[ . 1 . 2]" 1
583 1 25 THR MG 1 45 VAL QG 3.090 . 3.180 2.509 1.978 2.806 . 0 0 "[ . 1 . 2]" 1
584 1 26 THR H 1 45 VAL QG 4.450 . 4.580 3.876 3.301 4.277 . 0 0 "[ . 1 . 2]" 1
585 1 26 THR HA 1 45 VAL HB 4.530 . 4.670 3.633 2.755 4.246 . 0 0 "[ . 1 . 2]" 1
586 1 26 THR HA 1 45 VAL QG 3.270 . 3.370 2.279 1.797 3.080 0.003 3 0 "[ . 1 . 2]" 1
587 1 26 THR MG 1 45 VAL QG 4.660 . 4.800 4.050 3.605 4.471 . 0 0 "[ . 1 . 2]" 1
588 1 27 ASP H 1 45 VAL H 5.110 . 5.260 4.324 3.569 4.711 . 0 0 "[ . 1 . 2]" 1
589 1 27 ASP H 1 45 VAL HB 4.550 . 4.690 4.037 2.963 4.789 0.099 6 0 "[ . 1 . 2]" 1
590 1 27 ASP H 1 45 VAL QG 3.160 . 3.250 2.638 2.040 3.230 . 0 0 "[ . 1 . 2]" 1
591 1 27 ASP HA 1 45 VAL H 4.460 . 4.590 3.517 2.835 4.074 . 0 0 "[ . 1 . 2]" 1
592 1 27 ASP HA 1 45 VAL QG 3.050 . 3.140 1.998 1.786 2.525 0.014 20 0 "[ . 1 . 2]" 1
593 1 27 ASP QB 1 45 VAL H 3.970 . 4.090 3.105 2.013 3.720 . 0 0 "[ . 1 . 2]" 1
594 1 27 ASP QB 1 45 VAL QG 3.540 . 3.650 2.883 1.921 3.665 0.015 19 0 "[ . 1 . 2]" 1
595 1 28 GLU H 1 45 VAL QG 4.630 . 4.770 4.379 4.015 4.834 0.064 14 0 "[ . 1 . 2]" 1
596 1 29 SER H 1 45 VAL QG 4.940 . 5.090 4.602 4.419 4.899 . 0 0 "[ . 1 . 2]" 1
597 1 30 LEU H 1 45 VAL QG 4.030 . 4.150 3.658 3.325 3.913 . 0 0 "[ . 1 . 2]" 1
598 1 30 LEU HB3 1 45 VAL QG 3.340 . 3.440 2.772 2.538 3.082 . 0 0 "[ . 1 . 2]" 1
599 1 30 LEU QD 1 45 VAL HA 5.280 . 5.440 3.891 2.738 4.793 . 0 0 "[ . 1 . 2]" 1
600 1 30 LEU QD 1 45 VAL QG 3.840 . 3.960 2.253 1.763 2.968 0.037 6 0 "[ . 1 . 2]" 1
601 1 31 ARG H 1 45 VAL QG 4.680 . 4.820 4.469 4.310 4.725 . 0 0 "[ . 1 . 2]" 1
602 1 44 VAL H 1 45 VAL H 4.590 . 4.730 4.174 3.980 4.293 . 0 0 "[ . 1 . 2]" 1
603 1 44 VAL H 1 45 VAL HA 5.260 . 5.420 4.619 4.511 4.737 . 0 0 "[ . 1 . 2]" 1
604 1 44 VAL HA 1 45 VAL H 2.570 . 2.650 2.192 2.115 2.275 . 0 0 "[ . 1 . 2]" 1
605 1 44 VAL HA 1 45 VAL HA 4.620 . 4.760 4.405 4.379 4.443 . 0 0 "[ . 1 . 2]" 1
606 1 44 VAL HA 1 45 VAL QG 3.610 . 3.720 3.474 3.245 3.747 0.027 10 0 "[ . 1 . 2]" 1
607 1 44 VAL HB 1 45 VAL H 4.240 . 4.370 4.105 4.026 4.235 . 0 0 "[ . 1 . 2]" 1
608 1 44 VAL MG1 1 45 VAL HA 5.160 . 5.310 3.885 3.445 4.173 . 0 0 "[ . 1 . 2]" 1
609 1 44 VAL MG2 1 45 VAL HA 5.160 . 5.310 3.677 3.534 3.858 . 0 0 "[ . 1 . 2]" 1
610 1 44 VAL QG 1 45 VAL H 2.850 . 2.940 2.426 2.172 2.813 . 0 0 "[ . 1 . 2]" 1
611 1 44 VAL QG 1 45 VAL HA 4.290 . 4.420 3.352 3.144 3.524 . 0 0 "[ . 1 . 2]" 1
612 1 44 VAL QG 1 45 VAL HB 5.440 . 5.600 4.509 4.049 4.834 . 0 0 "[ . 1 . 2]" 1
613 1 44 VAL QG 1 45 VAL QG 4.330 . 4.460 3.486 3.141 3.790 . 0 0 "[ . 1 . 2]" 1
614 1 45 VAL H 1 45 VAL HB 4.090 . 4.210 3.171 2.486 3.818 . 0 0 "[ . 1 . 2]" 1
615 1 45 VAL H 1 45 VAL MG1 3.950 . 4.070 3.281 2.496 3.860 . 0 0 "[ . 1 . 2]" 1
616 1 45 VAL H 1 45 VAL MG2 3.950 . 4.070 2.364 2.003 2.884 . 0 0 "[ . 1 . 2]" 1
617 1 45 VAL H 1 45 VAL QG 2.910 . 3.000 2.308 1.952 2.799 . 0 0 "[ . 1 . 2]" 1
618 1 45 VAL HA 1 45 VAL QG 2.930 . 3.020 2.218 2.123 2.346 . 0 0 "[ . 1 . 2]" 1
619 1 44 VAL MG1 1 46 MET ME 3.820 . 3.930 2.774 2.269 3.170 . 0 0 "[ . 1 . 2]" 1
620 1 44 VAL MG2 1 46 MET ME 3.820 . 3.930 3.356 2.845 3.848 . 0 0 "[ . 1 . 2]" 1
621 1 44 VAL QG 1 46 MET HA 5.440 . 5.600 3.754 3.302 4.171 . 0 0 "[ . 1 . 2]" 1
622 1 44 VAL QG 1 46 MET ME 3.300 . 3.400 2.635 2.184 3.030 . 0 0 "[ . 1 . 2]" 1
623 1 44 VAL QG 1 46 MET QG 5.280 . 5.440 3.783 3.489 4.033 . 0 0 "[ . 1 . 2]" 1
624 1 45 VAL HA 1 46 MET QG 4.560 . 4.700 4.027 3.482 4.867 0.167 17 0 "[ . 1 . 2]" 1
625 1 46 MET HA 1 46 MET ME 4.350 . 4.480 3.981 3.761 4.142 . 0 0 "[ . 1 . 2]" 1
626 1 46 MET HB3 1 46 MET ME 4.300 . 4.430 4.088 3.983 4.255 . 0 0 "[ . 1 . 2]" 1
627 1 45 VAL HB 1 47 ARG QG 5.290 . 5.450 4.410 2.987 5.489 0.039 11 0 "[ . 1 . 2]" 1
628 1 46 MET H 1 47 ARG H 4.730 . 4.870 4.521 4.423 4.600 . 0 0 "[ . 1 . 2]" 1
629 1 46 MET H 1 47 ARG QD 5.500 . 5.660 4.639 3.987 5.746 0.086 16 0 "[ . 1 . 2]" 1
630 1 46 MET HA 1 47 ARG H 2.630 . 2.710 2.180 2.042 2.253 . 0 0 "[ . 1 . 2]" 1
631 1 46 MET HA 1 47 ARG QG 5.310 . 5.470 4.137 3.087 4.889 . 0 0 "[ . 1 . 2]" 1
632 1 46 MET HB3 1 47 ARG H 3.000 . 3.090 3.060 2.913 3.182 0.092 9 0 "[ . 1 . 2]" 1
633 1 46 MET HG3 1 47 ARG H 5.260 . 5.420 4.874 3.779 5.354 . 0 0 "[ . 1 . 2]" 1
634 1 46 MET QG 1 47 ARG H 4.590 . 4.730 4.374 3.671 4.684 . 0 0 "[ . 1 . 2]" 1
635 1 47 ARG H 1 47 ARG HB3 4.080 . 4.200 3.751 3.672 3.849 . 0 0 "[ . 1 . 2]" 1
636 1 47 ARG H 1 47 ARG QD 4.380 . 4.510 2.894 2.237 4.367 . 0 0 "[ . 1 . 2]" 1
637 1 47 ARG H 1 47 ARG QG 4.250 . 4.380 3.214 2.318 3.799 . 0 0 "[ . 1 . 2]" 1
638 1 47 ARG HA 1 47 ARG QD 4.850 . 5.000 3.326 2.176 4.269 . 0 0 "[ . 1 . 2]" 1
639 1 47 ARG HA 1 47 ARG QG 3.690 . 3.800 2.556 2.321 3.176 . 0 0 "[ . 1 . 2]" 1
640 1 47 ARG H 1 48 ASP H 4.570 . 4.710 4.466 4.396 4.510 . 0 0 "[ . 1 . 2]" 1
641 1 47 ARG HA 1 48 ASP H 2.890 . 2.980 2.278 2.189 2.379 . 0 0 "[ . 1 . 2]" 1
642 1 47 ARG HB3 1 48 ASP H 2.990 . 3.080 2.656 2.313 2.890 . 0 0 "[ . 1 . 2]" 1
643 1 47 ARG QG 1 48 ASP H 4.400 . 4.530 3.981 3.674 4.579 0.049 2 0 "[ . 1 . 2]" 1
644 1 48 ASP H 1 48 ASP HB3 3.200 . 3.300 2.724 2.655 2.784 . 0 0 "[ . 1 . 2]" 1
645 1 48 ASP H 1 49 PRO QD 5.160 . 5.310 4.355 4.317 4.399 . 0 0 "[ . 1 . 2]" 1
646 1 48 ASP HA 1 49 PRO HG2 4.560 . 4.700 4.350 4.291 4.425 . 0 0 "[ . 1 . 2]" 1
647 1 48 ASP HA 1 49 PRO QD 3.070 . 3.160 2.018 1.986 2.071 . 0 0 "[ . 1 . 2]" 1
648 1 48 ASP HB3 1 49 PRO QB 5.500 . 5.660 5.706 5.600 5.752 0.092 17 0 "[ . 1 . 2]" 1
649 1 48 ASP HB3 1 49 PRO QD 4.300 . 4.430 3.701 3.626 3.741 . 0 0 "[ . 1 . 2]" 1
650 1 48 ASP HB3 1 50 ASN H 2.930 . 3.020 3.043 2.944 3.092 0.072 18 0 "[ . 1 . 2]" 1
651 1 48 ASP HB3 1 50 ASN HD21 3.760 . 3.870 4.010 3.973 4.041 0.171 18 0 "[ . 1 . 2]" 1
652 1 49 PRO HA 1 50 ASN H 3.560 . 3.670 3.432 3.361 3.485 . 0 0 "[ . 1 . 2]" 1
653 1 49 PRO HA 1 50 ASN HA 5.500 . 5.660 4.596 4.547 4.632 . 0 0 "[ . 1 . 2]" 1
654 1 49 PRO HG2 1 50 ASN H 4.340 . 4.470 2.881 2.685 3.083 . 0 0 "[ . 1 . 2]" 1
655 1 49 PRO HG2 1 50 ASN HD21 5.400 . 5.560 2.781 2.679 2.921 . 0 0 "[ . 1 . 2]" 1
656 1 49 PRO QB 1 50 ASN H 3.890 . 4.010 3.481 3.281 3.632 . 0 0 "[ . 1 . 2]" 1
657 1 49 PRO QB 1 50 ASN HA 4.360 . 4.490 4.148 4.032 4.267 . 0 0 "[ . 1 . 2]" 1
658 1 49 PRO QB 1 50 ASN HB2 5.500 . 5.660 5.373 5.219 5.537 . 0 0 "[ . 1 . 2]" 1
659 1 49 PRO QD 1 50 ASN H 3.460 . 3.560 2.800 2.711 2.872 . 0 0 "[ . 1 . 2]" 1
660 1 49 PRO QD 1 50 ASN HD21 5.100 . 5.250 2.895 2.736 3.091 . 0 0 "[ . 1 . 2]" 1
661 1 50 ASN H 1 50 ASN HB2 3.810 . 3.920 2.760 2.710 2.800 . 0 0 "[ . 1 . 2]" 1
662 1 50 ASN H 1 50 ASN HD21 3.840 . 3.960 2.225 2.155 2.308 . 0 0 "[ . 1 . 2]" 1
663 1 50 ASN H 1 50 ASN HD22 4.090 . 4.210 3.371 3.311 3.491 . 0 0 "[ . 1 . 2]" 1
664 1 50 ASN HA 1 50 ASN HD21 4.190 . 4.320 4.032 3.972 4.066 . 0 0 "[ . 1 . 2]" 1
665 1 48 ASP H 1 51 THR MG 5.130 . 5.280 5.158 4.901 5.294 0.014 17 0 "[ . 1 . 2]" 1
666 1 48 ASP HB3 1 51 THR H 2.960 . 3.050 2.282 2.076 2.414 . 0 0 "[ . 1 . 2]" 1
667 1 48 ASP HB3 1 51 THR HA 4.510 . 4.650 4.343 4.206 4.426 . 0 0 "[ . 1 . 2]" 1
668 1 48 ASP HB3 1 51 THR HB 4.820 . 4.960 4.065 3.970 4.115 . 0 0 "[ . 1 . 2]" 1
669 1 48 ASP HB3 1 51 THR MG 2.980 . 3.070 3.017 2.808 3.118 0.048 17 0 "[ . 1 . 2]" 1
670 1 49 PRO QD 1 51 THR H 4.260 . 4.390 4.307 4.233 4.410 0.020 3 0 "[ . 1 . 2]" 1
671 1 49 PRO QD 1 51 THR MG 4.670 . 4.810 4.855 4.833 4.893 0.083 14 0 "[ . 1 . 2]" 1
672 1 50 ASN H 1 51 THR H 2.940 . 3.030 2.271 2.176 2.436 . 0 0 "[ . 1 . 2]" 1
673 1 50 ASN H 1 51 THR HA 5.340 . 5.500 4.888 4.797 5.023 . 0 0 "[ . 1 . 2]" 1
674 1 50 ASN H 1 51 THR MG 3.740 . 3.850 3.732 3.676 3.814 . 0 0 "[ . 1 . 2]" 1
675 1 50 ASN HB2 1 51 THR H 3.890 . 4.010 2.214 2.054 2.420 . 0 0 "[ . 1 . 2]" 1
676 1 50 ASN HB2 1 51 THR HA 5.050 . 5.200 3.949 3.866 4.044 . 0 0 "[ . 1 . 2]" 1
677 1 50 ASN HB2 1 51 THR MG 4.150 . 4.270 2.483 2.363 2.569 . 0 0 "[ . 1 . 2]" 1
678 1 50 ASN HD21 1 51 THR H 4.550 . 4.690 3.068 3.013 3.146 . 0 0 "[ . 1 . 2]" 1
679 1 50 ASN HD21 1 51 THR HA 5.500 . 5.660 5.702 5.669 5.733 0.073 10 0 "[ . 1 . 2]" 1
680 1 50 ASN HD21 1 51 THR MG 4.160 . 4.280 3.407 3.355 3.473 . 0 0 "[ . 1 . 2]" 1
681 1 50 ASN HD22 1 51 THR H 4.880 . 5.030 4.721 4.671 4.795 . 0 0 "[ . 1 . 2]" 1
682 1 50 ASN HD22 1 51 THR MG 4.920 . 5.070 4.871 4.796 4.961 . 0 0 "[ . 1 . 2]" 1
683 1 51 THR H 1 51 THR HB 4.170 . 4.300 3.638 3.614 3.668 . 0 0 "[ . 1 . 2]" 1
684 1 51 THR H 1 51 THR MG 2.750 . 2.830 1.976 1.901 2.087 . 0 0 "[ . 1 . 2]" 1
685 1 51 THR HA 1 51 THR MG 2.590 . 2.670 2.484 2.439 2.505 . 0 0 "[ . 1 . 2]" 1
686 1 47 ARG H 1 52 LYS HA 5.430 . 5.590 5.478 5.118 5.685 0.095 2 0 "[ . 1 . 2]" 1
687 1 47 ARG HB3 1 52 LYS H 4.750 . 4.890 4.101 3.655 4.543 . 0 0 "[ . 1 . 2]" 1
688 1 47 ARG HB3 1 52 LYS HA 3.920 . 4.040 2.403 1.808 2.833 . 0 0 "[ . 1 . 2]" 1
689 1 47 ARG HB3 1 52 LYS QD 5.280 . 5.440 3.837 3.134 4.548 . 0 0 "[ . 1 . 2]" 1
690 1 47 ARG QD 1 52 LYS HA 5.230 . 5.390 4.830 3.923 5.433 0.043 19 0 "[ . 1 . 2]" 1
691 1 47 ARG QG 1 52 LYS HA 5.220 . 5.380 3.961 3.299 4.718 . 0 0 "[ . 1 . 2]" 1
692 1 48 ASP H 1 52 LYS H 3.930 . 4.050 3.630 3.500 3.808 . 0 0 "[ . 1 . 2]" 1
693 1 48 ASP H 1 52 LYS HA 3.700 . 3.810 3.478 3.267 3.617 . 0 0 "[ . 1 . 2]" 1
694 1 48 ASP HA 1 52 LYS H 4.230 . 4.360 4.360 4.270 4.392 0.032 6 0 "[ . 1 . 2]" 1
695 1 48 ASP HB3 1 52 LYS H 3.100 . 3.190 2.061 1.916 2.118 . 0 0 "[ . 1 . 2]" 1
696 1 48 ASP HB3 1 52 LYS HA 4.320 . 4.450 3.657 3.460 3.825 . 0 0 "[ . 1 . 2]" 1
697 1 49 PRO HA 1 52 LYS H 4.820 . 4.960 4.552 4.390 4.740 . 0 0 "[ . 1 . 2]" 1
698 1 49 PRO HA 1 52 LYS HA 4.750 . 4.890 4.596 4.337 4.796 . 0 0 "[ . 1 . 2]" 1
699 1 49 PRO HA 1 52 LYS HD2 5.020 . 5.170 3.401 2.858 4.772 . 0 0 "[ . 1 . 2]" 1
700 1 49 PRO HA 1 52 LYS QE 4.550 . 4.690 4.213 3.725 4.539 . 0 0 "[ . 1 . 2]" 1
701 1 49 PRO HA 1 52 LYS QG 5.340 . 5.500 4.581 4.214 4.776 . 0 0 "[ . 1 . 2]" 1
702 1 49 PRO QB 1 52 LYS QE 5.500 . 5.660 5.544 4.938 5.787 0.127 12 0 "[ . 1 . 2]" 1
703 1 50 ASN H 1 52 LYS H 3.480 . 3.580 3.200 3.036 3.410 . 0 0 "[ . 1 . 2]" 1
704 1 50 ASN HD21 1 52 LYS H 5.140 . 5.290 4.926 4.801 5.110 . 0 0 "[ . 1 . 2]" 1
705 1 51 THR H 1 52 LYS H 2.760 . 2.840 2.393 2.300 2.509 . 0 0 "[ . 1 . 2]" 1
706 1 51 THR H 1 52 LYS QD 5.340 . 5.500 4.676 4.382 5.135 . 0 0 "[ . 1 . 2]" 1
707 1 51 THR H 1 52 LYS QG 4.830 . 4.970 4.331 4.219 4.502 . 0 0 "[ . 1 . 2]" 1
708 1 51 THR HA 1 52 LYS QB 5.500 . 5.660 4.330 4.198 4.469 . 0 0 "[ . 1 . 2]" 1
709 1 51 THR HA 1 52 LYS QG 4.780 . 4.920 4.066 3.908 4.462 . 0 0 "[ . 1 . 2]" 1
710 1 51 THR HB 1 52 LYS H 4.320 . 4.450 4.034 3.985 4.102 . 0 0 "[ . 1 . 2]" 1
711 1 51 THR MG 1 52 LYS H 3.600 . 3.710 3.708 3.670 3.748 0.038 5 0 "[ . 1 . 2]" 1
712 1 52 LYS H 1 52 LYS HA 2.500 . 2.570 2.259 2.250 2.273 . 0 0 "[ . 1 . 2]" 1
713 1 52 LYS H 1 52 LYS HD2 4.170 . 4.300 3.199 2.810 4.342 0.042 9 0 "[ . 1 . 2]" 1
714 1 52 LYS H 1 52 LYS QD 3.430 . 3.530 2.988 2.769 3.356 . 0 0 "[ . 1 . 2]" 1
715 1 52 LYS H 1 52 LYS QG 3.280 . 3.380 2.948 2.820 3.046 . 0 0 "[ . 1 . 2]" 1
716 1 52 LYS HA 1 52 LYS HG2 3.890 . 4.010 3.109 2.883 3.206 . 0 0 "[ . 1 . 2]" 1
717 1 52 LYS HA 1 52 LYS QE 4.680 . 4.820 3.095 2.440 4.220 . 0 0 "[ . 1 . 2]" 1
718 1 52 LYS HA 1 52 LYS QG 3.310 . 3.410 2.967 2.784 3.043 . 0 0 "[ . 1 . 2]" 1
719 1 52 LYS QE 1 52 LYS HG2 3.470 . 3.570 3.356 2.731 3.502 . 0 0 "[ . 1 . 2]" 1
720 1 52 LYS QB 1 52 LYS QE 3.040 . 3.130 2.379 1.945 3.376 0.246 3 0 "[ . 1 . 2]" 1
721 1 52 LYS QE 1 52 LYS QG 3.020 . 3.110 2.474 2.088 2.834 . 0 0 "[ . 1 . 2]" 1
722 1 47 ARG HA 1 53 ARG H 4.640 . 4.780 4.466 4.270 4.671 . 0 0 "[ . 1 . 2]" 1
723 1 47 ARG HB3 1 53 ARG H 3.230 . 3.330 3.386 3.278 3.447 0.117 2 0 "[ . 1 . 2]" 1
724 1 47 ARG HB3 1 53 ARG QD 5.310 . 5.470 5.114 4.627 5.458 . 0 0 "[ . 1 . 2]" 1
725 1 48 ASP H 1 53 ARG H 3.410 . 3.510 2.900 2.795 3.056 . 0 0 "[ . 1 . 2]" 1
726 1 48 ASP H 1 53 ARG QB 5.020 . 5.170 4.149 3.822 4.590 . 0 0 "[ . 1 . 2]" 1
727 1 48 ASP HA 1 53 ARG H 5.420 . 5.580 5.030 4.793 5.174 . 0 0 "[ . 1 . 2]" 1
728 1 48 ASP HB3 1 53 ARG H 3.590 . 3.700 2.743 2.477 2.953 . 0 0 "[ . 1 . 2]" 1
729 1 48 ASP HB3 1 53 ARG QB 5.280 . 5.440 4.153 3.755 4.541 . 0 0 "[ . 1 . 2]" 1
730 1 51 THR H 1 53 ARG H 4.700 . 4.840 4.126 3.955 4.371 . 0 0 "[ . 1 . 2]" 1
731 1 51 THR HA 1 53 ARG H 4.870 . 5.020 4.428 4.338 4.553 . 0 0 "[ . 1 . 2]" 1
732 1 51 THR HA 1 53 ARG QD 4.640 . 4.780 3.871 3.428 4.892 0.112 5 0 "[ . 1 . 2]" 1
733 1 51 THR HB 1 53 ARG H 4.120 . 4.240 3.540 3.391 3.691 . 0 0 "[ . 1 . 2]" 1
734 1 51 THR HB 1 53 ARG QB 4.140 . 4.260 3.235 2.752 3.801 . 0 0 "[ . 1 . 2]" 1
735 1 51 THR HB 1 53 ARG QD 3.650 . 3.760 2.588 1.808 3.772 0.012 20 0 "[ . 1 . 2]" 1
736 1 51 THR MG 1 53 ARG H 4.330 . 4.460 4.109 4.016 4.236 . 0 0 "[ . 1 . 2]" 1
737 1 51 THR MG 1 53 ARG QB 4.360 . 4.490 3.956 3.674 4.291 . 0 0 "[ . 1 . 2]" 1
738 1 52 LYS H 1 53 ARG H 3.010 . 3.100 2.598 2.523 2.689 . 0 0 "[ . 1 . 2]" 1
739 1 52 LYS H 1 53 ARG HA 5.500 . 5.660 5.234 5.196 5.271 . 0 0 "[ . 1 . 2]" 1
740 1 52 LYS H 1 53 ARG QB 5.050 . 5.200 4.544 4.356 4.791 . 0 0 "[ . 1 . 2]" 1
741 1 52 LYS H 1 53 ARG QD 4.880 . 5.030 4.288 3.753 5.114 0.084 17 0 "[ . 1 . 2]" 1
742 1 52 LYS HA 1 53 ARG H 3.060 . 3.150 2.963 2.898 3.040 . 0 0 "[ . 1 . 2]" 1
743 1 52 LYS HA 1 53 ARG QD 5.010 . 5.160 4.558 4.234 5.098 . 0 0 "[ . 1 . 2]" 1
744 1 52 LYS QB 1 53 ARG HA 4.320 . 4.450 4.256 4.168 4.340 . 0 0 "[ . 1 . 2]" 1
745 1 52 LYS QG 1 53 ARG H 5.340 . 5.500 4.670 4.604 4.782 . 0 0 "[ . 1 . 2]" 1
746 1 53 ARG H 1 53 ARG QB 2.940 . 3.030 2.331 2.222 2.495 . 0 0 "[ . 1 . 2]" 1
747 1 53 ARG H 1 53 ARG QD 3.560 . 3.670 2.848 2.296 3.479 . 0 0 "[ . 1 . 2]" 1
748 1 53 ARG HA 1 53 ARG QD 3.810 . 3.920 2.523 1.968 3.772 . 0 0 "[ . 1 . 2]" 1
749 1 53 ARG QB 1 53 ARG QD 3.090 . 3.180 2.412 2.204 2.895 . 0 0 "[ . 1 . 2]" 1
750 1 23 PHE HB2 1 54 SER QB 5.220 . 5.380 4.351 3.878 5.416 0.036 15 0 "[ . 1 . 2]" 1
751 1 23 PHE QB 1 54 SER QB 4.530 . 4.670 3.136 2.559 4.218 . 0 0 "[ . 1 . 2]" 1
752 1 47 ARG H 1 54 SER HA 5.340 . 5.500 4.742 4.370 5.011 . 0 0 "[ . 1 . 2]" 1
753 1 47 ARG HA 1 54 SER HA 3.950 . 4.070 2.177 1.760 2.604 0.040 16 0 "[ . 1 . 2]" 1
754 1 47 ARG HB3 1 54 SER H 5.380 . 5.540 4.350 3.671 5.122 . 0 0 "[ . 1 . 2]" 1
755 1 47 ARG HB3 1 54 SER HA 5.120 . 5.270 3.828 3.189 4.409 . 0 0 "[ . 1 . 2]" 1
756 1 47 ARG QD 1 54 SER HA 5.310 . 5.470 3.920 2.407 4.999 . 0 0 "[ . 1 . 2]" 1
757 1 47 ARG QG 1 54 SER HA 4.200 . 4.330 2.909 2.021 4.377 0.047 2 0 "[ . 1 . 2]" 1
758 1 48 ASP H 1 54 SER HA 3.960 . 4.080 3.547 3.059 4.155 0.075 6 0 "[ . 1 . 2]" 1
759 1 53 ARG H 1 54 SER H 5.040 . 5.190 3.263 2.253 4.556 . 0 0 "[ . 1 . 2]" 1
760 1 53 ARG QB 1 54 SER H 4.130 . 4.250 2.241 1.894 2.961 . 0 0 "[ . 1 . 2]" 1
761 1 53 ARG QD 1 54 SER H 4.750 . 4.890 4.421 4.092 4.806 . 0 0 "[ . 1 . 2]" 1
762 1 46 MET HB3 1 55 ARG HB3 5.010 . 5.160 4.082 3.661 4.631 . 0 0 "[ . 1 . 2]" 1
763 1 46 MET HB3 1 55 ARG HD2 5.260 . 5.420 3.952 1.806 5.463 0.043 16 0 "[ . 1 . 2]" 1
764 1 46 MET HB3 1 55 ARG QD 4.490 . 4.620 3.080 1.756 4.641 0.044 20 0 "[ . 1 . 2]" 1
765 1 47 ARG H 1 55 ARG H 5.350 . 5.510 4.708 4.332 5.317 . 0 0 "[ . 1 . 2]" 1
766 1 47 ARG H 1 55 ARG QD 5.340 . 5.500 4.408 3.321 5.567 0.067 11 0 "[ . 1 . 2]" 1
767 1 47 ARG H 1 55 ARG QG 5.340 . 5.500 3.787 2.907 4.943 . 0 0 "[ . 1 . 2]" 1
768 1 47 ARG HA 1 55 ARG HB3 4.960 . 5.110 5.145 4.487 5.316 0.206 13 0 "[ . 1 . 2]" 1
769 1 47 ARG HA 1 55 ARG QG 4.140 . 4.260 3.031 2.335 3.837 . 0 0 "[ . 1 . 2]" 1
770 1 48 ASP H 1 55 ARG H 4.450 . 4.580 4.114 3.417 4.595 0.015 1 0 "[ . 1 . 2]" 1
771 1 48 ASP H 1 55 ARG QD 5.340 . 5.500 4.473 3.175 5.187 . 0 0 "[ . 1 . 2]" 1
772 1 48 ASP H 1 55 ARG QG 4.010 . 4.130 3.017 2.514 3.420 . 0 0 "[ . 1 . 2]" 1
773 1 48 ASP HA 1 55 ARG QD 4.130 . 4.250 2.993 1.976 3.904 . 0 0 "[ . 1 . 2]" 1
774 1 49 PRO QD 1 55 ARG QD 4.450 . 4.580 2.966 2.239 3.634 . 0 0 "[ . 1 . 2]" 1
775 1 54 SER HA 1 55 ARG HB3 5.500 . 5.660 5.590 5.111 5.693 0.033 7 0 "[ . 1 . 2]" 1
776 1 55 ARG H 1 55 ARG QG 4.290 . 4.420 3.150 2.432 3.716 . 0 0 "[ . 1 . 2]" 1
777 1 21 LEU HG 1 56 GLY HA2 5.260 . 5.420 3.752 3.592 3.878 . 0 0 "[ . 1 . 2]" 1
778 1 21 LEU HG 1 56 GLY HA3 5.040 . 5.190 4.669 4.542 4.787 . 0 0 "[ . 1 . 2]" 1
779 1 21 LEU MD1 1 56 GLY H 4.960 . 5.110 2.985 2.793 3.293 . 0 0 "[ . 1 . 2]" 1
780 1 21 LEU MD1 1 56 GLY HA2 4.700 . 4.840 2.346 2.230 2.613 . 0 0 "[ . 1 . 2]" 1
781 1 21 LEU MD2 1 56 GLY HA3 5.500 . 5.660 5.675 5.590 5.719 0.059 10 0 "[ . 1 . 2]" 1
782 1 25 THR HB 1 56 GLY H 5.500 . 5.660 5.468 5.181 5.708 0.048 16 0 "[ . 1 . 2]" 1
783 1 25 THR HB 1 56 GLY HA2 5.300 . 5.460 5.119 4.756 5.493 0.033 4 0 "[ . 1 . 2]" 1
784 1 54 SER HA 1 56 GLY H 4.410 . 4.540 3.796 3.605 4.229 . 0 0 "[ . 1 . 2]" 1
785 1 55 ARG H 1 56 GLY H 4.310 . 4.440 2.336 2.007 2.725 . 0 0 "[ . 1 . 2]" 1
786 1 55 ARG HB3 1 56 GLY H 4.610 . 4.750 3.994 3.105 4.299 . 0 0 "[ . 1 . 2]" 1
787 1 55 ARG HB3 1 56 GLY HA3 4.830 . 4.970 4.699 4.250 4.882 . 0 0 "[ . 1 . 2]" 1
788 1 55 ARG QG 1 56 GLY H 5.340 . 5.500 4.546 4.094 4.750 . 0 0 "[ . 1 . 2]" 1
789 1 18 ILE HB 1 57 PHE HA 5.070 . 5.220 4.095 3.869 4.279 . 0 0 "[ . 1 . 2]" 1
790 1 19 GLY H 1 57 PHE HA 5.500 . 5.660 4.999 4.848 5.200 . 0 0 "[ . 1 . 2]" 1
791 1 19 GLY HA2 1 57 PHE HA 4.730 . 4.870 2.660 2.443 2.934 . 0 0 "[ . 1 . 2]" 1
792 1 19 GLY HA2 1 57 PHE QB 4.640 . 4.780 1.947 1.864 2.058 . 0 0 "[ . 1 . 2]" 1
793 1 19 GLY HA2 1 57 PHE QD 4.500 . 4.640 3.952 3.806 4.085 . 0 0 "[ . 1 . 2]" 1
794 1 19 GLY HA3 1 57 PHE HA 5.110 . 5.260 4.410 4.182 4.684 . 0 0 "[ . 1 . 2]" 1
795 1 19 GLY HA3 1 57 PHE QD 4.490 . 4.620 4.677 4.509 4.741 0.121 17 0 "[ . 1 . 2]" 1
796 1 20 GLY H 1 57 PHE H 5.380 . 5.540 4.947 4.813 5.191 . 0 0 "[ . 1 . 2]" 1
797 1 20 GLY H 1 57 PHE HA 4.380 . 4.510 3.304 3.120 3.553 . 0 0 "[ . 1 . 2]" 1
798 1 21 LEU HB3 1 57 PHE HA 5.210 . 5.370 4.358 4.215 4.576 . 0 0 "[ . 1 . 2]" 1
799 1 21 LEU HG 1 57 PHE H 3.870 . 3.990 3.707 3.568 3.921 . 0 0 "[ . 1 . 2]" 1
800 1 21 LEU HG 1 57 PHE HA 4.010 . 4.130 2.008 1.861 2.179 . 0 0 "[ . 1 . 2]" 1
801 1 21 LEU MD1 1 57 PHE H 3.380 . 3.480 2.479 2.381 2.671 . 0 0 "[ . 1 . 2]" 1
802 1 21 LEU MD1 1 57 PHE HA 3.390 . 3.490 2.777 2.628 2.952 . 0 0 "[ . 1 . 2]" 1
803 1 21 LEU MD2 1 57 PHE HA 3.870 . 3.990 2.388 2.144 2.524 . 0 0 "[ . 1 . 2]" 1
804 1 25 THR HB 1 57 PHE H 5.500 . 5.660 5.765 5.701 5.837 0.177 18 0 "[ . 1 . 2]" 1
805 1 46 MET H 1 57 PHE H 4.820 . 4.960 4.210 3.890 4.499 . 0 0 "[ . 1 . 2]" 1
806 1 46 MET H 1 57 PHE HA 5.500 . 5.660 5.381 5.025 5.658 . 0 0 "[ . 1 . 2]" 1
807 1 46 MET HB3 1 57 PHE QE 3.910 . 4.030 3.473 2.827 4.054 0.024 1 0 "[ . 1 . 2]" 1
808 1 55 ARG H 1 57 PHE H 4.200 . 4.330 3.293 2.784 3.679 . 0 0 "[ . 1 . 2]" 1
809 1 55 ARG HB3 1 57 PHE H 3.760 . 3.870 3.872 3.202 4.030 0.160 18 0 "[ . 1 . 2]" 1
810 1 56 GLY H 1 57 PHE H 3.270 . 3.370 2.331 1.758 2.559 0.042 5 0 "[ . 1 . 2]" 1
811 1 18 ILE HB 1 58 GLY H 4.620 . 4.760 2.622 2.503 2.736 . 0 0 "[ . 1 . 2]" 1
812 1 18 ILE HB 1 58 GLY HA2 5.030 . 5.180 4.666 4.555 4.748 . 0 0 "[ . 1 . 2]" 1
813 1 18 ILE HB 1 58 GLY HA3 5.030 . 5.180 3.628 3.487 3.768 . 0 0 "[ . 1 . 2]" 1
814 1 18 ILE HB 1 58 GLY QA 4.370 . 4.500 3.509 3.384 3.630 . 0 0 "[ . 1 . 2]" 1
815 1 18 ILE MG 1 58 GLY QA 5.050 . 5.200 4.520 4.322 4.661 . 0 0 "[ . 1 . 2]" 1
816 1 19 GLY HA2 1 58 GLY H 5.500 . 5.660 3.557 3.438 3.770 . 0 0 "[ . 1 . 2]" 1
817 1 21 LEU HG 1 58 GLY H 4.470 . 4.600 3.893 3.726 4.062 . 0 0 "[ . 1 . 2]" 1
818 1 21 LEU MD1 1 58 GLY H 4.020 . 4.140 4.095 4.028 4.180 0.040 11 0 "[ . 1 . 2]" 1
819 1 21 LEU MD1 1 58 GLY QA 4.540 . 4.680 3.991 3.881 4.202 . 0 0 "[ . 1 . 2]" 1
820 1 21 LEU MD2 1 58 GLY H 4.070 . 4.190 2.564 2.448 2.691 . 0 0 "[ . 1 . 2]" 1
821 1 45 VAL HA 1 58 GLY QA 3.560 . 3.670 2.083 1.884 2.245 . 0 0 "[ . 1 . 2]" 1
822 1 45 VAL QG 1 58 GLY QA 4.910 . 5.060 2.400 2.097 2.752 . 0 0 "[ . 1 . 2]" 1
823 1 46 MET H 1 58 GLY QA 4.740 . 4.880 2.485 1.962 2.747 . 0 0 "[ . 1 . 2]" 1
824 1 46 MET ME 1 58 GLY QA 5.340 . 5.500 3.801 3.288 4.126 . 0 0 "[ . 1 . 2]" 1
825 1 46 MET QG 1 58 GLY QA 4.350 . 4.480 3.080 2.093 4.495 0.015 5 0 "[ . 1 . 2]" 1
826 1 57 PHE H 1 58 GLY H 4.410 . 4.540 4.343 4.317 4.376 . 0 0 "[ . 1 . 2]" 1
827 1 57 PHE H 1 58 GLY QA 4.940 . 5.090 4.395 4.341 4.461 . 0 0 "[ . 1 . 2]" 1
828 1 57 PHE HB2 1 58 GLY H 5.000 . 5.150 2.479 2.307 2.623 . 0 0 "[ . 1 . 2]" 1
829 1 57 PHE QB 1 58 GLY H 4.300 . 4.430 2.448 2.282 2.588 . 0 0 "[ . 1 . 2]" 1
830 1 15 LYS HE3 1 59 PHE QD 4.990 . 5.140 4.487 3.748 4.831 . 0 0 "[ . 1 . 2]" 1
831 1 15 LYS HG2 1 59 PHE HB2 5.020 . 5.170 4.433 3.933 5.058 . 0 0 "[ . 1 . 2]" 1
832 1 15 LYS HG2 1 59 PHE QD 4.300 . 4.430 2.368 2.121 2.667 . 0 0 "[ . 1 . 2]" 1
833 1 15 LYS QB 1 59 PHE QD 5.270 . 5.430 3.955 3.538 4.197 . 0 0 "[ . 1 . 2]" 1
834 1 15 LYS QD 1 59 PHE HA 5.500 . 5.660 4.191 3.973 4.601 . 0 0 "[ . 1 . 2]" 1
835 1 15 LYS QD 1 59 PHE QD 4.390 . 4.520 2.364 2.138 2.733 . 0 0 "[ . 1 . 2]" 1
836 1 15 LYS QE 1 59 PHE HB2 5.020 . 5.170 4.603 2.830 4.994 . 0 0 "[ . 1 . 2]" 1
837 1 15 LYS QE 1 59 PHE QD 4.230 . 4.360 4.082 3.022 4.366 0.006 8 0 "[ . 1 . 2]" 1
838 1 15 LYS QG 1 59 PHE HA 5.110 . 5.260 3.721 3.513 3.969 . 0 0 "[ . 1 . 2]" 1
839 1 15 LYS QG 1 59 PHE HB2 4.380 . 4.510 3.864 3.580 4.092 . 0 0 "[ . 1 . 2]" 1
840 1 15 LYS QG 1 59 PHE QD 3.480 . 3.580 2.338 2.088 2.627 . 0 0 "[ . 1 . 2]" 1
841 1 15 LYS QG 1 59 PHE QE 5.340 . 5.500 4.243 3.700 4.528 . 0 0 "[ . 1 . 2]" 1
842 1 16 LEU H 1 59 PHE HA 5.100 . 5.250 4.602 4.408 4.824 . 0 0 "[ . 1 . 2]" 1
843 1 16 LEU H 1 59 PHE QD 4.730 . 4.870 4.444 4.170 4.723 . 0 0 "[ . 1 . 2]" 1
844 1 17 PHE HA 1 59 PHE HA 4.370 . 4.500 3.044 2.870 3.286 . 0 0 "[ . 1 . 2]" 1
845 1 17 PHE HB3 1 59 PHE QD 5.500 . 5.660 4.937 4.742 5.282 . 0 0 "[ . 1 . 2]" 1
846 1 17 PHE HB3 1 59 PHE QE 4.790 . 4.930 4.294 3.902 4.552 . 0 0 "[ . 1 . 2]" 1
847 1 17 PHE QD 1 59 PHE QE 4.080 . 4.200 2.541 2.257 2.762 . 0 0 "[ . 1 . 2]" 1
848 1 18 ILE H 1 59 PHE HA 4.320 . 4.450 2.903 2.752 3.149 . 0 0 "[ . 1 . 2]" 1
849 1 18 ILE H 1 59 PHE QD 4.650 . 4.790 4.115 3.988 4.239 . 0 0 "[ . 1 . 2]" 1
850 1 18 ILE HB 1 59 PHE HA 5.190 . 5.350 4.129 3.748 4.494 . 0 0 "[ . 1 . 2]" 1
851 1 18 ILE HG12 1 59 PHE HA 4.430 . 4.560 2.778 2.653 2.953 . 0 0 "[ . 1 . 2]" 1
852 1 18 ILE HG13 1 59 PHE HA 4.380 . 4.510 4.225 4.060 4.438 . 0 0 "[ . 1 . 2]" 1
853 1 18 ILE MD 1 59 PHE HA 4.240 . 4.370 4.115 3.970 4.270 . 0 0 "[ . 1 . 2]" 1
854 1 18 ILE MD 1 59 PHE QD 5.140 . 5.290 5.330 5.249 5.366 0.076 4 0 "[ . 1 . 2]" 1
855 1 30 LEU QD 1 59 PHE H 4.090 . 4.210 3.368 2.651 4.023 . 0 0 "[ . 1 . 2]" 1
856 1 30 LEU QD 1 59 PHE HA 4.660 . 4.800 4.032 3.589 4.554 . 0 0 "[ . 1 . 2]" 1
857 1 43 CYS HA 1 59 PHE H 5.500 . 5.660 4.945 4.748 5.112 . 0 0 "[ . 1 . 2]" 1
858 1 43 CYS HA 1 59 PHE HB2 5.500 . 5.660 4.875 4.422 5.246 . 0 0 "[ . 1 . 2]" 1
859 1 44 VAL H 1 59 PHE H 3.660 . 3.770 3.183 3.047 3.328 . 0 0 "[ . 1 . 2]" 1
860 1 44 VAL H 1 59 PHE HA 5.170 . 5.330 4.946 4.765 5.144 . 0 0 "[ . 1 . 2]" 1
861 1 44 VAL H 1 59 PHE HB2 4.970 . 5.120 3.842 3.614 4.193 . 0 0 "[ . 1 . 2]" 1
862 1 44 VAL H 1 59 PHE QD 5.500 . 5.660 5.282 5.079 5.614 . 0 0 "[ . 1 . 2]" 1
863 1 44 VAL MG1 1 59 PHE H 5.330 . 5.490 2.942 2.481 3.417 . 0 0 "[ . 1 . 2]" 1
864 1 44 VAL MG1 1 59 PHE QD 4.840 . 4.990 2.913 2.560 3.366 . 0 0 "[ . 1 . 2]" 1
865 1 44 VAL MG2 1 59 PHE H 5.330 . 5.490 4.405 4.096 4.727 . 0 0 "[ . 1 . 2]" 1
866 1 44 VAL MG2 1 59 PHE QD 4.840 . 4.990 4.434 3.902 4.953 . 0 0 "[ . 1 . 2]" 1
867 1 44 VAL QG 1 59 PHE H 3.830 . 3.940 2.898 2.467 3.328 . 0 0 "[ . 1 . 2]" 1
868 1 44 VAL QG 1 59 PHE HA 4.830 . 4.970 4.425 4.068 4.822 . 0 0 "[ . 1 . 2]" 1
869 1 44 VAL QG 1 59 PHE HB2 3.600 . 3.710 2.246 1.947 2.619 . 0 0 "[ . 1 . 2]" 1
870 1 44 VAL QG 1 59 PHE QD 3.800 . 3.910 2.874 2.542 3.298 . 0 0 "[ . 1 . 2]" 1
871 1 44 VAL QG 1 59 PHE QE 5.440 . 5.600 4.548 4.261 4.909 . 0 0 "[ . 1 . 2]" 1
872 1 45 VAL HA 1 59 PHE H 4.640 . 4.780 3.017 2.639 3.278 . 0 0 "[ . 1 . 2]" 1
873 1 45 VAL QG 1 59 PHE H 4.560 . 4.700 3.623 3.346 3.978 . 0 0 "[ . 1 . 2]" 1
874 1 46 MET H 1 59 PHE H 5.300 . 5.460 4.569 4.029 4.852 . 0 0 "[ . 1 . 2]" 1
875 1 46 MET H 1 59 PHE QD 4.960 . 5.110 4.792 4.570 5.128 0.018 16 0 "[ . 1 . 2]" 1
876 1 46 MET HB3 1 59 PHE QE 5.500 . 5.660 5.523 5.045 5.727 0.067 2 0 "[ . 1 . 2]" 1
877 1 46 MET ME 1 59 PHE QD 3.580 . 3.690 1.854 1.748 2.081 0.052 19 0 "[ . 1 . 2]" 1
878 1 46 MET ME 1 59 PHE QE 3.680 . 3.790 2.069 1.822 2.237 . 0 0 "[ . 1 . 2]" 1
879 1 46 MET QG 1 59 PHE QD 4.900 . 5.050 3.324 2.682 4.187 . 0 0 "[ . 1 . 2]" 1
880 1 46 MET QG 1 59 PHE QE 4.520 . 4.660 2.993 2.481 3.553 . 0 0 "[ . 1 . 2]" 1
881 1 58 GLY QA 1 59 PHE QD 4.520 . 4.660 3.175 3.014 3.372 . 0 0 "[ . 1 . 2]" 1
882 1 59 PHE H 1 59 PHE QD 4.140 . 4.260 3.152 2.972 3.368 . 0 0 "[ . 1 . 2]" 1
883 1 59 PHE HA 1 59 PHE QD 3.570 . 3.680 2.898 2.773 2.990 . 0 0 "[ . 1 . 2]" 1
884 1 59 PHE HA 1 59 PHE QE 4.710 . 4.850 4.604 4.531 4.664 . 0 0 "[ . 1 . 2]" 1
885 1 15 LYS HA 1 60 VAL H 4.650 . 4.790 4.147 3.807 4.393 . 0 0 "[ . 1 . 2]" 1
886 1 15 LYS HA 1 60 VAL QG 5.110 . 5.260 4.368 3.928 4.718 . 0 0 "[ . 1 . 2]" 1
887 1 15 LYS QD 1 60 VAL H 4.930 . 5.080 4.057 3.787 4.725 . 0 0 "[ . 1 . 2]" 1
888 1 15 LYS QE 1 60 VAL H 5.340 . 5.500 5.452 4.385 5.624 0.124 5 0 "[ . 1 . 2]" 1
889 1 15 LYS QG 1 60 VAL H 3.660 . 3.770 2.756 2.568 3.076 . 0 0 "[ . 1 . 2]" 1
890 1 16 LEU H 1 60 VAL H 3.600 . 3.710 2.723 2.537 2.929 . 0 0 "[ . 1 . 2]" 1
891 1 16 LEU H 1 60 VAL HA 5.030 . 5.180 4.489 4.362 4.605 . 0 0 "[ . 1 . 2]" 1
892 1 16 LEU H 1 60 VAL QG 3.480 . 3.580 2.945 2.672 3.167 . 0 0 "[ . 1 . 2]" 1
893 1 16 LEU HA 1 60 VAL QG 4.350 . 4.480 4.093 3.847 4.316 . 0 0 "[ . 1 . 2]" 1
894 1 16 LEU HB3 1 60 VAL H 4.460 . 4.590 3.544 3.130 4.013 . 0 0 "[ . 1 . 2]" 1
895 1 16 LEU HB3 1 60 VAL HA 5.500 . 5.660 5.459 5.048 5.864 0.204 11 0 "[ . 1 . 2]" 1
896 1 16 LEU HB3 1 60 VAL HB 5.030 . 5.180 4.470 4.000 5.069 . 0 0 "[ . 1 . 2]" 1
897 1 16 LEU HB3 1 60 VAL QG 3.040 . 3.130 1.921 1.720 2.319 0.080 15 0 "[ . 1 . 2]" 1
898 1 16 LEU QD 1 60 VAL HB 5.300 . 5.460 4.548 3.909 5.011 . 0 0 "[ . 1 . 2]" 1
899 1 16 LEU QD 1 60 VAL QG 2.790 . 2.870 2.638 2.331 2.780 . 0 0 "[ . 1 . 2]" 1
900 1 17 PHE HA 1 60 VAL H 4.650 . 4.790 4.241 4.080 4.403 . 0 0 "[ . 1 . 2]" 1
901 1 18 ILE HB 1 60 VAL QG 4.730 . 4.870 3.888 3.710 4.135 . 0 0 "[ . 1 . 2]" 1
902 1 18 ILE HG12 1 60 VAL H 4.600 . 4.740 3.515 3.275 3.712 . 0 0 "[ . 1 . 2]" 1
903 1 18 ILE HG12 1 60 VAL QG 3.720 . 3.830 2.171 1.907 2.409 . 0 0 "[ . 1 . 2]" 1
904 1 18 ILE HG13 1 60 VAL H 5.210 . 5.370 4.613 4.340 4.808 . 0 0 "[ . 1 . 2]" 1
905 1 18 ILE HG13 1 60 VAL HB 5.250 . 5.410 4.540 3.254 5.269 . 0 0 "[ . 1 . 2]" 1
906 1 18 ILE HG13 1 60 VAL QG 3.120 . 3.210 2.251 2.079 2.465 . 0 0 "[ . 1 . 2]" 1
907 1 18 ILE MD 1 60 VAL H 4.310 . 4.440 4.055 3.871 4.226 . 0 0 "[ . 1 . 2]" 1
908 1 18 ILE MD 1 60 VAL HB 4.270 . 4.400 4.369 3.971 4.489 0.089 2 0 "[ . 1 . 2]" 1
909 1 18 ILE MD 1 60 VAL QG 2.620 . 2.700 2.085 1.973 2.151 . 0 0 "[ . 1 . 2]" 1
910 1 18 ILE MG 1 60 VAL QG 4.070 . 4.190 3.703 3.570 3.833 . 0 0 "[ . 1 . 2]" 1
911 1 30 LEU QD 1 60 VAL HA 4.440 . 4.570 3.861 3.198 4.304 . 0 0 "[ . 1 . 2]" 1
912 1 30 LEU QD 1 60 VAL HB 3.810 . 3.920 3.416 1.930 4.132 0.212 18 0 "[ . 1 . 2]" 1
913 1 30 LEU QD 1 60 VAL QG 3.890 . 4.010 2.158 1.769 3.175 0.031 8 0 "[ . 1 . 2]" 1
914 1 31 ARG HA 1 60 VAL MG1 5.150 . 5.300 3.734 2.361 5.364 0.064 14 0 "[ . 1 . 2]" 1
915 1 31 ARG HA 1 60 VAL MG2 5.150 . 5.300 4.356 2.691 5.239 . 0 0 "[ . 1 . 2]" 1
916 1 31 ARG HA 1 60 VAL QG 4.250 . 4.380 3.097 2.349 3.942 . 0 0 "[ . 1 . 2]" 1
917 1 34 PHE HB3 1 60 VAL MG1 4.110 . 4.230 3.305 2.771 3.591 . 0 0 "[ . 1 . 2]" 1
918 1 34 PHE HB3 1 60 VAL MG2 4.110 . 4.230 2.737 1.872 3.312 . 0 0 "[ . 1 . 2]" 1
919 1 34 PHE HB3 1 60 VAL QG 3.340 . 3.440 2.527 1.865 2.987 . 0 0 "[ . 1 . 2]" 1
920 1 34 PHE HZ 1 60 VAL QG 4.230 . 4.360 3.993 3.631 4.369 0.009 10 0 "[ . 1 . 2]" 1
921 1 34 PHE QD 1 60 VAL MG1 3.570 . 3.680 3.161 2.689 3.645 . 0 0 "[ . 1 . 2]" 1
922 1 34 PHE QD 1 60 VAL MG2 3.570 . 3.680 2.955 2.659 3.362 . 0 0 "[ . 1 . 2]" 1
923 1 34 PHE QD 1 60 VAL QG 3.060 . 3.150 2.691 2.433 2.845 . 0 0 "[ . 1 . 2]" 1
924 1 34 PHE QE 1 60 VAL MG1 4.720 . 4.860 3.936 2.949 4.738 . 0 0 "[ . 1 . 2]" 1
925 1 34 PHE QE 1 60 VAL MG2 4.720 . 4.860 3.792 3.170 4.647 . 0 0 "[ . 1 . 2]" 1
926 1 34 PHE QE 1 60 VAL QG 3.560 . 3.670 3.232 2.893 3.522 . 0 0 "[ . 1 . 2]" 1
927 1 40 LEU H 1 60 VAL QG 5.220 . 5.380 5.203 4.864 5.453 0.073 18 0 "[ . 1 . 2]" 1
928 1 40 LEU HB3 1 60 VAL QG 2.780 . 2.860 2.952 2.872 3.046 0.186 14 0 "[ . 1 . 2]" 1
929 1 40 LEU HG 1 60 VAL HA 5.500 . 5.660 5.188 3.652 5.999 0.339 15 0 "[ . 1 . 2]" 1
930 1 40 LEU HG 1 60 VAL HB 5.500 . 5.660 4.215 2.312 5.679 0.019 4 0 "[ . 1 . 2]" 1
931 1 40 LEU HG 1 60 VAL QG 4.180 . 4.310 3.096 1.516 3.988 0.284 19 0 "[ . 1 . 2]" 1
932 1 40 LEU MD1 1 60 VAL HA 4.860 . 5.010 3.916 3.068 5.323 0.313 20 0 "[ . 1 . 2]" 1
933 1 40 LEU MD2 1 60 VAL HA 4.860 . 5.010 3.722 3.125 5.257 0.247 16 0 "[ . 1 . 2]" 1
934 1 40 LEU QD 1 60 VAL HA 4.210 . 4.340 3.225 2.972 3.832 . 0 0 "[ . 1 . 2]" 1
935 1 40 LEU QD 1 60 VAL HB 4.200 . 4.330 2.239 1.662 4.172 0.138 10 0 "[ . 1 . 2]" 1
936 1 40 LEU QD 1 60 VAL QG 3.070 . 3.160 1.788 1.587 2.473 0.213 12 0 "[ . 1 . 2]" 1
937 1 42 ASP H 1 60 VAL HA 5.080 . 5.230 4.838 4.619 5.195 . 0 0 "[ . 1 . 2]" 1
938 1 42 ASP H 1 60 VAL QG 4.830 . 4.970 4.842 4.328 5.050 0.080 13 0 "[ . 1 . 2]" 1
939 1 42 ASP HB3 1 60 VAL HA 5.440 . 5.600 5.007 4.450 5.649 0.049 12 0 "[ . 1 . 2]" 1
940 1 43 CYS HA 1 60 VAL H 4.800 . 4.940 4.760 4.342 4.945 0.005 13 0 "[ . 1 . 2]" 1
941 1 43 CYS HA 1 60 VAL HA 3.160 . 3.250 2.264 2.089 2.365 . 0 0 "[ . 1 . 2]" 1
942 1 43 CYS HA 1 60 VAL HB 4.660 . 4.800 4.230 3.744 4.566 . 0 0 "[ . 1 . 2]" 1
943 1 43 CYS HA 1 60 VAL MG1 4.770 . 4.910 3.516 2.521 4.984 0.074 16 0 "[ . 1 . 2]" 1
944 1 43 CYS HA 1 60 VAL MG2 4.770 . 4.910 4.343 3.478 4.807 . 0 0 "[ . 1 . 2]" 1
945 1 43 CYS HA 1 60 VAL QG 3.660 . 3.770 3.039 2.510 3.910 0.140 15 0 "[ . 1 . 2]" 1
946 1 43 CYS HB2 1 60 VAL HA 4.500 . 4.640 3.911 2.894 4.275 . 0 0 "[ . 1 . 2]" 1
947 1 43 CYS HB2 1 60 VAL HB 5.500 . 5.660 4.703 3.407 5.388 . 0 0 "[ . 1 . 2]" 1
948 1 43 CYS HB2 1 60 VAL MG1 5.500 . 5.660 3.722 1.781 5.668 0.019 5 0 "[ . 1 . 2]" 1
949 1 43 CYS HB2 1 60 VAL MG2 5.500 . 5.660 4.727 3.285 5.403 . 0 0 "[ . 1 . 2]" 1
950 1 43 CYS QB 1 60 VAL QG 3.490 . 3.590 2.549 1.772 3.454 0.028 5 0 "[ . 1 . 2]" 1
951 1 44 VAL H 1 60 VAL HA 3.520 . 3.630 3.540 3.408 3.639 0.009 2 0 "[ . 1 . 2]" 1
952 1 44 VAL H 1 60 VAL HB 5.500 . 5.660 5.202 4.297 5.753 0.093 2 0 "[ . 1 . 2]" 1
953 1 44 VAL H 1 60 VAL QG 4.870 . 5.020 3.716 3.126 4.632 . 0 0 "[ . 1 . 2]" 1
954 1 59 PHE H 1 60 VAL HA 5.500 . 5.660 4.950 4.883 5.036 . 0 0 "[ . 1 . 2]" 1
955 1 59 PHE HA 1 60 VAL H 2.870 . 2.960 2.256 2.217 2.306 . 0 0 "[ . 1 . 2]" 1
956 1 59 PHE HA 1 60 VAL HB 5.500 . 5.660 5.171 4.202 5.621 . 0 0 "[ . 1 . 2]" 1
957 1 59 PHE HA 1 60 VAL QG 3.710 . 3.820 3.070 2.935 3.493 . 0 0 "[ . 1 . 2]" 1
958 1 59 PHE HB2 1 60 VAL H 3.880 . 4.000 3.847 3.807 3.913 . 0 0 "[ . 1 . 2]" 1
959 1 59 PHE QD 1 60 VAL H 3.980 . 4.100 3.572 3.383 3.729 . 0 0 "[ . 1 . 2]" 1
960 1 60 VAL H 1 60 VAL HB 4.020 . 4.140 3.674 3.230 3.826 . 0 0 "[ . 1 . 2]" 1
961 1 60 VAL H 1 60 VAL MG1 4.030 . 4.150 3.057 2.281 3.619 . 0 0 "[ . 1 . 2]" 1
962 1 60 VAL H 1 60 VAL MG2 4.030 . 4.150 2.921 2.267 3.962 . 0 0 "[ . 1 . 2]" 1
963 1 60 VAL H 1 60 VAL QG 2.960 . 3.050 2.309 2.238 2.392 . 0 0 "[ . 1 . 2]" 1
964 1 60 VAL HA 1 60 VAL MG1 3.280 . 3.380 2.550 2.100 3.218 . 0 0 "[ . 1 . 2]" 1
965 1 60 VAL HA 1 60 VAL MG2 3.280 . 3.380 2.884 2.306 3.156 . 0 0 "[ . 1 . 2]" 1
966 1 60 VAL HA 1 60 VAL QG 2.700 . 2.780 2.226 2.069 2.564 . 0 0 "[ . 1 . 2]" 1
967 1 11 GLU H 1 61 THR MG 5.500 . 5.660 5.197 4.690 5.674 0.014 6 0 "[ . 1 . 2]" 1
968 1 11 GLU HA 1 61 THR MG 3.550 . 3.660 2.976 2.385 3.467 . 0 0 "[ . 1 . 2]" 1
969 1 11 GLU QB 1 61 THR MG 4.100 . 4.220 3.465 2.070 4.220 . 0 0 "[ . 1 . 2]" 1
970 1 11 GLU QG 1 61 THR MG 3.530 . 3.640 2.650 1.765 3.732 0.092 1 0 "[ . 1 . 2]" 1
971 1 14 ARG H 1 61 THR MG 4.890 . 5.040 3.882 3.505 4.148 . 0 0 "[ . 1 . 2]" 1
972 1 14 ARG HA 1 61 THR MG 5.130 . 5.280 4.122 3.857 4.342 . 0 0 "[ . 1 . 2]" 1
973 1 14 ARG HB3 1 61 THR HA 4.830 . 4.970 4.206 3.782 4.730 . 0 0 "[ . 1 . 2]" 1
974 1 14 ARG HB3 1 61 THR MG 3.530 . 3.640 2.700 2.407 3.095 . 0 0 "[ . 1 . 2]" 1
975 1 15 LYS H 1 61 THR HA 4.640 . 4.780 4.283 3.942 4.496 . 0 0 "[ . 1 . 2]" 1
976 1 15 LYS H 1 61 THR MG 4.110 . 4.230 3.285 2.844 3.676 . 0 0 "[ . 1 . 2]" 1
977 1 15 LYS HA 1 61 THR H 4.880 . 5.030 4.161 3.897 4.451 . 0 0 "[ . 1 . 2]" 1
978 1 15 LYS HA 1 61 THR HA 3.260 . 3.360 1.842 1.734 2.089 0.066 3 0 "[ . 1 . 2]" 1
979 1 15 LYS HA 1 61 THR HB 5.150 . 5.300 4.349 3.953 4.542 . 0 0 "[ . 1 . 2]" 1
980 1 15 LYS HA 1 61 THR MG 3.440 . 3.540 2.650 2.291 3.130 . 0 0 "[ . 1 . 2]" 1
981 1 15 LYS HB2 1 61 THR HA 4.960 . 5.110 3.705 3.320 4.010 . 0 0 "[ . 1 . 2]" 1
982 1 15 LYS HB2 1 61 THR MG 4.310 . 4.440 2.701 2.330 3.127 . 0 0 "[ . 1 . 2]" 1
983 1 15 LYS HG2 1 61 THR HA 5.360 . 5.520 4.337 3.896 4.972 . 0 0 "[ . 1 . 2]" 1
984 1 15 LYS QB 1 61 THR HA 4.330 . 4.460 3.575 3.235 3.855 . 0 0 "[ . 1 . 2]" 1
985 1 15 LYS QB 1 61 THR MG 3.630 . 3.740 2.663 2.310 3.068 . 0 0 "[ . 1 . 2]" 1
986 1 15 LYS QG 1 61 THR HA 4.660 . 4.800 3.250 2.900 3.757 . 0 0 "[ . 1 . 2]" 1
987 1 16 LEU H 1 61 THR H 4.920 . 5.070 4.427 4.169 4.694 . 0 0 "[ . 1 . 2]" 1
988 1 16 LEU H 1 61 THR HA 3.680 . 3.790 3.037 2.631 3.328 . 0 0 "[ . 1 . 2]" 1
989 1 40 LEU HA 1 61 THR HB 5.060 . 5.210 4.708 4.523 4.942 . 0 0 "[ . 1 . 2]" 1
990 1 40 LEU HB3 1 61 THR HB 5.180 . 5.340 4.896 4.614 5.115 . 0 0 "[ . 1 . 2]" 1
991 1 40 LEU MD1 1 61 THR H 5.500 . 5.660 4.411 3.560 5.098 . 0 0 "[ . 1 . 2]" 1
992 1 40 LEU MD2 1 61 THR H 5.500 . 5.660 3.936 3.227 5.599 . 0 0 "[ . 1 . 2]" 1
993 1 40 LEU QD 1 61 THR H 4.180 . 4.310 3.487 3.157 4.053 . 0 0 "[ . 1 . 2]" 1
994 1 40 LEU QD 1 61 THR HB 5.440 . 5.600 4.888 4.566 5.548 . 0 0 "[ . 1 . 2]" 1
995 1 41 THR H 1 61 THR H 4.950 . 5.100 4.578 4.409 4.853 . 0 0 "[ . 1 . 2]" 1
996 1 41 THR H 1 61 THR MG 4.450 . 4.580 4.056 3.647 4.331 . 0 0 "[ . 1 . 2]" 1
997 1 41 THR HA 1 61 THR HB 5.500 . 5.660 5.449 5.244 5.667 0.007 12 0 "[ . 1 . 2]" 1
998 1 41 THR HB 1 61 THR HB 5.500 . 5.660 4.896 4.677 5.293 . 0 0 "[ . 1 . 2]" 1
999 1 41 THR HB 1 61 THR MG 5.420 . 5.580 4.754 4.290 5.113 . 0 0 "[ . 1 . 2]" 1
1000 1 42 ASP H 1 61 THR H 3.350 . 3.450 3.152 3.029 3.441 . 0 0 "[ . 1 . 2]" 1
1001 1 42 ASP H 1 61 THR HA 4.970 . 5.120 4.734 4.605 4.866 . 0 0 "[ . 1 . 2]" 1
1002 1 42 ASP H 1 61 THR HB 2.930 . 3.020 2.483 2.180 2.707 . 0 0 "[ . 1 . 2]" 1
1003 1 42 ASP H 1 61 THR MG 4.200 . 4.330 3.887 3.643 4.121 . 0 0 "[ . 1 . 2]" 1
1004 1 42 ASP HA 1 61 THR H 5.000 . 5.150 4.611 4.478 4.777 . 0 0 "[ . 1 . 2]" 1
1005 1 42 ASP HB3 1 61 THR H 4.190 . 4.320 3.346 2.764 4.340 0.020 14 0 "[ . 1 . 2]" 1
1006 1 42 ASP HB3 1 61 THR HB 3.690 . 3.800 2.080 1.645 3.516 0.155 15 0 "[ . 1 . 2]" 1
1007 1 42 ASP HB3 1 61 THR MG 4.360 . 4.490 3.306 2.725 4.421 . 0 0 "[ . 1 . 2]" 1
1008 1 43 CYS HA 1 61 THR H 3.580 . 3.690 3.169 2.832 3.446 . 0 0 "[ . 1 . 2]" 1
1009 1 43 CYS HA 1 61 THR HB 5.500 . 5.660 5.262 4.822 5.520 . 0 0 "[ . 1 . 2]" 1
1010 1 43 CYS QB 1 61 THR H 4.210 . 4.340 3.984 3.422 4.355 0.015 13 0 "[ . 1 . 2]" 1
1011 1 44 VAL H 1 61 THR H 5.000 . 5.150 4.974 4.693 5.183 0.033 14 0 "[ . 1 . 2]" 1
1012 1 44 VAL QG 1 61 THR H 5.260 . 5.420 4.971 4.587 5.428 0.008 15 0 "[ . 1 . 2]" 1
1013 1 60 VAL H 1 61 THR H 4.360 . 4.490 3.974 3.825 4.205 . 0 0 "[ . 1 . 2]" 1
1014 1 60 VAL H 1 61 THR HA 4.550 . 4.690 4.505 4.391 4.596 . 0 0 "[ . 1 . 2]" 1
1015 1 60 VAL HA 1 61 THR H 2.770 . 2.850 2.120 2.088 2.188 . 0 0 "[ . 1 . 2]" 1
1016 1 60 VAL HA 1 61 THR HA 5.000 . 5.150 4.382 4.361 4.408 . 0 0 "[ . 1 . 2]" 1
1017 1 60 VAL HA 1 61 THR HB 4.910 . 5.060 4.772 4.651 4.921 . 0 0 "[ . 1 . 2]" 1
1018 1 60 VAL HA 1 61 THR MG 5.500 . 5.660 5.428 5.365 5.481 . 0 0 "[ . 1 . 2]" 1
1019 1 60 VAL HB 1 61 THR H 4.230 . 4.360 3.850 3.573 4.461 0.101 16 0 "[ . 1 . 2]" 1
1020 1 60 VAL MG1 1 61 THR H 4.410 . 4.540 3.887 3.539 4.428 . 0 0 "[ . 1 . 2]" 1
1021 1 60 VAL MG1 1 61 THR HA 5.360 . 5.520 5.021 4.164 5.465 . 0 0 "[ . 1 . 2]" 1
1022 1 60 VAL MG2 1 61 THR H 4.410 . 4.540 3.795 2.619 4.363 . 0 0 "[ . 1 . 2]" 1
1023 1 60 VAL MG2 1 61 THR HA 5.360 . 5.520 4.294 3.531 4.750 . 0 0 "[ . 1 . 2]" 1
1024 1 60 VAL QG 1 61 THR H 3.360 . 3.460 3.240 2.591 3.508 0.048 7 0 "[ . 1 . 2]" 1
1025 1 60 VAL QG 1 61 THR HA 4.600 . 4.740 4.054 3.350 4.460 . 0 0 "[ . 1 . 2]" 1
1026 1 61 THR H 1 61 THR HB 3.060 . 3.150 2.683 2.576 2.826 . 0 0 "[ . 1 . 2]" 1
1027 1 61 THR H 1 61 THR MG 4.030 . 4.150 3.831 3.794 3.904 . 0 0 "[ . 1 . 2]" 1
1028 1 61 THR HA 1 61 THR MG 3.000 . 3.090 2.297 2.243 2.362 . 0 0 "[ . 1 . 2]" 1
1029 1 16 LEU H 1 62 TYR QD 5.250 . 5.410 4.058 3.566 4.578 . 0 0 "[ . 1 . 2]" 1
1030 1 16 LEU QD 1 62 TYR QD 3.310 . 3.410 3.269 3.094 3.439 0.029 14 0 "[ . 1 . 2]" 1
1031 1 16 LEU QD 1 62 TYR QE 2.670 . 2.750 1.926 1.702 2.422 0.098 12 0 "[ . 1 . 2]" 1
1032 1 34 PHE HA 1 62 TYR QE 5.250 . 5.410 4.557 4.445 4.709 . 0 0 "[ . 1 . 2]" 1
1033 1 34 PHE HB3 1 62 TYR QE 3.430 . 3.530 3.473 3.338 3.544 0.014 19 0 "[ . 1 . 2]" 1
1034 1 34 PHE QD 1 62 TYR QE 3.300 . 3.400 2.972 2.611 3.301 . 0 0 "[ . 1 . 2]" 1
1035 1 35 GLU HA 1 62 TYR QE 3.780 . 3.890 3.588 3.340 3.860 . 0 0 "[ . 1 . 2]" 1
1036 1 36 GLN H 1 62 TYR QE 5.380 . 5.540 4.609 4.253 4.862 . 0 0 "[ . 1 . 2]" 1
1037 1 37 TRP HE3 1 62 TYR QE 4.400 . 4.530 4.436 4.246 4.632 0.102 10 0 "[ . 1 . 2]" 1
1038 1 38 GLY H 1 62 TYR QD 4.690 . 4.830 4.395 4.219 4.548 . 0 0 "[ . 1 . 2]" 1
1039 1 38 GLY H 1 62 TYR QE 3.080 . 3.170 2.979 2.762 3.132 . 0 0 "[ . 1 . 2]" 1
1040 1 38 GLY QA 1 62 TYR QD 3.520 . 3.630 2.099 1.881 2.268 . 0 0 "[ . 1 . 2]" 1
1041 1 38 GLY QA 1 62 TYR QE 3.920 . 4.040 2.440 2.265 2.670 . 0 0 "[ . 1 . 2]" 1
1042 1 39 THR H 1 62 TYR HA 4.530 . 4.670 4.270 3.961 4.697 0.027 20 0 "[ . 1 . 2]" 1
1043 1 39 THR H 1 62 TYR HB3 4.450 . 4.580 3.788 3.551 4.009 . 0 0 "[ . 1 . 2]" 1
1044 1 39 THR H 1 62 TYR QD 2.810 . 2.890 2.538 2.195 2.838 . 0 0 "[ . 1 . 2]" 1
1045 1 39 THR H 1 62 TYR QE 4.240 . 4.370 4.090 3.721 4.358 . 0 0 "[ . 1 . 2]" 1
1046 1 39 THR HB 1 62 TYR HA 5.500 . 5.660 4.822 4.573 5.045 . 0 0 "[ . 1 . 2]" 1
1047 1 39 THR HB 1 62 TYR QD 4.920 . 5.070 4.568 4.417 4.665 . 0 0 "[ . 1 . 2]" 1
1048 1 39 THR MG 1 62 TYR HA 4.370 . 4.500 4.471 4.359 4.536 0.036 14 0 "[ . 1 . 2]" 1
1049 1 39 THR MG 1 62 TYR QD 5.080 . 5.230 5.084 4.881 5.219 . 0 0 "[ . 1 . 2]" 1
1050 1 40 LEU H 1 62 TYR HA 4.280 . 4.410 4.446 4.384 4.482 0.072 10 0 "[ . 1 . 2]" 1
1051 1 40 LEU H 1 62 TYR QD 5.110 . 5.260 4.841 4.605 5.024 . 0 0 "[ . 1 . 2]" 1
1052 1 40 LEU H 1 62 TYR QE 5.300 . 5.460 5.278 5.035 5.473 0.013 4 0 "[ . 1 . 2]" 1
1053 1 40 LEU HA 1 62 TYR HA 3.290 . 3.390 2.169 2.048 2.294 . 0 0 "[ . 1 . 2]" 1
1054 1 40 LEU HA 1 62 TYR HB3 5.080 . 5.230 4.632 4.465 4.794 . 0 0 "[ . 1 . 2]" 1
1055 1 40 LEU HA 1 62 TYR QD 4.400 . 4.530 4.161 4.002 4.297 . 0 0 "[ . 1 . 2]" 1
1056 1 40 LEU HB3 1 62 TYR HA 4.260 . 4.390 4.323 4.047 4.456 0.066 14 0 "[ . 1 . 2]" 1
1057 1 40 LEU HG 1 62 TYR HA 4.800 . 4.940 4.461 3.654 5.020 0.080 5 0 "[ . 1 . 2]" 1
1058 1 40 LEU HG 1 62 TYR QE 4.750 . 4.890 4.331 3.853 4.928 0.038 17 0 "[ . 1 . 2]" 1
1059 1 40 LEU MD1 1 62 TYR QE 4.150 . 4.270 3.710 2.549 4.341 0.071 15 0 "[ . 1 . 2]" 1
1060 1 40 LEU MD2 1 62 TYR QE 4.150 . 4.270 3.229 2.721 4.321 0.051 1 0 "[ . 1 . 2]" 1
1061 1 40 LEU QD 1 62 TYR HA 3.100 . 3.190 2.638 2.318 3.166 . 0 0 "[ . 1 . 2]" 1
1062 1 40 LEU QD 1 62 TYR HB3 4.940 . 5.090 4.025 3.751 4.317 . 0 0 "[ . 1 . 2]" 1
1063 1 40 LEU QD 1 62 TYR QD 3.020 . 3.110 2.827 2.719 2.929 . 0 0 "[ . 1 . 2]" 1
1064 1 40 LEU QD 1 62 TYR QE 2.860 . 2.950 2.714 2.531 2.837 . 0 0 "[ . 1 . 2]" 1
1065 1 41 THR H 1 62 TYR HA 3.410 . 3.510 2.959 2.767 3.120 . 0 0 "[ . 1 . 2]" 1
1066 1 41 THR H 1 62 TYR QD 5.500 . 5.660 5.350 5.185 5.476 . 0 0 "[ . 1 . 2]" 1
1067 1 41 THR MG 1 62 TYR HA 3.740 . 3.850 3.882 3.686 3.925 0.075 15 0 "[ . 1 . 2]" 1
1068 1 41 THR MG 1 62 TYR QD 5.500 . 5.660 5.591 5.467 5.648 . 0 0 "[ . 1 . 2]" 1
1069 1 42 ASP H 1 62 TYR HA 4.730 . 4.870 4.532 4.268 4.736 . 0 0 "[ . 1 . 2]" 1
1070 1 60 VAL HB 1 62 TYR QE 5.070 . 5.220 4.195 3.132 5.270 0.050 16 0 "[ . 1 . 2]" 1
1071 1 60 VAL MG1 1 62 TYR QD 5.140 . 5.290 4.771 3.522 5.406 0.116 3 0 "[ . 1 . 2]" 1
1072 1 60 VAL MG1 1 62 TYR QE 4.620 . 4.760 3.980 2.592 4.748 . 0 0 "[ . 1 . 2]" 1
1073 1 60 VAL MG2 1 62 TYR QD 5.140 . 5.290 3.634 2.780 4.240 . 0 0 "[ . 1 . 2]" 1
1074 1 60 VAL MG2 1 62 TYR QE 4.620 . 4.760 2.868 2.251 3.370 . 0 0 "[ . 1 . 2]" 1
1075 1 60 VAL QG 1 62 TYR QD 4.000 . 4.120 3.507 2.726 4.083 . 0 0 "[ . 1 . 2]" 1
1076 1 60 VAL QG 1 62 TYR QE 3.210 . 3.310 2.752 2.196 3.301 . 0 0 "[ . 1 . 2]" 1
1077 1 61 THR H 1 62 TYR HA 5.370 . 5.530 4.971 4.727 5.075 . 0 0 "[ . 1 . 2]" 1
1078 1 61 THR HA 1 62 TYR HA 4.790 . 4.930 4.384 4.342 4.410 . 0 0 "[ . 1 . 2]" 1
1079 1 61 THR HA 1 62 TYR QD 4.160 . 4.280 3.727 3.522 3.966 . 0 0 "[ . 1 . 2]" 1
1080 1 61 THR MG 1 62 TYR HA 4.700 . 4.840 4.287 4.039 4.422 . 0 0 "[ . 1 . 2]" 1
1081 1 61 THR MG 1 62 TYR QD 5.410 . 5.570 4.821 4.618 5.030 . 0 0 "[ . 1 . 2]" 1
1082 1 62 TYR HA 1 62 TYR QD 3.130 . 3.220 3.010 2.938 3.060 . 0 0 "[ . 1 . 2]" 1
1083 1 62 TYR HA 1 62 TYR QE 4.650 . 4.790 4.588 4.551 4.616 . 0 0 "[ . 1 . 2]" 1
1084 1 39 THR H 1 63 ALA MB 3.380 . 3.480 3.418 3.207 3.552 0.072 15 0 "[ . 1 . 2]" 1
1085 1 39 THR HB 1 63 ALA H 4.160 . 4.280 3.296 2.935 3.591 . 0 0 "[ . 1 . 2]" 1
1086 1 39 THR HB 1 63 ALA MB 2.750 . 2.830 2.202 1.922 2.523 . 0 0 "[ . 1 . 2]" 1
1087 1 39 THR MG 1 63 ALA H 3.850 . 3.970 3.926 3.809 3.982 0.012 17 0 "[ . 1 . 2]" 1
1088 1 39 THR MG 1 63 ALA HA 4.170 . 4.300 4.283 4.091 4.348 0.048 15 0 "[ . 1 . 2]" 1
1089 1 39 THR MG 1 63 ALA MB 2.530 . 2.610 2.661 2.563 2.718 0.108 11 0 "[ . 1 . 2]" 1
1090 1 40 LEU HA 1 63 ALA H 4.110 . 4.230 4.052 3.859 4.187 . 0 0 "[ . 1 . 2]" 1
1091 1 40 LEU QD 1 63 ALA H 4.270 . 4.400 4.328 3.997 4.450 0.050 19 0 "[ . 1 . 2]" 1
1092 1 40 LEU QD 1 63 ALA MB 5.280 . 5.440 5.103 4.736 5.282 . 0 0 "[ . 1 . 2]" 1
1093 1 41 THR H 1 63 ALA H 4.330 . 4.460 4.121 3.953 4.260 . 0 0 "[ . 1 . 2]" 1
1094 1 41 THR H 1 63 ALA HA 4.640 . 4.780 4.095 3.897 4.273 . 0 0 "[ . 1 . 2]" 1
1095 1 41 THR HB 1 63 ALA HA 4.960 . 5.110 4.658 4.301 4.917 . 0 0 "[ . 1 . 2]" 1
1096 1 41 THR HB 1 63 ALA MB 5.460 . 5.620 5.140 4.915 5.333 . 0 0 "[ . 1 . 2]" 1
1097 1 41 THR MG 1 63 ALA H 3.590 . 3.700 3.472 3.345 3.567 . 0 0 "[ . 1 . 2]" 1
1098 1 41 THR MG 1 63 ALA HA 2.680 . 2.760 2.158 1.951 2.347 . 0 0 "[ . 1 . 2]" 1
1099 1 41 THR MG 1 63 ALA MB 2.810 . 2.890 2.525 2.304 2.695 . 0 0 "[ . 1 . 2]" 1
1100 1 62 TYR HA 1 63 ALA H 2.710 . 2.790 2.523 2.391 2.605 . 0 0 "[ . 1 . 2]" 1
1101 1 62 TYR HA 1 63 ALA HA 4.590 . 4.730 4.293 4.253 4.326 . 0 0 "[ . 1 . 2]" 1
1102 1 62 TYR HA 1 63 ALA MB 4.190 . 4.320 4.136 4.093 4.168 . 0 0 "[ . 1 . 2]" 1
1103 1 62 TYR HB3 1 63 ALA H 3.140 . 3.230 2.156 2.012 2.369 . 0 0 "[ . 1 . 2]" 1
1104 1 62 TYR HB3 1 63 ALA HA 4.530 . 4.670 4.573 4.498 4.676 0.006 10 0 "[ . 1 . 2]" 1
1105 1 62 TYR HB3 1 63 ALA MB 3.870 . 3.990 3.838 3.750 3.948 . 0 0 "[ . 1 . 2]" 1
1106 1 62 TYR QD 1 63 ALA H 3.160 . 3.250 3.252 3.082 3.343 0.093 10 0 "[ . 1 . 2]" 1
1107 1 62 TYR QD 1 63 ALA MB 4.550 . 4.690 4.489 4.319 4.542 . 0 0 "[ . 1 . 2]" 1
1108 1 62 TYR QE 1 63 ALA H 5.480 . 5.640 5.474 5.342 5.549 . 0 0 "[ . 1 . 2]" 1
1109 1 63 ALA H 1 63 ALA MB 2.470 . 2.540 2.252 2.235 2.267 . 0 0 "[ . 1 . 2]" 1
1110 1 14 ARG HG2 1 64 THR HA 5.190 . 5.350 3.509 2.603 3.984 . 0 0 "[ . 1 . 2]" 1
1111 1 14 ARG QD 1 64 THR H 4.500 . 4.640 4.185 3.677 4.658 0.018 13 0 "[ . 1 . 2]" 1
1112 1 14 ARG QD 1 64 THR HA 3.770 . 3.880 2.591 2.159 2.950 . 0 0 "[ . 1 . 2]" 1
1113 1 14 ARG QG 1 64 THR HA 4.380 . 4.510 3.428 2.573 3.880 . 0 0 "[ . 1 . 2]" 1
1114 1 39 THR H 1 64 THR H 5.230 . 5.390 4.687 4.517 5.071 . 0 0 "[ . 1 . 2]" 1
1115 1 39 THR HB 1 64 THR MG 5.500 . 5.660 5.060 4.849 5.291 . 0 0 "[ . 1 . 2]" 1
1116 1 41 THR MG 1 64 THR H 4.770 . 4.910 4.855 4.704 4.973 0.063 7 0 "[ . 1 . 2]" 1
1117 1 62 TYR HA 1 64 THR H 4.380 . 4.510 4.320 4.104 4.461 . 0 0 "[ . 1 . 2]" 1
1118 1 62 TYR HB3 1 64 THR H 3.110 . 3.200 2.526 2.412 2.650 . 0 0 "[ . 1 . 2]" 1
1119 1 62 TYR HB3 1 64 THR MG 4.140 . 4.260 4.031 3.900 4.114 . 0 0 "[ . 1 . 2]" 1
1120 1 62 TYR QD 1 64 THR H 4.290 . 4.420 4.340 4.236 4.427 0.007 20 0 "[ . 1 . 2]" 1
1121 1 63 ALA H 1 64 THR H 3.070 . 3.160 2.410 2.290 2.554 . 0 0 "[ . 1 . 2]" 1
1122 1 63 ALA H 1 64 THR MG 3.790 . 3.900 3.904 3.766 3.968 0.068 9 0 "[ . 1 . 2]" 1
1123 1 63 ALA HA 1 64 THR H 3.500 . 3.600 3.475 3.420 3.507 . 0 0 "[ . 1 . 2]" 1
1124 1 63 ALA HA 1 64 THR HA 4.720 . 4.860 4.519 4.492 4.548 . 0 0 "[ . 1 . 2]" 1
1125 1 63 ALA HA 1 64 THR MG 4.600 . 4.740 4.639 4.509 4.751 0.011 16 0 "[ . 1 . 2]" 1
1126 1 63 ALA MB 1 64 THR H 3.090 . 3.180 2.690 2.554 2.870 . 0 0 "[ . 1 . 2]" 1
1127 1 63 ALA MB 1 64 THR HA 4.520 . 4.660 4.287 4.198 4.380 . 0 0 "[ . 1 . 2]" 1
1128 1 63 ALA MB 1 64 THR HB 4.070 . 4.190 3.765 3.594 3.889 . 0 0 "[ . 1 . 2]" 1
1129 1 63 ALA MB 1 64 THR MG 2.580 . 2.660 2.691 2.613 2.736 0.076 16 0 "[ . 1 . 2]" 1
1130 1 64 THR H 1 64 THR MG 2.880 . 2.970 2.353 2.237 2.513 . 0 0 "[ . 1 . 2]" 1
1131 1 64 THR HA 1 64 THR HB 2.880 . 2.970 2.396 2.360 2.430 . 0 0 "[ . 1 . 2]" 1
1132 1 64 THR HA 1 64 THR MG 3.240 . 3.340 3.206 3.196 3.213 . 0 0 "[ . 1 . 2]" 1
1133 1 14 ARG HA 1 65 VAL H 4.780 . 4.920 4.837 4.403 4.998 0.078 15 0 "[ . 1 . 2]" 1
1134 1 14 ARG HA 1 65 VAL HA 4.070 . 4.190 3.265 3.002 3.545 . 0 0 "[ . 1 . 2]" 1
1135 1 14 ARG HA 1 65 VAL HB 5.500 . 5.660 4.482 3.865 5.094 . 0 0 "[ . 1 . 2]" 1
1136 1 14 ARG HB3 1 65 VAL H 4.920 . 5.070 5.004 4.697 5.169 0.099 8 0 "[ . 1 . 2]" 1
1137 1 14 ARG HB3 1 65 VAL HA 5.360 . 5.520 4.521 4.273 4.795 . 0 0 "[ . 1 . 2]" 1
1138 1 14 ARG HB3 1 65 VAL QG 5.440 . 5.600 4.455 3.500 5.482 . 0 0 "[ . 1 . 2]" 1
1139 1 14 ARG QD 1 65 VAL H 3.770 . 3.880 3.697 3.201 3.946 0.066 17 0 "[ . 1 . 2]" 1
1140 1 14 ARG QD 1 65 VAL HA 4.920 . 5.070 4.678 4.244 5.032 . 0 0 "[ . 1 . 2]" 1
1141 1 14 ARG QD 1 65 VAL QG 4.250 . 4.380 3.737 2.979 4.452 0.072 3 0 "[ . 1 . 2]" 1
1142 1 14 ARG QG 1 65 VAL H 3.760 . 3.870 3.214 2.821 3.697 . 0 0 "[ . 1 . 2]" 1
1143 1 14 ARG QG 1 65 VAL HA 3.970 . 4.090 3.336 3.044 4.034 . 0 0 "[ . 1 . 2]" 1
1144 1 14 ARG QG 1 65 VAL HB 5.020 . 5.170 3.934 2.548 4.861 . 0 0 "[ . 1 . 2]" 1
1145 1 14 ARG QG 1 65 VAL QG 3.570 . 3.680 2.670 1.856 3.769 0.089 2 0 "[ . 1 . 2]" 1
1146 1 64 THR H 1 65 VAL H 4.360 . 4.490 4.356 4.322 4.400 . 0 0 "[ . 1 . 2]" 1
1147 1 64 THR HA 1 65 VAL H 2.620 . 2.700 2.360 2.280 2.576 . 0 0 "[ . 1 . 2]" 1
1148 1 64 THR HA 1 65 VAL HA 4.530 . 4.670 4.274 4.205 4.334 . 0 0 "[ . 1 . 2]" 1
1149 1 64 THR HA 1 65 VAL QG 3.890 . 4.010 3.576 3.357 3.939 . 0 0 "[ . 1 . 2]" 1
1150 1 64 THR HB 1 65 VAL QG 4.330 . 4.460 4.422 4.326 4.530 0.070 13 0 "[ . 1 . 2]" 1
1151 1 64 THR MG 1 65 VAL H 3.780 . 3.890 3.631 3.177 3.833 . 0 0 "[ . 1 . 2]" 1
1152 1 64 THR MG 1 65 VAL QG 4.010 . 4.130 3.896 3.670 4.109 . 0 0 "[ . 1 . 2]" 1
1153 1 65 VAL H 1 65 VAL QG 2.530 . 2.610 1.849 1.798 1.991 0.002 11 0 "[ . 1 . 2]" 1
1154 1 65 VAL HA 1 65 VAL QG 3.080 . 3.170 2.298 2.233 2.400 . 0 0 "[ . 1 . 2]" 1
1155 1 64 THR H 1 66 GLU H 5.500 . 5.660 4.767 4.631 5.142 . 0 0 "[ . 1 . 2]" 1
1156 1 64 THR HA 1 66 GLU H 4.700 . 4.840 4.184 3.955 4.689 . 0 0 "[ . 1 . 2]" 1
1157 1 64 THR HB 1 66 GLU HG2 5.500 . 5.660 4.729 3.930 5.762 0.102 6 0 "[ . 1 . 2]" 1
1158 1 64 THR MG 1 66 GLU H 3.300 . 3.400 2.629 2.269 2.886 . 0 0 "[ . 1 . 2]" 1
1159 1 64 THR MG 1 66 GLU HA 4.790 . 4.930 4.397 4.105 4.760 . 0 0 "[ . 1 . 2]" 1
1160 1 64 THR MG 1 66 GLU HG2 4.920 . 5.070 2.966 1.802 4.052 . 0 0 "[ . 1 . 2]" 1
1161 1 64 THR MG 1 66 GLU QB 4.250 . 4.380 2.601 1.954 3.904 . 0 0 "[ . 1 . 2]" 1
1162 1 65 VAL H 1 66 GLU H 2.960 . 3.050 2.699 2.510 2.816 . 0 0 "[ . 1 . 2]" 1
1163 1 65 VAL H 1 66 GLU HA 5.500 . 5.660 5.256 5.076 5.342 . 0 0 "[ . 1 . 2]" 1
1164 1 65 VAL H 1 66 GLU QB 5.340 . 5.500 4.840 4.619 5.129 . 0 0 "[ . 1 . 2]" 1
1165 1 65 VAL H 1 66 GLU QG 4.530 . 4.670 3.989 3.557 4.241 . 0 0 "[ . 1 . 2]" 1
1166 1 65 VAL HA 1 66 GLU HA 5.120 . 5.270 4.822 4.693 4.906 . 0 0 "[ . 1 . 2]" 1
1167 1 65 VAL HB 1 66 GLU H 4.230 . 4.360 4.001 3.803 4.156 . 0 0 "[ . 1 . 2]" 1
1168 1 65 VAL QG 1 66 GLU H 2.870 . 2.960 2.333 2.150 2.537 . 0 0 "[ . 1 . 2]" 1
1169 1 65 VAL QG 1 66 GLU HA 4.000 . 4.120 3.199 3.011 3.408 . 0 0 "[ . 1 . 2]" 1
1170 1 65 VAL QG 1 66 GLU QB 4.090 . 4.210 3.665 3.067 4.067 . 0 0 "[ . 1 . 2]" 1
1171 1 65 VAL QG 1 66 GLU QG 3.600 . 3.710 2.928 2.471 3.749 0.039 9 0 "[ . 1 . 2]" 1
1172 1 66 GLU H 1 66 GLU HA 2.930 . 3.020 2.805 2.774 2.855 . 0 0 "[ . 1 . 2]" 1
1173 1 66 GLU H 1 66 GLU HB2 3.670 . 3.780 2.861 2.430 3.627 . 0 0 "[ . 1 . 2]" 1
1174 1 66 GLU H 1 66 GLU HG2 3.500 . 3.600 2.199 1.861 3.137 . 0 0 "[ . 1 . 2]" 1
1175 1 66 GLU H 1 66 GLU QB 2.830 . 2.910 2.528 2.391 2.730 . 0 0 "[ . 1 . 2]" 1
1176 1 66 GLU HA 1 66 GLU HG2 3.870 . 3.990 3.224 2.655 3.789 . 0 0 "[ . 1 . 2]" 1
1177 1 66 GLU QB 1 66 GLU QG 2.340 . 2.410 2.027 1.983 2.083 . 0 0 "[ . 1 . 2]" 1
1178 1 37 TRP HB3 1 67 GLU HA 5.500 . 5.660 4.460 4.180 4.918 . 0 0 "[ . 1 . 2]" 1
1179 1 38 GLY H 1 67 GLU QB 5.370 . 5.530 4.358 4.206 4.520 . 0 0 "[ . 1 . 2]" 1
1180 1 38 GLY QA 1 67 GLU HG3 4.310 . 4.440 3.945 3.478 4.120 . 0 0 "[ . 1 . 2]" 1
1181 1 38 GLY QA 1 67 GLU QB 3.750 . 3.860 1.805 1.720 1.963 0.080 13 0 "[ . 1 . 2]" 1
1182 1 39 THR H 1 67 GLU HA 5.500 . 5.660 5.517 4.938 5.672 0.012 1 0 "[ . 1 . 2]" 1
1183 1 39 THR H 1 67 GLU HG3 4.220 . 4.350 4.164 2.833 4.385 0.035 15 0 "[ . 1 . 2]" 1
1184 1 39 THR H 1 67 GLU QB 4.120 . 4.240 3.192 2.972 3.302 . 0 0 "[ . 1 . 2]" 1
1185 1 62 TYR HB3 1 67 GLU HG3 4.760 . 4.900 3.332 2.523 3.510 . 0 0 "[ . 1 . 2]" 1
1186 1 62 TYR HB3 1 67 GLU QB 4.160 . 4.280 1.942 1.737 2.100 0.063 10 0 "[ . 1 . 2]" 1
1187 1 62 TYR QD 1 67 GLU H 5.290 . 5.450 4.880 4.786 4.998 . 0 0 "[ . 1 . 2]" 1
1188 1 62 TYR QD 1 67 GLU QB 3.270 . 3.370 2.079 1.894 2.242 . 0 0 "[ . 1 . 2]" 1
1189 1 62 TYR QE 1 67 GLU QB 4.840 . 4.990 3.136 3.039 3.350 . 0 0 "[ . 1 . 2]" 1
1190 1 63 ALA H 1 67 GLU H 5.500 . 5.660 5.400 5.191 5.606 . 0 0 "[ . 1 . 2]" 1
1191 1 63 ALA H 1 67 GLU HG3 3.870 . 3.990 3.863 2.439 4.045 0.055 8 0 "[ . 1 . 2]" 1
1192 1 63 ALA H 1 67 GLU QB 5.270 . 5.430 3.485 3.227 3.622 . 0 0 "[ . 1 . 2]" 1
1193 1 64 THR H 1 67 GLU HA 5.500 . 5.660 5.671 5.457 5.730 0.070 18 0 "[ . 1 . 2]" 1
1194 1 64 THR H 1 67 GLU HG3 3.320 . 3.420 2.700 2.411 2.813 . 0 0 "[ . 1 . 2]" 1
1195 1 64 THR H 1 67 GLU QB 3.670 . 3.780 3.170 2.945 3.337 . 0 0 "[ . 1 . 2]" 1
1196 1 64 THR HA 1 67 GLU HG3 5.030 . 5.180 4.766 4.677 5.197 0.017 20 0 "[ . 1 . 2]" 1
1197 1 64 THR HB 1 67 GLU HG3 4.990 . 5.140 4.420 4.254 4.935 . 0 0 "[ . 1 . 2]" 1
1198 1 64 THR MG 1 67 GLU HA 4.620 . 4.760 4.260 4.066 4.439 . 0 0 "[ . 1 . 2]" 1
1199 1 64 THR MG 1 67 GLU HG3 4.380 . 4.510 1.859 1.748 2.664 0.052 7 0 "[ . 1 . 2]" 1
1200 1 64 THR MG 1 67 GLU QB 5.170 . 5.330 3.412 3.248 3.482 . 0 0 "[ . 1 . 2]" 1
1201 1 65 VAL QG 1 67 GLU H 4.390 . 4.520 4.186 3.961 4.343 . 0 0 "[ . 1 . 2]" 1
1202 1 66 GLU H 1 67 GLU HA 5.500 . 5.660 5.268 5.142 5.344 . 0 0 "[ . 1 . 2]" 1
1203 1 66 GLU H 1 67 GLU HG3 5.500 . 5.660 4.157 3.911 5.484 . 0 0 "[ . 1 . 2]" 1
1204 1 66 GLU QG 1 67 GLU H 4.340 . 4.470 3.578 2.402 4.134 . 0 0 "[ . 1 . 2]" 1
1205 1 67 GLU H 1 67 GLU QB 3.020 . 3.110 2.571 2.537 2.612 . 0 0 "[ . 1 . 2]" 1
1206 1 67 GLU HA 1 67 GLU HG3 3.960 . 4.080 3.421 3.324 3.884 . 0 0 "[ . 1 . 2]" 1
1207 1 14 ARG H 1 68 VAL MG2 5.250 . 5.410 4.771 4.514 5.031 . 0 0 "[ . 1 . 2]" 1
1208 1 14 ARG HA 1 68 VAL H 5.500 . 5.660 5.330 4.823 5.664 0.004 18 0 "[ . 1 . 2]" 1
1209 1 14 ARG HA 1 68 VAL HB 4.310 . 4.440 4.221 3.945 4.515 0.075 18 0 "[ . 1 . 2]" 1
1210 1 14 ARG HA 1 68 VAL MG1 4.420 . 4.550 4.068 3.852 4.238 . 0 0 "[ . 1 . 2]" 1
1211 1 14 ARG HA 1 68 VAL MG2 3.080 . 3.170 2.464 2.202 2.759 . 0 0 "[ . 1 . 2]" 1
1212 1 14 ARG HB3 1 68 VAL MG2 4.270 . 4.400 3.669 3.420 3.813 . 0 0 "[ . 1 . 2]" 1
1213 1 14 ARG QG 1 68 VAL MG2 4.620 . 4.760 3.957 3.627 4.259 . 0 0 "[ . 1 . 2]" 1
1214 1 15 LYS H 1 68 VAL MG2 4.390 . 4.520 4.203 3.852 4.433 . 0 0 "[ . 1 . 2]" 1
1215 1 16 LEU H 1 68 VAL MG2 4.970 . 5.120 3.956 3.571 4.265 . 0 0 "[ . 1 . 2]" 1
1216 1 16 LEU HA 1 68 VAL MG1 4.620 . 4.760 3.862 3.556 4.104 . 0 0 "[ . 1 . 2]" 1
1217 1 16 LEU HB3 1 68 VAL MG2 5.360 . 5.520 4.580 4.246 4.760 . 0 0 "[ . 1 . 2]" 1
1218 1 16 LEU MD1 1 68 VAL HA 4.280 . 4.410 3.284 2.679 3.795 . 0 0 "[ . 1 . 2]" 1
1219 1 16 LEU MD1 1 68 VAL HB 5.090 . 5.240 4.501 4.169 4.803 . 0 0 "[ . 1 . 2]" 1
1220 1 16 LEU MD1 1 68 VAL MG1 2.860 . 2.950 2.084 1.760 2.625 0.040 18 0 "[ . 1 . 2]" 1
1221 1 16 LEU MD1 1 68 VAL MG2 3.510 . 3.620 2.944 2.632 3.143 . 0 0 "[ . 1 . 2]" 1
1222 1 16 LEU MD2 1 68 VAL HA 4.280 . 4.410 3.435 2.825 4.194 . 0 0 "[ . 1 . 2]" 1
1223 1 16 LEU MD2 1 68 VAL HB 5.090 . 5.240 4.933 4.641 5.217 . 0 0 "[ . 1 . 2]" 1
1224 1 16 LEU MD2 1 68 VAL MG1 2.860 . 2.950 2.544 1.989 2.980 0.030 13 0 "[ . 1 . 2]" 1
1225 1 16 LEU MD2 1 68 VAL MG2 3.510 . 3.620 3.301 2.867 3.621 0.001 4 0 "[ . 1 . 2]" 1
1226 1 16 LEU QD 1 68 VAL H 5.440 . 5.600 4.868 4.762 4.972 . 0 0 "[ . 1 . 2]" 1
1227 1 16 LEU QD 1 68 VAL HA 3.250 . 3.350 2.798 2.648 2.982 . 0 0 "[ . 1 . 2]" 1
1228 1 16 LEU QD 1 68 VAL MG1 2.300 . 2.370 1.857 1.737 2.079 0.063 17 0 "[ . 1 . 2]" 1
1229 1 16 LEU QD 1 68 VAL MG2 2.770 . 2.850 2.747 2.434 2.913 0.063 4 0 "[ . 1 . 2]" 1
1230 1 17 PHE H 1 68 VAL MG1 5.420 . 5.580 5.356 5.098 5.593 0.013 14 0 "[ . 1 . 2]" 1
1231 1 18 ILE MD 1 68 VAL MG1 5.500 . 5.660 5.289 5.066 5.531 . 0 0 "[ . 1 . 2]" 1
1232 1 18 ILE MD 1 68 VAL MG2 5.470 . 5.630 5.514 5.363 5.661 0.031 13 0 "[ . 1 . 2]" 1
1233 1 60 VAL QG 1 68 VAL MG1 5.440 . 5.600 4.980 4.512 5.364 . 0 0 "[ . 1 . 2]" 1
1234 1 60 VAL QG 1 68 VAL MG2 4.640 . 4.780 4.255 3.666 4.759 . 0 0 "[ . 1 . 2]" 1
1235 1 61 THR HA 1 68 VAL MG2 4.530 . 4.670 4.036 3.702 4.389 . 0 0 "[ . 1 . 2]" 1
1236 1 62 TYR HA 1 68 VAL MG2 4.350 . 4.480 4.476 4.290 4.550 0.070 10 0 "[ . 1 . 2]" 1
1237 1 62 TYR HB3 1 68 VAL HB 5.340 . 5.500 5.489 5.413 5.529 0.029 20 0 "[ . 1 . 2]" 1
1238 1 62 TYR HB3 1 68 VAL MG2 3.720 . 3.830 3.345 3.240 3.566 . 0 0 "[ . 1 . 2]" 1
1239 1 62 TYR QD 1 68 VAL HA 3.370 . 3.470 3.189 2.929 3.409 . 0 0 "[ . 1 . 2]" 1
1240 1 62 TYR QD 1 68 VAL MG1 4.160 . 4.280 3.975 3.755 4.135 . 0 0 "[ . 1 . 2]" 1
1241 1 62 TYR QD 1 68 VAL MG2 2.600 . 2.680 1.992 1.851 2.151 . 0 0 "[ . 1 . 2]" 1
1242 1 62 TYR QE 1 68 VAL H 5.450 . 5.610 5.077 4.930 5.224 . 0 0 "[ . 1 . 2]" 1
1243 1 62 TYR QE 1 68 VAL HA 3.540 . 3.650 3.301 3.004 3.552 . 0 0 "[ . 1 . 2]" 1
1244 1 62 TYR QE 1 68 VAL MG1 4.560 . 4.700 4.257 3.975 4.443 . 0 0 "[ . 1 . 2]" 1
1245 1 62 TYR QE 1 68 VAL MG2 3.580 . 3.690 3.335 3.204 3.451 . 0 0 "[ . 1 . 2]" 1
1246 1 64 THR H 1 68 VAL H 4.470 . 4.600 4.582 4.408 4.659 0.059 8 0 "[ . 1 . 2]" 1
1247 1 64 THR H 1 68 VAL MG2 4.460 . 4.590 4.470 4.235 4.634 0.044 12 0 "[ . 1 . 2]" 1
1248 1 65 VAL H 1 68 VAL H 5.050 . 5.200 5.036 4.872 5.177 . 0 0 "[ . 1 . 2]" 1
1249 1 65 VAL H 1 68 VAL HB 5.350 . 5.510 5.263 4.985 5.490 . 0 0 "[ . 1 . 2]" 1
1250 1 65 VAL HA 1 68 VAL H 3.510 . 3.620 3.188 2.886 3.429 . 0 0 "[ . 1 . 2]" 1
1251 1 65 VAL HA 1 68 VAL HA 5.380 . 5.540 5.119 4.719 5.432 . 0 0 "[ . 1 . 2]" 1
1252 1 65 VAL HA 1 68 VAL HB 3.210 . 3.310 2.561 2.226 2.836 . 0 0 "[ . 1 . 2]" 1
1253 1 65 VAL HA 1 68 VAL MG1 3.960 . 4.080 3.930 3.688 4.145 0.065 11 0 "[ . 1 . 2]" 1
1254 1 65 VAL HA 1 68 VAL MG2 3.380 . 3.480 2.779 2.471 3.116 . 0 0 "[ . 1 . 2]" 1
1255 1 65 VAL HB 1 68 VAL H 5.500 . 5.660 5.189 4.737 5.717 0.057 11 0 "[ . 1 . 2]" 1
1256 1 65 VAL HB 1 68 VAL HB 4.850 . 5.000 4.060 3.247 4.907 . 0 0 "[ . 1 . 2]" 1
1257 1 65 VAL QG 1 68 VAL H 5.160 . 5.310 4.297 3.992 4.527 . 0 0 "[ . 1 . 2]" 1
1258 1 66 GLU HA 1 68 VAL H 4.600 . 4.740 4.416 4.051 4.585 . 0 0 "[ . 1 . 2]" 1
1259 1 66 GLU HA 1 68 VAL HB 5.500 . 5.660 5.010 4.558 5.299 . 0 0 "[ . 1 . 2]" 1
1260 1 66 GLU QB 1 68 VAL H 5.340 . 5.500 4.851 4.553 5.334 . 0 0 "[ . 1 . 2]" 1
1261 1 67 GLU H 1 68 VAL HB 4.940 . 5.090 4.417 4.217 4.586 . 0 0 "[ . 1 . 2]" 1
1262 1 67 GLU H 1 68 VAL MG2 4.800 . 4.940 4.164 4.018 4.301 . 0 0 "[ . 1 . 2]" 1
1263 1 67 GLU HA 1 68 VAL HA 5.450 . 5.610 4.851 4.811 4.877 . 0 0 "[ . 1 . 2]" 1
1264 1 67 GLU HG3 1 68 VAL H 4.860 . 5.010 3.985 3.793 4.625 . 0 0 "[ . 1 . 2]" 1
1265 1 67 GLU QB 1 68 VAL H 4.030 . 4.150 2.571 2.449 2.680 . 0 0 "[ . 1 . 2]" 1
1266 1 67 GLU QB 1 68 VAL MG2 5.500 . 5.660 3.416 3.171 3.557 . 0 0 "[ . 1 . 2]" 1
1267 1 68 VAL H 1 68 VAL HB 2.840 . 2.930 2.392 2.339 2.471 . 0 0 "[ . 1 . 2]" 1
1268 1 68 VAL H 1 68 VAL MG1 3.800 . 3.910 3.739 3.712 3.760 . 0 0 "[ . 1 . 2]" 1
1269 1 68 VAL H 1 68 VAL MG2 2.760 . 2.840 2.327 2.239 2.425 . 0 0 "[ . 1 . 2]" 1
1270 1 68 VAL HA 1 68 VAL MG1 2.700 . 2.780 2.533 2.458 2.573 . 0 0 "[ . 1 . 2]" 1
1271 1 68 VAL HA 1 68 VAL MG2 2.740 . 2.820 2.275 2.250 2.303 . 0 0 "[ . 1 . 2]" 1
1272 1 16 LEU QD 1 69 ASP H 5.440 . 5.600 4.944 4.782 5.104 . 0 0 "[ . 1 . 2]" 1
1273 1 65 VAL HA 1 69 ASP H 4.420 . 4.550 4.201 4.030 4.445 . 0 0 "[ . 1 . 2]" 1
1274 1 65 VAL QG 1 69 ASP H 5.320 . 5.480 4.156 3.435 4.663 . 0 0 "[ . 1 . 2]" 1
1275 1 65 VAL QG 1 69 ASP QB 5.280 . 5.440 4.016 3.191 4.743 . 0 0 "[ . 1 . 2]" 1
1276 1 66 GLU H 1 69 ASP H 5.010 . 5.160 4.809 4.633 4.993 . 0 0 "[ . 1 . 2]" 1
1277 1 66 GLU H 1 69 ASP QB 5.040 . 5.190 4.993 4.633 5.199 0.009 16 0 "[ . 1 . 2]" 1
1278 1 66 GLU HA 1 69 ASP H 3.860 . 3.980 3.482 2.909 3.834 . 0 0 "[ . 1 . 2]" 1
1279 1 66 GLU HA 1 69 ASP QB 3.080 . 3.170 2.780 2.307 3.172 0.002 2 0 "[ . 1 . 2]" 1
1280 1 67 GLU H 1 69 ASP H 4.450 . 4.580 4.018 3.699 4.198 . 0 0 "[ . 1 . 2]" 1
1281 1 67 GLU HA 1 69 ASP H 5.100 . 5.250 4.392 4.202 4.592 . 0 0 "[ . 1 . 2]" 1
1282 1 68 VAL H 1 69 ASP H 2.990 . 3.080 2.750 2.624 2.819 . 0 0 "[ . 1 . 2]" 1
1283 1 68 VAL H 1 69 ASP HA 5.500 . 5.660 5.338 5.247 5.391 . 0 0 "[ . 1 . 2]" 1
1284 1 68 VAL H 1 69 ASP QB 5.110 . 5.260 4.507 4.320 4.703 . 0 0 "[ . 1 . 2]" 1
1285 1 68 VAL HA 1 69 ASP QB 5.340 . 5.500 5.276 5.168 5.448 . 0 0 "[ . 1 . 2]" 1
1286 1 68 VAL HB 1 69 ASP H 2.850 . 2.940 2.543 2.426 2.637 . 0 0 "[ . 1 . 2]" 1
1287 1 68 VAL HB 1 69 ASP HA 4.670 . 4.810 4.445 4.329 4.514 . 0 0 "[ . 1 . 2]" 1
1288 1 68 VAL HB 1 69 ASP QB 4.410 . 4.540 4.274 4.111 4.583 0.043 18 0 "[ . 1 . 2]" 1
1289 1 68 VAL MG1 1 69 ASP H 2.990 . 3.080 3.037 2.904 3.110 0.030 7 0 "[ . 1 . 2]" 1
1290 1 68 VAL MG1 1 69 ASP HA 3.630 . 3.740 3.120 3.000 3.250 . 0 0 "[ . 1 . 2]" 1
1291 1 68 VAL MG1 1 69 ASP QB 4.310 . 4.440 4.059 3.785 4.440 0.000 8 0 "[ . 1 . 2]" 1
1292 1 68 VAL MG2 1 69 ASP H 4.110 . 4.230 3.920 3.845 3.966 . 0 0 "[ . 1 . 2]" 1
1293 1 69 ASP H 1 69 ASP HB2 3.500 . 3.600 2.442 2.279 2.671 . 0 0 "[ . 1 . 2]" 1
1294 1 69 ASP H 1 69 ASP QB 2.720 . 2.800 2.271 2.190 2.362 . 0 0 "[ . 1 . 2]" 1
1295 1 37 TRP HA 1 70 ALA MB 3.910 . 4.030 3.717 3.416 3.988 . 0 0 "[ . 1 . 2]" 1
1296 1 37 TRP HB3 1 70 ALA H 5.010 . 5.160 4.735 4.579 4.959 . 0 0 "[ . 1 . 2]" 1
1297 1 37 TRP HB3 1 70 ALA MB 3.110 . 3.200 2.177 2.016 2.313 . 0 0 "[ . 1 . 2]" 1
1298 1 66 GLU HA 1 70 ALA H 4.430 . 4.560 4.357 4.047 4.604 0.044 13 0 "[ . 1 . 2]" 1
1299 1 66 GLU HA 1 70 ALA MB 5.040 . 5.190 5.019 4.644 5.232 0.042 20 0 "[ . 1 . 2]" 1
1300 1 66 GLU QB 1 70 ALA MB 5.340 . 5.500 4.594 4.333 4.803 . 0 0 "[ . 1 . 2]" 1
1301 1 67 GLU HA 1 70 ALA H 3.920 . 4.040 3.270 3.002 3.663 . 0 0 "[ . 1 . 2]" 1
1302 1 67 GLU HA 1 70 ALA MB 3.150 . 3.240 2.631 2.410 3.094 . 0 0 "[ . 1 . 2]" 1
1303 1 68 VAL H 1 70 ALA H 4.540 . 4.680 4.133 3.968 4.343 . 0 0 "[ . 1 . 2]" 1
1304 1 68 VAL H 1 70 ALA MB 5.180 . 5.340 4.811 4.636 5.037 . 0 0 "[ . 1 . 2]" 1
1305 1 68 VAL HA 1 70 ALA H 4.590 . 4.730 4.397 4.264 4.528 . 0 0 "[ . 1 . 2]" 1
1306 1 68 VAL HA 1 70 ALA MB 5.090 . 5.240 4.882 4.754 5.023 . 0 0 "[ . 1 . 2]" 1
1307 1 68 VAL HB 1 70 ALA H 5.200 . 5.360 5.019 4.817 5.211 . 0 0 "[ . 1 . 2]" 1
1308 1 68 VAL MG1 1 70 ALA H 4.810 . 4.950 4.807 4.652 4.909 . 0 0 "[ . 1 . 2]" 1
1309 1 68 VAL MG1 1 70 ALA MB 5.500 . 5.660 5.640 5.567 5.709 0.049 13 0 "[ . 1 . 2]" 1
1310 1 69 ASP H 1 70 ALA H 3.030 . 3.120 2.752 2.668 2.832 . 0 0 "[ . 1 . 2]" 1
1311 1 69 ASP HB2 1 70 ALA H 3.950 . 4.070 3.489 2.612 3.990 . 0 0 "[ . 1 . 2]" 1
1312 1 69 ASP QB 1 70 ALA H 3.340 . 3.440 2.594 2.370 2.826 . 0 0 "[ . 1 . 2]" 1
1313 1 70 ALA H 1 70 ALA HA 2.940 . 3.030 2.811 2.789 2.829 . 0 0 "[ . 1 . 2]" 1
1314 1 70 ALA H 1 70 ALA MB 2.400 . 2.470 2.240 2.228 2.253 . 0 0 "[ . 1 . 2]" 1
1315 1 16 LEU MD1 1 71 ALA H 5.500 . 5.660 4.999 3.948 5.712 0.052 1 0 "[ . 1 . 2]" 1
1316 1 16 LEU MD2 1 71 ALA H 5.500 . 5.660 4.958 4.369 5.709 0.049 19 0 "[ . 1 . 2]" 1
1317 1 16 LEU QD 1 71 ALA H 4.290 . 4.420 4.177 3.877 4.411 . 0 0 "[ . 1 . 2]" 1
1318 1 16 LEU QD 1 71 ALA HA 4.750 . 4.890 4.489 4.231 4.714 . 0 0 "[ . 1 . 2]" 1
1319 1 16 LEU QD 1 71 ALA MB 2.780 . 2.860 2.165 1.842 2.386 . 0 0 "[ . 1 . 2]" 1
1320 1 34 PHE HB3 1 71 ALA MB 4.580 . 4.720 4.284 4.041 4.447 . 0 0 "[ . 1 . 2]" 1
1321 1 34 PHE QD 1 71 ALA MB 3.000 . 3.090 2.754 2.532 3.000 . 0 0 "[ . 1 . 2]" 1
1322 1 34 PHE QE 1 71 ALA HA 5.500 . 5.660 5.364 5.060 5.648 . 0 0 "[ . 1 . 2]" 1
1323 1 34 PHE QE 1 71 ALA MB 3.240 . 3.340 3.090 2.788 3.299 . 0 0 "[ . 1 . 2]" 1
1324 1 36 GLN H 1 71 ALA MB 5.500 . 5.660 5.688 5.616 5.713 0.053 20 0 "[ . 1 . 2]" 1
1325 1 37 TRP HA 1 71 ALA MB 5.500 . 5.660 5.246 5.022 5.492 . 0 0 "[ . 1 . 2]" 1
1326 1 37 TRP HB3 1 71 ALA H 3.770 . 3.880 3.444 3.202 3.678 . 0 0 "[ . 1 . 2]" 1
1327 1 37 TRP HB3 1 71 ALA HA 4.540 . 4.680 3.405 3.193 3.568 . 0 0 "[ . 1 . 2]" 1
1328 1 37 TRP HB3 1 71 ALA MB 3.880 . 4.000 3.502 3.269 3.768 . 0 0 "[ . 1 . 2]" 1
1329 1 37 TRP HE3 1 71 ALA MB 3.680 . 3.790 3.615 3.402 3.788 . 0 0 "[ . 1 . 2]" 1
1330 1 38 GLY H 1 71 ALA MB 5.500 . 5.660 5.411 4.954 5.667 0.007 1 0 "[ . 1 . 2]" 1
1331 1 40 LEU QD 1 71 ALA MB 4.540 . 4.680 4.379 4.229 4.558 . 0 0 "[ . 1 . 2]" 1
1332 1 60 VAL QG 1 71 ALA MB 4.770 . 4.910 4.162 3.785 4.530 . 0 0 "[ . 1 . 2]" 1
1333 1 62 TYR QD 1 71 ALA MB 4.170 . 4.300 4.215 4.097 4.343 0.043 15 0 "[ . 1 . 2]" 1
1334 1 62 TYR QE 1 71 ALA H 4.950 . 5.100 4.752 4.637 4.912 . 0 0 "[ . 1 . 2]" 1
1335 1 62 TYR QE 1 71 ALA HA 5.490 . 5.650 5.219 5.106 5.398 . 0 0 "[ . 1 . 2]" 1
1336 1 62 TYR QE 1 71 ALA MB 3.010 . 3.100 2.897 2.724 3.008 . 0 0 "[ . 1 . 2]" 1
1337 1 67 GLU HA 1 71 ALA H 4.750 . 4.890 4.260 4.125 4.556 . 0 0 "[ . 1 . 2]" 1
1338 1 68 VAL H 1 71 ALA MB 5.010 . 5.160 4.891 4.814 5.030 . 0 0 "[ . 1 . 2]" 1
1339 1 68 VAL HA 1 71 ALA H 3.530 . 3.640 3.499 3.360 3.592 . 0 0 "[ . 1 . 2]" 1
1340 1 68 VAL HA 1 71 ALA MB 2.990 . 3.080 2.830 2.708 3.017 . 0 0 "[ . 1 . 2]" 1
1341 1 68 VAL MG1 1 71 ALA H 4.570 . 4.710 4.615 4.512 4.700 . 0 0 "[ . 1 . 2]" 1
1342 1 68 VAL MG1 1 71 ALA MB 3.770 . 3.880 3.685 3.546 3.840 . 0 0 "[ . 1 . 2]" 1
1343 1 68 VAL MG2 1 71 ALA H 5.270 . 5.430 5.199 5.068 5.277 . 0 0 "[ . 1 . 2]" 1
1344 1 69 ASP HA 1 71 ALA H 4.540 . 4.680 4.398 4.300 4.531 . 0 0 "[ . 1 . 2]" 1
1345 1 69 ASP HA 1 71 ALA MB 4.920 . 5.070 4.928 4.739 5.042 . 0 0 "[ . 1 . 2]" 1
1346 1 69 ASP QB 1 71 ALA H 5.330 . 5.490 4.749 4.589 4.852 . 0 0 "[ . 1 . 2]" 1
1347 1 70 ALA H 1 71 ALA H 2.900 . 2.990 2.678 2.613 2.756 . 0 0 "[ . 1 . 2]" 1
1348 1 70 ALA H 1 71 ALA HA 5.500 . 5.660 5.293 5.238 5.354 . 0 0 "[ . 1 . 2]" 1
1349 1 70 ALA H 1 71 ALA MB 4.470 . 4.600 4.360 4.303 4.453 . 0 0 "[ . 1 . 2]" 1
1350 1 70 ALA HA 1 71 ALA MB 5.280 . 5.440 5.029 5.018 5.038 . 0 0 "[ . 1 . 2]" 1
1351 1 70 ALA MB 1 71 ALA H 2.830 . 2.910 2.545 2.440 2.622 . 0 0 "[ . 1 . 2]" 1
1352 1 70 ALA MB 1 71 ALA HA 4.060 . 4.180 3.865 3.798 3.907 . 0 0 "[ . 1 . 2]" 1
1353 1 70 ALA MB 1 71 ALA MB 3.800 . 3.910 3.723 3.659 3.766 . 0 0 "[ . 1 . 2]" 1
1354 1 71 ALA H 1 71 ALA MB 2.500 . 2.570 2.242 2.232 2.250 . 0 0 "[ . 1 . 2]" 1
1355 1 16 LEU HA 1 72 MET ME 4.800 . 4.940 4.072 3.887 4.412 . 0 0 "[ . 1 . 2]" 1
1356 1 16 LEU MD1 1 72 MET H 4.560 . 4.700 4.227 3.476 4.734 0.034 1 0 "[ . 1 . 2]" 1
1357 1 16 LEU MD1 1 72 MET HA 5.040 . 5.190 4.395 3.971 4.794 . 0 0 "[ . 1 . 2]" 1
1358 1 16 LEU MD1 1 72 MET HB2 5.310 . 5.470 5.031 4.813 5.233 . 0 0 "[ . 1 . 2]" 1
1359 1 16 LEU MD1 1 72 MET HG3 3.820 . 3.930 3.134 2.830 3.378 . 0 0 "[ . 1 . 2]" 1
1360 1 16 LEU MD1 1 72 MET ME 3.600 . 3.710 2.589 1.847 3.618 . 0 0 "[ . 1 . 2]" 1
1361 1 16 LEU MD2 1 72 MET H 4.560 . 4.700 4.204 3.781 4.692 . 0 0 "[ . 1 . 2]" 1
1362 1 16 LEU MD2 1 72 MET HA 5.040 . 5.190 4.193 3.820 4.664 . 0 0 "[ . 1 . 2]" 1
1363 1 16 LEU MD2 1 72 MET HB2 5.310 . 5.470 5.126 4.822 5.453 . 0 0 "[ . 1 . 2]" 1
1364 1 16 LEU MD2 1 72 MET HG3 3.820 . 3.930 3.294 2.793 3.767 . 0 0 "[ . 1 . 2]" 1
1365 1 16 LEU MD2 1 72 MET ME 3.600 . 3.710 2.907 1.802 3.733 0.023 5 0 "[ . 1 . 2]" 1
1366 1 16 LEU QD 1 72 MET H 3.810 . 3.920 3.655 3.364 3.880 . 0 0 "[ . 1 . 2]" 1
1367 1 16 LEU QD 1 72 MET HA 4.260 . 4.390 3.791 3.588 3.995 . 0 0 "[ . 1 . 2]" 1
1368 1 16 LEU QD 1 72 MET HB2 4.680 . 4.820 4.518 4.292 4.712 . 0 0 "[ . 1 . 2]" 1
1369 1 16 LEU QD 1 72 MET HG3 3.220 . 3.320 2.826 2.555 3.115 . 0 0 "[ . 1 . 2]" 1
1370 1 16 LEU QD 1 72 MET ME 2.630 . 2.710 1.930 1.796 2.099 0.004 16 0 "[ . 1 . 2]" 1
1371 1 17 PHE H 1 72 MET ME 5.330 . 5.490 4.669 4.452 5.002 . 0 0 "[ . 1 . 2]" 1
1372 1 68 VAL HA 1 72 MET H 4.760 . 4.900 4.297 4.178 4.446 . 0 0 "[ . 1 . 2]" 1
1373 1 68 VAL MG1 1 72 MET H 3.980 . 4.100 4.026 3.910 4.113 0.013 17 0 "[ . 1 . 2]" 1
1374 1 68 VAL MG1 1 72 MET HA 5.500 . 5.660 5.180 5.025 5.314 . 0 0 "[ . 1 . 2]" 1
1375 1 68 VAL MG1 1 72 MET HB2 4.950 . 5.100 4.239 4.033 4.434 . 0 0 "[ . 1 . 2]" 1
1376 1 68 VAL MG1 1 72 MET HG3 3.490 . 3.590 2.574 2.414 2.670 . 0 0 "[ . 1 . 2]" 1
1377 1 68 VAL MG1 1 72 MET ME 3.220 . 3.320 2.039 1.924 2.253 . 0 0 "[ . 1 . 2]" 1
1378 1 68 VAL MG2 1 72 MET HG3 4.990 . 5.140 4.863 4.737 5.054 . 0 0 "[ . 1 . 2]" 1
1379 1 68 VAL MG2 1 72 MET ME 4.440 . 4.570 4.033 3.896 4.212 . 0 0 "[ . 1 . 2]" 1
1380 1 69 ASP HA 1 72 MET H 3.450 . 3.550 3.331 3.062 3.529 . 0 0 "[ . 1 . 2]" 1
1381 1 69 ASP HA 1 72 MET HG3 4.110 . 4.230 2.914 2.441 3.280 . 0 0 "[ . 1 . 2]" 1
1382 1 69 ASP HA 1 72 MET ME 4.210 . 4.340 4.220 3.875 4.411 0.071 20 0 "[ . 1 . 2]" 1
1383 1 70 ALA H 1 72 MET H 4.230 . 4.360 4.003 3.843 4.161 . 0 0 "[ . 1 . 2]" 1
1384 1 70 ALA HA 1 72 MET H 4.330 . 4.460 4.274 4.114 4.448 . 0 0 "[ . 1 . 2]" 1
1385 1 70 ALA MB 1 72 MET H 4.630 . 4.770 4.434 4.302 4.536 . 0 0 "[ . 1 . 2]" 1
1386 1 71 ALA H 1 72 MET H 2.920 . 3.010 2.574 2.500 2.673 . 0 0 "[ . 1 . 2]" 1
1387 1 71 ALA H 1 72 MET HA 5.390 . 5.550 5.203 5.143 5.281 . 0 0 "[ . 1 . 2]" 1
1388 1 71 ALA HA 1 72 MET HA 5.180 . 5.340 4.758 4.729 4.798 . 0 0 "[ . 1 . 2]" 1
1389 1 71 ALA MB 1 72 MET H 2.980 . 3.070 2.649 2.544 2.728 . 0 0 "[ . 1 . 2]" 1
1390 1 71 ALA MB 1 72 MET HB2 5.150 . 5.300 4.692 4.602 4.755 . 0 0 "[ . 1 . 2]" 1
1391 1 71 ALA MB 1 72 MET HG3 4.270 . 4.400 3.569 3.429 3.706 . 0 0 "[ . 1 . 2]" 1
1392 1 71 ALA MB 1 72 MET ME 4.750 . 4.890 4.739 4.643 4.866 . 0 0 "[ . 1 . 2]" 1
1393 1 72 MET H 1 72 MET HB2 3.640 . 3.750 2.481 2.441 2.541 . 0 0 "[ . 1 . 2]" 1
1394 1 72 MET H 1 72 MET HG3 3.310 . 3.410 2.398 2.274 2.483 . 0 0 "[ . 1 . 2]" 1
1395 1 72 MET HA 1 72 MET HG3 3.790 . 3.900 3.224 3.104 3.358 . 0 0 "[ . 1 . 2]" 1
1396 1 72 MET ME 1 72 MET HG3 3.140 . 3.230 2.639 2.580 2.713 . 0 0 "[ . 1 . 2]" 1
1397 1 69 ASP HA 1 73 ASN H 4.310 . 4.440 4.144 3.958 4.310 . 0 0 "[ . 1 . 2]" 1
1398 1 69 ASP HA 1 73 ASN QD 3.700 . 3.810 3.787 3.636 3.984 0.174 7 0 "[ . 1 . 2]" 1
1399 1 69 ASP QB 1 73 ASN QD 3.550 . 3.660 3.245 2.374 3.732 0.072 3 0 "[ . 1 . 2]" 1
1400 1 70 ALA H 1 73 ASN H 4.660 . 4.800 4.682 4.569 4.805 0.005 13 0 "[ . 1 . 2]" 1
1401 1 70 ALA H 1 73 ASN QB 5.160 . 5.310 5.050 4.916 5.220 . 0 0 "[ . 1 . 2]" 1
1402 1 70 ALA H 1 73 ASN QD 3.960 . 4.080 3.947 3.846 4.119 0.039 18 0 "[ . 1 . 2]" 1
1403 1 70 ALA HA 1 73 ASN H 3.670 . 3.780 3.369 3.222 3.542 . 0 0 "[ . 1 . 2]" 1
1404 1 70 ALA HA 1 73 ASN HD21 3.780 . 3.890 2.413 2.171 2.609 . 0 0 "[ . 1 . 2]" 1
1405 1 70 ALA HA 1 73 ASN HD22 3.780 . 3.890 3.850 3.348 3.969 0.079 16 0 "[ . 1 . 2]" 1
1406 1 70 ALA HA 1 73 ASN QB 3.170 . 3.270 2.673 2.476 2.867 . 0 0 "[ . 1 . 2]" 1
1407 1 70 ALA HA 1 73 ASN QD 3.300 . 3.400 2.389 2.151 2.572 . 0 0 "[ . 1 . 2]" 1
1408 1 70 ALA MB 1 73 ASN H 4.610 . 4.750 4.533 4.418 4.637 . 0 0 "[ . 1 . 2]" 1
1409 1 70 ALA MB 1 73 ASN QB 4.090 . 4.210 3.978 3.773 4.181 . 0 0 "[ . 1 . 2]" 1
1410 1 70 ALA MB 1 73 ASN QD 3.760 . 3.870 3.859 3.561 3.931 0.061 13 0 "[ . 1 . 2]" 1
1411 1 71 ALA H 1 73 ASN QD 5.340 . 5.500 4.884 4.654 5.315 . 0 0 "[ . 1 . 2]" 1
1412 1 71 ALA HA 1 73 ASN H 5.260 . 5.420 4.323 3.987 4.576 . 0 0 "[ . 1 . 2]" 1
1413 1 71 ALA MB 1 73 ASN H 4.650 . 4.790 4.541 4.385 4.675 . 0 0 "[ . 1 . 2]" 1
1414 1 72 MET H 1 73 ASN H 3.350 . 3.450 2.578 2.501 2.668 . 0 0 "[ . 1 . 2]" 1
1415 1 72 MET H 1 73 ASN QB 4.730 . 4.870 4.553 4.438 4.684 . 0 0 "[ . 1 . 2]" 1
1416 1 72 MET H 1 73 ASN QD 5.230 . 5.390 4.355 3.982 5.006 . 0 0 "[ . 1 . 2]" 1
1417 1 72 MET HB2 1 73 ASN H 4.040 . 4.160 2.685 2.498 2.980 . 0 0 "[ . 1 . 2]" 1
1418 1 72 MET HG3 1 73 ASN H 4.580 . 4.720 4.345 4.253 4.460 . 0 0 "[ . 1 . 2]" 1
1419 1 73 ASN H 1 73 ASN HB2 3.630 . 3.740 2.404 2.308 2.555 . 0 0 "[ . 1 . 2]" 1
1420 1 73 ASN H 1 73 ASN HD21 4.230 . 4.360 2.847 2.355 3.674 . 0 0 "[ . 1 . 2]" 1
1421 1 73 ASN H 1 73 ASN HD22 4.230 . 4.360 3.879 3.679 4.182 . 0 0 "[ . 1 . 2]" 1
1422 1 73 ASN H 1 73 ASN QB 2.910 . 3.000 2.370 2.281 2.505 . 0 0 "[ . 1 . 2]" 1
1423 1 73 ASN H 1 73 ASN QD 3.670 . 3.780 2.746 2.330 3.450 . 0 0 "[ . 1 . 2]" 1
1424 1 73 ASN HB2 1 73 ASN HD22 3.960 . 4.080 3.466 3.457 3.485 . 0 0 "[ . 1 . 2]" 1
1425 1 73 ASN QB 1 73 ASN QD 2.700 . 2.780 2.140 2.104 2.185 . 0 0 "[ . 1 . 2]" 1
1426 1 37 TRP HB3 1 74 ALA MB 4.870 . 5.020 4.280 3.985 4.545 . 0 0 "[ . 1 . 2]" 1
1427 1 37 TRP HH2 1 74 ALA MB 4.490 . 4.620 3.896 3.685 4.143 . 0 0 "[ . 1 . 2]" 1
1428 1 37 TRP HZ2 1 74 ALA HA 5.450 . 5.610 4.804 4.434 5.136 . 0 0 "[ . 1 . 2]" 1
1429 1 37 TRP HZ2 1 74 ALA MB 2.950 . 3.040 2.718 2.523 2.861 . 0 0 "[ . 1 . 2]" 1
1430 1 37 TRP HZ3 1 74 ALA MB 5.270 . 5.430 4.581 4.277 4.936 . 0 0 "[ . 1 . 2]" 1
1431 1 70 ALA HA 1 74 ALA H 4.630 . 4.770 4.663 4.539 4.791 0.021 3 0 "[ . 1 . 2]" 1
1432 1 70 ALA MB 1 74 ALA H 5.290 . 5.450 5.072 4.982 5.189 . 0 0 "[ . 1 . 2]" 1
1433 1 70 ALA MB 1 74 ALA MB 4.120 . 4.240 4.266 4.180 4.340 0.100 15 0 "[ . 1 . 2]" 1
1434 1 71 ALA H 1 74 ALA MB 4.980 . 5.130 4.616 4.527 4.774 . 0 0 "[ . 1 . 2]" 1
1435 1 71 ALA HA 1 74 ALA H 4.000 . 4.120 3.409 3.167 3.593 . 0 0 "[ . 1 . 2]" 1
1436 1 71 ALA HA 1 74 ALA MB 3.370 . 3.470 2.498 2.295 2.740 . 0 0 "[ . 1 . 2]" 1
1437 1 71 ALA MB 1 74 ALA H 4.940 . 5.090 4.410 4.247 4.527 . 0 0 "[ . 1 . 2]" 1
1438 1 71 ALA MB 1 74 ALA MB 4.450 . 4.580 3.619 3.400 3.908 . 0 0 "[ . 1 . 2]" 1
1439 1 72 MET H 1 74 ALA H 3.900 . 4.020 3.795 3.672 3.955 . 0 0 "[ . 1 . 2]" 1
1440 1 72 MET HA 1 74 ALA H 4.590 . 4.730 3.710 3.556 3.883 . 0 0 "[ . 1 . 2]" 1
1441 1 72 MET HB2 1 74 ALA H 5.470 . 5.630 4.716 4.625 4.870 . 0 0 "[ . 1 . 2]" 1
1442 1 73 ASN H 1 74 ALA H 2.880 . 2.970 2.522 2.332 2.645 . 0 0 "[ . 1 . 2]" 1
1443 1 73 ASN H 1 74 ALA HA 5.250 . 5.410 5.095 4.942 5.217 . 0 0 "[ . 1 . 2]" 1
1444 1 73 ASN H 1 74 ALA MB 4.180 . 4.310 4.134 3.955 4.275 . 0 0 "[ . 1 . 2]" 1
1445 1 73 ASN HB2 1 74 ALA HA 5.010 . 5.160 4.531 4.379 4.694 . 0 0 "[ . 1 . 2]" 1
1446 1 73 ASN HB2 1 74 ALA MB 4.970 . 5.120 4.126 4.005 4.290 . 0 0 "[ . 1 . 2]" 1
1447 1 73 ASN QB 1 74 ALA H 3.550 . 3.660 3.123 2.975 3.306 . 0 0 "[ . 1 . 2]" 1
1448 1 73 ASN QB 1 74 ALA HA 4.240 . 4.370 3.995 3.882 4.163 . 0 0 "[ . 1 . 2]" 1
1449 1 73 ASN QB 1 74 ALA MB 4.150 . 4.270 3.890 3.795 4.028 . 0 0 "[ . 1 . 2]" 1
1450 1 73 ASN QD 1 74 ALA H 5.190 . 5.350 4.660 4.406 5.132 . 0 0 "[ . 1 . 2]" 1
1451 1 74 ALA H 1 74 ALA MB 2.540 . 2.620 2.275 2.251 2.316 . 0 0 "[ . 1 . 2]" 1
1452 1 73 ASN H 1 75 ARG H 4.940 . 5.090 4.299 4.010 4.606 . 0 0 "[ . 1 . 2]" 1
1453 1 73 ASN HB2 1 75 ARG H 5.480 . 5.640 5.085 4.887 5.210 . 0 0 "[ . 1 . 2]" 1
1454 1 74 ALA H 1 75 ARG H 3.100 . 3.190 2.567 2.356 2.835 . 0 0 "[ . 1 . 2]" 1
1455 1 74 ALA H 1 75 ARG HA 5.010 . 5.160 4.870 4.710 4.993 . 0 0 "[ . 1 . 2]" 1
1456 1 74 ALA HA 1 75 ARG H 3.500 . 3.600 3.205 3.022 3.374 . 0 0 "[ . 1 . 2]" 1
1457 1 74 ALA HA 1 75 ARG HA 5.260 . 5.420 4.712 4.570 4.869 . 0 0 "[ . 1 . 2]" 1
1458 1 74 ALA MB 1 75 ARG H 3.730 . 3.840 3.382 3.160 3.573 . 0 0 "[ . 1 . 2]" 1
1459 1 74 ALA MB 1 75 ARG HA 4.810 . 4.950 4.100 3.991 4.173 . 0 0 "[ . 1 . 2]" 1
1460 1 75 ARG H 1 76 PRO HA 4.700 . 4.840 4.864 4.689 4.963 0.123 19 0 "[ . 1 . 2]" 1
1461 1 18 ILE MG 1 77 HIS HB3 5.240 . 5.400 4.536 4.285 4.883 . 0 0 "[ . 1 . 2]" 1
1462 1 34 PHE HZ 1 77 HIS HB3 4.230 . 4.360 3.875 3.431 4.375 0.015 14 0 "[ . 1 . 2]" 1
1463 1 34 PHE QD 1 77 HIS HD2 4.880 . 5.030 4.417 4.191 4.653 . 0 0 "[ . 1 . 2]" 1
1464 1 34 PHE QE 1 77 HIS HB3 4.840 . 4.990 4.493 4.263 4.808 . 0 0 "[ . 1 . 2]" 1
1465 1 34 PHE QE 1 77 HIS HD2 3.530 . 3.640 3.407 3.156 3.611 . 0 0 "[ . 1 . 2]" 1
1466 1 36 GLN HE22 1 77 HIS HE1 4.400 . 4.530 4.485 4.233 4.590 0.060 2 0 "[ . 1 . 2]" 1
1467 1 37 TRP HE3 1 77 HIS HE1 5.090 . 5.240 4.558 4.160 5.090 . 0 0 "[ . 1 . 2]" 1
1468 1 37 TRP HH2 1 77 HIS HE1 3.810 . 3.920 3.857 3.551 3.963 0.043 20 0 "[ . 1 . 2]" 1
1469 1 37 TRP HZ3 1 77 HIS HE1 4.090 . 4.210 2.695 2.445 2.981 . 0 0 "[ . 1 . 2]" 1
1470 1 71 ALA MB 1 77 HIS HD2 4.770 . 4.910 3.007 2.655 3.387 . 0 0 "[ . 1 . 2]" 1
1471 1 72 MET HA 1 77 HIS HD2 4.580 . 4.720 4.738 4.545 4.813 0.093 13 0 "[ . 1 . 2]" 1
1472 1 74 ALA MB 1 77 HIS HD2 4.500 . 4.640 2.929 2.560 3.527 . 0 0 "[ . 1 . 2]" 1
1473 1 75 ARG H 1 77 HIS H 5.010 . 5.160 5.040 4.709 5.189 0.029 4 0 "[ . 1 . 2]" 1
1474 1 75 ARG HA 1 77 HIS H 3.640 . 3.750 2.358 2.041 2.597 . 0 0 "[ . 1 . 2]" 1
1475 1 75 ARG HA 1 77 HIS HB3 5.500 . 5.660 4.438 4.087 4.903 . 0 0 "[ . 1 . 2]" 1
1476 1 76 PRO HB2 1 77 HIS H 4.300 . 4.430 3.754 3.500 3.928 . 0 0 "[ . 1 . 2]" 1
1477 1 76 PRO HD2 1 77 HIS H 5.500 . 5.660 5.393 5.130 5.660 0.000 12 0 "[ . 1 . 2]" 1
1478 1 77 HIS H 1 77 HIS HB3 3.430 . 3.530 2.773 2.624 2.901 . 0 0 "[ . 1 . 2]" 1
1479 1 77 HIS H 1 77 HIS HD2 4.750 . 4.890 4.852 4.694 4.969 0.079 11 0 "[ . 1 . 2]" 1
1480 1 77 HIS HB3 1 77 HIS HD2 3.830 . 3.940 3.755 3.626 3.824 . 0 0 "[ . 1 . 2]" 1
1481 1 77 HIS HB3 1 77 HIS HE1 4.920 . 5.070 4.785 4.742 4.832 . 0 0 "[ . 1 . 2]" 1
1482 1 77 HIS H 1 78 LYS H 4.650 . 4.790 4.599 4.565 4.631 . 0 0 "[ . 1 . 2]" 1
1483 1 77 HIS HA 1 78 LYS H 2.990 . 3.080 2.360 2.211 2.494 . 0 0 "[ . 1 . 2]" 1
1484 1 77 HIS HB3 1 78 LYS H 3.830 . 3.940 3.421 3.131 3.948 0.008 11 0 "[ . 1 . 2]" 1
1485 1 77 HIS HD2 1 78 LYS H 5.430 . 5.590 4.666 4.421 5.142 . 0 0 "[ . 1 . 2]" 1
1486 1 77 HIS HE1 1 78 LYS H 3.900 . 4.020 3.651 3.448 4.075 0.055 11 0 "[ . 1 . 2]" 1
1487 1 78 LYS H 1 78 LYS HB2 3.420 . 3.520 3.247 3.040 3.376 . 0 0 "[ . 1 . 2]" 1
1488 1 78 LYS H 1 78 LYS QB 2.900 . 2.990 2.624 2.427 2.707 . 0 0 "[ . 1 . 2]" 1
1489 1 78 LYS H 1 78 LYS QD 4.870 . 5.020 4.617 4.503 4.732 . 0 0 "[ . 1 . 2]" 1
1490 1 78 LYS H 1 78 LYS QG 4.180 . 4.310 4.147 4.032 4.262 . 0 0 "[ . 1 . 2]" 1
1491 1 78 LYS HA 1 78 LYS QD 4.050 . 4.170 2.108 1.906 2.310 . 0 0 "[ . 1 . 2]" 1
1492 1 78 LYS HA 1 78 LYS QE 4.680 . 4.820 3.209 2.686 4.317 . 0 0 "[ . 1 . 2]" 1
1493 1 78 LYS HA 1 78 LYS QG 3.760 . 3.870 2.930 2.700 3.087 . 0 0 "[ . 1 . 2]" 1
1494 1 78 LYS HB2 1 78 LYS QE 3.780 . 3.890 2.203 1.945 3.290 . 0 0 "[ . 1 . 2]" 1
1495 1 78 LYS QB 1 78 LYS QD 3.340 . 3.440 2.652 2.314 2.794 . 0 0 "[ . 1 . 2]" 1
1496 1 78 LYS QE 1 78 LYS QG 3.130 . 3.220 2.582 2.220 2.809 . 0 0 "[ . 1 . 2]" 1
1497 1 18 ILE MG 1 79 VAL HB 5.500 . 5.660 4.539 3.845 4.974 . 0 0 "[ . 1 . 2]" 1
1498 1 18 ILE MG 1 79 VAL QG 3.500 . 3.600 2.817 2.503 3.020 . 0 0 "[ . 1 . 2]" 1
1499 1 21 LEU MD1 1 79 VAL QG 5.220 . 5.380 4.130 3.908 4.368 . 0 0 "[ . 1 . 2]" 1
1500 1 21 LEU MD2 1 79 VAL HB 5.230 . 5.390 5.035 4.093 5.483 0.093 10 0 "[ . 1 . 2]" 1
1501 1 21 LEU MD2 1 79 VAL QG 3.940 . 4.060 3.122 2.975 3.339 . 0 0 "[ . 1 . 2]" 1
1502 1 25 THR H 1 79 VAL QG 5.130 . 5.280 5.184 5.040 5.314 0.034 7 0 "[ . 1 . 2]" 1
1503 1 25 THR HA 1 79 VAL QG 3.730 . 3.840 3.819 3.666 3.917 0.077 14 0 "[ . 1 . 2]" 1
1504 1 25 THR HB 1 79 VAL QG 4.690 . 4.830 4.152 3.835 4.346 . 0 0 "[ . 1 . 2]" 1
1505 1 25 THR MG 1 79 VAL HB 5.150 . 5.300 4.217 3.381 4.798 . 0 0 "[ . 1 . 2]" 1
1506 1 25 THR MG 1 79 VAL MG1 3.880 . 4.000 2.727 2.011 3.334 . 0 0 "[ . 1 . 2]" 1
1507 1 25 THR MG 1 79 VAL MG2 3.880 . 4.000 2.780 2.053 4.018 0.018 2 0 "[ . 1 . 2]" 1
1508 1 25 THR MG 1 79 VAL QG 2.720 . 2.800 2.121 2.001 2.354 . 0 0 "[ . 1 . 2]" 1
1509 1 26 THR H 1 79 VAL QG 4.860 . 5.010 4.900 4.472 5.075 0.065 15 0 "[ . 1 . 2]" 1
1510 1 29 SER H 1 79 VAL QG 5.440 . 5.600 5.467 5.230 5.661 0.061 11 0 "[ . 1 . 2]" 1
1511 1 29 SER HA 1 79 VAL QG 5.200 . 5.360 4.718 4.316 5.161 . 0 0 "[ . 1 . 2]" 1
1512 1 30 LEU H 1 79 VAL QG 4.570 . 4.710 4.145 3.854 4.482 . 0 0 "[ . 1 . 2]" 1
1513 1 30 LEU QD 1 79 VAL QG 2.530 . 2.610 2.128 1.787 2.788 0.178 7 0 "[ . 1 . 2]" 1
1514 1 33 HIS H 1 79 VAL QG 4.610 . 4.750 3.782 3.486 4.064 . 0 0 "[ . 1 . 2]" 1
1515 1 33 HIS QB 1 79 VAL HA 4.500 . 4.640 2.951 2.187 3.438 . 0 0 "[ . 1 . 2]" 1
1516 1 33 HIS QB 1 79 VAL MG1 3.470 . 3.570 3.191 2.189 3.711 0.141 18 0 "[ . 1 . 2]" 1
1517 1 33 HIS QB 1 79 VAL MG2 3.470 . 3.570 2.221 1.823 2.668 . 0 0 "[ . 1 . 2]" 1
1518 1 33 HIS QB 1 79 VAL QG 3.020 . 3.110 2.159 1.737 2.605 0.063 14 0 "[ . 1 . 2]" 1
1519 1 34 PHE H 1 79 VAL QG 5.270 . 5.430 4.497 3.976 4.924 . 0 0 "[ . 1 . 2]" 1
1520 1 34 PHE QD 1 79 VAL MG1 4.030 . 4.150 3.874 3.660 4.155 0.005 3 0 "[ . 1 . 2]" 1
1521 1 34 PHE QD 1 79 VAL MG2 4.030 . 4.150 3.395 3.077 3.761 . 0 0 "[ . 1 . 2]" 1
1522 1 34 PHE QE 1 79 VAL HB 5.160 . 5.310 3.305 2.456 4.248 . 0 0 "[ . 1 . 2]" 1
1523 1 34 PHE QE 1 79 VAL MG1 3.680 . 3.790 2.464 1.890 3.448 . 0 0 "[ . 1 . 2]" 1
1524 1 34 PHE QE 1 79 VAL MG2 3.680 . 3.790 2.613 1.794 3.250 0.006 15 0 "[ . 1 . 2]" 1
1525 1 34 PHE QE 1 79 VAL QG 2.830 . 2.910 1.987 1.780 2.354 0.020 15 0 "[ . 1 . 2]" 1
1526 1 77 HIS HB3 1 79 VAL H 5.410 . 5.570 4.986 4.741 5.208 . 0 0 "[ . 1 . 2]" 1
1527 1 77 HIS HB3 1 79 VAL QG 3.630 . 3.740 3.767 3.710 3.815 0.075 16 0 "[ . 1 . 2]" 1
1528 1 77 HIS HE1 1 79 VAL HA 4.990 . 5.140 4.428 3.850 4.795 . 0 0 "[ . 1 . 2]" 1
1529 1 77 HIS HE1 1 79 VAL HB 4.570 . 4.710 3.841 3.171 4.938 0.228 11 0 "[ . 1 . 2]" 1
1530 1 77 HIS HE1 1 79 VAL QG 3.580 . 3.690 3.163 2.002 3.826 0.136 5 0 "[ . 1 . 2]" 1
1531 1 78 LYS H 1 79 VAL QG 3.780 . 3.890 3.816 3.437 3.973 0.083 12 0 "[ . 1 . 2]" 1
1532 1 78 LYS HA 1 79 VAL H 2.620 . 2.700 2.149 2.118 2.186 . 0 0 "[ . 1 . 2]" 1
1533 1 78 LYS HA 1 79 VAL HA 4.410 . 4.540 4.379 4.357 4.416 . 0 0 "[ . 1 . 2]" 1
1534 1 78 LYS HA 1 79 VAL HB 5.400 . 5.560 4.871 4.623 5.055 . 0 0 "[ . 1 . 2]" 1
1535 1 78 LYS HA 1 79 VAL QG 3.850 . 3.970 3.627 3.439 3.795 . 0 0 "[ . 1 . 2]" 1
1536 1 78 LYS QB 1 79 VAL H 4.190 . 4.320 3.908 3.866 3.974 . 0 0 "[ . 1 . 2]" 1
1537 1 78 LYS QB 1 79 VAL QG 5.030 . 5.180 4.590 4.396 4.717 . 0 0 "[ . 1 . 2]" 1
1538 1 79 VAL H 1 79 VAL HB 3.770 . 3.880 3.179 2.631 3.514 . 0 0 "[ . 1 . 2]" 1
1539 1 79 VAL H 1 79 VAL MG1 3.940 . 4.060 2.786 2.106 3.873 . 0 0 "[ . 1 . 2]" 1
1540 1 79 VAL H 1 79 VAL MG2 3.940 . 4.060 3.460 2.678 3.860 . 0 0 "[ . 1 . 2]" 1
1541 1 79 VAL H 1 79 VAL QG 2.950 . 3.040 2.388 2.096 2.830 . 0 0 "[ . 1 . 2]" 1
1542 1 79 VAL HA 1 79 VAL MG1 3.140 . 3.230 2.918 2.400 3.197 . 0 0 "[ . 1 . 2]" 1
1543 1 79 VAL HA 1 79 VAL MG2 3.140 . 3.230 2.489 2.352 2.586 . 0 0 "[ . 1 . 2]" 1
1544 1 79 VAL HA 1 79 VAL QG 2.640 . 2.720 2.342 2.135 2.477 . 0 0 "[ . 1 . 2]" 1
1545 1 22 SER H 1 80 ASP HB3 5.140 . 5.290 3.885 3.482 5.260 . 0 0 "[ . 1 . 2]" 1
1546 1 24 GLU H 1 80 ASP HB3 5.170 . 5.330 5.202 4.652 5.390 0.060 16 0 "[ . 1 . 2]" 1
1547 1 25 THR H 1 80 ASP HB3 4.580 . 4.720 4.599 4.215 4.738 0.018 3 0 "[ . 1 . 2]" 1
1548 1 25 THR MG 1 80 ASP HB3 4.730 . 4.870 4.069 3.446 4.913 0.043 18 0 "[ . 1 . 2]" 1
1549 1 79 VAL H 1 80 ASP H 4.330 . 4.460 4.263 4.132 4.350 . 0 0 "[ . 1 . 2]" 1
1550 1 79 VAL HA 1 80 ASP H 2.940 . 3.030 2.135 2.109 2.169 . 0 0 "[ . 1 . 2]" 1
1551 1 79 VAL HA 1 80 ASP HA 4.450 . 4.580 4.351 4.315 4.381 . 0 0 "[ . 1 . 2]" 1
1552 1 79 VAL HB 1 80 ASP H 4.420 . 4.550 4.093 3.894 4.298 . 0 0 "[ . 1 . 2]" 1
1553 1 79 VAL MG1 1 80 ASP H 4.360 . 4.490 3.694 2.603 4.286 . 0 0 "[ . 1 . 2]" 1
1554 1 79 VAL MG2 1 80 ASP H 4.360 . 4.490 3.137 2.539 4.083 . 0 0 "[ . 1 . 2]" 1
1555 1 79 VAL QG 1 80 ASP H 3.330 . 3.430 2.666 2.518 2.853 . 0 0 "[ . 1 . 2]" 1
1556 1 79 VAL QG 1 80 ASP HA 4.340 . 4.470 3.835 3.720 3.990 . 0 0 "[ . 1 . 2]" 1
1557 1 79 VAL QG 1 80 ASP HB3 4.020 . 4.140 3.262 3.003 4.129 . 0 0 "[ . 1 . 2]" 1
1558 1 80 ASP H 1 80 ASP HA 2.940 . 3.030 2.268 2.254 2.274 . 0 0 "[ . 1 . 2]" 1
1559 1 80 ASP H 1 80 ASP HB3 3.920 . 4.040 3.735 3.568 4.113 0.073 13 0 "[ . 1 . 2]" 1
1560 1 78 LYS HA 1 81 GLY H 5.500 . 5.660 4.904 4.558 5.260 . 0 0 "[ . 1 . 2]" 1
1561 1 78 LYS QD 1 81 GLY H 3.820 . 3.930 3.253 2.907 3.723 . 0 0 "[ . 1 . 2]" 1
1562 1 78 LYS QD 1 81 GLY HA2 3.860 . 3.980 2.030 1.775 2.386 0.025 19 0 "[ . 1 . 2]" 1
1563 1 78 LYS QD 1 81 GLY HA3 3.910 . 4.030 3.510 3.293 3.734 . 0 0 "[ . 1 . 2]" 1
1564 1 78 LYS QE 1 81 GLY HA2 3.880 . 4.000 3.880 3.228 4.023 0.023 10 0 "[ . 1 . 2]" 1
1565 1 78 LYS QE 1 81 GLY HA3 5.020 . 5.170 5.111 4.556 5.269 0.099 16 0 "[ . 1 . 2]" 1
1566 1 78 LYS QG 1 81 GLY H 4.140 . 4.260 3.176 2.560 4.273 0.013 12 0 "[ . 1 . 2]" 1
1567 1 78 LYS QG 1 81 GLY HA2 4.120 . 4.240 3.038 2.281 3.501 . 0 0 "[ . 1 . 2]" 1
1568 1 78 LYS QG 1 81 GLY HA3 5.140 . 5.290 4.545 3.824 5.025 . 0 0 "[ . 1 . 2]" 1
1569 1 79 VAL H 1 81 GLY HA2 5.490 . 5.650 4.999 4.793 5.206 . 0 0 "[ . 1 . 2]" 1
1570 1 79 VAL HA 1 81 GLY H 3.970 . 4.090 3.623 3.296 4.257 0.167 11 0 "[ . 1 . 2]" 1
1571 1 79 VAL MG1 1 81 GLY H 5.500 . 5.660 4.607 4.050 4.987 . 0 0 "[ . 1 . 2]" 1
1572 1 79 VAL MG2 1 81 GLY H 5.500 . 5.660 4.695 4.063 5.472 . 0 0 "[ . 1 . 2]" 1
1573 1 79 VAL QG 1 81 GLY H 4.520 . 4.660 4.093 3.627 4.463 . 0 0 "[ . 1 . 2]" 1
1574 1 80 ASP H 1 81 GLY H 3.540 . 3.650 2.801 2.533 3.574 . 0 0 "[ . 1 . 2]" 1
1575 1 80 ASP H 1 81 GLY HA2 5.110 . 5.260 4.940 4.838 5.116 . 0 0 "[ . 1 . 2]" 1
1576 1 80 ASP HA 1 81 GLY HA2 4.880 . 5.030 4.852 4.703 4.965 . 0 0 "[ . 1 . 2]" 1
1577 1 80 ASP HB3 1 81 GLY H 4.320 . 4.450 3.713 2.166 4.413 . 0 0 "[ . 1 . 2]" 1
1578 1 81 GLY H 1 81 GLY HA2 2.700 . 2.780 2.408 2.299 2.777 . 0 0 "[ . 1 . 2]" 1
1579 1 81 GLY H 1 81 GLY HA3 2.910 . 3.000 2.873 2.840 2.947 . 0 0 "[ . 1 . 2]" 1
1580 1 21 LEU HA 1 82 ARG QD 3.940 . 4.060 3.836 3.356 4.113 0.053 5 0 "[ . 1 . 2]" 1
1581 1 21 LEU HB3 1 82 ARG QB 5.500 . 5.660 4.193 3.850 4.619 . 0 0 "[ . 1 . 2]" 1
1582 1 22 SER H 1 82 ARG HG3 4.700 . 4.840 3.885 3.682 4.122 . 0 0 "[ . 1 . 2]" 1
1583 1 22 SER H 1 82 ARG QB 4.480 . 4.610 2.678 2.152 2.982 . 0 0 "[ . 1 . 2]" 1
1584 1 22 SER H 1 82 ARG QD 4.550 . 4.690 4.505 4.148 4.751 0.061 18 0 "[ . 1 . 2]" 1
1585 1 22 SER HA 1 82 ARG HG3 5.070 . 5.220 5.160 4.783 5.332 0.112 7 0 "[ . 1 . 2]" 1
1586 1 22 SER HA 1 82 ARG QB 5.050 . 5.200 3.904 3.094 4.400 . 0 0 "[ . 1 . 2]" 1
1587 1 22 SER HA 1 82 ARG QD 4.620 . 4.760 4.382 3.854 4.664 . 0 0 "[ . 1 . 2]" 1
1588 1 25 THR HB 1 82 ARG QB 5.500 . 5.660 5.530 5.125 5.707 0.047 8 0 "[ . 1 . 2]" 1
1589 1 78 LYS HA 1 82 ARG H 4.530 . 4.670 4.017 3.510 4.292 . 0 0 "[ . 1 . 2]" 1
1590 1 78 LYS QD 1 82 ARG H 2.880 . 2.970 2.778 2.210 3.019 0.049 20 0 "[ . 1 . 2]" 1
1591 1 78 LYS QD 1 82 ARG HA 3.860 . 3.980 3.509 3.285 3.774 . 0 0 "[ . 1 . 2]" 1
1592 1 78 LYS QE 1 82 ARG H 4.860 . 5.010 4.524 3.691 5.035 0.025 19 0 "[ . 1 . 2]" 1
1593 1 79 VAL H 1 82 ARG H 3.110 . 3.200 2.894 2.597 3.061 . 0 0 "[ . 1 . 2]" 1
1594 1 79 VAL H 1 82 ARG HA 4.790 . 4.930 4.768 4.651 4.907 . 0 0 "[ . 1 . 2]" 1
1595 1 79 VAL H 1 82 ARG QD 5.500 . 5.660 5.694 5.639 5.790 0.130 16 0 "[ . 1 . 2]" 1
1596 1 79 VAL HA 1 82 ARG H 5.350 . 5.510 4.277 4.108 4.479 . 0 0 "[ . 1 . 2]" 1
1597 1 79 VAL MG1 1 82 ARG H 4.980 . 5.130 4.100 3.760 4.740 . 0 0 "[ . 1 . 2]" 1
1598 1 79 VAL MG2 1 82 ARG H 4.980 . 5.130 4.680 4.308 5.126 . 0 0 "[ . 1 . 2]" 1
1599 1 79 VAL QG 1 82 ARG H 4.280 . 4.410 3.849 3.547 4.327 . 0 0 "[ . 1 . 2]" 1
1600 1 79 VAL QG 1 82 ARG HG3 5.190 . 5.350 4.514 3.856 5.355 0.005 15 0 "[ . 1 . 2]" 1
1601 1 80 ASP H 1 82 ARG H 4.610 . 4.750 4.140 3.962 4.659 . 0 0 "[ . 1 . 2]" 1
1602 1 81 GLY H 1 82 ARG H 3.090 . 3.180 2.320 1.733 2.573 0.067 12 0 "[ . 1 . 2]" 1
1603 1 81 GLY H 1 82 ARG HA 5.240 . 5.400 4.947 4.122 5.219 . 0 0 "[ . 1 . 2]" 1
1604 1 81 GLY H 1 82 ARG QB 4.760 . 4.900 4.146 2.956 4.552 . 0 0 "[ . 1 . 2]" 1
1605 1 81 GLY HA2 1 82 ARG H 3.250 . 3.350 3.058 2.793 3.240 . 0 0 "[ . 1 . 2]" 1
1606 1 81 GLY HA3 1 82 ARG H 3.490 . 3.590 3.396 3.309 3.483 . 0 0 "[ . 1 . 2]" 1
1607 1 82 ARG H 1 82 ARG HA 2.930 . 3.020 2.937 2.899 2.947 . 0 0 "[ . 1 . 2]" 1
1608 1 82 ARG H 1 82 ARG HG3 4.260 . 4.390 4.377 4.201 4.467 0.077 15 0 "[ . 1 . 2]" 1
1609 1 82 ARG H 1 82 ARG QB 3.280 . 3.380 2.439 2.339 2.659 . 0 0 "[ . 1 . 2]" 1
1610 1 82 ARG HA 1 82 ARG HG3 3.960 . 4.080 3.191 3.065 3.278 . 0 0 "[ . 1 . 2]" 1
1611 1 82 ARG HA 1 82 ARG QD 3.440 . 3.540 2.133 1.998 2.246 . 0 0 "[ . 1 . 2]" 1
1612 1 76 PRO HB2 1 83 VAL QG 3.010 . 3.100 2.378 1.876 3.010 . 0 0 "[ . 1 . 2]" 1
1613 1 76 PRO QD 1 83 VAL QG 4.830 . 4.970 4.466 4.279 4.801 . 0 0 "[ . 1 . 2]" 1
1614 1 77 HIS H 1 83 VAL QG 4.000 . 4.120 3.298 2.780 3.629 . 0 0 "[ . 1 . 2]" 1
1615 1 78 LYS HA 1 83 VAL HB 5.420 . 5.580 5.441 3.317 5.636 0.056 4 0 "[ . 1 . 2]" 1
1616 1 78 LYS HA 1 83 VAL MG1 4.140 . 4.260 4.246 4.067 4.429 0.169 11 0 "[ . 1 . 2]" 1
1617 1 78 LYS HA 1 83 VAL MG2 4.140 . 4.260 3.697 3.521 3.911 . 0 0 "[ . 1 . 2]" 1
1618 1 78 LYS HA 1 83 VAL QG 3.630 . 3.740 3.479 3.341 3.613 . 0 0 "[ . 1 . 2]" 1
1619 1 78 LYS QD 1 83 VAL HB 5.150 . 5.300 5.045 3.786 5.325 0.025 2 0 "[ . 1 . 2]" 1
1620 1 78 LYS QE 1 83 VAL H 4.420 . 4.550 3.768 2.636 4.553 0.003 16 0 "[ . 1 . 2]" 1
1621 1 78 LYS QE 1 83 VAL HB 5.380 . 5.540 4.523 2.115 5.550 0.010 15 0 "[ . 1 . 2]" 1
1622 1 78 LYS QE 1 83 VAL QG 2.710 . 2.790 2.170 1.903 2.809 0.019 15 0 "[ . 1 . 2]" 1
1623 1 82 ARG H 1 83 VAL H 4.530 . 4.670 4.341 4.050 4.457 . 0 0 "[ . 1 . 2]" 1
1624 1 82 ARG H 1 83 VAL QG 5.230 . 5.390 4.889 4.746 4.978 . 0 0 "[ . 1 . 2]" 1
1625 1 82 ARG HA 1 83 VAL H 2.420 . 2.490 2.170 2.131 2.202 . 0 0 "[ . 1 . 2]" 1
1626 1 82 ARG HA 1 83 VAL HB 5.180 . 5.340 4.700 4.581 4.948 . 0 0 "[ . 1 . 2]" 1
1627 1 82 ARG HA 1 83 VAL QG 3.980 . 4.100 3.591 3.501 3.682 . 0 0 "[ . 1 . 2]" 1
1628 1 82 ARG HG3 1 83 VAL H 3.850 . 3.970 3.170 2.933 3.568 . 0 0 "[ . 1 . 2]" 1
1629 1 82 ARG HG3 1 83 VAL QG 4.940 . 5.090 4.427 4.039 4.621 . 0 0 "[ . 1 . 2]" 1
1630 1 82 ARG QB 1 83 VAL H 3.840 . 3.960 3.752 3.665 3.853 . 0 0 "[ . 1 . 2]" 1
1631 1 82 ARG QB 1 83 VAL QG 5.440 . 5.600 4.767 4.664 4.851 . 0 0 "[ . 1 . 2]" 1
1632 1 82 ARG QD 1 83 VAL H 3.340 . 3.440 2.207 1.934 2.500 . 0 0 "[ . 1 . 2]" 1
1633 1 82 ARG QD 1 83 VAL HA 4.680 . 4.820 4.620 4.358 4.819 . 0 0 "[ . 1 . 2]" 1
1634 1 82 ARG QD 1 83 VAL QG 4.410 . 4.540 3.721 3.186 3.968 . 0 0 "[ . 1 . 2]" 1
1635 1 83 VAL H 1 83 VAL HB 3.160 . 3.250 2.558 2.469 2.999 . 0 0 "[ . 1 . 2]" 1
1636 1 83 VAL H 1 83 VAL MG1 3.900 . 4.020 3.684 1.796 3.795 0.004 11 0 "[ . 1 . 2]" 1
1637 1 83 VAL H 1 83 VAL MG2 3.900 . 4.020 2.268 2.054 3.739 . 0 0 "[ . 1 . 2]" 1
1638 1 83 VAL H 1 83 VAL QG 2.510 . 2.590 2.158 1.792 2.290 0.008 11 0 "[ . 1 . 2]" 1
1639 1 18 ILE MD 1 84 VAL HB 5.080 . 5.230 4.239 3.941 4.417 . 0 0 "[ . 1 . 2]" 1
1640 1 18 ILE MD 1 84 VAL QG 3.050 . 3.140 3.157 3.052 3.227 0.087 13 0 "[ . 1 . 2]" 1
1641 1 18 ILE MG 1 84 VAL HA 4.140 . 4.260 4.232 3.975 4.314 0.054 3 0 "[ . 1 . 2]" 1
1642 1 18 ILE MG 1 84 VAL HB 3.250 . 3.350 2.238 2.055 2.301 . 0 0 "[ . 1 . 2]" 1
1643 1 18 ILE MG 1 84 VAL MG1 2.890 . 2.980 2.461 2.289 2.682 . 0 0 "[ . 1 . 2]" 1
1644 1 18 ILE MG 1 84 VAL MG2 2.890 . 2.980 2.112 1.998 2.356 . 0 0 "[ . 1 . 2]" 1
1645 1 18 ILE MG 1 84 VAL QG 2.380 . 2.450 1.996 1.899 2.172 . 0 0 "[ . 1 . 2]" 1
1646 1 19 GLY H 1 84 VAL HA 5.260 . 5.420 5.207 4.956 5.433 0.013 8 0 "[ . 1 . 2]" 1
1647 1 19 GLY H 1 84 VAL HB 5.020 . 5.170 3.869 3.532 4.150 . 0 0 "[ . 1 . 2]" 1
1648 1 19 GLY H 1 84 VAL QG 4.410 . 4.540 4.317 4.071 4.528 . 0 0 "[ . 1 . 2]" 1
1649 1 20 GLY HA2 1 84 VAL HA 5.500 . 5.660 5.091 4.434 5.535 . 0 0 "[ . 1 . 2]" 1
1650 1 20 GLY HA3 1 84 VAL HA 4.460 . 4.590 3.593 2.733 4.052 . 0 0 "[ . 1 . 2]" 1
1651 1 20 GLY HA3 1 84 VAL HB 5.500 . 5.660 4.724 3.931 5.372 . 0 0 "[ . 1 . 2]" 1
1652 1 20 GLY HA3 1 84 VAL QG 5.190 . 5.350 3.929 3.166 4.597 . 0 0 "[ . 1 . 2]" 1
1653 1 21 LEU HA 1 84 VAL QG 2.960 . 3.050 2.195 2.005 2.421 . 0 0 "[ . 1 . 2]" 1
1654 1 21 LEU HB3 1 84 VAL QG 3.210 . 3.310 1.831 1.760 2.016 0.040 3 0 "[ . 1 . 2]" 1
1655 1 21 LEU HG 1 84 VAL QG 4.690 . 4.830 3.660 3.528 3.845 . 0 0 "[ . 1 . 2]" 1
1656 1 21 LEU MD1 1 84 VAL QG 4.180 . 4.310 4.053 3.974 4.177 . 0 0 "[ . 1 . 2]" 1
1657 1 21 LEU MD2 1 84 VAL HA 5.480 . 5.640 5.457 5.091 5.656 0.016 12 0 "[ . 1 . 2]" 1
1658 1 21 LEU MD2 1 84 VAL HB 4.520 . 4.660 3.890 3.556 4.075 . 0 0 "[ . 1 . 2]" 1
1659 1 21 LEU MD2 1 84 VAL QG 3.050 . 3.140 2.833 2.549 3.091 . 0 0 "[ . 1 . 2]" 1
1660 1 22 SER H 1 84 VAL QG 4.190 . 4.320 3.839 3.571 4.065 . 0 0 "[ . 1 . 2]" 1
1661 1 34 PHE HZ 1 84 VAL H 5.500 . 5.660 5.582 5.293 5.740 0.080 15 0 "[ . 1 . 2]" 1
1662 1 34 PHE HZ 1 84 VAL HB 4.770 . 4.910 4.118 3.793 4.353 . 0 0 "[ . 1 . 2]" 1
1663 1 34 PHE HZ 1 84 VAL QG 2.880 . 2.970 2.094 1.968 2.248 . 0 0 "[ . 1 . 2]" 1
1664 1 34 PHE QD 1 84 VAL QG 4.950 . 5.100 4.525 4.329 4.655 . 0 0 "[ . 1 . 2]" 1
1665 1 34 PHE QE 1 84 VAL HB 5.220 . 5.380 4.927 4.478 5.146 . 0 0 "[ . 1 . 2]" 1
1666 1 34 PHE QE 1 84 VAL MG1 4.190 . 4.320 3.863 3.511 4.109 . 0 0 "[ . 1 . 2]" 1
1667 1 34 PHE QE 1 84 VAL MG2 4.190 . 4.320 2.959 2.715 3.106 . 0 0 "[ . 1 . 2]" 1
1668 1 34 PHE QE 1 84 VAL QG 2.910 . 3.000 2.868 2.663 2.994 . 0 0 "[ . 1 . 2]" 1
1669 1 77 HIS H 1 84 VAL QG 4.340 . 4.470 3.772 3.524 4.058 . 0 0 "[ . 1 . 2]" 1
1670 1 77 HIS HB3 1 84 VAL QG 3.190 . 3.290 1.883 1.776 2.035 0.024 12 0 "[ . 1 . 2]" 1
1671 1 77 HIS HD2 1 84 VAL QG 4.560 . 4.700 4.349 4.131 4.545 . 0 0 "[ . 1 . 2]" 1
1672 1 77 HIS HE1 1 84 VAL QG 5.180 . 5.340 4.169 3.685 4.442 . 0 0 "[ . 1 . 2]" 1
1673 1 78 LYS H 1 84 VAL QG 5.230 . 5.390 3.777 3.557 4.189 . 0 0 "[ . 1 . 2]" 1
1674 1 78 LYS HA 1 84 VAL H 4.490 . 4.620 3.445 3.130 3.918 . 0 0 "[ . 1 . 2]" 1
1675 1 78 LYS HA 1 84 VAL MG1 5.340 . 5.500 4.071 3.838 4.442 . 0 0 "[ . 1 . 2]" 1
1676 1 78 LYS HA 1 84 VAL MG2 5.340 . 5.500 3.781 3.568 4.150 . 0 0 "[ . 1 . 2]" 1
1677 1 78 LYS HA 1 84 VAL QG 4.430 . 4.560 3.477 3.315 3.812 . 0 0 "[ . 1 . 2]" 1
1678 1 79 VAL H 1 84 VAL H 4.360 . 4.490 3.930 3.401 4.424 . 0 0 "[ . 1 . 2]" 1
1679 1 79 VAL H 1 84 VAL QG 3.840 . 3.960 2.894 2.520 3.345 . 0 0 "[ . 1 . 2]" 1
1680 1 79 VAL QG 1 84 VAL HB 4.610 . 4.750 3.909 3.756 4.277 . 0 0 "[ . 1 . 2]" 1
1681 1 79 VAL QG 1 84 VAL QG 2.560 . 2.640 1.942 1.833 2.195 . 0 0 "[ . 1 . 2]" 1
1682 1 82 ARG H 1 84 VAL QG 5.440 . 5.600 4.266 4.088 4.594 . 0 0 "[ . 1 . 2]" 1
1683 1 82 ARG HG3 1 84 VAL H 5.360 . 5.520 4.457 4.185 4.794 . 0 0 "[ . 1 . 2]" 1
1684 1 82 ARG HG3 1 84 VAL QG 3.560 . 3.670 2.644 2.271 2.947 . 0 0 "[ . 1 . 2]" 1
1685 1 82 ARG QB 1 84 VAL QG 4.410 . 4.540 3.091 2.701 3.307 . 0 0 "[ . 1 . 2]" 1
1686 1 82 ARG QD 1 84 VAL QG 4.660 . 4.800 4.079 3.605 4.457 . 0 0 "[ . 1 . 2]" 1
1687 1 83 VAL H 1 84 VAL H 4.590 . 4.730 4.430 4.335 4.506 . 0 0 "[ . 1 . 2]" 1
1688 1 83 VAL H 1 84 VAL HA 5.500 . 5.660 5.226 5.109 5.387 . 0 0 "[ . 1 . 2]" 1
1689 1 83 VAL H 1 84 VAL QG 5.200 . 5.360 4.259 4.148 4.421 . 0 0 "[ . 1 . 2]" 1
1690 1 83 VAL HB 1 84 VAL QG 5.440 . 5.600 4.810 4.712 4.949 . 0 0 "[ . 1 . 2]" 1
1691 1 83 VAL QG 1 84 VAL H 3.900 . 4.020 2.834 2.614 3.067 . 0 0 "[ . 1 . 2]" 1
1692 1 84 VAL H 1 84 VAL MG1 4.120 . 4.240 2.635 2.430 2.806 . 0 0 "[ . 1 . 2]" 1
1693 1 84 VAL H 1 84 VAL MG2 4.120 . 4.240 2.078 1.972 2.146 . 0 0 "[ . 1 . 2]" 1
1694 1 84 VAL H 1 84 VAL QG 3.510 . 3.620 2.002 1.914 2.071 . 0 0 "[ . 1 . 2]" 1
1695 1 84 VAL HA 1 84 VAL HB 2.930 . 3.020 2.438 2.402 2.465 . 0 0 "[ . 1 . 2]" 1
1696 1 84 VAL HA 1 84 VAL MG1 3.250 . 3.350 2.366 2.326 2.425 . 0 0 "[ . 1 . 2]" 1
1697 1 84 VAL HA 1 84 VAL MG2 3.250 . 3.350 3.210 3.206 3.214 . 0 0 "[ . 1 . 2]" 1
1698 1 84 VAL HA 1 84 VAL QG 2.660 . 2.740 2.308 2.274 2.357 . 0 0 "[ . 1 . 2]" 1
1699 1 18 ILE MD 1 85 GLU H 5.340 . 5.500 4.903 4.664 5.166 . 0 0 "[ . 1 . 2]" 1
1700 1 18 ILE MG 1 85 GLU H 3.590 . 3.700 3.586 3.421 3.763 0.063 10 0 "[ . 1 . 2]" 1
1701 1 19 GLY H 1 85 GLU H 3.960 . 4.080 3.190 2.940 3.400 . 0 0 "[ . 1 . 2]" 1
1702 1 20 GLY H 1 85 GLU H 5.500 . 5.660 5.310 5.041 5.630 . 0 0 "[ . 1 . 2]" 1
1703 1 20 GLY HA3 1 85 GLU H 4.970 . 5.120 4.108 3.576 4.508 . 0 0 "[ . 1 . 2]" 1
1704 1 21 LEU MD2 1 85 GLU H 5.480 . 5.640 5.423 5.069 5.640 0.000 10 0 "[ . 1 . 2]" 1
1705 1 34 PHE HZ 1 85 GLU H 5.500 . 5.660 5.637 5.143 5.765 0.105 12 0 "[ . 1 . 2]" 1
1706 1 79 VAL QG 1 85 GLU H 5.440 . 5.600 5.589 5.381 5.733 0.133 11 0 "[ . 1 . 2]" 1
1707 1 83 VAL QG 1 85 GLU H 4.940 . 5.090 4.985 4.876 5.122 0.032 16 0 "[ . 1 . 2]" 1
1708 1 84 VAL H 1 85 GLU H 4.600 . 4.740 4.485 4.441 4.534 . 0 0 "[ . 1 . 2]" 1
1709 1 84 VAL HA 1 85 GLU H 2.700 . 2.780 2.446 2.348 2.560 . 0 0 "[ . 1 . 2]" 1
1710 1 84 VAL HB 1 85 GLU H 2.800 . 2.880 2.250 2.019 2.508 . 0 0 "[ . 1 . 2]" 1
1711 1 84 VAL HB 1 85 GLU HA 5.490 . 5.650 4.469 4.368 4.584 . 0 0 "[ . 1 . 2]" 1
1712 1 84 VAL MG1 1 85 GLU H 3.910 . 4.030 3.634 3.533 3.821 . 0 0 "[ . 1 . 2]" 1
1713 1 84 VAL MG2 1 85 GLU H 3.910 . 4.030 3.215 2.939 3.403 . 0 0 "[ . 1 . 2]" 1
1714 1 84 VAL QG 1 85 GLU H 3.090 . 3.180 3.009 2.809 3.152 . 0 0 "[ . 1 . 2]" 1
1715 1 84 VAL QG 1 85 GLU HA 4.030 . 4.150 3.587 3.390 3.748 . 0 0 "[ . 1 . 2]" 1
1716 1 16 LEU HB3 1 86 PRO HA 5.290 . 5.450 4.341 3.732 4.875 . 0 0 "[ . 1 . 2]" 1
1717 1 16 LEU HB3 1 86 PRO HB3 4.720 . 4.860 4.027 3.355 4.545 . 0 0 "[ . 1 . 2]" 1
1718 1 16 LEU MD1 1 86 PRO HA 5.100 . 5.250 3.828 3.558 4.165 . 0 0 "[ . 1 . 2]" 1
1719 1 16 LEU MD1 1 86 PRO HB3 4.120 . 4.240 3.323 2.241 4.215 . 0 0 "[ . 1 . 2]" 1
1720 1 16 LEU MD2 1 86 PRO HA 5.100 . 5.250 3.421 2.839 3.842 . 0 0 "[ . 1 . 2]" 1
1721 1 16 LEU MD2 1 86 PRO HB3 4.120 . 4.240 2.753 2.397 3.331 . 0 0 "[ . 1 . 2]" 1
1722 1 16 LEU QD 1 86 PRO HA 4.330 . 4.460 3.168 2.767 3.473 . 0 0 "[ . 1 . 2]" 1
1723 1 16 LEU QD 1 86 PRO HB3 3.190 . 3.290 2.423 2.182 2.596 . 0 0 "[ . 1 . 2]" 1
1724 1 16 LEU QD 1 86 PRO HG3 4.140 . 4.260 3.676 3.500 3.895 . 0 0 "[ . 1 . 2]" 1
1725 1 18 ILE HA 1 86 PRO HA 3.600 . 3.710 2.698 2.584 2.773 . 0 0 "[ . 1 . 2]" 1
1726 1 18 ILE HG12 1 86 PRO HA 5.180 . 5.340 4.575 4.355 4.754 . 0 0 "[ . 1 . 2]" 1
1727 1 18 ILE HG13 1 86 PRO HA 5.410 . 5.570 4.971 4.732 5.137 . 0 0 "[ . 1 . 2]" 1
1728 1 18 ILE MD 1 86 PRO HA 3.180 . 3.280 2.121 1.871 2.311 . 0 0 "[ . 1 . 2]" 1
1729 1 18 ILE MD 1 86 PRO HB3 3.040 . 3.130 2.028 1.888 2.254 . 0 0 "[ . 1 . 2]" 1
1730 1 18 ILE MD 1 86 PRO HG3 4.180 . 4.310 3.581 3.240 3.932 . 0 0 "[ . 1 . 2]" 1
1731 1 18 ILE MG 1 86 PRO HA 4.150 . 4.270 3.654 3.557 3.826 . 0 0 "[ . 1 . 2]" 1
1732 1 18 ILE MG 1 86 PRO HB3 4.270 . 4.400 3.562 3.395 3.767 . 0 0 "[ . 1 . 2]" 1
1733 1 18 ILE MG 1 86 PRO HG3 5.160 . 5.310 4.309 4.005 4.590 . 0 0 "[ . 1 . 2]" 1
1734 1 19 GLY H 1 86 PRO HA 4.370 . 4.500 4.020 3.859 4.137 . 0 0 "[ . 1 . 2]" 1
1735 1 19 GLY H 1 86 PRO HB3 5.500 . 5.660 5.715 5.673 5.810 0.150 18 0 "[ . 1 . 2]" 1
1736 1 34 PHE HZ 1 86 PRO HB3 4.260 . 4.390 3.218 2.841 3.679 . 0 0 "[ . 1 . 2]" 1
1737 1 34 PHE HZ 1 86 PRO HG3 3.710 . 3.820 3.600 3.183 3.789 . 0 0 "[ . 1 . 2]" 1
1738 1 34 PHE QE 1 86 PRO HB3 4.320 . 4.450 2.372 2.013 2.633 . 0 0 "[ . 1 . 2]" 1
1739 1 34 PHE QE 1 86 PRO HG3 3.780 . 3.890 3.101 2.649 3.406 . 0 0 "[ . 1 . 2]" 1
1740 1 60 VAL QG 1 86 PRO HB3 4.560 . 4.700 4.220 3.841 4.550 . 0 0 "[ . 1 . 2]" 1
1741 1 71 ALA MB 1 86 PRO HG3 4.530 . 4.670 4.271 4.008 4.516 . 0 0 "[ . 1 . 2]" 1
1742 1 72 MET HA 1 86 PRO QD 4.960 . 5.110 4.039 3.625 4.364 . 0 0 "[ . 1 . 2]" 1
1743 1 72 MET ME 1 86 PRO HA 5.230 . 5.390 5.050 4.720 5.336 . 0 0 "[ . 1 . 2]" 1
1744 1 77 HIS HD2 1 86 PRO HB3 4.910 . 5.060 4.488 4.233 4.643 . 0 0 "[ . 1 . 2]" 1
1745 1 77 HIS HD2 1 86 PRO HG3 3.080 . 3.170 3.104 2.828 3.202 0.032 14 0 "[ . 1 . 2]" 1
1746 1 84 VAL HA 1 86 PRO QD 5.220 . 5.380 4.980 4.790 5.076 . 0 0 "[ . 1 . 2]" 1
1747 1 84 VAL QG 1 86 PRO HA 4.940 . 5.090 4.252 4.080 4.451 . 0 0 "[ . 1 . 2]" 1
1748 1 84 VAL QG 1 86 PRO HB3 4.150 . 4.270 3.660 3.467 3.933 . 0 0 "[ . 1 . 2]" 1
1749 1 84 VAL QG 1 86 PRO HG3 3.550 . 3.660 2.990 2.748 3.301 . 0 0 "[ . 1 . 2]" 1
1750 1 85 GLU HA 1 86 PRO HB3 5.420 . 5.580 5.044 4.936 5.164 . 0 0 "[ . 1 . 2]" 1
1751 1 85 GLU HA 1 86 PRO HG3 4.750 . 4.890 4.099 3.958 4.434 . 0 0 "[ . 1 . 2]" 1
1752 1 16 LEU HA 1 87 LYS HA 5.290 . 5.450 5.218 5.106 5.340 . 0 0 "[ . 1 . 2]" 1
1753 1 16 LEU QD 1 87 LYS HA 3.290 . 3.390 3.203 3.021 3.366 . 0 0 "[ . 1 . 2]" 1
1754 1 16 LEU QD 1 87 LYS QB 5.080 . 5.230 4.141 4.000 4.327 . 0 0 "[ . 1 . 2]" 1
1755 1 17 PHE H 1 87 LYS HB2 5.050 . 5.200 4.257 3.561 5.133 . 0 0 "[ . 1 . 2]" 1
1756 1 17 PHE H 1 87 LYS QB 4.430 . 4.560 4.022 3.478 4.614 0.054 20 0 "[ . 1 . 2]" 1
1757 1 17 PHE HB3 1 87 LYS HB2 4.480 . 4.610 3.006 2.031 4.314 . 0 0 "[ . 1 . 2]" 1
1758 1 17 PHE HB3 1 87 LYS QB 3.860 . 3.980 2.872 2.022 3.762 . 0 0 "[ . 1 . 2]" 1
1759 1 17 PHE HB3 1 87 LYS QG 5.500 . 5.660 3.881 1.729 4.624 0.071 20 0 "[ . 1 . 2]" 1
1760 1 17 PHE QD 1 87 LYS HE2 5.460 . 5.620 3.098 2.297 3.807 . 0 0 "[ . 1 . 2]" 1
1761 1 17 PHE QD 1 87 LYS QB 3.840 . 3.960 2.966 2.364 3.910 . 0 0 "[ . 1 . 2]" 1
1762 1 17 PHE QD 1 87 LYS QE 4.760 . 4.900 2.398 1.987 3.367 . 0 0 "[ . 1 . 2]" 1
1763 1 17 PHE QD 1 87 LYS QG 4.270 . 4.400 3.729 1.948 4.405 0.005 2 0 "[ . 1 . 2]" 1
1764 1 17 PHE QE 1 87 LYS HE2 4.770 . 4.910 3.813 2.944 4.941 0.031 20 0 "[ . 1 . 2]" 1
1765 1 17 PHE QE 1 87 LYS QB 5.340 . 5.500 4.886 4.310 5.576 0.076 9 0 "[ . 1 . 2]" 1
1766 1 17 PHE QE 1 87 LYS QG 5.500 . 5.660 5.213 4.000 5.710 0.050 16 0 "[ . 1 . 2]" 1
1767 1 18 ILE HA 1 87 LYS H 4.300 . 4.430 3.853 3.691 3.999 . 0 0 "[ . 1 . 2]" 1
1768 1 18 ILE MG 1 87 LYS H 5.500 . 5.660 5.250 5.071 5.421 . 0 0 "[ . 1 . 2]" 1
1769 1 19 GLY H 1 87 LYS H 5.500 . 5.660 4.551 4.246 4.759 . 0 0 "[ . 1 . 2]" 1
1770 1 19 GLY H 1 87 LYS QG 5.500 . 5.660 4.849 4.026 5.204 . 0 0 "[ . 1 . 2]" 1
1771 1 72 MET ME 1 87 LYS HA 2.820 . 2.900 2.380 2.089 2.690 . 0 0 "[ . 1 . 2]" 1
1772 1 72 MET ME 1 87 LYS QG 4.440 . 4.570 4.285 3.920 4.656 0.086 20 0 "[ . 1 . 2]" 1
1773 1 86 PRO HA 1 87 LYS HA 5.220 . 5.380 4.409 4.401 4.428 . 0 0 "[ . 1 . 2]" 1
1774 1 86 PRO HA 1 87 LYS QG 4.810 . 4.950 3.907 3.289 4.134 . 0 0 "[ . 1 . 2]" 1
1775 1 87 LYS H 1 87 LYS HB2 4.030 . 4.150 2.871 2.552 3.810 . 0 0 "[ . 1 . 2]" 1
1776 1 87 LYS H 1 87 LYS QG 3.940 . 4.060 2.700 2.233 3.012 . 0 0 "[ . 1 . 2]" 1
1777 1 87 LYS HA 1 87 LYS QE 4.900 . 5.050 4.456 4.194 5.056 0.006 10 0 "[ . 1 . 2]" 1
1778 1 87 LYS HA 1 87 LYS QG 3.690 . 3.800 2.647 2.427 3.361 . 0 0 "[ . 1 . 2]" 1
1779 1 87 LYS HB2 1 87 LYS HE2 3.920 . 4.040 3.039 2.022 4.028 . 0 0 "[ . 1 . 2]" 1
1780 1 87 LYS QB 1 87 LYS QE 2.840 . 2.930 2.048 1.859 2.779 . 0 0 "[ . 1 . 2]" 1
1781 1 87 LYS HE2 1 87 LYS QG 3.280 . 3.380 2.637 2.311 3.485 0.105 12 0 "[ . 1 . 2]" 1
1782 1 16 LEU H 1 88 ARG HA 5.500 . 5.660 5.683 5.575 5.743 0.083 9 0 "[ . 1 . 2]" 1
1783 1 16 LEU HA 1 88 ARG H 4.850 . 5.000 5.079 5.047 5.127 0.127 5 0 "[ . 1 . 2]" 1
1784 1 16 LEU HA 1 88 ARG HA 3.730 . 3.840 3.200 3.037 3.368 . 0 0 "[ . 1 . 2]" 1
1785 1 16 LEU QD 1 88 ARG H 3.550 . 3.660 3.620 3.442 3.748 0.088 11 0 "[ . 1 . 2]" 1
1786 1 16 LEU QD 1 88 ARG HA 2.790 . 2.870 2.751 2.416 2.915 0.045 15 0 "[ . 1 . 2]" 1
1787 1 16 LEU QD 1 88 ARG HB2 5.270 . 5.430 4.440 4.179 4.629 . 0 0 "[ . 1 . 2]" 1
1788 1 16 LEU QD 1 88 ARG HD2 4.100 . 4.220 3.122 2.690 3.563 . 0 0 "[ . 1 . 2]" 1
1789 1 17 PHE H 1 88 ARG HA 4.330 . 4.460 3.754 3.545 3.965 . 0 0 "[ . 1 . 2]" 1
1790 1 17 PHE HB3 1 88 ARG H 5.500 . 5.660 5.040 4.892 5.178 . 0 0 "[ . 1 . 2]" 1
1791 1 68 VAL MG1 1 88 ARG H 4.970 . 5.120 4.938 4.698 5.148 0.028 1 0 "[ . 1 . 2]" 1
1792 1 68 VAL MG1 1 88 ARG HA 4.490 . 4.620 3.737 3.460 3.935 . 0 0 "[ . 1 . 2]" 1
1793 1 68 VAL MG1 1 88 ARG HB2 5.480 . 5.640 4.772 4.533 4.903 . 0 0 "[ . 1 . 2]" 1
1794 1 68 VAL MG1 1 88 ARG HD2 3.960 . 4.080 2.326 2.192 2.521 . 0 0 "[ . 1 . 2]" 1
1795 1 68 VAL MG1 1 88 ARG QG 3.850 . 3.970 3.904 3.678 4.078 0.108 2 0 "[ . 1 . 2]" 1
1796 1 72 MET ME 1 88 ARG H 2.890 . 2.980 2.494 2.283 2.738 . 0 0 "[ . 1 . 2]" 1
1797 1 72 MET ME 1 88 ARG HA 3.110 . 3.200 3.012 2.758 3.218 0.018 1 0 "[ . 1 . 2]" 1
1798 1 72 MET ME 1 88 ARG HD2 3.430 . 3.530 2.358 2.029 2.557 . 0 0 "[ . 1 . 2]" 1
1799 1 72 MET ME 1 88 ARG HG2 4.210 . 4.340 3.960 3.784 4.115 . 0 0 "[ . 1 . 2]" 1
1800 1 72 MET ME 1 88 ARG QG 3.640 . 3.750 3.556 3.452 3.653 . 0 0 "[ . 1 . 2]" 1
1801 1 87 LYS H 1 88 ARG H 4.990 . 5.140 4.484 4.440 4.522 . 0 0 "[ . 1 . 2]" 1
1802 1 87 LYS HA 1 88 ARG H 2.660 . 2.740 2.368 2.287 2.443 . 0 0 "[ . 1 . 2]" 1
1803 1 87 LYS HA 1 88 ARG HB2 5.500 . 5.660 4.352 4.300 4.413 . 0 0 "[ . 1 . 2]" 1
1804 1 87 LYS HA 1 88 ARG HD2 5.160 . 5.310 5.266 4.719 5.613 0.303 3 0 "[ . 1 . 2]" 1
1805 1 87 LYS QB 1 88 ARG H 2.980 . 3.070 2.537 2.376 2.831 . 0 0 "[ . 1 . 2]" 1
1806 1 87 LYS QG 1 88 ARG H 4.290 . 4.420 3.862 3.255 4.254 . 0 0 "[ . 1 . 2]" 1
1807 1 88 ARG H 1 88 ARG HB2 3.610 . 3.720 2.088 2.051 2.125 . 0 0 "[ . 1 . 2]" 1
1808 1 88 ARG H 1 88 ARG HD2 3.750 . 3.860 3.858 3.390 4.169 0.309 3 0 "[ . 1 . 2]" 1
1809 1 88 ARG H 1 88 ARG QG 4.910 . 5.060 3.957 3.887 4.000 . 0 0 "[ . 1 . 2]" 1
1810 1 88 ARG HA 1 88 ARG HD2 3.660 . 3.770 2.185 1.970 2.485 . 0 0 "[ . 1 . 2]" 1
1811 1 88 ARG HA 1 88 ARG HG2 4.100 . 4.220 3.610 3.583 3.631 . 0 0 "[ . 1 . 2]" 1
1812 1 88 ARG HB2 1 88 ARG HD2 3.500 . 3.600 3.089 2.938 3.226 . 0 0 "[ . 1 . 2]" 1
1813 1 12 GLN HA 1 89 ALA MB 3.860 . 3.980 3.060 2.187 3.745 . 0 0 "[ . 1 . 2]" 1
1814 1 15 LYS H 1 89 ALA H 5.030 . 5.180 4.186 3.895 4.459 . 0 0 "[ . 1 . 2]" 1
1815 1 15 LYS H 1 89 ALA MB 3.620 . 3.730 3.485 3.261 3.768 0.038 13 0 "[ . 1 . 2]" 1
1816 1 15 LYS HE3 1 89 ALA MB 4.370 . 4.500 4.188 3.114 4.537 0.037 6 0 "[ . 1 . 2]" 1
1817 1 15 LYS QB 1 89 ALA MB 3.210 . 3.310 1.945 1.771 2.220 0.029 12 0 "[ . 1 . 2]" 1
1818 1 15 LYS QD 1 89 ALA MB 2.760 . 2.840 2.431 1.993 3.093 0.253 13 0 "[ . 1 . 2]" 1
1819 1 15 LYS QE 1 89 ALA MB 3.830 . 3.940 3.480 1.731 4.026 0.086 16 0 "[ . 1 . 2]" 1
1820 1 15 LYS QG 1 89 ALA MB 3.510 . 3.620 2.567 1.824 3.089 . 0 0 "[ . 1 . 2]" 1
1821 1 16 LEU HA 1 89 ALA H 3.650 . 3.760 3.283 2.941 3.660 . 0 0 "[ . 1 . 2]" 1
1822 1 16 LEU HA 1 89 ALA MB 3.890 . 4.010 3.486 3.118 3.703 . 0 0 "[ . 1 . 2]" 1
1823 1 16 LEU QD 1 89 ALA H 4.130 . 4.250 3.832 3.537 4.092 . 0 0 "[ . 1 . 2]" 1
1824 1 17 PHE H 1 89 ALA H 4.390 . 4.520 3.636 3.327 4.000 . 0 0 "[ . 1 . 2]" 1
1825 1 59 PHE QD 1 89 ALA MB 3.500 . 3.600 2.729 2.217 3.069 . 0 0 "[ . 1 . 2]" 1
1826 1 59 PHE QE 1 89 ALA MB 4.160 . 4.280 2.718 2.137 3.410 . 0 0 "[ . 1 . 2]" 1
1827 1 88 ARG H 1 89 ALA H 4.740 . 4.880 4.568 4.501 4.628 . 0 0 "[ . 1 . 2]" 1
1828 1 88 ARG HA 1 89 ALA MB 3.970 . 4.090 3.990 3.961 4.034 . 0 0 "[ . 1 . 2]" 1
1829 1 88 ARG HB2 1 89 ALA H 4.210 . 4.340 4.436 4.309 4.557 0.217 9 0 "[ . 1 . 2]" 1
1830 1 12 GLN HE21 1 90 VAL HA 4.540 . 4.680 2.274 1.786 3.541 0.014 14 0 "[ . 1 . 2]" 1
1831 1 12 GLN HE22 1 90 VAL HA 4.540 . 4.680 3.564 2.845 4.670 . 0 0 "[ . 1 . 2]" 1
1832 1 12 GLN HG3 1 90 VAL H 5.500 . 5.660 4.723 4.103 5.685 0.025 10 0 "[ . 1 . 2]" 1
1833 1 12 GLN HG3 1 90 VAL HA 4.520 . 4.660 2.939 2.150 3.783 . 0 0 "[ . 1 . 2]" 1
1834 1 12 GLN QE 1 90 VAL HA 3.710 . 3.820 2.229 1.780 3.333 0.020 14 0 "[ . 1 . 2]" 1
1835 1 12 GLN QE 1 90 VAL QG 4.460 . 4.590 2.881 2.167 3.467 . 0 0 "[ . 1 . 2]" 1
1836 1 89 ALA H 1 90 VAL H 4.830 . 4.970 4.548 4.281 4.608 . 0 0 "[ . 1 . 2]" 1
1837 1 90 VAL H 1 90 VAL HB 3.680 . 3.790 2.773 2.516 3.650 . 0 0 "[ . 1 . 2]" 1
1838 1 90 VAL H 1 90 VAL QG 3.790 . 3.900 2.154 1.863 2.522 . 0 0 "[ . 1 . 2]" 1
1839 1 90 VAL HA 1 90 VAL MG1 3.190 . 3.290 2.754 2.331 3.220 . 0 0 "[ . 1 . 2]" 1
1840 1 90 VAL HA 1 90 VAL MG2 3.190 . 3.290 2.477 2.277 3.214 . 0 0 "[ . 1 . 2]" 1
1841 1 90 VAL HA 1 90 VAL QG 2.580 . 2.660 2.228 2.142 2.340 . 0 0 "[ . 1 . 2]" 1
1842 1 12 GLN HE21 1 91 SER HA 5.170 . 5.330 4.552 3.638 5.455 0.125 17 0 "[ . 1 . 2]" 1
1843 1 12 GLN HE22 1 91 SER HA 5.170 . 5.330 4.763 3.541 5.381 0.051 12 0 "[ . 1 . 2]" 1
1844 1 12 GLN HG3 1 91 SER H 4.400 . 4.530 3.393 2.315 4.586 0.056 10 0 "[ . 1 . 2]" 1
1845 1 12 GLN QE 1 91 SER H 5.080 . 5.230 2.336 1.889 2.901 . 0 0 "[ . 1 . 2]" 1
1846 1 90 VAL H 1 91 SER H 4.850 . 5.000 4.530 4.353 4.641 . 0 0 "[ . 1 . 2]" 1
1847 1 90 VAL HA 1 91 SER QB 4.960 . 5.110 4.539 4.109 4.900 . 0 0 "[ . 1 . 2]" 1
1848 1 90 VAL MG1 1 91 SER H 4.490 . 4.620 2.920 1.975 3.763 . 0 0 "[ . 1 . 2]" 1
1849 1 90 VAL MG2 1 91 SER H 4.490 . 4.620 2.976 1.771 4.140 0.029 18 0 "[ . 1 . 2]" 1
1850 1 90 VAL QG 1 91 SER H 3.710 . 3.820 2.191 1.758 2.897 0.042 18 0 "[ . 1 . 2]" 1
1851 1 91 SER H 1 92 ARG H 4.850 . 5.000 4.589 4.508 4.647 . 0 0 "[ . 1 . 2]" 1
1852 1 91 SER HA 1 92 ARG H 3.170 . 3.270 2.209 2.140 2.334 . 0 0 "[ . 1 . 2]" 1
1853 1 91 SER HA 1 92 ARG QB 4.590 . 4.730 4.451 4.254 4.612 . 0 0 "[ . 1 . 2]" 1
1854 1 91 SER HA 1 92 ARG QG 4.350 . 4.480 4.164 3.774 4.547 0.067 9 0 "[ . 1 . 2]" 1
1855 1 91 SER QB 1 92 ARG H 4.910 . 5.060 3.299 2.767 3.761 . 0 0 "[ . 1 . 2]" 1
1856 1 91 SER QB 1 92 ARG QB 5.500 . 5.660 5.153 4.844 5.555 . 0 0 "[ . 1 . 2]" 1
1857 1 92 ARG H 1 92 ARG QD 5.170 . 5.330 3.167 1.739 4.264 0.061 9 0 "[ . 1 . 2]" 1
1858 1 92 ARG H 1 92 ARG QG 4.580 . 4.720 2.281 1.942 2.748 . 0 0 "[ . 1 . 2]" 1
1859 1 92 ARG HA 1 92 ARG QD 4.400 . 4.530 4.134 3.469 4.554 0.024 16 0 "[ . 1 . 2]" 1
1860 1 92 ARG HA 1 92 ARG QG 3.510 . 3.620 3.376 3.320 3.461 . 0 0 "[ . 1 . 2]" 1
1861 1 92 ARG QB 1 92 ARG QD 2.810 . 2.890 2.213 2.079 2.404 . 0 0 "[ . 1 . 2]" 1
1862 1 91 SER HA 1 93 GLU H 4.500 . 4.640 3.766 3.458 4.625 . 0 0 "[ . 1 . 2]" 1
1863 1 91 SER QB 1 93 GLU H 3.970 . 4.090 2.963 2.355 3.685 . 0 0 "[ . 1 . 2]" 1
1864 1 91 SER QB 1 93 GLU QB 4.360 . 4.490 3.085 2.301 4.014 . 0 0 "[ . 1 . 2]" 1
1865 1 92 ARG H 1 93 GLU H 5.000 . 5.150 2.532 2.348 2.904 . 0 0 "[ . 1 . 2]" 1
1866 1 92 ARG HA 1 93 GLU H 3.550 . 3.660 3.430 3.310 3.573 . 0 0 "[ . 1 . 2]" 1
1867 1 92 ARG QB 1 93 GLU H 3.740 . 3.850 3.586 3.192 3.742 . 0 0 "[ . 1 . 2]" 1
1868 1 92 ARG QD 1 93 GLU H 4.610 . 4.750 4.194 3.185 4.776 0.026 20 0 "[ . 1 . 2]" 1
1869 1 92 ARG QG 1 93 GLU H 4.240 . 4.370 2.379 1.762 2.789 0.038 5 0 "[ . 1 . 2]" 1
1870 1 92 ARG QG 1 93 GLU HA 4.290 . 4.420 3.595 3.062 4.240 . 0 0 "[ . 1 . 2]" 1
1871 1 92 ARG QG 1 93 GLU QB 4.090 . 4.210 3.992 3.414 4.251 0.041 11 0 "[ . 1 . 2]" 1
1872 1 93 GLU H 1 93 GLU HB2 3.550 . 3.660 2.484 2.204 2.734 . 0 0 "[ . 1 . 2]" 1
1873 1 93 GLU H 1 93 GLU QB 2.940 . 3.030 2.439 2.182 2.652 . 0 0 "[ . 1 . 2]" 1
1874 1 93 GLU H 1 93 GLU QG 4.590 . 4.730 2.615 1.904 3.631 . 0 0 "[ . 1 . 2]" 1
1875 1 90 VAL QG 1 94 ASP HB3 3.330 . 3.430 2.852 1.934 3.481 0.051 15 0 "[ . 1 . 2]" 1
1876 1 93 GLU H 1 94 ASP H 3.850 . 3.970 2.490 2.293 2.697 . 0 0 "[ . 1 . 2]" 1
1877 1 93 GLU H 1 94 ASP HA 5.180 . 5.340 5.130 4.892 5.310 . 0 0 "[ . 1 . 2]" 1
1878 1 93 GLU HB2 1 94 ASP HA 5.000 . 5.150 4.302 4.002 4.762 . 0 0 "[ . 1 . 2]" 1
1879 1 93 GLU QB 1 94 ASP HA 4.220 . 4.350 3.906 3.766 4.106 . 0 0 "[ . 1 . 2]" 1
1880 1 90 VAL QG 1 95 SER H 4.560 . 4.700 3.547 3.092 4.086 . 0 0 "[ . 1 . 2]" 1
1881 1 91 SER H 1 95 SER H 5.500 . 5.660 5.340 4.647 5.715 0.055 18 0 "[ . 1 . 2]" 1
1882 1 92 ARG H 1 95 SER H 5.230 . 5.390 4.911 4.534 5.384 . 0 0 "[ . 1 . 2]" 1
1883 1 92 ARG HA 1 95 SER H 4.220 . 4.350 3.280 2.892 4.032 . 0 0 "[ . 1 . 2]" 1
1884 1 92 ARG QB 1 95 SER H 5.260 . 5.420 4.778 4.495 5.253 . 0 0 "[ . 1 . 2]" 1
1885 1 93 GLU H 1 95 SER H 5.480 . 5.640 3.991 3.596 4.346 . 0 0 "[ . 1 . 2]" 1
1886 1 93 GLU HB2 1 95 SER H 5.500 . 5.660 4.985 4.726 5.547 . 0 0 "[ . 1 . 2]" 1
1887 1 94 ASP HA 1 95 SER HA 4.830 . 4.970 4.660 4.478 4.898 . 0 0 "[ . 1 . 2]" 1
1888 1 94 ASP HB3 1 95 SER H 3.820 . 3.930 3.364 2.349 3.976 0.046 2 0 "[ . 1 . 2]" 1
1889 1 94 ASP HB3 1 95 SER HA 4.340 . 4.470 4.185 3.781 4.477 0.007 5 0 "[ . 1 . 2]" 1
1890 1 94 ASP HB3 1 95 SER QB 5.070 . 5.220 4.613 3.460 5.290 0.070 17 0 "[ . 1 . 2]" 1
1891 1 96 GLN H 1 96 GLN QB 3.550 . 3.660 2.551 2.304 3.348 . 0 0 "[ . 1 . 2]" 1
1892 1 96 GLN H 1 96 GLN QG 4.370 . 4.500 3.121 1.891 4.526 0.026 7 0 "[ . 1 . 2]" 1
1893 1 96 GLN HA 1 96 GLN QG 3.550 . 3.660 2.698 2.306 3.494 . 0 0 "[ . 1 . 2]" 1
1894 1 95 SER HA 1 97 ARG H 4.860 . 5.010 4.099 3.001 5.040 0.030 7 0 "[ . 1 . 2]" 1
1895 1 96 GLN H 1 97 ARG H 4.300 . 4.430 2.601 2.049 4.169 . 0 0 "[ . 1 . 2]" 1
1896 1 96 GLN QE 1 97 ARG H 5.340 . 5.500 4.879 3.455 5.621 0.121 9 0 "[ . 1 . 2]" 1
1897 1 96 GLN QG 1 97 ARG H 5.050 . 5.200 4.059 2.050 4.820 . 0 0 "[ . 1 . 2]" 1
1898 2 1 U H1' 2 1 U H4' 3.910 . 4.030 3.709 3.098 3.984 . 0 0 "[ . 1 . 2]" 1
1899 2 1 U H2' 2 1 U H6 3.100 . 3.190 1.844 1.737 2.135 0.063 7 0 "[ . 1 . 2]" 1
1900 2 1 U H5'' 2 1 U H6 3.900 . 4.020 2.931 1.793 4.060 0.040 17 0 "[ . 1 . 2]" 1
1901 2 1 U H5' 2 1 U H6 3.900 . 4.020 3.651 2.396 4.065 0.045 13 0 "[ . 1 . 2]" 1
1902 2 1 U H2' 2 1 U H5 4.940 . 5.090 4.088 4.027 4.328 . 0 0 "[ . 1 . 2]" 1
1903 2 1 U H2' 2 1 U H5' 4.380 . 4.510 3.837 2.643 4.540 0.030 6 0 "[ . 1 . 2]" 1
1904 2 1 U H2' 2 1 U H5'' 4.380 . 4.510 3.246 2.359 4.548 0.038 19 0 "[ . 1 . 2]" 1
1905 2 1 U H3' 2 1 U H5' 3.790 . 3.900 2.993 2.151 3.772 . 0 0 "[ . 1 . 2]" 1
1906 2 1 U H3' 2 1 U H5'' 3.790 . 3.900 2.762 2.238 3.624 . 0 0 "[ . 1 . 2]" 1
1907 2 1 U H2' 2 1 U H3' 2.790 . 2.870 2.374 2.318 2.426 . 0 0 "[ . 1 . 2]" 1
1908 2 1 U H4' 2 1 U Q5' 2.590 . 2.670 2.234 2.120 2.529 . 0 0 "[ . 1 . 2]" 1
1909 2 1 U H3' 2 1 U Q5' 3.030 . 3.120 2.401 2.128 3.030 . 0 0 "[ . 1 . 2]" 1
1910 2 1 U H2' 2 1 U Q5' 3.510 . 3.620 2.919 2.340 3.502 . 0 0 "[ . 1 . 2]" 1
1911 2 1 U H1' 2 1 U Q5' 4.610 . 4.750 4.045 3.721 4.333 . 0 0 "[ . 1 . 2]" 1
1912 2 1 U H5 2 1 U Q5' 5.340 . 5.500 4.255 3.110 5.246 . 0 0 "[ . 1 . 2]" 1
1913 2 1 U H4' 2 2 U H3' 5.330 . 5.490 4.895 4.117 5.575 0.085 8 0 "[ . 1 . 2]" 1
1914 2 1 U Q5' 2 2 U H5 5.340 . 5.500 2.695 1.931 3.839 . 0 0 "[ . 1 . 2]" 1
1915 2 1 U Q5' 2 2 U H6 4.940 . 5.090 2.164 1.752 3.374 0.048 4 0 "[ . 1 . 2]" 1
1916 2 2 U H1' 2 2 U H4' 4.980 . 5.130 3.383 3.198 3.648 . 0 0 "[ . 1 . 2]" 1
1917 2 2 U H3' 2 2 U H6 4.030 . 4.150 4.165 4.025 4.261 0.111 17 0 "[ . 1 . 2]" 1
1918 2 2 U H2' 2 2 U H6 3.310 . 3.410 2.423 1.956 2.758 . 0 0 "[ . 1 . 2]" 1
1919 2 2 U H2' 2 2 U H3' 3.040 . 3.130 2.405 2.373 2.437 . 0 0 "[ . 1 . 2]" 1
1920 2 2 U H3' 2 2 U Q5' 3.540 . 3.650 2.772 2.379 3.067 . 0 0 "[ . 1 . 2]" 1
1921 2 2 U H1' 2 2 U Q5' 4.720 . 4.860 3.991 3.881 4.214 . 0 0 "[ . 1 . 2]" 1
1922 2 2 U H5 2 2 U Q5' 5.340 . 5.500 4.458 3.803 5.064 . 0 0 "[ . 1 . 2]" 1
1923 2 2 U Q5' 2 2 U H6 4.380 . 4.510 2.462 1.938 3.139 . 0 0 "[ . 1 . 2]" 1
1924 2 2 U H1' 2 3 A H8 5.500 . 5.660 5.202 4.629 5.667 0.007 16 0 "[ . 1 . 2]" 1
1925 2 2 U H4' 2 3 A H8 5.500 . 5.660 5.592 5.303 5.726 0.066 14 0 "[ . 1 . 2]" 1
1926 2 3 A H1' 2 3 A H2 4.820 . 4.960 4.583 4.408 4.755 . 0 0 "[ . 1 . 2]" 1
1927 2 3 A H2' 2 3 A H8 3.090 . 3.180 2.078 1.839 2.343 . 0 0 "[ . 1 . 2]" 1
1928 2 3 A H1' 2 3 A H4' 4.810 . 4.950 3.450 3.173 3.850 . 0 0 "[ . 1 . 2]" 1
1929 2 3 A H3' 2 3 A Q5' 3.560 . 3.670 2.675 2.135 3.083 . 0 0 "[ . 1 . 2]" 1
1930 2 3 A H2' 2 3 A Q5' 4.350 . 4.480 3.118 2.698 3.441 . 0 0 "[ . 1 . 2]" 1
1931 2 3 A H1' 2 3 A Q5' 4.980 . 5.130 4.112 3.857 4.276 . 0 0 "[ . 1 . 2]" 1
1932 2 3 A Q5' 2 3 A H8 4.880 . 5.030 3.855 2.853 4.399 . 0 0 "[ . 1 . 2]" 1
1933 2 3 A H2 2 4 G H1 4.500 . 4.640 2.927 2.347 3.395 . 0 0 "[ . 1 . 2]" 1
1934 2 4 G H1' 2 4 G H8 2.860 . 2.950 2.513 2.469 2.583 . 0 0 "[ . 1 . 2]" 1
1935 2 4 G H1' 2 4 G H4' 3.970 . 4.090 2.772 2.541 2.984 . 0 0 "[ . 1 . 2]" 1
1936 2 4 G H2' 2 4 G H8 5.040 . 5.190 4.621 4.452 4.750 . 0 0 "[ . 1 . 2]" 1
1937 2 4 G H2' 2 4 G H4' 3.920 . 4.040 3.855 3.774 3.888 . 0 0 "[ . 1 . 2]" 1
1938 2 4 G H4' 2 4 G H8 5.160 . 5.310 5.067 4.771 5.365 0.055 14 0 "[ . 1 . 2]" 1
1939 2 4 G H1' 2 5 G H8 3.280 . 3.380 1.902 1.702 2.513 0.098 18 0 "[ . 1 . 2]" 1
1940 2 4 G H8 2 5 G H8 3.800 . 3.910 2.738 1.728 3.594 0.072 14 0 "[ . 1 . 2]" 1
1941 2 4 G H2' 2 5 G H8 5.240 . 5.400 4.752 4.399 5.421 0.021 9 0 "[ . 1 . 2]" 1
1942 2 4 G H1' 2 5 G H4' 5.500 . 5.660 5.219 4.136 5.736 0.076 10 0 "[ . 1 . 2]" 1
1943 2 4 G H3' 2 5 G Q5' 5.010 . 5.160 3.924 3.269 5.003 . 0 0 "[ . 1 . 2]" 1
1944 2 4 G H1' 2 5 G Q5' 3.690 . 3.800 2.755 1.749 3.731 0.051 6 0 "[ . 1 . 2]" 1
1945 2 5 G H1' 2 5 G H3' 4.050 . 4.170 3.939 3.847 4.145 . 0 0 "[ . 1 . 2]" 1
1946 2 5 G H2' 2 5 G H8 4.200 . 4.330 4.352 4.006 4.566 0.236 1 0 "[ . 1 . 2]" 1
1947 2 5 G H3' 2 5 G H8 4.380 . 4.510 3.818 2.998 4.578 0.068 6 0 "[ . 1 . 2]" 1
1948 2 5 G H4' 2 5 G H8 4.700 . 4.840 4.189 3.700 4.784 . 0 0 "[ . 1 . 2]" 1
1949 2 5 G H1' 2 5 G H4' 4.600 . 4.740 3.699 3.223 3.949 . 0 0 "[ . 1 . 2]" 1
1950 2 5 G H2' 2 5 G H5'' 5.500 . 5.660 4.637 3.288 5.404 . 0 0 "[ . 1 . 2]" 1
1951 2 5 G H2' 2 5 G H4' 4.100 . 4.220 3.953 3.748 4.085 . 0 0 "[ . 1 . 2]" 1
1952 2 5 G H2' 2 5 G H5' 5.500 . 5.660 4.382 3.658 5.147 . 0 0 "[ . 1 . 2]" 1
1953 2 5 G H2' 2 5 G Q5' 4.720 . 4.860 3.974 3.160 4.641 . 0 0 "[ . 1 . 2]" 1
1954 2 5 G Q5' 2 5 G H8 3.790 . 3.900 2.200 1.641 3.478 0.159 2 0 "[ . 1 . 2]" 1
1955 2 5 G H8 2 6 U H5 4.590 . 4.730 2.764 1.763 4.101 0.037 9 0 "[ . 1 . 2]" 1
1956 2 5 G H2' 2 6 U H5 5.410 . 5.570 4.317 2.000 5.635 0.065 19 0 "[ . 1 . 2]" 1
1957 2 5 G H8 2 6 U H6 4.690 . 4.830 3.535 2.735 4.270 . 0 0 "[ . 1 . 2]" 1
1958 2 5 G H2' 2 6 U H6 4.240 . 4.370 4.145 3.575 4.443 0.073 6 0 "[ . 1 . 2]" 1
1959 2 5 G H4' 2 6 U H5 5.500 . 5.660 5.340 4.462 5.700 0.040 13 0 "[ . 1 . 2]" 1
1960 2 5 G Q5' 2 6 U H5 4.590 . 4.730 3.114 1.726 4.196 0.074 19 0 "[ . 1 . 2]" 1
1961 2 5 G H2' 2 6 U Q5' 5.220 . 5.380 3.631 1.769 5.398 0.031 19 0 "[ . 1 . 2]" 1
1962 2 5 G H8 2 6 U Q5' 5.340 . 5.500 4.716 3.989 5.550 0.050 6 0 "[ . 1 . 2]" 1
1963 2 6 U H1' 2 6 U H3' 4.210 . 4.340 3.914 3.802 4.061 . 0 0 "[ . 1 . 2]" 1
1964 2 6 U H1' 2 6 U H4' 4.150 . 4.270 3.482 3.151 3.818 . 0 0 "[ . 1 . 2]" 1
1965 2 6 U H2' 2 6 U H6 2.890 . 2.980 2.156 1.718 2.677 0.082 20 0 "[ . 1 . 2]" 1
1966 2 6 U H4' 2 6 U H6 4.500 . 4.640 4.451 4.113 4.676 0.036 1 0 "[ . 1 . 2]" 1
1967 2 6 U H1' 2 6 U H5' 5.210 . 5.370 4.648 3.984 5.069 . 0 0 "[ . 1 . 2]" 1
1968 2 6 U H1' 2 6 U H5'' 5.210 . 5.370 4.577 4.023 5.076 . 0 0 "[ . 1 . 2]" 1
1969 2 6 U H2' 2 6 U H3' 2.670 . 2.750 2.406 2.369 2.447 . 0 0 "[ . 1 . 2]" 1
1970 2 6 U H3' 2 6 U H4' 2.940 . 3.030 2.677 2.626 2.781 . 0 0 "[ . 1 . 2]" 1
1971 2 6 U H2' 2 6 U H5 5.170 . 5.330 4.274 4.030 4.601 . 0 0 "[ . 1 . 2]" 1
1972 2 6 U H3' 2 6 U Q5' 3.120 . 3.210 2.564 2.170 3.077 . 0 0 "[ . 1 . 2]" 1
1973 2 6 U H1' 2 6 U Q5' 4.570 . 4.710 4.038 3.831 4.303 . 0 0 "[ . 1 . 2]" 1
1974 2 6 U H5 2 6 U Q5' 5.340 . 5.500 4.498 3.521 5.506 0.006 5 0 "[ . 1 . 2]" 1
1975 2 6 U Q5' 2 6 U H6 3.920 . 4.040 2.549 1.790 3.634 0.010 2 0 "[ . 1 . 2]" 1
1976 2 6 U H3' 2 7 C H6 4.610 . 4.750 3.457 2.007 4.822 0.072 11 0 "[ . 1 . 2]" 1
1977 2 6 U H4' 2 7 C H5 5.500 . 5.660 3.832 2.158 5.568 . 0 0 "[ . 1 . 2]" 1
1978 2 6 U Q5' 2 7 C H5 5.180 . 5.340 3.382 2.154 4.586 . 0 0 "[ . 1 . 2]" 1
1979 2 6 U Q5' 2 7 C H6 4.930 . 5.080 3.795 2.434 5.089 0.009 8 0 "[ . 1 . 2]" 1
1980 2 7 C H1' 2 7 C H2' 3.030 . 3.120 2.809 2.753 2.904 . 0 0 "[ . 1 . 2]" 1
1981 2 7 C H1' 2 7 C H3' 4.000 . 4.120 3.898 3.871 3.936 . 0 0 "[ . 1 . 2]" 1
1982 2 7 C H3' 2 7 C H5 4.570 . 4.710 4.434 4.087 4.761 0.051 13 0 "[ . 1 . 2]" 1
1983 2 7 C H2' 2 7 C H6 3.590 . 3.700 3.101 1.761 3.785 0.085 13 0 "[ . 1 . 2]" 1
1984 2 7 C H3' 2 7 C H6 3.080 . 3.170 2.349 1.783 2.925 0.017 7 0 "[ . 1 . 2]" 1
1985 1 56 GLY HA3 2 1 U H2' 3.870 . 3.990 1.863 1.676 2.477 0.124 3 0 "[ . 1 . 2]" 1
1986 1 56 GLY HA3 2 1 U H1' 4.000 . 4.120 4.175 4.094 4.223 0.103 5 0 "[ . 1 . 2]" 1
1987 1 23 PHE QE 2 1 U H1' 5.500 . 5.660 3.813 3.327 4.327 . 0 0 "[ . 1 . 2]" 1
1988 1 23 PHE HZ 2 1 U H3' 6.500 . 6.700 6.278 5.584 6.701 0.001 7 0 "[ . 1 . 2]" 1
1989 1 23 PHE HZ 2 1 U H4' 6.500 . 6.700 6.593 6.114 6.770 0.070 15 0 "[ . 1 . 2]" 1
1990 1 23 PHE HZ 2 1 U H5 5.500 . 5.660 5.498 4.399 5.722 0.062 2 0 "[ . 1 . 2]" 1
1991 1 23 PHE HZ 2 1 U H6 6.000 . 6.180 4.802 3.942 5.104 . 0 0 "[ . 1 . 2]" 1
1992 1 23 PHE QE 2 1 U H6 5.500 . 5.660 4.735 3.815 5.205 . 0 0 "[ . 1 . 2]" 1
1993 1 23 PHE HZ 2 1 U H2' 5.000 . 5.150 4.478 3.943 4.852 . 0 0 "[ . 1 . 2]" 1
1994 1 23 PHE HA 2 1 U H5 6.500 . 6.700 6.183 3.741 6.705 0.005 18 0 "[ . 1 . 2]" 1
1995 1 56 GLY HA2 2 1 U H1' 5.500 . 5.660 5.481 5.253 5.694 0.034 9 0 "[ . 1 . 2]" 1
1996 1 56 GLY HA2 2 1 U H2' 5.500 . 5.660 3.185 2.597 4.222 . 0 0 "[ . 1 . 2]" 1
1997 1 57 PHE HB2 2 1 U H2' 6.500 . 6.700 6.401 5.698 6.761 0.061 2 0 "[ . 1 . 2]" 1
1998 1 57 PHE QD 2 2 U H4' 3.530 . 3.640 2.516 1.867 3.121 . 0 0 "[ . 1 . 2]" 1
1999 1 20 GLY HA2 2 2 U H6 3.930 . 4.050 3.677 3.231 4.076 0.026 12 0 "[ . 1 . 2]" 1
2000 1 20 GLY HA2 2 2 U H5 3.620 . 3.730 3.066 2.450 3.568 . 0 0 "[ . 1 . 2]" 1
2001 1 19 GLY HA3 2 2 U H1' 3.490 . 3.590 2.759 2.415 3.037 . 0 0 "[ . 1 . 2]" 1
2002 1 19 GLY HA2 2 2 U H1' 4.610 . 4.750 4.036 3.772 4.305 . 0 0 "[ . 1 . 2]" 1
2003 1 17 PHE HZ 2 2 U H4' 3.080 . 3.170 2.691 2.139 3.007 . 0 0 "[ . 1 . 2]" 1
2004 1 17 PHE QE 2 2 U H4' 4.130 . 4.250 3.597 3.182 3.900 . 0 0 "[ . 1 . 2]" 1
2005 1 19 GLY HA2 2 2 U Q5' 3.740 . 3.850 3.751 3.389 3.947 0.097 10 0 "[ . 1 . 2]" 1
2006 1 19 GLY HA3 2 2 U Q5' 4.010 . 4.130 3.983 3.735 4.123 . 0 0 "[ . 1 . 2]" 1
2007 1 57 PHE QB 2 2 U Q5' 2.860 . 2.950 2.420 1.789 2.970 0.020 18 0 "[ . 1 . 2]" 1
2008 1 17 PHE QE 2 2 U H1' 5.500 . 5.660 2.013 1.776 2.330 0.024 10 0 "[ . 1 . 2]" 1
2009 1 19 GLY HA2 2 2 U H4' 5.500 . 5.660 4.322 3.998 4.654 . 0 0 "[ . 1 . 2]" 1
2010 1 19 GLY HA3 2 2 U H4' 5.500 . 5.660 4.372 4.059 4.660 . 0 0 "[ . 1 . 2]" 1
2011 1 20 GLY QA 2 2 U H2' 5.800 . 5.970 5.521 5.234 5.878 . 0 0 "[ . 1 . 2]" 1
2012 1 57 PHE QD 2 2 U H2' 5.600 . 5.770 5.503 4.898 5.913 0.143 9 0 "[ . 1 . 2]" 1
2013 1 57 PHE QD 2 2 U H1' 4.500 . 4.640 4.733 4.657 4.815 0.175 10 0 "[ . 1 . 2]" 1
2014 1 57 PHE HB2 2 2 U H4' 4.400 . 4.530 3.575 3.012 4.093 . 0 0 "[ . 1 . 2]" 1
2015 1 87 LYS HE2 2 2 U H1' 5.500 . 5.660 4.828 4.128 6.117 0.457 20 0 "[ . 1 . 2]" 1
2016 1 19 GLY H 2 2 U H1' 5.500 . 5.660 4.593 4.228 4.859 . 0 0 "[ . 1 . 2]" 1
2017 1 19 GLY H 2 2 U H5 5.700 . 5.870 5.917 5.787 5.980 0.110 8 0 "[ . 1 . 2]" 1
2018 1 59 PHE HZ 2 3 A H2 4.150 . 4.270 3.881 3.499 4.235 . 0 0 "[ . 1 . 2]" 1
2019 1 59 PHE HZ 2 3 A H1' 3.740 . 3.850 2.636 2.259 3.020 . 0 0 "[ . 1 . 2]" 1
2020 1 59 PHE HZ 2 3 A H4' 4.330 . 4.460 3.418 3.147 3.764 . 0 0 "[ . 1 . 2]" 1
2021 1 89 ALA HA 2 3 A H2 2.940 . 3.030 2.031 1.782 2.337 0.018 13 0 "[ . 1 . 2]" 1
2022 1 89 ALA MB 2 3 A H2 2.580 . 2.660 2.004 1.787 2.278 0.013 4 0 "[ . 1 . 2]" 1
2023 1 59 PHE QE 2 3 A H2 3.040 . 3.130 2.068 1.839 2.359 . 0 0 "[ . 1 . 2]" 1
2024 1 46 MET ME 2 3 A H1' 5.310 . 5.470 5.278 5.072 5.454 . 0 0 "[ . 1 . 2]" 1
2025 1 59 PHE QE 2 3 A H1' 4.320 . 4.450 3.878 3.572 4.198 . 0 0 "[ . 1 . 2]" 1
2026 1 12 GLN HG3 2 3 A H2 6.500 . 6.700 5.985 5.485 6.796 0.096 10 0 "[ . 1 . 2]" 1
2027 1 17 PHE HB3 2 3 A H2 5.000 . 5.150 4.256 3.793 4.870 . 0 0 "[ . 1 . 2]" 1
2028 1 17 PHE HZ 2 3 A H1' 6.000 . 6.180 5.322 4.860 5.851 . 0 0 "[ . 1 . 2]" 1
2029 1 17 PHE HZ 2 3 A H3' 5.600 . 5.770 5.671 5.266 5.879 0.109 17 0 "[ . 1 . 2]" 1
2030 1 17 PHE HZ 2 3 A H4' 4.700 . 4.840 4.781 4.587 4.872 0.032 2 0 "[ . 1 . 2]" 1
2031 1 17 PHE QE 2 3 A H3' 6.000 . 6.180 5.411 4.975 5.856 . 0 0 "[ . 1 . 2]" 1
2032 1 17 PHE QE 2 3 A H8 6.000 . 6.180 4.070 3.598 4.466 . 0 0 "[ . 1 . 2]" 1
2033 1 46 MET ME 2 3 A H2 6.500 . 6.700 6.750 6.544 6.852 0.152 17 0 "[ . 1 . 2]" 1
2034 1 46 MET ME 2 3 A H4' 3.700 . 3.810 3.898 3.780 3.999 0.189 7 0 "[ . 1 . 2]" 1
2035 1 46 MET ME 2 3 A H3' 5.600 . 5.770 5.803 5.613 5.901 0.131 1 0 "[ . 1 . 2]" 1
2036 1 57 PHE QD 2 3 A H8 6.500 . 6.700 6.542 6.097 6.745 0.045 8 0 "[ . 1 . 2]" 1
2037 1 57 PHE QD 2 3 A H1' 6.000 . 6.180 6.022 5.384 6.258 0.078 16 0 "[ . 1 . 2]" 1
2038 1 57 PHE QE 2 3 A H1' 5.500 . 5.660 5.092 4.099 5.785 0.125 10 0 "[ . 1 . 2]" 1
2039 1 59 PHE QD 2 3 A H2 5.000 . 5.150 3.869 3.533 4.273 . 0 0 "[ . 1 . 2]" 1
2040 1 90 VAL HB 2 3 A H2 4.900 . 5.050 4.512 3.841 5.144 0.094 20 0 "[ . 1 . 2]" 1
2041 1 90 VAL MG1 2 3 A H1' 6.000 . 6.180 5.116 3.609 6.216 0.036 17 0 "[ . 1 . 2]" 1
2042 1 90 VAL MG1 2 3 A H2 5.500 . 5.660 4.217 2.919 5.669 0.009 12 0 "[ . 1 . 2]" 1
2043 1 90 VAL MG2 2 3 A H2 6.500 . 6.700 4.443 2.725 5.608 . 0 0 "[ . 1 . 2]" 1
2044 1 90 VAL MG1 2 3 A H8 6.500 . 6.700 5.641 4.317 6.763 0.063 14 0 "[ . 1 . 2]" 1
2045 1 90 VAL MG2 2 3 A H8 6.500 . 6.700 6.014 4.887 6.742 0.042 3 0 "[ . 1 . 2]" 1
2046 1 91 SER HA 2 3 A H2 6.500 . 6.700 6.217 5.167 6.578 . 0 0 "[ . 1 . 2]" 1
2047 1 90 VAL H 2 3 A H1' 6.000 . 6.180 5.487 5.150 6.020 . 0 0 "[ . 1 . 2]" 1
2048 1 90 VAL H 2 3 A H2 3.200 . 3.300 2.108 1.773 2.505 0.027 14 0 "[ . 1 . 2]" 1
2049 1 59 PHE HZ 2 4 G H8 5.010 . 5.160 5.073 4.531 5.252 0.092 16 0 "[ . 1 . 2]" 1
2050 1 46 MET ME 2 4 G H4' 2.400 . 2.470 2.464 2.083 2.596 0.126 5 0 "[ . 1 . 2]" 1
2051 1 46 MET ME 2 4 G H1' 2.450 . 2.520 2.046 1.672 2.576 0.128 14 0 "[ . 1 . 2]" 1
2052 1 46 MET ME 2 4 G H8 2.650 . 2.730 2.644 2.446 2.803 0.073 1 0 "[ . 1 . 2]" 1
2053 1 59 PHE QE 2 4 G H8 4.010 . 4.130 4.039 3.679 4.175 0.045 13 0 "[ . 1 . 2]" 1
2054 1 46 MET HG3 2 4 G H1' 5.500 . 5.660 4.882 4.295 5.262 . 0 0 "[ . 1 . 2]" 1
2055 1 44 VAL QG 2 4 G H8 4.180 . 4.310 3.650 3.245 4.164 . 0 0 "[ . 1 . 2]" 1
2056 1 46 MET QG 2 4 G H4' 3.800 . 3.910 3.282 2.275 3.621 . 0 0 "[ . 1 . 2]" 1
2057 1 46 MET QG 2 4 G H1' 4.760 . 4.900 4.480 3.787 4.859 . 0 0 "[ . 1 . 2]" 1
2058 1 11 GLU QG 2 4 G H8 6.500 . 6.700 6.692 6.401 6.795 0.095 11 0 "[ . 1 . 2]" 1
2059 1 15 LYS HE3 2 4 G H8 5.000 . 5.150 3.987 3.783 4.463 . 0 0 "[ . 1 . 2]" 1
2060 1 15 LYS HE3 2 4 G H1' 6.500 . 6.700 6.329 6.095 6.770 0.070 12 0 "[ . 1 . 2]" 1
2061 1 44 VAL MG1 2 4 G H1' 6.000 . 6.180 4.851 4.419 5.160 . 0 0 "[ . 1 . 2]" 1
2062 1 44 VAL MG2 2 4 G H1' 6.300 . 6.490 5.524 4.941 6.224 . 0 0 "[ . 1 . 2]" 1
2063 1 46 MET ME 2 4 G H2' 5.000 . 5.150 4.143 4.050 4.336 . 0 0 "[ . 1 . 2]" 1
2064 1 46 MET HB3 2 4 G H4' 5.800 . 5.970 4.646 4.238 5.036 . 0 0 "[ . 1 . 2]" 1
2065 1 46 MET HG3 2 4 G H8 6.000 . 6.180 6.069 5.817 6.238 0.058 11 0 "[ . 1 . 2]" 1
2066 1 46 MET HG3 2 4 G H2' 6.500 . 6.700 6.534 6.136 6.771 0.071 14 0 "[ . 1 . 2]" 1
2067 1 92 ARG QD 2 4 G H2' 5.000 . 5.150 4.281 2.921 5.163 0.013 15 0 "[ . 1 . 2]" 1
2068 1 92 ARG QD 2 4 G H8 5.700 . 5.870 4.600 3.578 5.838 . 0 0 "[ . 1 . 2]" 1
2069 1 92 ARG HA 2 4 G H1 5.500 . 5.660 3.601 2.936 4.440 . 0 0 "[ . 1 . 2]" 1
2070 1 90 VAL HA 2 4 G H1 4.500 . 4.640 4.694 4.510 4.817 0.177 13 0 "[ . 1 . 2]" 1
2071 1 90 VAL MG1 2 4 G H1 6.000 . 6.180 3.297 2.109 4.680 . 0 0 "[ . 1 . 2]" 1
2072 1 89 ALA MB 2 4 G H1 5.500 . 5.660 3.663 3.269 4.126 . 0 0 "[ . 1 . 2]" 1
2073 1 15 LYS QD 2 4 G H1 6.500 . 6.700 5.065 4.568 6.024 . 0 0 "[ . 1 . 2]" 1
2074 1 44 VAL HB 2 5 G H1' 4.350 . 4.480 4.203 3.617 4.572 0.092 19 0 "[ . 1 . 2]" 1
2075 1 44 VAL MG2 2 5 G H1' 3.820 . 3.930 1.853 1.768 2.172 0.032 4 0 "[ . 1 . 2]" 1
2076 1 44 VAL MG1 2 5 G H1' 3.820 . 3.930 3.113 2.048 3.886 . 0 0 "[ . 1 . 2]" 1
2077 1 46 MET ME 2 5 G H8 3.000 . 3.090 1.851 1.727 2.170 0.073 1 0 "[ . 1 . 2]" 1
2078 1 92 ARG QD 2 5 G H8 5.500 . 5.660 5.463 4.560 5.730 0.070 15 0 "[ . 1 . 2]" 1
2079 1 44 VAL QG 2 5 G H1' 2.510 . 2.590 1.833 1.722 2.142 0.078 6 0 "[ . 1 . 2]" 1
2080 1 46 MET QG 2 5 G H1' 5.340 . 5.500 4.759 3.821 5.465 . 0 0 "[ . 1 . 2]" 1
2081 1 46 MET ME 2 5 G Q5' 3.120 . 3.210 2.965 2.036 3.273 0.063 17 0 "[ . 1 . 2]" 1
2082 1 45 VAL MG1 2 5 G H1' 6.500 . 6.700 6.771 6.700 6.835 0.135 1 0 "[ . 1 . 2]" 1
2083 1 46 MET ME 2 5 G H1' 4.000 . 4.120 3.136 2.421 3.895 . 0 0 "[ . 1 . 2]" 1
2084 1 46 MET ME 2 5 G H2' 5.500 . 5.660 4.840 4.483 5.366 . 0 0 "[ . 1 . 2]" 1
2085 1 46 MET ME 2 5 G H4' 5.300 . 5.460 4.286 3.357 4.935 . 0 0 "[ . 1 . 2]" 1
2086 1 46 MET HG3 2 5 G H8 6.000 . 6.180 5.092 3.918 5.648 . 0 0 "[ . 1 . 2]" 1
2087 1 92 ARG QD 2 6 U H5 5.500 . 5.660 4.230 3.179 5.443 . 0 0 "[ . 1 . 2]" 1
2088 1 92 ARG QG 2 6 U H6 6.000 . 6.180 5.996 5.214 6.278 0.098 19 0 "[ . 1 . 2]" 1
2089 1 92 ARG QB 2 6 U H1' 6.500 . 6.700 6.286 4.956 6.788 0.088 8 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 48
_Distance_constraint_stats_list.Viol_count 27
_Distance_constraint_stats_list.Viol_total 6.931
_Distance_constraint_stats_list.Viol_max 0.034
_Distance_constraint_stats_list.Viol_rms 0.0026
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0128
_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 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.162 0.034 3 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PHE 0.162 0.034 3 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 MET 0.051 0.029 4 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 0.051 0.029 4 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.005 0.005 2 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.005 0.005 2 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 HIS 0.059 0.019 20 0 "[ . 1 . 2]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 0.059 0.019 20 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 VAL 0.070 0.030 7 0 "[ . 1 . 2]"
2 3 A 0.070 0.030 7 0 "[ . 1 . 2]"
2 4 G 0.000 0.000 . 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 16 LEU O 1 60 VAL H 1.900 . 2.500 2.135 1.991 2.308 . 0 0 "[ . 1 . 2]" 2
2 1 16 LEU H 1 60 VAL O 1.900 . 2.500 1.748 1.616 1.980 . 0 0 "[ . 1 . 2]" 2
3 1 44 VAL O 1 59 PHE H 1.900 . 2.500 1.697 1.653 1.782 . 0 0 "[ . 1 . 2]" 2
4 1 44 VAL H 1 59 PHE O 1.900 . 2.500 1.964 1.865 2.115 . 0 0 "[ . 1 . 2]" 2
5 1 18 ILE O 1 58 GLY H 1.900 . 2.500 1.813 1.728 1.941 . 0 0 "[ . 1 . 2]" 2
6 1 18 ILE H 1 58 GLY O 1.900 . 2.500 1.882 1.783 2.004 . 0 0 "[ . 1 . 2]" 2
7 1 46 MET H 1 57 PHE O 1.900 . 2.500 2.270 1.963 2.529 0.029 4 0 "[ . 1 . 2]" 2
8 1 20 GLY H 1 56 GLY O 1.900 . 2.500 2.096 1.863 2.405 . 0 0 "[ . 1 . 2]" 2
9 1 17 PHE O 1 87 LYS H 1.900 . 2.500 1.974 1.886 2.085 . 0 0 "[ . 1 . 2]" 2
10 1 17 PHE H 1 87 LYS O 1.900 . 2.500 1.643 1.614 1.667 . 0 0 "[ . 1 . 2]" 2
11 1 42 ASP O 1 61 THR H 1.900 . 2.500 1.696 1.618 1.823 . 0 0 "[ . 1 . 2]" 2
12 1 26 THR O 1 30 LEU H 1.900 . 2.500 1.801 1.724 1.905 . 0 0 "[ . 1 . 2]" 2
13 1 27 ASP O 1 31 ARG H 1.900 . 2.500 1.971 1.757 2.201 . 0 0 "[ . 1 . 2]" 2
14 1 28 GLU O 1 32 SER H 1.900 . 2.500 2.273 2.072 2.479 . 0 0 "[ . 1 . 2]" 2
15 1 30 LEU O 1 34 PHE H 1.900 . 2.500 2.378 2.060 2.534 0.034 3 0 "[ . 1 . 2]" 2
16 1 31 ARG O 1 35 GLU H 1.900 . 2.500 1.780 1.698 1.899 . 0 0 "[ . 1 . 2]" 2
17 1 65 VAL O 1 69 ASP H 1.900 . 2.500 2.011 1.879 2.231 . 0 0 "[ . 1 . 2]" 2
18 1 66 GLU O 1 70 ALA H 1.900 . 2.500 2.333 2.067 2.505 0.005 2 0 "[ . 1 . 2]" 2
19 1 67 GLU O 1 71 ALA H 1.900 . 2.500 2.115 2.011 2.328 . 0 0 "[ . 1 . 2]" 2
20 1 68 VAL O 1 72 MET H 1.900 . 2.500 2.038 1.948 2.131 . 0 0 "[ . 1 . 2]" 2
21 1 79 VAL H 1 82 ARG O 1.900 . 2.500 1.933 1.743 2.132 . 0 0 "[ . 1 . 2]" 2
22 1 77 HIS O 1 84 VAL H 1.900 . 2.500 2.342 1.826 2.519 0.019 20 0 "[ . 1 . 2]" 2
23 1 16 LEU O 1 60 VAL N 2.900 2.400 3.600 3.028 2.886 3.190 . 0 0 "[ . 1 . 2]" 2
24 1 16 LEU N 1 60 VAL O 2.900 2.400 3.600 2.693 2.590 2.895 . 0 0 "[ . 1 . 2]" 2
25 1 44 VAL O 1 59 PHE N 2.900 2.400 3.600 2.675 2.629 2.764 . 0 0 "[ . 1 . 2]" 2
26 1 44 VAL N 1 59 PHE O 2.900 2.400 3.600 2.926 2.838 3.027 . 0 0 "[ . 1 . 2]" 2
27 1 18 ILE O 1 58 GLY N 2.900 2.400 3.600 2.754 2.695 2.837 . 0 0 "[ . 1 . 2]" 2
28 1 18 ILE N 1 58 GLY O 2.900 2.400 3.600 2.811 2.728 2.926 . 0 0 "[ . 1 . 2]" 2
29 1 46 MET N 1 57 PHE O 2.900 2.400 3.600 3.198 2.855 3.456 . 0 0 "[ . 1 . 2]" 2
30 1 20 GLY N 1 56 GLY O 2.900 2.400 3.600 2.926 2.723 3.168 . 0 0 "[ . 1 . 2]" 2
31 1 17 PHE O 1 87 LYS N 2.900 2.400 3.600 2.935 2.857 3.049 . 0 0 "[ . 1 . 2]" 2
32 1 17 PHE N 1 87 LYS O 2.900 2.400 3.600 2.611 2.580 2.649 . 0 0 "[ . 1 . 2]" 2
33 1 42 ASP O 1 61 THR N 2.900 2.400 3.600 2.652 2.590 2.755 . 0 0 "[ . 1 . 2]" 2
34 1 26 THR O 1 30 LEU N 2.900 2.400 3.600 2.696 2.619 2.789 . 0 0 "[ . 1 . 2]" 2
35 1 27 ASP O 1 31 ARG N 2.900 2.400 3.600 2.938 2.729 3.173 . 0 0 "[ . 1 . 2]" 2
36 1 28 GLU O 1 32 SER N 2.900 2.400 3.600 3.165 2.972 3.354 . 0 0 "[ . 1 . 2]" 2
37 1 30 LEU O 1 34 PHE N 2.900 2.400 3.600 3.113 2.972 3.222 . 0 0 "[ . 1 . 2]" 2
38 1 31 ARG O 1 35 GLU N 2.900 2.400 3.600 2.624 2.584 2.706 . 0 0 "[ . 1 . 2]" 2
39 1 65 VAL O 1 69 ASP N 2.900 2.400 3.600 2.963 2.855 3.176 . 0 0 "[ . 1 . 2]" 2
40 1 66 GLU O 1 70 ALA N 2.900 2.400 3.600 3.212 2.916 3.420 . 0 0 "[ . 1 . 2]" 2
41 1 67 GLU O 1 71 ALA N 2.900 2.400 3.600 3.035 2.913 3.219 . 0 0 "[ . 1 . 2]" 2
42 1 68 VAL O 1 72 MET N 2.900 2.400 3.600 2.924 2.845 3.004 . 0 0 "[ . 1 . 2]" 2
43 1 79 VAL N 1 82 ARG O 2.900 2.400 3.600 2.896 2.719 3.085 . 0 0 "[ . 1 . 2]" 2
44 1 77 HIS O 1 84 VAL N 2.900 2.400 3.600 3.206 2.704 3.368 . 0 0 "[ . 1 . 2]" 2
45 1 90 VAL H 2 3 A N1 1.900 . 2.500 2.191 1.824 2.530 0.030 7 0 "[ . 1 . 2]" 2
46 1 90 VAL O 2 4 G H1 1.900 . 2.500 2.245 2.144 2.398 . 0 0 "[ . 1 . 2]" 2
47 1 90 VAL N 2 3 A N1 2.900 2.400 3.600 2.994 2.745 3.157 . 0 0 "[ . 1 . 2]" 2
48 1 90 VAL O 2 4 G N1 2.900 2.400 3.600 2.821 2.667 3.082 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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