NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403379 |
1wjm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wjm
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 2167
_Distance_constraint_stats_list.Viol_count 3684
_Distance_constraint_stats_list.Viol_total 5041.924
_Distance_constraint_stats_list.Viol_max 0.990
_Distance_constraint_stats_list.Viol_rms 0.0373
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0684
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.031 0.012 11 0 "[ . 1 . 2]"
1 8 GLU 0.908 0.079 7 0 "[ . 1 . 2]"
1 9 GLN 0.746 0.164 8 0 "[ . 1 . 2]"
1 10 MET 3.430 0.164 8 0 "[ . 1 . 2]"
1 11 GLU 11.886 0.513 8 2 "[ . +-1 . 2]"
1 12 GLY 11.321 0.513 8 2 "[ . +-1 . 2]"
1 13 MET 18.863 0.802 8 8 "[ - * +** . ***2]"
1 14 LEU 13.193 0.287 18 0 "[ . 1 . 2]"
1 15 CYS 2.532 0.148 2 0 "[ . 1 . 2]"
1 16 ARG 10.698 0.236 20 0 "[ . 1 . 2]"
1 17 LYS 3.793 0.822 16 1 "[ . 1 .+ 2]"
1 18 GLN 3.885 0.983 7 2 "[ - . + 1 . 2]"
1 19 GLU 3.465 0.822 16 1 "[ . 1 .+ 2]"
1 20 MET 4.811 0.368 16 0 "[ . 1 . 2]"
1 21 GLU 3.411 0.097 7 0 "[ . 1 . 2]"
1 22 ALA 1.348 0.188 12 0 "[ . 1 . 2]"
1 23 PHE 3.233 0.217 20 0 "[ . 1 . 2]"
1 24 GLY 1.703 0.083 20 0 "[ . 1 . 2]"
1 25 LYS 6.031 0.391 5 0 "[ . 1 . 2]"
1 26 LYS 6.701 0.780 9 8 "[* * +* *.* * -]"
1 27 ALA 6.357 0.640 14 6 "[* . * +.* * -]"
1 28 ALA 4.839 0.412 18 0 "[ . 1 . 2]"
1 29 ASN 4.216 0.412 18 0 "[ . 1 . 2]"
1 30 ARG 10.145 0.780 9 9 "[ -** * +* *.* *2]"
1 31 SER 7.190 0.656 9 7 "[ -*. * +* *. *2]"
1 32 TRP 1.807 0.151 2 0 "[ . 1 . 2]"
1 33 GLN 1.472 0.104 9 0 "[ . 1 . 2]"
1 34 ASN 12.767 0.802 8 8 "[- * .**+** . * 2]"
1 35 VAL 11.328 0.665 3 8 "[- + .***** . * 2]"
1 36 TYR 6.776 0.771 3 6 "[ + - *1 . ***2]"
1 37 CYS 4.964 0.120 7 0 "[ . 1 . 2]"
1 38 VAL 3.667 0.098 13 0 "[ . 1 . 2]"
1 39 LEU 2.966 0.095 17 0 "[ . 1 . 2]"
1 40 ARG 2.484 0.095 10 0 "[ . 1 . 2]"
1 41 ARG 3.275 0.413 10 0 "[ . 1 . 2]"
1 42 GLY 1.536 0.137 5 0 "[ . 1 . 2]"
1 43 SER 1.439 0.076 17 0 "[ . 1 . 2]"
1 44 LEU 2.994 0.095 7 0 "[ . 1 . 2]"
1 45 GLY 0.327 0.040 17 0 "[ . 1 . 2]"
1 46 PHE 5.776 0.122 19 0 "[ . 1 . 2]"
1 47 TYR 5.595 0.541 12 1 "[ . 1 + . 2]"
1 48 LYS 13.690 0.990 20 6 "[ . ** * .* * +]"
1 49 ASP 6.922 0.664 9 2 "[ . +1 . -]"
1 50 ALA 4.188 0.167 9 0 "[ . 1 . 2]"
1 51 LYS 5.554 0.358 3 0 "[ . 1 . 2]"
1 52 ALA 4.445 0.205 14 0 "[ . 1 . 2]"
1 53 ALA 3.442 0.205 14 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ALA 0.110 0.026 7 0 "[ . 1 . 2]"
1 56 GLY 0.442 0.038 13 0 "[ . 1 . 2]"
1 57 VAL 0.739 0.057 7 0 "[ . 1 . 2]"
1 58 PRO 1.731 0.094 13 0 "[ . 1 . 2]"
1 59 TYR 13.550 0.990 20 7 "[ * ** * .* * +]"
1 60 HIS 3.336 0.550 5 5 "[ + *1 * . * -]"
1 61 GLY 0.734 0.060 5 0 "[ . 1 . 2]"
1 62 GLU 0.691 0.071 17 0 "[ . 1 . 2]"
1 63 VAL 0.176 0.031 12 0 "[ . 1 . 2]"
1 64 PRO 0.238 0.040 17 0 "[ . 1 . 2]"
1 65 VAL 3.447 0.106 14 0 "[ . 1 . 2]"
1 66 SER 8.165 0.507 5 2 "[ + - 1 . 2]"
1 67 LEU 6.419 0.255 3 0 "[ . 1 . 2]"
1 68 ALA 3.021 0.503 10 1 "[ . + . 2]"
1 69 ARG 3.086 0.503 10 1 "[ . + . 2]"
1 70 ALA 2.706 0.111 15 0 "[ . 1 . 2]"
1 71 GLN 1.279 0.164 11 0 "[ . 1 . 2]"
1 72 GLY 0.235 0.124 17 0 "[ . 1 . 2]"
1 73 SER 0.408 0.045 17 0 "[ . 1 . 2]"
1 74 VAL 0.876 0.161 18 0 "[ . 1 . 2]"
1 75 ALA 0.090 0.023 17 0 "[ . 1 . 2]"
1 76 PHE 0.550 0.288 9 0 "[ . 1 . 2]"
1 77 ASP 0.296 0.288 9 0 "[ . 1 . 2]"
1 78 TYR 1.149 0.486 19 0 "[ . 1 . 2]"
1 79 ARG 0.017 0.006 13 0 "[ . 1 . 2]"
1 80 LYS 0.254 0.122 9 0 "[ . 1 . 2]"
1 81 ARG 1.230 0.486 19 0 "[ . 1 . 2]"
1 82 LYS 0.113 0.017 17 0 "[ . 1 . 2]"
1 83 HIS 5.133 0.559 14 3 "[ . 1 *+. -2]"
1 84 VAL 2.024 0.239 14 0 "[ . 1 . 2]"
1 85 PHE 5.636 0.162 16 0 "[ . 1 . 2]"
1 86 LYS 0.510 0.045 17 0 "[ . 1 . 2]"
1 87 LEU 3.658 0.184 20 0 "[ . 1 . 2]"
1 88 GLY 1.274 0.139 12 0 "[ . 1 . 2]"
1 89 LEU 5.580 0.184 20 0 "[ . 1 . 2]"
1 90 GLN 1.036 0.225 15 0 "[ . 1 . 2]"
1 91 ASP 1.923 0.336 15 0 "[ . 1 . 2]"
1 92 GLY 1.579 0.217 20 0 "[ . 1 . 2]"
1 93 LYS 3.942 0.336 15 0 "[ . 1 . 2]"
1 94 GLU 1.240 0.139 12 0 "[ . 1 . 2]"
1 95 TYR 3.476 0.983 7 2 "[ - . + 1 . 2]"
1 96 LEU 2.711 0.154 16 0 "[ . 1 . 2]"
1 97 PHE 9.583 0.236 20 0 "[ . 1 . 2]"
1 98 GLN 1.704 0.301 8 0 "[ . 1 . 2]"
1 99 ALA 0.497 0.105 19 0 "[ . 1 . 2]"
1 100 LYS 1.320 0.237 19 0 "[ . 1 . 2]"
1 101 ASP 0.240 0.061 14 0 "[ . 1 . 2]"
1 102 GLU 5.567 0.537 17 2 "[ - . 1 . + 2]"
1 103 ALA 4.816 0.533 3 1 "[ + . 1 . 2]"
1 104 GLU 2.558 0.143 11 0 "[ . 1 . 2]"
1 105 MET 11.074 0.542 11 4 "[ . * 1+ .- * 2]"
1 106 SER 2.345 0.352 8 0 "[ . 1 . 2]"
1 107 SER 2.174 0.203 12 0 "[ . 1 . 2]"
1 108 TRP 7.486 0.217 11 0 "[ . 1 . 2]"
1 109 LEU 5.877 0.193 9 0 "[ . 1 . 2]"
1 110 ARG 2.657 0.175 15 0 "[ . 1 . 2]"
1 111 VAL 13.141 0.281 17 0 "[ . 1 . 2]"
1 112 VAL 10.017 0.132 18 0 "[ . 1 . 2]"
1 113 ASN 1.517 0.089 5 0 "[ . 1 . 2]"
1 114 ALA 5.604 0.281 17 0 "[ . 1 . 2]"
1 115 ALA 2.895 0.464 2 0 "[ . 1 . 2]"
1 116 ILE 4.357 0.108 17 0 "[ . 1 . 2]"
1 117 ALA 0.185 0.060 10 0 "[ . 1 . 2]"
1 118 SER 1.877 0.464 2 0 "[ . 1 . 2]"
1 119 GLY 8.492 0.709 15 2 "[ - . 1 + 2]"
1 120 PRO 8.885 0.709 15 2 "[ - . 1 + 2]"
1 121 SER 0.028 0.018 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY H 1 8 GLU H . . 4.360 4.062 2.795 4.372 0.012 20 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 GLU H . . 3.190 2.270 2.177 2.612 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 GLU QG . . 4.370 4.246 3.841 4.382 0.012 11 0 "[ . 1 . 2]" 1
4 1 8 GLU H 1 8 GLU HB2 . . 3.830 2.320 2.152 2.516 . 0 0 "[ . 1 . 2]" 1
5 1 8 GLU H 1 8 GLU HB3 . . 3.520 3.488 3.323 3.599 0.079 7 0 "[ . 1 . 2]" 1
6 1 8 GLU H 1 8 GLU QG . . 3.650 3.431 2.956 3.670 0.020 11 0 "[ . 1 . 2]" 1
7 1 8 GLU H 1 9 GLN HA . . 5.070 4.876 4.563 5.060 . 0 0 "[ . 1 . 2]" 1
8 1 8 GLU HA 1 8 GLU QG . . 3.410 2.231 2.059 2.619 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLU HA 1 9 GLN H . . 2.890 2.233 2.202 2.334 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLU HA 1 9 GLN HA . . 4.570 4.375 4.352 4.420 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLU HA 1 9 GLN QG . . 4.250 3.990 3.666 4.275 0.025 17 0 "[ . 1 . 2]" 1
12 1 8 GLU HA 1 111 VAL MG1 . . 3.940 3.930 3.749 3.986 0.046 17 0 "[ . 1 . 2]" 1
13 1 8 GLU HA 1 114 ALA MB . . 4.340 4.314 4.146 4.403 0.063 5 0 "[ . 1 . 2]" 1
14 1 8 GLU HB2 1 8 GLU QG . . 2.680 2.384 2.191 2.571 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLU HB2 1 111 VAL HA . . 4.340 3.501 3.108 4.108 . 0 0 "[ . 1 . 2]" 1
16 1 8 GLU HB2 1 111 VAL MG1 . . 3.500 3.380 3.135 3.553 0.053 5 0 "[ . 1 . 2]" 1
17 1 8 GLU HB2 1 114 ALA MB . . 4.210 1.878 1.773 1.961 . 0 0 "[ . 1 . 2]" 1
18 1 8 GLU HB3 1 9 GLN H . . 4.440 3.870 3.383 4.167 . 0 0 "[ . 1 . 2]" 1
19 1 8 GLU HB3 1 111 VAL MG1 . . 4.280 2.401 2.244 2.558 . 0 0 "[ . 1 . 2]" 1
20 1 8 GLU HB3 1 114 ALA MB . . 4.140 2.638 2.387 3.005 . 0 0 "[ . 1 . 2]" 1
21 1 8 GLU QG 1 9 GLN H . . 4.330 4.178 3.914 4.332 0.002 13 0 "[ . 1 . 2]" 1
22 1 8 GLU QG 1 111 VAL HA . . 4.520 3.911 3.605 4.190 . 0 0 "[ . 1 . 2]" 1
23 1 8 GLU QG 1 111 VAL MG1 . . 4.150 4.002 3.820 4.156 0.006 11 0 "[ . 1 . 2]" 1
24 1 8 GLU QG 1 111 VAL MG2 . . 4.280 4.127 3.800 4.275 . 0 0 "[ . 1 . 2]" 1
25 1 8 GLU QG 1 114 ALA MB . . 3.460 2.827 2.443 3.277 . 0 0 "[ . 1 . 2]" 1
26 1 9 GLN H 1 9 GLN QB . . 3.920 2.633 2.463 3.053 . 0 0 "[ . 1 . 2]" 1
27 1 9 GLN H 1 9 GLN QG . . 3.630 2.433 1.947 2.941 . 0 0 "[ . 1 . 2]" 1
28 1 9 GLN H 1 111 VAL MG1 . . 3.950 3.706 3.336 3.948 . 0 0 "[ . 1 . 2]" 1
29 1 9 GLN HA 1 9 GLN QG . . 3.670 2.799 2.386 3.473 . 0 0 "[ . 1 . 2]" 1
30 1 9 GLN HA 1 10 MET H . . 3.080 2.368 2.300 2.480 . 0 0 "[ . 1 . 2]" 1
31 1 9 GLN HA 1 10 MET HA . . 4.660 4.456 4.409 4.532 . 0 0 "[ . 1 . 2]" 1
32 1 9 GLN HA 1 39 LEU H . . 5.430 5.026 4.890 5.298 . 0 0 "[ . 1 . 2]" 1
33 1 9 GLN HA 1 39 LEU MD2 . . 3.890 2.079 1.830 2.286 . 0 0 "[ . 1 . 2]" 1
34 1 9 GLN HA 1 111 VAL MG1 . . 3.970 2.970 2.837 3.233 . 0 0 "[ . 1 . 2]" 1
35 1 9 GLN QB 1 10 MET H . . 3.720 2.745 2.518 2.919 . 0 0 "[ . 1 . 2]" 1
36 1 9 GLN QB 1 40 ARG QD . . 4.420 2.500 2.050 2.908 . 0 0 "[ . 1 . 2]" 1
37 1 9 GLN QB 1 40 ARG QG . . 3.920 3.223 2.134 3.594 . 0 0 "[ . 1 . 2]" 1
38 1 9 GLN QG 1 10 MET H . . 4.100 4.097 3.770 4.264 0.164 8 0 "[ . 1 . 2]" 1
39 1 9 GLN QG 1 40 ARG QD . . 4.860 3.096 2.588 3.566 . 0 0 "[ . 1 . 2]" 1
40 1 9 GLN QG 1 40 ARG QG . . 4.300 2.805 1.962 4.335 0.035 10 0 "[ . 1 . 2]" 1
41 1 10 MET H 1 10 MET HB2 . . 3.700 3.404 3.272 3.535 . 0 0 "[ . 1 . 2]" 1
42 1 10 MET H 1 10 MET HB3 . . 3.770 2.820 2.700 2.980 . 0 0 "[ . 1 . 2]" 1
43 1 10 MET H 1 10 MET HG2 . . 4.590 4.539 4.444 4.609 0.019 19 0 "[ . 1 . 2]" 1
44 1 10 MET H 1 10 MET HG3 . . 4.830 4.507 4.449 4.545 . 0 0 "[ . 1 . 2]" 1
45 1 10 MET H 1 11 GLU H . . 4.710 4.196 4.061 4.295 . 0 0 "[ . 1 . 2]" 1
46 1 10 MET H 1 39 LEU H . . 4.030 3.030 2.906 3.311 . 0 0 "[ . 1 . 2]" 1
47 1 10 MET H 1 39 LEU HB2 . . 4.050 3.754 3.652 3.936 . 0 0 "[ . 1 . 2]" 1
48 1 10 MET H 1 39 LEU HB3 . . 3.640 2.039 1.926 2.254 . 0 0 "[ . 1 . 2]" 1
49 1 10 MET H 1 39 LEU MD2 . . 3.840 2.258 1.927 2.660 . 0 0 "[ . 1 . 2]" 1
50 1 10 MET H 1 111 VAL MG1 . . 4.000 3.007 2.742 3.245 . 0 0 "[ . 1 . 2]" 1
51 1 10 MET HA 1 10 MET HG2 . . 3.840 3.619 3.570 3.713 . 0 0 "[ . 1 . 2]" 1
52 1 10 MET HA 1 10 MET HG3 . . 3.460 2.516 2.466 2.564 . 0 0 "[ . 1 . 2]" 1
53 1 10 MET HA 1 11 GLU H . . 2.860 2.234 2.220 2.264 . 0 0 "[ . 1 . 2]" 1
54 1 10 MET HA 1 11 GLU QG . . 4.240 3.559 3.266 4.264 0.024 15 0 "[ . 1 . 2]" 1
55 1 10 MET HA 1 111 VAL MG1 . . 3.700 3.642 3.499 3.723 0.023 3 0 "[ . 1 . 2]" 1
56 1 10 MET HA 1 111 VAL MG2 . . 4.030 4.099 4.066 4.153 0.123 14 0 "[ . 1 . 2]" 1
57 1 10 MET HB2 1 11 GLU H . . 4.290 4.226 4.155 4.292 0.002 13 0 "[ . 1 . 2]" 1
58 1 10 MET HB2 1 39 LEU HB3 . . 4.120 4.031 3.755 4.163 0.043 18 0 "[ . 1 . 2]" 1
59 1 10 MET HB2 1 111 VAL MG1 . . 3.100 2.046 1.872 2.205 . 0 0 "[ . 1 . 2]" 1
60 1 10 MET HB2 1 111 VAL MG2 . . 3.140 2.123 2.014 2.216 . 0 0 "[ . 1 . 2]" 1
61 1 10 MET HB3 1 11 GLU H . . 4.570 4.286 4.175 4.356 . 0 0 "[ . 1 . 2]" 1
62 1 10 MET HB3 1 39 LEU HB2 . . 4.230 3.619 3.434 3.793 . 0 0 "[ . 1 . 2]" 1
63 1 10 MET HB3 1 39 LEU HB3 . . 3.840 2.603 2.328 2.734 . 0 0 "[ . 1 . 2]" 1
64 1 10 MET HB3 1 108 TRP HZ3 . . 4.390 2.918 2.715 3.070 . 0 0 "[ . 1 . 2]" 1
65 1 10 MET HB3 1 111 VAL MG1 . . 3.710 1.951 1.923 1.968 . 0 0 "[ . 1 . 2]" 1
66 1 10 MET ME 1 10 MET HG2 . . 3.100 2.450 2.393 2.535 . 0 0 "[ . 1 . 2]" 1
67 1 10 MET ME 1 104 GLU HA . . 3.900 2.952 2.392 3.481 . 0 0 "[ . 1 . 2]" 1
68 1 10 MET ME 1 104 GLU QG . . 3.580 2.378 1.867 2.717 . 0 0 "[ . 1 . 2]" 1
69 1 10 MET ME 1 107 SER H . . 4.440 4.262 4.112 4.360 . 0 0 "[ . 1 . 2]" 1
70 1 10 MET ME 1 107 SER HB2 . . 4.020 3.189 3.066 3.373 . 0 0 "[ . 1 . 2]" 1
71 1 10 MET ME 1 107 SER HB3 . . 3.410 2.473 2.351 2.651 . 0 0 "[ . 1 . 2]" 1
72 1 10 MET ME 1 108 TRP H . . 3.660 2.539 2.291 2.690 . 0 0 "[ . 1 . 2]" 1
73 1 10 MET ME 1 108 TRP HA . . 3.180 3.020 2.734 3.194 0.014 16 0 "[ . 1 . 2]" 1
74 1 10 MET ME 1 108 TRP HB2 . . 4.630 3.426 3.215 3.637 . 0 0 "[ . 1 . 2]" 1
75 1 10 MET ME 1 108 TRP HD1 . . 3.710 2.473 2.381 2.608 . 0 0 "[ . 1 . 2]" 1
76 1 10 MET ME 1 108 TRP HE1 . . 3.490 2.568 2.478 2.693 . 0 0 "[ . 1 . 2]" 1
77 1 10 MET ME 1 108 TRP HH2 . . 4.770 4.754 4.672 4.797 0.027 5 0 "[ . 1 . 2]" 1
78 1 10 MET ME 1 108 TRP HZ2 . . 4.270 3.498 3.380 3.589 . 0 0 "[ . 1 . 2]" 1
79 1 10 MET HG2 1 11 GLU H . . 3.720 3.689 3.533 3.743 0.023 4 0 "[ . 1 . 2]" 1
80 1 10 MET HG2 1 11 GLU HA . . 4.170 3.875 3.777 3.970 . 0 0 "[ . 1 . 2]" 1
81 1 10 MET HG2 1 12 GLY H . . 5.020 4.659 4.445 4.917 . 0 0 "[ . 1 . 2]" 1
82 1 10 MET HG2 1 39 LEU HB3 . . 4.350 4.276 4.094 4.386 0.036 11 0 "[ . 1 . 2]" 1
83 1 10 MET HG2 1 108 TRP HA . . 3.920 3.494 3.273 3.618 . 0 0 "[ . 1 . 2]" 1
84 1 10 MET HG2 1 108 TRP HE3 . . 3.720 3.285 3.143 3.434 . 0 0 "[ . 1 . 2]" 1
85 1 10 MET HG2 1 108 TRP HH2 . . 4.230 3.189 3.067 3.311 . 0 0 "[ . 1 . 2]" 1
86 1 10 MET HG2 1 108 TRP HZ2 . . 4.310 3.200 3.060 3.363 . 0 0 "[ . 1 . 2]" 1
87 1 10 MET HG2 1 108 TRP HZ3 . . 4.090 3.192 3.084 3.312 . 0 0 "[ . 1 . 2]" 1
88 1 10 MET HG3 1 11 GLU H . . 3.410 2.463 2.257 2.615 . 0 0 "[ . 1 . 2]" 1
89 1 10 MET HG3 1 108 TRP HA . . 4.560 4.587 4.510 4.627 0.067 15 0 "[ . 1 . 2]" 1
90 1 10 MET HG3 1 108 TRP HH2 . . 4.390 4.186 4.011 4.345 . 0 0 "[ . 1 . 2]" 1
91 1 10 MET HG3 1 108 TRP HZ2 . . 4.070 3.858 3.643 4.021 . 0 0 "[ . 1 . 2]" 1
92 1 11 GLU H 1 11 GLU QG . . 3.520 2.324 2.156 2.636 . 0 0 "[ . 1 . 2]" 1
93 1 11 GLU H 1 12 GLY H . . 4.840 4.191 4.124 4.263 . 0 0 "[ . 1 . 2]" 1
94 1 11 GLU HA 1 12 GLY H . . 3.070 2.222 2.209 2.245 . 0 0 "[ . 1 . 2]" 1
95 1 11 GLU HA 1 37 CYS H . . 4.830 4.894 4.856 4.937 0.107 19 0 "[ . 1 . 2]" 1
96 1 11 GLU HA 1 38 VAL HA . . 3.380 2.515 2.352 2.621 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLU HA 1 38 VAL MG1 . . 4.320 4.321 4.172 4.353 0.033 19 0 "[ . 1 . 2]" 1
98 1 11 GLU HA 1 38 VAL MG2 . . 4.070 3.516 3.291 3.763 . 0 0 "[ . 1 . 2]" 1
99 1 11 GLU HA 1 39 LEU H . . 4.090 3.071 2.912 3.211 . 0 0 "[ . 1 . 2]" 1
100 1 11 GLU HA 1 108 TRP HH2 . . 3.490 2.228 2.037 2.470 . 0 0 "[ . 1 . 2]" 1
101 1 11 GLU HA 1 108 TRP HZ2 . . 3.810 2.868 2.623 3.124 . 0 0 "[ . 1 . 2]" 1
102 1 11 GLU HB2 1 12 GLY H . . 4.240 3.366 3.235 3.460 . 0 0 "[ . 1 . 2]" 1
103 1 11 GLU HB2 1 36 TYR QE . . 3.410 2.462 1.980 3.400 . 0 0 "[ . 1 . 2]" 1
104 1 11 GLU HB2 1 38 VAL HA . . 4.170 2.955 2.779 3.043 . 0 0 "[ . 1 . 2]" 1
105 1 11 GLU HB2 1 38 VAL MG2 . . 3.920 2.337 2.185 2.647 . 0 0 "[ . 1 . 2]" 1
106 1 11 GLU HB3 1 12 GLY H . . 3.730 4.163 4.047 4.243 0.513 8 2 "[ . +-1 . 2]" 1
107 1 11 GLU HB3 1 36 TYR QE . . 4.660 3.879 3.485 4.667 0.007 14 0 "[ . 1 . 2]" 1
108 1 11 GLU HB3 1 38 VAL HA . . 3.990 2.123 1.980 2.258 . 0 0 "[ . 1 . 2]" 1
109 1 11 GLU HB3 1 38 VAL MG1 . . 4.160 2.605 2.435 2.708 . 0 0 "[ . 1 . 2]" 1
110 1 11 GLU HB3 1 38 VAL MG2 . . 3.930 2.724 2.503 2.989 . 0 0 "[ . 1 . 2]" 1
111 1 11 GLU HB3 1 39 LEU H . . 4.450 2.981 2.713 3.115 . 0 0 "[ . 1 . 2]" 1
112 1 11 GLU QG 1 12 GLY H . . 4.570 4.337 4.313 4.376 . 0 0 "[ . 1 . 2]" 1
113 1 11 GLU QG 1 12 GLY HA2 . . 4.280 4.345 4.298 4.410 0.130 6 0 "[ . 1 . 2]" 1
114 1 11 GLU QG 1 36 TYR QE . . 4.720 3.760 3.220 4.258 . 0 0 "[ . 1 . 2]" 1
115 1 11 GLU QG 1 38 VAL HA . . 4.250 4.216 4.129 4.284 0.034 3 0 "[ . 1 . 2]" 1
116 1 11 GLU QG 1 38 VAL MG1 . . 4.200 3.999 3.480 4.228 0.028 17 0 "[ . 1 . 2]" 1
117 1 11 GLU QG 1 38 VAL MG2 . . 4.090 3.984 3.548 4.104 0.014 4 0 "[ . 1 . 2]" 1
118 1 12 GLY H 1 13 MET H . . 4.700 4.336 4.288 4.369 . 0 0 "[ . 1 . 2]" 1
119 1 12 GLY H 1 36 TYR QE . . 4.650 4.014 3.854 4.443 . 0 0 "[ . 1 . 2]" 1
120 1 12 GLY H 1 37 CYS H . . 4.050 3.388 3.265 3.472 . 0 0 "[ . 1 . 2]" 1
121 1 12 GLY H 1 37 CYS HB2 . . 4.610 3.837 3.577 3.988 . 0 0 "[ . 1 . 2]" 1
122 1 12 GLY H 1 37 CYS HB3 . . 3.720 3.788 3.729 3.840 0.120 7 0 "[ . 1 . 2]" 1
123 1 12 GLY H 1 38 VAL HA . . 4.220 4.031 3.860 4.170 . 0 0 "[ . 1 . 2]" 1
124 1 12 GLY H 1 38 VAL MG2 . . 4.390 3.922 3.705 4.142 . 0 0 "[ . 1 . 2]" 1
125 1 12 GLY H 1 108 TRP HH2 . . 4.060 3.216 2.859 3.477 . 0 0 "[ . 1 . 2]" 1
126 1 12 GLY H 1 108 TRP HZ2 . . 3.540 2.025 1.932 2.216 . 0 0 "[ . 1 . 2]" 1
127 1 12 GLY HA2 1 13 MET H . . 3.350 2.412 2.338 2.565 . 0 0 "[ . 1 . 2]" 1
128 1 12 GLY HA2 1 36 TYR QD . . 4.360 3.865 3.637 4.250 . 0 0 "[ . 1 . 2]" 1
129 1 12 GLY HA2 1 36 TYR QE . . 3.480 2.323 1.992 2.906 . 0 0 "[ . 1 . 2]" 1
130 1 12 GLY HA2 1 108 TRP HZ2 . . 4.430 4.223 4.004 4.396 . 0 0 "[ . 1 . 2]" 1
131 1 13 MET H 1 13 MET HB2 . . 3.220 2.130 2.022 2.336 . 0 0 "[ . 1 . 2]" 1
132 1 13 MET H 1 13 MET ME . . 4.570 4.357 4.141 4.590 0.020 12 0 "[ . 1 . 2]" 1
133 1 13 MET H 1 14 LEU H . . 4.860 4.542 4.464 4.580 . 0 0 "[ . 1 . 2]" 1
134 1 13 MET H 1 36 TYR QD . . 4.390 3.232 3.087 3.511 . 0 0 "[ . 1 . 2]" 1
135 1 13 MET H 1 36 TYR QE . . 4.110 2.715 2.406 2.902 . 0 0 "[ . 1 . 2]" 1
136 1 13 MET HA 1 13 MET ME . . 3.740 2.461 2.185 2.748 . 0 0 "[ . 1 . 2]" 1
137 1 13 MET HA 1 13 MET HG2 . . 4.310 2.711 2.255 3.714 . 0 0 "[ . 1 . 2]" 1
138 1 13 MET HA 1 13 MET HG3 . . 4.010 3.229 2.343 3.590 . 0 0 "[ . 1 . 2]" 1
139 1 13 MET HA 1 14 LEU H . . 3.160 2.209 2.202 2.216 . 0 0 "[ . 1 . 2]" 1
140 1 13 MET HA 1 36 TYR H . . 5.270 4.600 4.377 4.780 . 0 0 "[ . 1 . 2]" 1
141 1 13 MET HA 1 36 TYR HA . . 3.450 2.287 2.039 2.401 . 0 0 "[ . 1 . 2]" 1
142 1 13 MET HA 1 36 TYR HB2 . . 4.300 3.840 3.650 4.187 . 0 0 "[ . 1 . 2]" 1
143 1 13 MET HA 1 36 TYR QD . . 4.090 2.163 1.994 2.279 . 0 0 "[ . 1 . 2]" 1
144 1 13 MET HA 1 37 CYS H . . 3.950 3.556 3.330 3.738 . 0 0 "[ . 1 . 2]" 1
145 1 13 MET HB2 1 14 LEU H . . 4.360 4.530 4.486 4.586 0.226 1 0 "[ . 1 . 2]" 1
146 1 13 MET HB2 1 36 TYR QD . . 4.270 3.605 2.469 4.091 . 0 0 "[ . 1 . 2]" 1
147 1 13 MET HB3 1 14 LEU H . . 4.420 3.789 3.525 4.368 . 0 0 "[ . 1 . 2]" 1
148 1 13 MET HB3 1 36 TYR QD . . 4.380 4.286 3.902 4.414 0.034 13 0 "[ . 1 . 2]" 1
149 1 13 MET ME 1 13 MET HG2 . . 2.880 2.351 1.980 3.208 0.328 18 0 "[ . 1 . 2]" 1
150 1 13 MET ME 1 34 ASN HA . . 4.280 4.200 3.902 4.324 0.044 11 0 "[ . 1 . 2]" 1
151 1 13 MET ME 1 34 ASN HB2 . . 3.800 3.698 2.737 4.602 0.802 8 3 "[ - . + * . 2]" 1
152 1 13 MET ME 1 34 ASN HD21 . . 4.480 3.356 2.490 4.294 . 0 0 "[ . 1 . 2]" 1
153 1 13 MET ME 1 35 VAL H . . 4.600 3.836 3.574 4.119 . 0 0 "[ . 1 . 2]" 1
154 1 13 MET ME 1 35 VAL HA . . 3.880 3.227 3.071 3.388 . 0 0 "[ . 1 . 2]" 1
155 1 13 MET ME 1 35 VAL MG1 . . 4.300 4.350 4.249 4.451 0.151 17 0 "[ . 1 . 2]" 1
156 1 13 MET ME 1 36 TYR H . . 3.440 2.690 2.537 2.817 . 0 0 "[ . 1 . 2]" 1
157 1 13 MET ME 1 36 TYR HA . . 4.020 2.594 2.292 2.856 . 0 0 "[ . 1 . 2]" 1
158 1 13 MET ME 1 36 TYR HB2 . . 3.530 2.046 1.918 2.269 . 0 0 "[ . 1 . 2]" 1
159 1 13 MET ME 1 36 TYR HB3 . . 4.320 3.495 3.352 3.660 . 0 0 "[ . 1 . 2]" 1
160 1 13 MET ME 1 36 TYR QD . . 3.200 2.058 1.958 2.208 . 0 0 "[ . 1 . 2]" 1
161 1 13 MET ME 1 36 TYR QE . . 4.180 4.179 4.020 4.238 0.058 11 0 "[ . 1 . 2]" 1
162 1 13 MET ME 1 49 ASP HA . . 3.280 1.862 1.766 1.997 . 0 0 "[ . 1 . 2]" 1
163 1 13 MET ME 1 49 ASP HB2 . . 3.620 3.701 3.638 3.743 0.123 14 0 "[ . 1 . 2]" 1
164 1 13 MET ME 1 49 ASP HB3 . . 3.690 2.711 2.451 3.234 . 0 0 "[ . 1 . 2]" 1
165 1 13 MET ME 1 50 ALA H . . 4.170 3.441 3.040 3.685 . 0 0 "[ . 1 . 2]" 1
166 1 13 MET ME 1 50 ALA MB . . 4.520 4.316 3.918 4.527 0.007 9 0 "[ . 1 . 2]" 1
167 1 13 MET HG2 1 14 LEU H . . 4.270 4.347 4.206 4.557 0.287 18 0 "[ . 1 . 2]" 1
168 1 13 MET HG2 1 36 TYR QD . . 3.730 2.724 1.957 4.501 0.771 3 6 "[ + - *1 . ***2]" 1
169 1 13 MET HG3 1 36 TYR QD . . 4.390 3.649 3.388 3.761 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU H 1 14 LEU HB2 . . 4.020 2.685 2.526 2.771 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU H 1 14 LEU MD1 . . 4.510 3.545 3.373 3.650 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU H 1 14 LEU MD2 . . 4.750 4.608 4.452 4.712 . 0 0 "[ . 1 . 2]" 1
173 1 14 LEU H 1 15 CYS H . . 5.020 4.401 4.359 4.457 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU H 1 36 TYR QD . . 4.130 4.087 3.869 4.194 0.064 16 0 "[ . 1 . 2]" 1
175 1 14 LEU H 1 37 CYS H . . 4.360 3.077 2.712 3.242 . 0 0 "[ . 1 . 2]" 1
176 1 14 LEU HA 1 14 LEU MD1 . . 2.970 2.108 2.021 2.184 . 0 0 "[ . 1 . 2]" 1
177 1 14 LEU HA 1 14 LEU MD2 . . 4.220 3.768 3.762 3.775 . 0 0 "[ . 1 . 2]" 1
178 1 14 LEU HA 1 14 LEU HG . . 3.910 2.548 2.494 2.597 . 0 0 "[ . 1 . 2]" 1
179 1 14 LEU HA 1 15 CYS H . . 3.310 2.371 2.332 2.401 . 0 0 "[ . 1 . 2]" 1
180 1 14 LEU HB2 1 14 LEU MD2 . . 3.230 2.409 2.372 2.461 . 0 0 "[ . 1 . 2]" 1
181 1 14 LEU HB2 1 15 CYS H . . 4.140 4.210 4.167 4.272 0.132 16 0 "[ . 1 . 2]" 1
182 1 14 LEU HB2 1 37 CYS HG . . 4.350 4.025 3.623 4.293 . 0 0 "[ . 1 . 2]" 1
183 1 14 LEU HB2 1 97 PHE QD . . 3.440 3.545 3.478 3.629 0.189 16 0 "[ . 1 . 2]" 1
184 1 14 LEU HB3 1 14 LEU MD2 . . 3.590 2.288 2.227 2.347 . 0 0 "[ . 1 . 2]" 1
185 1 14 LEU HB3 1 15 CYS H . . 3.680 3.013 2.939 3.141 . 0 0 "[ . 1 . 2]" 1
186 1 14 LEU HB3 1 97 PHE HB3 . . 4.140 2.774 2.644 2.968 . 0 0 "[ . 1 . 2]" 1
187 1 14 LEU HB3 1 97 PHE QD . . 3.390 2.192 2.151 2.242 . 0 0 "[ . 1 . 2]" 1
188 1 14 LEU HB3 1 98 GLN H . . 4.950 3.635 3.065 4.058 . 0 0 "[ . 1 . 2]" 1
189 1 14 LEU MD1 1 15 CYS H . . 3.780 3.770 3.689 3.813 0.033 18 0 "[ . 1 . 2]" 1
190 1 14 LEU MD1 1 85 PHE QE . . 3.620 3.669 3.551 3.715 0.095 19 0 "[ . 1 . 2]" 1
191 1 14 LEU MD1 1 85 PHE HZ . . 4.610 4.207 4.159 4.248 . 0 0 "[ . 1 . 2]" 1
192 1 14 LEU MD1 1 97 PHE HB3 . . 4.150 4.079 3.952 4.182 0.032 20 0 "[ . 1 . 2]" 1
193 1 14 LEU MD1 1 99 ALA HA . . 3.040 1.907 1.769 2.456 . 0 0 "[ . 1 . 2]" 1
194 1 14 LEU MD1 1 99 ALA MB . . 3.150 2.805 2.592 3.098 . 0 0 "[ . 1 . 2]" 1
195 1 14 LEU MD1 1 100 LYS H . . 4.190 3.420 2.905 4.240 0.050 14 0 "[ . 1 . 2]" 1
196 1 14 LEU MD1 1 108 TRP HD1 . . 3.590 3.017 2.732 3.266 . 0 0 "[ . 1 . 2]" 1
197 1 14 LEU MD1 1 108 TRP HE1 . . 3.420 2.114 1.990 2.211 . 0 0 "[ . 1 . 2]" 1
198 1 14 LEU MD1 1 108 TRP HZ2 . . 4.510 3.556 3.415 3.802 . 0 0 "[ . 1 . 2]" 1
199 1 14 LEU MD2 1 15 CYS H . . 4.820 4.277 4.164 4.476 . 0 0 "[ . 1 . 2]" 1
200 1 14 LEU MD2 1 37 CYS HB2 . . 3.920 2.838 2.726 2.971 . 0 0 "[ . 1 . 2]" 1
201 1 14 LEU MD2 1 37 CYS HB3 . . 4.590 3.491 3.379 3.627 . 0 0 "[ . 1 . 2]" 1
202 1 14 LEU MD2 1 37 CYS HG . . 4.070 4.070 4.025 4.109 0.039 17 0 "[ . 1 . 2]" 1
203 1 14 LEU MD2 1 85 PHE QE . . 3.640 1.994 1.947 2.323 . 0 0 "[ . 1 . 2]" 1
204 1 14 LEU MD2 1 85 PHE HZ . . 3.560 1.845 1.773 1.913 . 0 0 "[ . 1 . 2]" 1
205 1 14 LEU MD2 1 97 PHE HB2 . . 3.850 2.927 2.695 3.157 . 0 0 "[ . 1 . 2]" 1
206 1 14 LEU MD2 1 97 PHE HB3 . . 3.450 1.894 1.821 2.034 . 0 0 "[ . 1 . 2]" 1
207 1 14 LEU MD2 1 97 PHE QD . . 3.270 2.767 2.586 3.029 . 0 0 "[ . 1 . 2]" 1
208 1 14 LEU MD2 1 97 PHE QE . . 4.240 4.317 4.266 4.382 0.142 5 0 "[ . 1 . 2]" 1
209 1 14 LEU MD2 1 99 ALA MB . . 4.490 3.212 2.991 3.379 . 0 0 "[ . 1 . 2]" 1
210 1 14 LEU MD2 1 108 TRP HE1 . . 4.170 2.491 2.408 2.612 . 0 0 "[ . 1 . 2]" 1
211 1 14 LEU MD2 1 108 TRP HE3 . . 4.400 4.397 4.274 4.455 0.055 12 0 "[ . 1 . 2]" 1
212 1 14 LEU MD2 1 108 TRP HH2 . . 4.630 4.516 4.316 4.667 0.037 18 0 "[ . 1 . 2]" 1
213 1 14 LEU MD2 1 108 TRP HZ2 . . 3.960 3.275 3.057 3.507 . 0 0 "[ . 1 . 2]" 1
214 1 14 LEU HG 1 15 CYS H . . 4.660 3.009 2.889 3.228 . 0 0 "[ . 1 . 2]" 1
215 1 14 LEU HG 1 108 TRP HE1 . . 4.470 4.496 4.364 4.535 0.065 11 0 "[ . 1 . 2]" 1
216 1 15 CYS H 1 15 CYS HB2 . . 3.430 2.313 2.195 2.400 . 0 0 "[ . 1 . 2]" 1
217 1 15 CYS H 1 15 CYS HB3 . . 3.650 3.055 2.935 3.361 . 0 0 "[ . 1 . 2]" 1
218 1 15 CYS H 1 97 PHE HA . . 4.850 3.475 3.342 3.589 . 0 0 "[ . 1 . 2]" 1
219 1 15 CYS H 1 98 GLN H . . 4.080 2.015 1.873 2.257 . 0 0 "[ . 1 . 2]" 1
220 1 15 CYS H 1 99 ALA HA . . 5.010 4.947 4.762 5.045 0.035 20 0 "[ . 1 . 2]" 1
221 1 15 CYS HA 1 16 ARG H . . 3.190 2.280 2.274 2.283 . 0 0 "[ . 1 . 2]" 1
222 1 15 CYS HA 1 32 TRP HE3 . . 4.680 3.994 3.883 4.068 . 0 0 "[ . 1 . 2]" 1
223 1 15 CYS HA 1 33 GLN H . . 4.820 4.158 3.932 4.300 . 0 0 "[ . 1 . 2]" 1
224 1 15 CYS HA 1 34 ASN H . . 4.930 4.592 4.305 4.772 . 0 0 "[ . 1 . 2]" 1
225 1 15 CYS HA 1 34 ASN HA . . 3.210 2.323 1.996 2.555 . 0 0 "[ . 1 . 2]" 1
226 1 15 CYS HA 1 35 VAL H . . 3.880 2.612 2.536 2.676 . 0 0 "[ . 1 . 2]" 1
227 1 15 CYS HA 1 35 VAL MG2 . . 4.420 4.190 3.922 4.427 0.007 18 0 "[ . 1 . 2]" 1
228 1 15 CYS HB2 1 16 ARG H . . 4.710 4.729 4.716 4.738 0.028 5 0 "[ . 1 . 2]" 1
229 1 15 CYS HB2 1 32 TRP HE3 . . 3.870 3.680 3.500 3.831 . 0 0 "[ . 1 . 2]" 1
230 1 15 CYS HB2 1 32 TRP HZ3 . . 4.600 3.648 3.223 3.860 . 0 0 "[ . 1 . 2]" 1
231 1 15 CYS HB2 1 34 ASN HA . . 4.320 4.311 4.124 4.468 0.148 2 0 "[ . 1 . 2]" 1
232 1 15 CYS HB2 1 98 GLN H . . 4.180 3.240 2.768 3.486 . 0 0 "[ . 1 . 2]" 1
233 1 15 CYS HB2 1 98 GLN HB2 . . 3.910 3.609 2.839 3.925 0.015 12 0 "[ . 1 . 2]" 1
234 1 15 CYS HB2 1 98 GLN HB3 . . 3.380 2.357 1.993 2.763 . 0 0 "[ . 1 . 2]" 1
235 1 15 CYS HB3 1 16 ARG H . . 4.710 4.254 4.101 4.321 . 0 0 "[ . 1 . 2]" 1
236 1 15 CYS HB3 1 32 TRP HE3 . . 3.990 2.142 1.983 2.382 . 0 0 "[ . 1 . 2]" 1
237 1 15 CYS HB3 1 32 TRP HZ3 . . 4.410 2.133 1.987 2.233 . 0 0 "[ . 1 . 2]" 1
238 1 15 CYS HB3 1 98 GLN H . . 4.310 3.223 2.751 3.643 . 0 0 "[ . 1 . 2]" 1
239 1 15 CYS HB3 1 98 GLN HB2 . . 3.850 3.433 2.912 3.923 0.073 2 0 "[ . 1 . 2]" 1
240 1 15 CYS HB3 1 98 GLN HB3 . . 3.320 2.990 2.639 3.398 0.078 2 0 "[ . 1 . 2]" 1
241 1 16 ARG H 1 16 ARG HB2 . . 3.680 2.700 2.635 2.758 . 0 0 "[ . 1 . 2]" 1
242 1 16 ARG H 1 16 ARG HB3 . . 3.890 2.424 2.379 2.481 . 0 0 "[ . 1 . 2]" 1
243 1 16 ARG H 1 16 ARG HG2 . . 5.070 4.345 4.322 4.370 . 0 0 "[ . 1 . 2]" 1
244 1 16 ARG H 1 32 TRP HE3 . . 4.690 4.733 4.687 4.771 0.081 1 0 "[ . 1 . 2]" 1
245 1 16 ARG H 1 33 GLN H . . 3.940 3.980 3.830 4.044 0.104 9 0 "[ . 1 . 2]" 1
246 1 16 ARG H 1 34 ASN HA . . 4.180 3.679 3.349 3.908 . 0 0 "[ . 1 . 2]" 1
247 1 16 ARG H 1 35 VAL H . . 4.780 2.435 2.204 2.604 . 0 0 "[ . 1 . 2]" 1
248 1 16 ARG H 1 35 VAL MG2 . . 4.310 3.114 2.818 3.320 . 0 0 "[ . 1 . 2]" 1
249 1 16 ARG HA 1 16 ARG HG2 . . 4.220 2.646 2.605 2.698 . 0 0 "[ . 1 . 2]" 1
250 1 16 ARG HA 1 16 ARG HG3 . . 4.070 3.030 2.965 3.097 . 0 0 "[ . 1 . 2]" 1
251 1 16 ARG HA 1 17 LYS H . . 3.300 2.229 2.226 2.235 . 0 0 "[ . 1 . 2]" 1
252 1 16 ARG HA 1 32 TRP HZ3 . . 4.400 4.241 4.185 4.303 . 0 0 "[ . 1 . 2]" 1
253 1 16 ARG HA 1 97 PHE HA . . 3.590 2.848 2.748 2.931 . 0 0 "[ . 1 . 2]" 1
254 1 16 ARG HA 1 97 PHE QD . . 4.060 3.037 2.855 3.131 . 0 0 "[ . 1 . 2]" 1
255 1 16 ARG HB2 1 16 ARG HD2 . . 4.070 3.903 3.849 3.932 . 0 0 "[ . 1 . 2]" 1
256 1 16 ARG HB2 1 17 LYS H . . 5.260 4.388 4.326 4.480 . 0 0 "[ . 1 . 2]" 1
257 1 16 ARG HB2 1 35 VAL MG1 . . 3.790 3.549 3.387 3.722 . 0 0 "[ . 1 . 2]" 1
258 1 16 ARG HB2 1 46 PHE QD . . 4.120 3.681 3.597 3.810 . 0 0 "[ . 1 . 2]" 1
259 1 16 ARG HB2 1 97 PHE QD . . 4.220 2.755 2.701 2.839 . 0 0 "[ . 1 . 2]" 1
260 1 16 ARG HB2 1 97 PHE QE . . 3.600 1.971 1.934 2.000 . 0 0 "[ . 1 . 2]" 1
261 1 16 ARG HB2 1 97 PHE HZ . . 4.430 4.007 3.862 4.181 . 0 0 "[ . 1 . 2]" 1
262 1 16 ARG HB3 1 16 ARG HD2 . . 4.220 3.568 3.541 3.585 . 0 0 "[ . 1 . 2]" 1
263 1 16 ARG HB3 1 16 ARG HD3 . . 4.110 2.391 2.289 2.465 . 0 0 "[ . 1 . 2]" 1
264 1 16 ARG HB3 1 17 LYS H . . 4.840 4.356 4.302 4.457 . 0 0 "[ . 1 . 2]" 1
265 1 16 ARG HB3 1 35 VAL HB . . 4.460 2.088 1.999 2.192 . 0 0 "[ . 1 . 2]" 1
266 1 16 ARG HB3 1 35 VAL MG1 . . 4.430 3.187 2.946 3.279 . 0 0 "[ . 1 . 2]" 1
267 1 16 ARG HB3 1 35 VAL MG2 . . 3.770 2.456 2.188 2.616 . 0 0 "[ . 1 . 2]" 1
268 1 16 ARG HB3 1 46 PHE QD . . 4.320 4.140 4.015 4.291 . 0 0 "[ . 1 . 2]" 1
269 1 16 ARG HB3 1 97 PHE QD . . 4.210 4.376 4.336 4.446 0.236 20 0 "[ . 1 . 2]" 1
270 1 16 ARG HB3 1 97 PHE QE . . 3.860 3.521 3.500 3.542 . 0 0 "[ . 1 . 2]" 1
271 1 16 ARG HD2 1 35 VAL MG1 . . 4.310 4.314 4.094 4.352 0.042 11 0 "[ . 1 . 2]" 1
272 1 16 ARG HD2 1 46 PHE QD . . 4.050 3.942 3.803 4.054 0.004 7 0 "[ . 1 . 2]" 1
273 1 16 ARG HD2 1 46 PHE QE . . 4.600 3.195 2.999 3.355 . 0 0 "[ . 1 . 2]" 1
274 1 16 ARG HD2 1 46 PHE HZ . . 3.790 3.281 3.039 3.411 . 0 0 "[ . 1 . 2]" 1
275 1 16 ARG HD2 1 95 TYR QD . . 3.380 2.819 2.366 3.103 . 0 0 "[ . 1 . 2]" 1
276 1 16 ARG HD2 1 95 TYR QE . . 3.240 2.714 2.331 3.183 . 0 0 "[ . 1 . 2]" 1
277 1 16 ARG HD2 1 97 PHE QE . . 3.970 3.968 3.869 4.001 0.031 12 0 "[ . 1 . 2]" 1
278 1 16 ARG HD2 1 97 PHE HZ . . 4.310 3.813 3.671 3.947 . 0 0 "[ . 1 . 2]" 1
279 1 16 ARG HD3 1 35 VAL MG1 . . 3.850 2.842 2.529 2.921 . 0 0 "[ . 1 . 2]" 1
280 1 16 ARG HD3 1 35 VAL MG2 . . 3.250 3.311 3.272 3.358 0.108 17 0 "[ . 1 . 2]" 1
281 1 16 ARG HD3 1 46 PHE QD . . 3.970 2.969 2.833 3.137 . 0 0 "[ . 1 . 2]" 1
282 1 16 ARG HD3 1 46 PHE QE . . 4.490 3.142 2.987 3.307 . 0 0 "[ . 1 . 2]" 1
283 1 16 ARG HD3 1 46 PHE HZ . . 4.070 4.112 4.078 4.141 0.071 17 0 "[ . 1 . 2]" 1
284 1 16 ARG HD3 1 97 PHE QE . . 4.050 3.483 3.411 3.619 . 0 0 "[ . 1 . 2]" 1
285 1 16 ARG HD3 1 97 PHE HZ . . 4.250 4.290 4.241 4.333 0.083 19 0 "[ . 1 . 2]" 1
286 1 16 ARG HG2 1 17 LYS H . . 3.920 2.740 2.606 3.018 . 0 0 "[ . 1 . 2]" 1
287 1 16 ARG HG2 1 17 LYS HA . . 4.770 3.810 3.703 3.912 . 0 0 "[ . 1 . 2]" 1
288 1 16 ARG HG2 1 18 GLN H . . 5.200 3.663 3.443 3.975 . 0 0 "[ . 1 . 2]" 1
289 1 16 ARG HG2 1 95 TYR QD . . 3.420 2.389 2.166 2.638 . 0 0 "[ . 1 . 2]" 1
290 1 16 ARG HG2 1 95 TYR QE . . 4.280 4.087 3.748 4.374 0.094 20 0 "[ . 1 . 2]" 1
291 1 16 ARG HG3 1 46 PHE QD . . 4.010 4.091 4.048 4.132 0.122 19 0 "[ . 1 . 2]" 1
292 1 16 ARG HG3 1 46 PHE QE . . 4.250 2.685 2.552 2.780 . 0 0 "[ . 1 . 2]" 1
293 1 16 ARG HG3 1 97 PHE QD . . 4.010 3.776 3.670 3.844 . 0 0 "[ . 1 . 2]" 1
294 1 16 ARG HG3 1 97 PHE QE . . 3.710 2.187 2.052 2.287 . 0 0 "[ . 1 . 2]" 1
295 1 16 ARG HG3 1 97 PHE HZ . . 4.160 2.451 2.278 2.648 . 0 0 "[ . 1 . 2]" 1
296 1 17 LYS H 1 17 LYS HB2 . . 4.120 3.113 2.974 3.200 . 0 0 "[ . 1 . 2]" 1
297 1 17 LYS H 1 17 LYS HB3 . . 3.890 2.640 2.592 2.671 . 0 0 "[ . 1 . 2]" 1
298 1 17 LYS H 1 17 LYS HG3 . . 5.450 4.868 4.805 4.920 . 0 0 "[ . 1 . 2]" 1
299 1 17 LYS H 1 18 GLN H . . 5.210 3.997 3.894 4.117 . 0 0 "[ . 1 . 2]" 1
300 1 17 LYS H 1 32 TRP HZ3 . . 4.660 4.119 3.710 4.304 . 0 0 "[ . 1 . 2]" 1
301 1 17 LYS H 1 96 LEU HB2 . . 4.290 3.170 3.010 3.366 . 0 0 "[ . 1 . 2]" 1
302 1 17 LYS H 1 96 LEU QD . . 5.130 4.544 4.421 4.680 . 0 0 "[ . 1 . 2]" 1
303 1 17 LYS H 1 97 PHE HA . . 4.700 4.042 3.843 4.155 . 0 0 "[ . 1 . 2]" 1
304 1 17 LYS H 1 97 PHE QD . . 5.160 4.805 4.738 4.855 . 0 0 "[ . 1 . 2]" 1
305 1 17 LYS HA 1 17 LYS HG2 . . 3.710 2.583 2.462 2.663 . 0 0 "[ . 1 . 2]" 1
306 1 17 LYS HA 1 17 LYS HG3 . . 3.930 2.973 2.790 3.174 . 0 0 "[ . 1 . 2]" 1
307 1 17 LYS HA 1 18 GLN H . . 3.200 2.220 2.186 2.248 . 0 0 "[ . 1 . 2]" 1
308 1 17 LYS HA 1 18 GLN HB3 . . 4.730 4.580 4.428 5.000 0.270 16 0 "[ . 1 . 2]" 1
309 1 17 LYS HA 1 32 TRP HA . . 4.130 3.285 3.076 3.462 . 0 0 "[ . 1 . 2]" 1
310 1 17 LYS HA 1 33 GLN H . . 3.900 3.740 3.494 3.912 0.012 12 0 "[ . 1 . 2]" 1
311 1 17 LYS HB2 1 17 LYS HD2 . . 3.820 3.199 2.888 3.652 . 0 0 "[ . 1 . 2]" 1
312 1 17 LYS HB2 1 17 LYS HD3 . . 4.040 3.316 2.831 3.604 . 0 0 "[ . 1 . 2]" 1
313 1 17 LYS HB2 1 18 GLN H . . 4.920 4.541 4.436 4.601 . 0 0 "[ . 1 . 2]" 1
314 1 17 LYS HB2 1 32 TRP HA . . 4.560 2.228 1.995 2.446 . 0 0 "[ . 1 . 2]" 1
315 1 17 LYS HB2 1 32 TRP HE3 . . 4.620 2.869 2.649 3.101 . 0 0 "[ . 1 . 2]" 1
316 1 17 LYS HB2 1 96 LEU HB2 . . 4.240 3.985 3.932 4.090 . 0 0 "[ . 1 . 2]" 1
317 1 17 LYS HB2 1 96 LEU HB3 . . 4.910 4.754 4.434 4.937 0.027 15 0 "[ . 1 . 2]" 1
318 1 17 LYS HB2 1 96 LEU QD . . 4.810 4.611 4.495 4.719 . 0 0 "[ . 1 . 2]" 1
319 1 17 LYS HB3 1 17 LYS HD2 . . 3.860 2.872 2.519 3.443 . 0 0 "[ . 1 . 2]" 1
320 1 17 LYS HB3 1 17 LYS HD3 . . 3.760 2.208 2.012 2.452 . 0 0 "[ . 1 . 2]" 1
321 1 17 LYS HB3 1 17 LYS HE2 . . 4.690 4.066 3.126 4.483 . 0 0 "[ . 1 . 2]" 1
322 1 17 LYS HB3 1 17 LYS HE3 . . 4.710 4.345 3.617 4.579 . 0 0 "[ . 1 . 2]" 1
323 1 17 LYS HB3 1 18 GLN H . . 5.310 4.547 4.488 4.581 . 0 0 "[ . 1 . 2]" 1
324 1 17 LYS HB3 1 32 TRP HA . . 4.120 3.924 3.669 4.124 0.004 9 0 "[ . 1 . 2]" 1
325 1 17 LYS HB3 1 96 LEU H . . 4.720 3.571 3.272 3.802 . 0 0 "[ . 1 . 2]" 1
326 1 17 LYS HB3 1 96 LEU HB2 . . 3.870 2.327 2.275 2.384 . 0 0 "[ . 1 . 2]" 1
327 1 17 LYS HB3 1 96 LEU HB3 . . 4.140 3.413 3.165 3.667 . 0 0 "[ . 1 . 2]" 1
328 1 17 LYS HB3 1 96 LEU QD . . 4.050 3.304 3.125 3.449 . 0 0 "[ . 1 . 2]" 1
329 1 17 LYS HB3 1 96 LEU HG . . 4.560 4.608 4.481 4.647 0.087 7 0 "[ . 1 . 2]" 1
330 1 17 LYS HD2 1 19 GLU QG . . 4.730 4.212 3.655 4.561 . 0 0 "[ . 1 . 2]" 1
331 1 17 LYS HD2 1 32 TRP HD1 . . 4.560 3.340 2.863 3.914 . 0 0 "[ . 1 . 2]" 1
332 1 17 LYS HD2 1 32 TRP HE1 . . 4.210 2.545 2.376 2.699 . 0 0 "[ . 1 . 2]" 1
333 1 17 LYS HD2 1 32 TRP HZ2 . . 4.080 3.510 2.921 4.093 0.013 12 0 "[ . 1 . 2]" 1
334 1 17 LYS HD3 1 19 GLU QG . . 4.670 2.878 2.130 3.930 . 0 0 "[ . 1 . 2]" 1
335 1 17 LYS HD3 1 32 TRP HE1 . . 4.740 3.749 2.885 4.334 . 0 0 "[ . 1 . 2]" 1
336 1 17 LYS HD3 1 32 TRP HZ2 . . 4.170 3.660 2.800 4.200 0.030 11 0 "[ . 1 . 2]" 1
337 1 17 LYS HD3 1 96 LEU QD . . 3.380 2.544 2.222 2.907 . 0 0 "[ . 1 . 2]" 1
338 1 17 LYS HE2 1 17 LYS HG2 . . 3.840 2.791 2.295 3.261 . 0 0 "[ . 1 . 2]" 1
339 1 17 LYS HE2 1 17 LYS HG3 . . 3.760 3.558 2.513 4.040 0.280 7 0 "[ . 1 . 2]" 1
340 1 17 LYS HE2 1 19 GLU QG . . 3.960 2.620 1.958 4.782 0.822 16 1 "[ . 1 .+ 2]" 1
341 1 17 LYS HE2 1 96 LEU QD . . 4.480 3.770 2.562 4.634 0.154 16 0 "[ . 1 . 2]" 1
342 1 17 LYS HE3 1 17 LYS HG2 . . 3.510 2.548 2.014 3.756 0.246 16 0 "[ . 1 . 2]" 1
343 1 17 LYS HE3 1 17 LYS HG3 . . 4.000 2.774 2.319 3.718 . 0 0 "[ . 1 . 2]" 1
344 1 17 LYS HE3 1 32 TRP HE1 . . 5.120 4.478 3.545 5.164 0.044 7 0 "[ . 1 . 2]" 1
345 1 17 LYS HG2 1 18 GLN H . . 4.460 3.321 3.051 3.534 . 0 0 "[ . 1 . 2]" 1
346 1 17 LYS HG2 1 19 GLU QG . . 4.820 3.523 3.185 4.194 . 0 0 "[ . 1 . 2]" 1
347 1 17 LYS HG3 1 18 GLN H . . 4.480 4.487 4.268 4.542 0.062 18 0 "[ . 1 . 2]" 1
348 1 17 LYS HG3 1 19 GLU QG . . 5.500 4.817 4.481 5.320 . 0 0 "[ . 1 . 2]" 1
349 1 18 GLN H 1 18 GLN HB2 . . 3.850 2.502 2.111 2.643 . 0 0 "[ . 1 . 2]" 1
350 1 18 GLN H 1 18 GLN HB3 . . 3.850 2.462 2.316 2.923 . 0 0 "[ . 1 . 2]" 1
351 1 18 GLN H 1 18 GLN HG3 . . 4.400 4.363 4.288 4.431 0.031 4 0 "[ . 1 . 2]" 1
352 1 18 GLN H 1 19 GLU H . . 5.310 4.489 4.432 4.664 . 0 0 "[ . 1 . 2]" 1
353 1 18 GLN H 1 27 ALA MB . . 5.210 4.774 4.221 5.111 . 0 0 "[ . 1 . 2]" 1
354 1 18 GLN H 1 95 TYR QD . . 4.990 3.739 3.342 3.962 . 0 0 "[ . 1 . 2]" 1
355 1 18 GLN HA 1 18 GLN HG2 . . 3.750 3.433 2.090 3.841 0.091 7 0 "[ . 1 . 2]" 1
356 1 18 GLN HA 1 18 GLN HG3 . . 3.740 2.564 2.292 3.390 . 0 0 "[ . 1 . 2]" 1
357 1 18 GLN HA 1 19 GLU H . . 3.160 2.222 2.203 2.344 . 0 0 "[ . 1 . 2]" 1
358 1 18 GLN HA 1 20 MET H . . 4.270 4.130 3.906 4.294 0.024 2 0 "[ . 1 . 2]" 1
359 1 18 GLN HA 1 95 TYR HA . . 3.450 2.729 2.317 3.023 . 0 0 "[ . 1 . 2]" 1
360 1 18 GLN HA 1 95 TYR QD . . 3.340 2.541 2.346 2.679 . 0 0 "[ . 1 . 2]" 1
361 1 18 GLN HA 1 95 TYR QE . . 4.020 3.456 3.181 3.816 . 0 0 "[ . 1 . 2]" 1
362 1 18 GLN HA 1 96 LEU H . . 4.280 3.930 3.580 4.215 . 0 0 "[ . 1 . 2]" 1
363 1 18 GLN HB2 1 19 GLU H . . 4.630 4.389 4.009 4.533 . 0 0 "[ . 1 . 2]" 1
364 1 18 GLN HB2 1 95 TYR QD . . 3.500 3.200 2.429 3.523 0.023 16 0 "[ . 1 . 2]" 1
365 1 18 GLN HB2 1 95 TYR QE . . 3.270 2.364 1.994 2.782 . 0 0 "[ . 1 . 2]" 1
366 1 18 GLN HB3 1 27 ALA MB . . 3.350 2.994 2.283 3.368 0.018 7 0 "[ . 1 . 2]" 1
367 1 18 GLN QE 1 20 MET H . . 5.240 4.339 3.504 5.030 . 0 0 "[ . 1 . 2]" 1
368 1 18 GLN QE 1 21 GLU HA . . 3.230 2.076 1.885 2.276 . 0 0 "[ . 1 . 2]" 1
369 1 18 GLN QE 1 21 GLU HB2 . . 4.710 2.608 2.130 2.976 . 0 0 "[ . 1 . 2]" 1
370 1 18 GLN QE 1 21 GLU HB3 . . 4.990 3.951 3.247 4.316 . 0 0 "[ . 1 . 2]" 1
371 1 18 GLN QE 1 21 GLU HG3 . . 4.740 3.345 2.839 3.939 . 0 0 "[ . 1 . 2]" 1
372 1 18 GLN QE 1 27 ALA MB . . 3.860 2.983 2.191 3.406 . 0 0 "[ . 1 . 2]" 1
373 1 18 GLN QE 1 93 LYS HA . . 4.580 4.070 3.047 4.367 . 0 0 "[ . 1 . 2]" 1
374 1 18 GLN QE 1 93 LYS HD2 . . 4.360 4.026 3.724 4.216 . 0 0 "[ . 1 . 2]" 1
375 1 18 GLN QE 1 93 LYS HD3 . . 4.230 2.582 2.372 2.904 . 0 0 "[ . 1 . 2]" 1
376 1 18 GLN QE 1 93 LYS QE . . 4.450 3.659 3.170 4.030 . 0 0 "[ . 1 . 2]" 1
377 1 18 GLN QE 1 93 LYS HG2 . . 4.200 2.505 1.864 2.764 . 0 0 "[ . 1 . 2]" 1
378 1 18 GLN QE 1 93 LYS HG3 . . 4.410 3.324 2.908 3.722 . 0 0 "[ . 1 . 2]" 1
379 1 18 GLN QE 1 95 TYR QE . . 4.340 3.543 3.178 3.954 . 0 0 "[ . 1 . 2]" 1
380 1 18 GLN HG2 1 19 GLU H . . 4.160 3.933 2.754 4.219 0.059 15 0 "[ . 1 . 2]" 1
381 1 18 GLN HG2 1 27 ALA MB . . 3.810 1.956 1.743 3.800 . 0 0 "[ . 1 . 2]" 1
382 1 18 GLN HG3 1 19 GLU H . . 4.030 3.094 2.612 4.154 0.124 16 0 "[ . 1 . 2]" 1
383 1 18 GLN HG3 1 27 ALA MB . . 2.990 2.793 1.804 3.165 0.175 11 0 "[ . 1 . 2]" 1
384 1 18 GLN HG3 1 95 TYR QE . . 3.800 3.517 2.394 4.783 0.983 7 2 "[ - . + 1 . 2]" 1
385 1 19 GLU H 1 19 GLU HB2 . . 3.620 2.451 2.239 2.877 . 0 0 "[ . 1 . 2]" 1
386 1 19 GLU H 1 19 GLU HB3 . . 3.830 3.601 3.508 3.719 . 0 0 "[ . 1 . 2]" 1
387 1 19 GLU H 1 19 GLU QG . . 4.370 2.795 2.380 3.468 . 0 0 "[ . 1 . 2]" 1
388 1 19 GLU H 1 20 MET H . . 3.410 2.339 1.991 2.575 . 0 0 "[ . 1 . 2]" 1
389 1 19 GLU H 1 94 GLU QB . . 4.860 3.875 3.582 4.161 . 0 0 "[ . 1 . 2]" 1
390 1 19 GLU H 1 95 TYR HA . . 3.980 2.865 2.394 3.340 . 0 0 "[ . 1 . 2]" 1
391 1 19 GLU H 1 95 TYR QD . . 4.320 4.268 4.046 4.418 0.098 20 0 "[ . 1 . 2]" 1
392 1 19 GLU H 1 96 LEU H . . 4.830 4.462 4.084 4.893 0.063 16 0 "[ . 1 . 2]" 1
393 1 19 GLU HA 1 19 GLU QG . . 3.810 2.420 2.139 2.693 . 0 0 "[ . 1 . 2]" 1
394 1 19 GLU HA 1 27 ALA MB . . 4.110 3.326 2.554 4.035 . 0 0 "[ . 1 . 2]" 1
395 1 19 GLU HA 1 30 ARG HD2 . . 4.140 3.269 2.098 4.154 0.014 5 0 "[ . 1 . 2]" 1
396 1 19 GLU HA 1 30 ARG HD3 . . 4.140 3.646 2.858 4.173 0.033 17 0 "[ . 1 . 2]" 1
397 1 19 GLU HA 1 30 ARG HG2 . . 4.360 2.605 1.991 5.114 0.754 16 1 "[ . 1 .+ 2]" 1
398 1 19 GLU HB2 1 20 MET H . . 3.750 2.486 2.296 2.718 . 0 0 "[ . 1 . 2]" 1
399 1 19 GLU HB2 1 20 MET HA . . 4.920 4.677 4.235 4.989 0.069 16 0 "[ . 1 . 2]" 1
400 1 19 GLU HB2 1 20 MET HG2 . . 3.970 3.409 2.433 4.338 0.368 16 0 "[ . 1 . 2]" 1
401 1 19 GLU HB2 1 20 MET HG3 . . 4.620 4.159 2.697 4.796 0.176 6 0 "[ . 1 . 2]" 1
402 1 19 GLU HB2 1 94 GLU QB . . 3.620 2.654 2.167 3.452 . 0 0 "[ . 1 . 2]" 1
403 1 19 GLU HB3 1 20 MET H . . 3.910 3.439 3.111 3.937 0.027 10 0 "[ . 1 . 2]" 1
404 1 19 GLU HB3 1 20 MET HG2 . . 3.630 3.050 2.614 3.849 0.219 14 0 "[ . 1 . 2]" 1
405 1 19 GLU QG 1 20 MET H . . 4.880 4.091 3.871 4.360 . 0 0 "[ . 1 . 2]" 1
406 1 19 GLU QG 1 96 LEU QD . . 4.010 2.386 2.026 2.713 . 0 0 "[ . 1 . 2]" 1
407 1 19 GLU QG 1 96 LEU HG . . 3.950 2.545 2.131 2.969 . 0 0 "[ . 1 . 2]" 1
408 1 20 MET H 1 20 MET HB2 . . 3.780 2.559 2.487 2.779 . 0 0 "[ . 1 . 2]" 1
409 1 20 MET H 1 20 MET HG2 . . 3.970 3.090 2.778 3.559 . 0 0 "[ . 1 . 2]" 1
410 1 20 MET H 1 20 MET HG3 . . 4.620 3.796 2.866 4.386 . 0 0 "[ . 1 . 2]" 1
411 1 20 MET H 1 21 GLU H . . 4.810 4.473 4.382 4.520 . 0 0 "[ . 1 . 2]" 1
412 1 20 MET H 1 27 ALA H . . 4.890 4.689 4.142 4.922 0.032 4 0 "[ . 1 . 2]" 1
413 1 20 MET H 1 27 ALA MB . . 4.610 3.718 3.328 4.172 . 0 0 "[ . 1 . 2]" 1
414 1 20 MET H 1 93 LYS HA . . 4.990 4.383 3.915 4.678 . 0 0 "[ . 1 . 2]" 1
415 1 20 MET H 1 94 GLU QB . . 3.530 2.841 2.597 3.222 . 0 0 "[ . 1 . 2]" 1
416 1 20 MET H 1 95 TYR HA . . 4.540 4.444 4.114 4.550 0.010 8 0 "[ . 1 . 2]" 1
417 1 20 MET HA 1 20 MET ME . . 3.670 3.322 2.573 3.687 0.017 6 0 "[ . 1 . 2]" 1
418 1 20 MET HA 1 20 MET HG2 . . 4.040 2.750 2.370 2.964 . 0 0 "[ . 1 . 2]" 1
419 1 20 MET HA 1 20 MET HG3 . . 4.150 3.698 3.468 3.790 . 0 0 "[ . 1 . 2]" 1
420 1 20 MET HA 1 21 GLU H . . 3.150 2.349 2.230 2.490 . 0 0 "[ . 1 . 2]" 1
421 1 20 MET HA 1 21 GLU HA . . 4.640 4.348 4.328 4.373 . 0 0 "[ . 1 . 2]" 1
422 1 20 MET HA 1 21 GLU HB2 . . 4.640 4.624 4.442 4.734 0.094 17 0 "[ . 1 . 2]" 1
423 1 20 MET HA 1 21 GLU HB3 . . 4.810 4.418 4.336 4.629 . 0 0 "[ . 1 . 2]" 1
424 1 20 MET HA 1 22 ALA H . . 4.120 3.766 3.536 3.964 . 0 0 "[ . 1 . 2]" 1
425 1 20 MET HA 1 26 LYS QB . . 4.670 4.316 3.528 4.693 0.023 7 0 "[ . 1 . 2]" 1
426 1 20 MET HA 1 27 ALA H . . 3.360 2.558 2.118 2.859 . 0 0 "[ . 1 . 2]" 1
427 1 20 MET HA 1 27 ALA HA . . 4.730 4.355 4.027 4.793 0.063 16 0 "[ . 1 . 2]" 1
428 1 20 MET HA 1 27 ALA MB . . 3.770 3.033 2.734 3.763 . 0 0 "[ . 1 . 2]" 1
429 1 20 MET HB2 1 21 GLU H . . 4.300 3.974 3.733 4.210 . 0 0 "[ . 1 . 2]" 1
430 1 20 MET HB2 1 22 ALA H . . 4.470 3.930 3.626 4.249 . 0 0 "[ . 1 . 2]" 1
431 1 20 MET HB2 1 93 LYS HA . . 3.620 3.426 3.074 3.638 0.018 3 0 "[ . 1 . 2]" 1
432 1 20 MET HB2 1 94 GLU H . . 3.520 2.219 1.947 2.615 . 0 0 "[ . 1 . 2]" 1
433 1 20 MET HB2 1 94 GLU QB . . 2.940 2.310 1.953 2.519 . 0 0 "[ . 1 . 2]" 1
434 1 20 MET HB3 1 21 GLU H . . 3.640 2.877 2.489 3.316 . 0 0 "[ . 1 . 2]" 1
435 1 20 MET HB3 1 22 ALA H . . 4.110 2.616 2.426 2.920 . 0 0 "[ . 1 . 2]" 1
436 1 20 MET HB3 1 93 LYS HA . . 4.050 3.971 3.265 4.076 0.026 14 0 "[ . 1 . 2]" 1
437 1 20 MET HB3 1 94 GLU H . . 3.900 3.625 3.409 3.918 0.018 20 0 "[ . 1 . 2]" 1
438 1 20 MET HB3 1 94 GLU QB . . 3.970 3.847 3.355 4.003 0.033 16 0 "[ . 1 . 2]" 1
439 1 20 MET ME 1 20 MET HG3 . . 3.050 2.635 2.211 3.383 0.333 12 0 "[ . 1 . 2]" 1
440 1 20 MET ME 1 22 ALA H . . 3.870 3.229 2.733 3.663 . 0 0 "[ . 1 . 2]" 1
441 1 20 MET ME 1 23 PHE HA . . 3.800 3.623 3.070 3.826 0.026 14 0 "[ . 1 . 2]" 1
442 1 20 MET ME 1 24 GLY H . . 3.180 2.484 2.133 2.832 . 0 0 "[ . 1 . 2]" 1
443 1 20 MET ME 1 24 GLY HA2 . . 3.560 2.524 2.240 2.981 . 0 0 "[ . 1 . 2]" 1
444 1 20 MET ME 1 24 GLY HA3 . . 3.740 3.704 3.548 3.805 0.065 20 0 "[ . 1 . 2]" 1
445 1 20 MET ME 1 25 LYS H . . 2.910 2.356 1.748 2.934 0.024 15 0 "[ . 1 . 2]" 1
446 1 20 MET ME 1 25 LYS HA . . 4.040 3.605 3.334 3.847 . 0 0 "[ . 1 . 2]" 1
447 1 20 MET ME 1 25 LYS HB2 . . 4.640 4.301 3.484 4.605 . 0 0 "[ . 1 . 2]" 1
448 1 20 MET ME 1 25 LYS QE . . 4.730 4.690 4.401 4.802 0.072 20 0 "[ . 1 . 2]" 1
449 1 20 MET ME 1 26 LYS H . . 3.980 3.865 3.641 4.018 0.038 15 0 "[ . 1 . 2]" 1
450 1 20 MET HG2 1 94 GLU QB . . 3.590 3.433 3.068 3.728 0.138 14 0 "[ . 1 . 2]" 1
451 1 20 MET HG3 1 94 GLU H . . 4.940 4.354 3.603 4.930 . 0 0 "[ . 1 . 2]" 1
452 1 20 MET HG3 1 94 GLU QB . . 3.620 3.012 2.089 3.634 0.014 15 0 "[ . 1 . 2]" 1
453 1 21 GLU H 1 21 GLU HB3 . . 3.430 2.385 2.298 2.506 . 0 0 "[ . 1 . 2]" 1
454 1 21 GLU H 1 21 GLU HG3 . . 4.410 4.446 4.420 4.460 0.050 9 0 "[ . 1 . 2]" 1
455 1 21 GLU H 1 22 ALA H . . 3.150 2.028 1.906 2.170 . 0 0 "[ . 1 . 2]" 1
456 1 21 GLU H 1 22 ALA MB . . 4.320 4.088 3.980 4.155 . 0 0 "[ . 1 . 2]" 1
457 1 21 GLU H 1 25 LYS H . . 5.210 4.482 4.107 5.092 . 0 0 "[ . 1 . 2]" 1
458 1 21 GLU H 1 25 LYS HB2 . . 4.790 4.715 4.333 4.830 0.040 7 0 "[ . 1 . 2]" 1
459 1 21 GLU H 1 25 LYS HB3 . . 4.690 3.211 2.884 3.429 . 0 0 "[ . 1 . 2]" 1
460 1 21 GLU H 1 27 ALA H . . 4.170 3.620 3.006 3.919 . 0 0 "[ . 1 . 2]" 1
461 1 21 GLU H 1 27 ALA HA . . 4.270 3.899 3.167 4.119 . 0 0 "[ . 1 . 2]" 1
462 1 21 GLU H 1 27 ALA MB . . 4.060 3.633 3.078 4.047 . 0 0 "[ . 1 . 2]" 1
463 1 21 GLU HA 1 21 GLU HG2 . . 3.550 3.582 3.561 3.640 0.090 20 0 "[ . 1 . 2]" 1
464 1 21 GLU HA 1 21 GLU HG3 . . 3.560 2.612 2.405 2.710 . 0 0 "[ . 1 . 2]" 1
465 1 21 GLU HA 1 27 ALA MB . . 4.700 3.947 3.462 4.285 . 0 0 "[ . 1 . 2]" 1
466 1 21 GLU HA 1 93 LYS HA . . 3.740 3.260 2.996 3.443 . 0 0 "[ . 1 . 2]" 1
467 1 21 GLU HA 1 93 LYS HB3 . . 4.920 4.841 4.531 4.987 0.067 20 0 "[ . 1 . 2]" 1
468 1 21 GLU HA 1 93 LYS HD3 . . 4.390 3.712 3.458 4.170 . 0 0 "[ . 1 . 2]" 1
469 1 21 GLU HA 1 93 LYS QE . . 4.300 3.684 3.220 4.082 . 0 0 "[ . 1 . 2]" 1
470 1 21 GLU HA 1 93 LYS HG2 . . 3.620 2.479 1.992 2.986 . 0 0 "[ . 1 . 2]" 1
471 1 21 GLU HA 1 93 LYS HG3 . . 3.730 2.410 2.000 2.763 . 0 0 "[ . 1 . 2]" 1
472 1 21 GLU HB2 1 27 ALA HA . . 3.320 2.790 2.214 3.235 . 0 0 "[ . 1 . 2]" 1
473 1 21 GLU HB2 1 27 ALA MB . . 4.430 3.077 2.435 3.583 . 0 0 "[ . 1 . 2]" 1
474 1 21 GLU HB2 1 28 ALA H . . 4.560 4.337 3.810 4.577 0.017 7 0 "[ . 1 . 2]" 1
475 1 21 GLU HB3 1 22 ALA H . . 3.440 3.446 3.340 3.501 0.061 7 0 "[ . 1 . 2]" 1
476 1 21 GLU HB3 1 22 ALA MB . . 3.810 3.736 3.538 3.840 0.030 12 0 "[ . 1 . 2]" 1
477 1 21 GLU HB3 1 28 ALA H . . 4.870 4.858 4.533 4.911 0.041 17 0 "[ . 1 . 2]" 1
478 1 21 GLU HG2 1 22 ALA MB . . 3.750 2.757 2.499 3.316 . 0 0 "[ . 1 . 2]" 1
479 1 21 GLU HG2 1 25 LYS QD . . 4.150 2.852 2.325 3.371 . 0 0 "[ . 1 . 2]" 1
480 1 21 GLU HG3 1 22 ALA H . . 4.740 4.589 4.521 4.679 . 0 0 "[ . 1 . 2]" 1
481 1 21 GLU HG3 1 22 ALA MB . . 4.100 3.568 3.394 3.807 . 0 0 "[ . 1 . 2]" 1
482 1 21 GLU HG3 1 25 LYS QD . . 4.470 4.369 3.910 4.567 0.097 7 0 "[ . 1 . 2]" 1
483 1 21 GLU HG3 1 93 LYS HG2 . . 4.750 4.240 3.593 4.685 . 0 0 "[ . 1 . 2]" 1
484 1 22 ALA H 1 22 ALA MB . . 3.200 2.910 2.824 2.940 . 0 0 "[ . 1 . 2]" 1
485 1 22 ALA H 1 25 LYS H . . 4.030 3.410 3.161 4.027 . 0 0 "[ . 1 . 2]" 1
486 1 22 ALA H 1 25 LYS HB2 . . 4.060 3.825 3.296 4.087 0.027 7 0 "[ . 1 . 2]" 1
487 1 22 ALA H 1 25 LYS HB3 . . 3.910 2.468 2.222 2.854 . 0 0 "[ . 1 . 2]" 1
488 1 22 ALA H 1 93 LYS HA . . 4.830 3.906 3.775 4.137 . 0 0 "[ . 1 . 2]" 1
489 1 22 ALA HA 1 23 PHE H . . 3.040 2.518 2.368 2.615 . 0 0 "[ . 1 . 2]" 1
490 1 22 ALA HA 1 92 GLY HA2 . . 4.220 3.781 2.203 4.119 . 0 0 "[ . 1 . 2]" 1
491 1 22 ALA HA 1 92 GLY HA3 . . 3.730 2.557 2.399 2.832 . 0 0 "[ . 1 . 2]" 1
492 1 22 ALA HA 1 93 LYS H . . 4.280 4.200 3.832 4.468 0.188 12 0 "[ . 1 . 2]" 1
493 1 22 ALA HA 1 93 LYS HA . . 4.280 3.850 3.524 4.241 . 0 0 "[ . 1 . 2]" 1
494 1 22 ALA HA 1 93 LYS HG3 . . 4.280 3.955 3.518 4.325 0.045 20 0 "[ . 1 . 2]" 1
495 1 22 ALA MB 1 23 PHE H . . 2.900 2.522 2.310 2.748 . 0 0 "[ . 1 . 2]" 1
496 1 22 ALA MB 1 23 PHE HA . . 4.470 4.376 4.317 4.499 0.029 8 0 "[ . 1 . 2]" 1
497 1 22 ALA MB 1 23 PHE HB2 . . 4.040 3.829 3.734 4.031 . 0 0 "[ . 1 . 2]" 1
498 1 22 ALA MB 1 23 PHE QD . . 4.000 3.915 3.680 4.049 0.049 12 0 "[ . 1 . 2]" 1
499 1 22 ALA MB 1 25 LYS H . . 4.050 3.576 3.137 4.044 . 0 0 "[ . 1 . 2]" 1
500 1 22 ALA MB 1 25 LYS HB3 . . 3.070 2.285 1.935 2.619 . 0 0 "[ . 1 . 2]" 1
501 1 22 ALA MB 1 92 GLY HA3 . . 3.870 3.826 3.636 4.025 0.155 12 0 "[ . 1 . 2]" 1
502 1 23 PHE H 1 23 PHE HB2 . . 3.390 2.541 2.442 2.692 . 0 0 "[ . 1 . 2]" 1
503 1 23 PHE H 1 23 PHE HB3 . . 3.600 3.474 3.445 3.499 . 0 0 "[ . 1 . 2]" 1
504 1 23 PHE H 1 23 PHE QD . . 3.830 2.749 2.426 2.854 . 0 0 "[ . 1 . 2]" 1
505 1 23 PHE H 1 23 PHE QE . . 4.110 4.119 3.966 4.184 0.074 7 0 "[ . 1 . 2]" 1
506 1 23 PHE H 1 24 GLY H . . 4.530 4.485 4.388 4.596 0.066 20 0 "[ . 1 . 2]" 1
507 1 23 PHE H 1 92 GLY HA3 . . 3.270 2.495 2.049 3.487 0.217 20 0 "[ . 1 . 2]" 1
508 1 23 PHE HA 1 23 PHE QD . . 3.170 2.433 2.287 2.718 . 0 0 "[ . 1 . 2]" 1
509 1 23 PHE HA 1 24 GLY H . . 3.060 2.199 2.193 2.218 . 0 0 "[ . 1 . 2]" 1
510 1 23 PHE HA 1 24 GLY HA2 . . 4.350 4.376 4.369 4.380 0.030 2 0 "[ . 1 . 2]" 1
511 1 23 PHE HA 1 24 GLY HA3 . . 4.630 4.405 4.384 4.451 . 0 0 "[ . 1 . 2]" 1
512 1 23 PHE HA 1 25 LYS H . . 4.440 3.620 3.432 3.998 . 0 0 "[ . 1 . 2]" 1
513 1 23 PHE HA 1 92 GLY HA2 . . 4.650 3.972 2.694 4.472 . 0 0 "[ . 1 . 2]" 1
514 1 23 PHE HA 1 92 GLY HA3 . . 4.600 3.426 2.994 4.794 0.194 12 0 "[ . 1 . 2]" 1
515 1 23 PHE HB2 1 24 GLY H . . 4.420 4.374 4.120 4.470 0.050 7 0 "[ . 1 . 2]" 1
516 1 23 PHE HB3 1 24 GLY H . . 4.040 3.689 3.427 3.890 . 0 0 "[ . 1 . 2]" 1
517 1 23 PHE HB3 1 24 GLY HA3 . . 4.500 4.479 4.377 4.544 0.044 12 0 "[ . 1 . 2]" 1
518 1 23 PHE QD 1 24 GLY H . . 4.210 4.234 4.139 4.293 0.083 20 0 "[ . 1 . 2]" 1
519 1 23 PHE QD 1 92 GLY HA2 . . 4.550 3.407 2.519 3.976 . 0 0 "[ . 1 . 2]" 1
520 1 23 PHE QE 1 92 GLY HA3 . . 4.390 3.541 2.827 3.823 . 0 0 "[ . 1 . 2]" 1
521 1 23 PHE HZ 1 92 GLY HA2 . . 4.610 4.452 4.014 4.730 0.120 12 0 "[ . 1 . 2]" 1
522 1 23 PHE HZ 1 92 GLY HA3 . . 4.610 4.388 3.738 4.568 . 0 0 "[ . 1 . 2]" 1
523 1 24 GLY H 1 25 LYS H . . 3.610 2.835 2.597 3.289 . 0 0 "[ . 1 . 2]" 1
524 1 25 LYS H 1 25 LYS HB2 . . 3.560 2.639 2.078 3.133 . 0 0 "[ . 1 . 2]" 1
525 1 25 LYS H 1 25 LYS HB3 . . 3.570 2.694 2.250 3.230 . 0 0 "[ . 1 . 2]" 1
526 1 25 LYS H 1 25 LYS HG2 . . 4.540 4.347 4.062 4.496 . 0 0 "[ . 1 . 2]" 1
527 1 25 LYS H 1 25 LYS HG3 . . 4.630 4.294 4.112 4.651 0.021 16 0 "[ . 1 . 2]" 1
528 1 25 LYS H 1 26 LYS H . . 4.710 4.454 4.241 4.565 . 0 0 "[ . 1 . 2]" 1
529 1 25 LYS HA 1 25 LYS QD . . 4.170 3.563 3.092 4.002 . 0 0 "[ . 1 . 2]" 1
530 1 25 LYS HA 1 25 LYS HG2 . . 3.870 2.843 1.940 3.910 0.040 14 0 "[ . 1 . 2]" 1
531 1 25 LYS HA 1 25 LYS HG3 . . 3.850 3.021 2.758 3.248 . 0 0 "[ . 1 . 2]" 1
532 1 25 LYS HA 1 26 LYS H . . 2.930 2.227 2.177 2.936 0.006 20 0 "[ . 1 . 2]" 1
533 1 25 LYS HB2 1 25 LYS QE . . 4.670 3.480 2.917 4.068 . 0 0 "[ . 1 . 2]" 1
534 1 25 LYS HB2 1 25 LYS HG3 . . 2.930 2.597 2.264 3.016 0.086 14 0 "[ . 1 . 2]" 1
535 1 25 LYS HB2 1 26 LYS H . . 4.530 4.342 3.581 4.581 0.051 15 0 "[ . 1 . 2]" 1
536 1 25 LYS HB3 1 26 LYS H . . 4.700 4.076 2.340 4.525 . 0 0 "[ . 1 . 2]" 1
537 1 25 LYS QE 1 25 LYS HG2 . . 2.950 2.687 1.973 3.341 0.391 5 0 "[ . 1 . 2]" 1
538 1 25 LYS QE 1 25 LYS HG3 . . 3.910 2.813 2.114 3.406 . 0 0 "[ . 1 . 2]" 1
539 1 25 LYS QE 1 26 LYS H . . 4.880 2.132 1.885 2.544 . 0 0 "[ . 1 . 2]" 1
540 1 25 LYS QE 1 26 LYS QB . . 4.200 4.128 3.885 4.241 0.041 9 0 "[ . 1 . 2]" 1
541 1 25 LYS QE 1 26 LYS HG2 . . 3.710 3.065 2.481 3.422 . 0 0 "[ . 1 . 2]" 1
542 1 25 LYS HG2 1 26 LYS H . . 4.410 3.663 1.935 4.733 0.323 14 0 "[ . 1 . 2]" 1
543 1 25 LYS HG3 1 26 LYS H . . 4.720 3.795 2.650 4.731 0.011 15 0 "[ . 1 . 2]" 1
544 1 26 LYS H 1 26 LYS QB . . 3.100 2.658 2.445 3.172 0.072 20 0 "[ . 1 . 2]" 1
545 1 26 LYS H 1 26 LYS HD3 . . 4.500 3.130 2.110 4.507 0.007 16 0 "[ . 1 . 2]" 1
546 1 26 LYS H 1 26 LYS HG2 . . 3.560 2.377 1.946 2.745 . 0 0 "[ . 1 . 2]" 1
547 1 26 LYS H 1 26 LYS HG3 . . 3.860 3.665 3.200 3.809 . 0 0 "[ . 1 . 2]" 1
548 1 26 LYS H 1 27 ALA H . . 5.130 4.540 4.263 4.610 . 0 0 "[ . 1 . 2]" 1
549 1 26 LYS QB 1 27 ALA H . . 3.540 3.050 2.840 3.394 . 0 0 "[ . 1 . 2]" 1
550 1 26 LYS QB 1 30 ARG HD3 . . 3.820 3.506 2.763 4.600 0.780 9 2 "[ - +1 . 2]" 1
551 1 26 LYS HG2 1 27 ALA H . . 4.230 4.391 3.995 4.870 0.640 14 6 "[* . * +.* * -]" 1
552 1 26 LYS HG3 1 27 ALA H . . 4.790 4.410 3.740 4.708 . 0 0 "[ . 1 . 2]" 1
553 1 27 ALA H 1 27 ALA MB . . 2.910 2.090 1.951 2.217 . 0 0 "[ . 1 . 2]" 1
554 1 27 ALA H 1 30 ARG HD2 . . 4.640 4.093 2.743 4.657 0.017 7 0 "[ . 1 . 2]" 1
555 1 27 ALA H 1 30 ARG HD3 . . 4.600 3.313 1.940 4.555 . 0 0 "[ . 1 . 2]" 1
556 1 27 ALA HA 1 28 ALA H . . 2.860 2.273 2.187 2.741 . 0 0 "[ . 1 . 2]" 1
557 1 27 ALA HA 1 28 ALA MB . . 3.930 3.938 3.891 4.048 0.118 11 0 "[ . 1 . 2]" 1
558 1 27 ALA MB 1 28 ALA H . . 3.370 3.007 1.981 3.386 0.016 15 0 "[ . 1 . 2]" 1
559 1 27 ALA MB 1 28 ALA MB . . 4.410 4.022 3.752 4.274 . 0 0 "[ . 1 . 2]" 1
560 1 27 ALA MB 1 29 ASN H . . 3.770 3.610 3.171 3.796 0.026 18 0 "[ . 1 . 2]" 1
561 1 27 ALA MB 1 30 ARG HD2 . . 4.290 3.831 2.032 4.305 0.015 2 0 "[ . 1 . 2]" 1
562 1 27 ALA MB 1 30 ARG HD3 . . 3.950 3.386 1.990 4.240 0.290 11 0 "[ . 1 . 2]" 1
563 1 27 ALA MB 1 30 ARG HG3 . . 3.500 2.610 1.961 3.740 0.240 16 0 "[ . 1 . 2]" 1
564 1 28 ALA H 1 28 ALA MB . . 2.830 1.984 1.938 2.303 . 0 0 "[ . 1 . 2]" 1
565 1 28 ALA H 1 29 ASN H . . 3.710 3.162 2.614 3.389 . 0 0 "[ . 1 . 2]" 1
566 1 28 ALA MB 1 29 ASN H . . 3.410 2.113 1.903 2.419 . 0 0 "[ . 1 . 2]" 1
567 1 28 ALA MB 1 29 ASN HB2 . . 4.630 3.562 3.080 4.748 0.118 11 0 "[ . 1 . 2]" 1
568 1 28 ALA MB 1 29 ASN HB3 . . 4.230 4.249 3.299 4.642 0.412 18 0 "[ . 1 . 2]" 1
569 1 29 ASN H 1 29 ASN HB2 . . 3.740 2.595 2.037 3.610 . 0 0 "[ . 1 . 2]" 1
570 1 29 ASN H 1 29 ASN HB3 . . 3.840 2.954 2.415 3.687 . 0 0 "[ . 1 . 2]" 1
571 1 30 ARG H 1 30 ARG HB3 . . 3.980 3.698 3.040 3.983 0.003 1 0 "[ . 1 . 2]" 1
572 1 30 ARG H 1 30 ARG HG2 . . 4.710 4.105 1.952 4.814 0.104 17 0 "[ . 1 . 2]" 1
573 1 30 ARG H 1 30 ARG HG3 . . 4.350 3.280 2.541 4.305 . 0 0 "[ . 1 . 2]" 1
574 1 30 ARG H 1 31 SER H . . 4.210 3.178 2.498 3.950 . 0 0 "[ . 1 . 2]" 1
575 1 30 ARG HB2 1 30 ARG HD2 . . 3.700 2.999 2.262 3.704 0.004 15 0 "[ . 1 . 2]" 1
576 1 30 ARG HB2 1 30 ARG HD3 . . 3.700 3.311 2.130 3.925 0.225 12 0 "[ . 1 . 2]" 1
577 1 30 ARG HB2 1 31 SER H . . 5.070 4.503 3.986 4.702 . 0 0 "[ . 1 . 2]" 1
578 1 30 ARG HB3 1 30 ARG HD2 . . 4.040 2.981 2.368 4.054 0.014 9 0 "[ . 1 . 2]" 1
579 1 30 ARG HG2 1 31 SER H . . 4.820 5.077 4.640 5.476 0.656 9 7 "[ -*. * +* *. *2]" 1
580 1 31 SER H 1 31 SER HB2 . . 3.550 3.057 2.531 3.579 0.029 11 0 "[ . 1 . 2]" 1
581 1 31 SER H 1 31 SER HB3 . . 3.610 3.483 2.488 3.736 0.126 16 0 "[ . 1 . 2]" 1
582 1 31 SER H 1 32 TRP H . . 4.920 4.511 4.426 4.582 . 0 0 "[ . 1 . 2]" 1
583 1 31 SER H 1 33 GLN QE . . 4.990 4.064 2.953 4.889 . 0 0 "[ . 1 . 2]" 1
584 1 31 SER HA 1 32 TRP H . . 3.110 2.479 2.267 2.569 . 0 0 "[ . 1 . 2]" 1
585 1 31 SER HA 1 32 TRP HD1 . . 4.550 4.037 3.675 4.455 . 0 0 "[ . 1 . 2]" 1
586 1 31 SER HB2 1 32 TRP H . . 3.550 3.216 2.437 3.657 0.107 8 0 "[ . 1 . 2]" 1
587 1 31 SER HB2 1 33 GLN QE . . 4.630 3.326 1.930 4.612 . 0 0 "[ . 1 . 2]" 1
588 1 31 SER HB2 1 33 GLN QG . . 4.790 3.415 2.738 4.784 . 0 0 "[ . 1 . 2]" 1
589 1 31 SER HB3 1 32 TRP H . . 3.530 3.051 2.373 3.681 0.151 2 0 "[ . 1 . 2]" 1
590 1 32 TRP H 1 32 TRP HB2 . . 3.490 2.265 2.231 2.303 . 0 0 "[ . 1 . 2]" 1
591 1 32 TRP H 1 32 TRP HB3 . . 3.730 3.522 3.499 3.549 . 0 0 "[ . 1 . 2]" 1
592 1 32 TRP H 1 32 TRP HD1 . . 3.530 2.964 2.827 3.163 . 0 0 "[ . 1 . 2]" 1
593 1 32 TRP H 1 33 GLN H . . 5.120 4.539 4.510 4.577 . 0 0 "[ . 1 . 2]" 1
594 1 32 TRP HA 1 32 TRP HE3 . . 4.010 3.038 2.772 3.298 . 0 0 "[ . 1 . 2]" 1
595 1 32 TRP HA 1 33 GLN H . . 3.140 2.227 2.205 2.253 . 0 0 "[ . 1 . 2]" 1
596 1 32 TRP HB2 1 32 TRP HD1 . . 3.560 2.697 2.650 2.754 . 0 0 "[ . 1 . 2]" 1
597 1 32 TRP HB2 1 33 GLN H . . 4.640 4.370 4.294 4.464 . 0 0 "[ . 1 . 2]" 1
598 1 32 TRP HB3 1 32 TRP HE3 . . 3.660 2.566 2.475 2.667 . 0 0 "[ . 1 . 2]" 1
599 1 32 TRP HB3 1 33 GLN H . . 4.240 3.356 3.210 3.560 . 0 0 "[ . 1 . 2]" 1
600 1 32 TRP HE1 1 78 TYR QE . . 4.700 3.759 2.969 4.596 . 0 0 "[ . 1 . 2]" 1
601 1 32 TRP HE3 1 33 GLN H . . 4.560 3.410 3.263 3.575 . 0 0 "[ . 1 . 2]" 1
602 1 32 TRP HH2 1 84 VAL MG1 . . 3.420 2.459 2.180 2.867 . 0 0 "[ . 1 . 2]" 1
603 1 32 TRP HH2 1 84 VAL MG2 . . 3.690 3.601 3.273 3.726 0.036 9 0 "[ . 1 . 2]" 1
604 1 32 TRP HH2 1 96 LEU HB2 . . 3.800 3.419 3.214 3.726 . 0 0 "[ . 1 . 2]" 1
605 1 32 TRP HH2 1 96 LEU HB3 . . 3.630 2.065 1.976 2.404 . 0 0 "[ . 1 . 2]" 1
606 1 32 TRP HH2 1 96 LEU QD . . 4.010 3.036 2.720 3.255 . 0 0 "[ . 1 . 2]" 1
607 1 32 TRP HH2 1 98 GLN HB2 . . 4.520 3.701 3.414 3.960 . 0 0 "[ . 1 . 2]" 1
608 1 32 TRP HZ2 1 78 TYR QD . . 4.200 3.993 3.857 4.178 . 0 0 "[ . 1 . 2]" 1
609 1 32 TRP HZ2 1 78 TYR QE . . 3.390 2.189 1.974 2.663 . 0 0 "[ . 1 . 2]" 1
610 1 32 TRP HZ2 1 84 VAL MG1 . . 4.510 3.844 3.499 4.260 . 0 0 "[ . 1 . 2]" 1
611 1 32 TRP HZ2 1 96 LEU QD . . 3.870 2.570 2.319 2.911 . 0 0 "[ . 1 . 2]" 1
612 1 32 TRP HZ3 1 84 VAL MG1 . . 4.450 3.879 3.422 4.261 . 0 0 "[ . 1 . 2]" 1
613 1 32 TRP HZ3 1 97 PHE HA . . 3.990 3.324 3.074 3.447 . 0 0 "[ . 1 . 2]" 1
614 1 32 TRP HZ3 1 98 GLN H . . 3.790 3.288 2.782 3.805 0.015 19 0 "[ . 1 . 2]" 1
615 1 32 TRP HZ3 1 98 GLN HB2 . . 4.240 3.111 2.749 3.339 . 0 0 "[ . 1 . 2]" 1
616 1 32 TRP HZ3 1 98 GLN HB3 . . 4.400 3.708 3.398 4.248 . 0 0 "[ . 1 . 2]" 1
617 1 33 GLN H 1 33 GLN HB3 . . 3.800 3.818 3.743 3.892 0.092 15 0 "[ . 1 . 2]" 1
618 1 33 GLN H 1 33 GLN QG . . 4.430 3.393 3.136 3.712 . 0 0 "[ . 1 . 2]" 1
619 1 33 GLN H 1 34 ASN HA . . 5.100 4.577 4.482 4.659 . 0 0 "[ . 1 . 2]" 1
620 1 33 GLN HA 1 34 ASN H . . 3.150 2.241 2.204 2.288 . 0 0 "[ . 1 . 2]" 1
621 1 33 GLN HB2 1 35 VAL MG2 . . 3.870 2.835 2.625 3.005 . 0 0 "[ . 1 . 2]" 1
622 1 33 GLN HB3 1 34 ASN H . . 4.730 3.282 3.047 3.535 . 0 0 "[ . 1 . 2]" 1
623 1 33 GLN HB3 1 35 VAL MG2 . . 4.010 2.802 2.656 2.978 . 0 0 "[ . 1 . 2]" 1
624 1 34 ASN H 1 34 ASN HB3 . . 3.450 3.161 2.596 3.545 0.095 19 0 "[ . 1 . 2]" 1
625 1 34 ASN H 1 35 VAL MG2 . . 5.110 3.896 3.801 4.035 . 0 0 "[ . 1 . 2]" 1
626 1 34 ASN HA 1 35 VAL H . . 2.880 2.275 2.274 2.278 . 0 0 "[ . 1 . 2]" 1
627 1 34 ASN HA 1 35 VAL HA . . 4.480 4.434 4.430 4.438 . 0 0 "[ . 1 . 2]" 1
628 1 34 ASN HA 1 35 VAL MG2 . . 4.070 3.667 3.577 3.816 . 0 0 "[ . 1 . 2]" 1
629 1 34 ASN HB2 1 34 ASN HD22 . . 4.100 3.818 3.446 4.147 0.047 16 0 "[ . 1 . 2]" 1
630 1 34 ASN HB2 1 35 VAL H . . 4.040 4.331 3.841 4.705 0.665 3 8 "[- + .***** . * 2]" 1
631 1 35 VAL H 1 35 VAL HB . . 4.010 2.621 2.531 2.688 . 0 0 "[ . 1 . 2]" 1
632 1 35 VAL H 1 35 VAL MG2 . . 3.420 2.642 2.507 2.779 . 0 0 "[ . 1 . 2]" 1
633 1 35 VAL HA 1 35 VAL MG1 . . 3.130 2.315 2.238 2.476 . 0 0 "[ . 1 . 2]" 1
634 1 35 VAL HA 1 35 VAL MG2 . . 3.600 2.478 2.414 2.520 . 0 0 "[ . 1 . 2]" 1
635 1 35 VAL HA 1 36 TYR H . . 2.770 2.193 2.185 2.205 . 0 0 "[ . 1 . 2]" 1
636 1 35 VAL HA 1 36 TYR HB2 . . 4.530 4.202 4.097 4.269 . 0 0 "[ . 1 . 2]" 1
637 1 35 VAL HA 1 36 TYR HB3 . . 4.830 4.646 4.555 4.803 . 0 0 "[ . 1 . 2]" 1
638 1 35 VAL HA 1 48 LYS HA . . 4.190 3.809 3.502 4.131 . 0 0 "[ . 1 . 2]" 1
639 1 35 VAL HB 1 36 TYR H . . 4.250 4.266 4.226 4.311 0.061 18 0 "[ . 1 . 2]" 1
640 1 35 VAL HB 1 37 CYS HG . . 4.330 4.300 4.080 4.395 0.065 15 0 "[ . 1 . 2]" 1
641 1 35 VAL HB 1 46 PHE HB3 . . 4.610 4.162 4.058 4.260 . 0 0 "[ . 1 . 2]" 1
642 1 35 VAL HB 1 46 PHE QD . . 4.300 3.710 3.573 3.876 . 0 0 "[ . 1 . 2]" 1
643 1 35 VAL MG1 1 36 TYR H . . 3.360 2.569 2.483 2.739 . 0 0 "[ . 1 . 2]" 1
644 1 35 VAL MG1 1 36 TYR HB3 . . 4.380 3.969 3.844 4.121 . 0 0 "[ . 1 . 2]" 1
645 1 35 VAL MG1 1 37 CYS HA . . 4.540 3.955 3.827 4.030 . 0 0 "[ . 1 . 2]" 1
646 1 35 VAL MG1 1 37 CYS HG . . 3.790 3.792 3.612 3.836 0.046 17 0 "[ . 1 . 2]" 1
647 1 35 VAL MG1 1 46 PHE H . . 5.290 4.573 4.441 4.676 . 0 0 "[ . 1 . 2]" 1
648 1 35 VAL MG1 1 46 PHE HA . . 3.700 2.749 2.547 2.977 . 0 0 "[ . 1 . 2]" 1
649 1 35 VAL MG1 1 46 PHE HB3 . . 3.350 1.823 1.789 1.864 . 0 0 "[ . 1 . 2]" 1
650 1 35 VAL MG1 1 46 PHE QD . . 3.160 2.124 1.973 2.285 . 0 0 "[ . 1 . 2]" 1
651 1 35 VAL MG1 1 46 PHE QE . . 4.260 4.020 3.893 4.156 . 0 0 "[ . 1 . 2]" 1
652 1 35 VAL MG1 1 47 TYR H . . 3.750 2.308 2.001 2.521 . 0 0 "[ . 1 . 2]" 1
653 1 35 VAL MG1 1 48 LYS HA . . 4.430 4.173 4.013 4.415 . 0 0 "[ . 1 . 2]" 1
654 1 35 VAL MG1 1 59 TYR HB2 . . 4.540 3.212 2.962 3.428 . 0 0 "[ . 1 . 2]" 1
655 1 35 VAL MG1 1 59 TYR HB3 . . 4.430 3.659 3.335 3.964 . 0 0 "[ . 1 . 2]" 1
656 1 35 VAL MG1 1 59 TYR QD . . 3.620 3.069 1.941 3.418 . 0 0 "[ . 1 . 2]" 1
657 1 35 VAL MG1 1 59 TYR QE . . 4.060 3.997 3.449 4.088 0.028 1 0 "[ . 1 . 2]" 1
658 1 35 VAL MG2 1 46 PHE HB3 . . 4.040 3.860 3.690 4.044 0.004 14 0 "[ . 1 . 2]" 1
659 1 35 VAL MG2 1 59 TYR QD . . 4.270 3.227 2.269 3.702 . 0 0 "[ . 1 . 2]" 1
660 1 35 VAL MG2 1 59 TYR QE . . 3.500 2.884 2.049 3.293 . 0 0 "[ . 1 . 2]" 1
661 1 36 TYR H 1 36 TYR HB2 . . 3.670 2.191 2.052 2.289 . 0 0 "[ . 1 . 2]" 1
662 1 36 TYR H 1 36 TYR HB3 . . 3.630 2.482 2.387 2.633 . 0 0 "[ . 1 . 2]" 1
663 1 36 TYR H 1 36 TYR QD . . 4.830 4.019 3.908 4.072 . 0 0 "[ . 1 . 2]" 1
664 1 36 TYR H 1 37 CYS H . . 5.210 4.445 4.394 4.489 . 0 0 "[ . 1 . 2]" 1
665 1 36 TYR H 1 47 TYR H . . 4.200 2.961 2.725 3.158 . 0 0 "[ . 1 . 2]" 1
666 1 36 TYR H 1 48 LYS HA . . 4.340 3.937 3.710 4.339 . 0 0 "[ . 1 . 2]" 1
667 1 36 TYR H 1 49 ASP HA . . 4.290 3.583 3.239 3.773 . 0 0 "[ . 1 . 2]" 1
668 1 36 TYR HA 1 36 TYR QD . . 3.670 2.604 2.204 2.804 . 0 0 "[ . 1 . 2]" 1
669 1 36 TYR HA 1 37 CYS H . . 3.160 2.196 2.189 2.210 . 0 0 "[ . 1 . 2]" 1
670 1 36 TYR HA 1 37 CYS HB2 . . 4.640 4.237 4.220 4.261 . 0 0 "[ . 1 . 2]" 1
671 1 36 TYR HB2 1 37 CYS H . . 4.910 4.600 4.550 4.661 . 0 0 "[ . 1 . 2]" 1
672 1 36 TYR HB2 1 47 TYR H . . 4.830 4.076 3.811 4.375 . 0 0 "[ . 1 . 2]" 1
673 1 36 TYR HB2 1 47 TYR HB2 . . 4.600 3.465 3.261 3.574 . 0 0 "[ . 1 . 2]" 1
674 1 36 TYR HB2 1 47 TYR HB3 . . 4.540 4.556 4.449 4.630 0.090 20 0 "[ . 1 . 2]" 1
675 1 36 TYR HB2 1 49 ASP HA . . 3.390 1.993 1.947 2.057 . 0 0 "[ . 1 . 2]" 1
676 1 36 TYR HB2 1 50 ALA H . . 5.010 3.958 3.683 4.212 . 0 0 "[ . 1 . 2]" 1
677 1 36 TYR HB3 1 38 VAL MG2 . . 4.060 3.356 3.197 3.571 . 0 0 "[ . 1 . 2]" 1
678 1 36 TYR HB3 1 47 TYR H . . 4.690 2.783 2.479 3.072 . 0 0 "[ . 1 . 2]" 1
679 1 36 TYR HB3 1 47 TYR HB3 . . 4.390 3.477 3.362 3.677 . 0 0 "[ . 1 . 2]" 1
680 1 36 TYR HB3 1 49 ASP HA . . 3.550 3.459 3.361 3.564 0.014 12 0 "[ . 1 . 2]" 1
681 1 36 TYR QD 1 37 CYS H . . 4.250 3.997 3.722 4.121 . 0 0 "[ . 1 . 2]" 1
682 1 36 TYR QD 1 38 VAL MG1 . . 4.690 4.371 4.160 4.700 0.010 14 0 "[ . 1 . 2]" 1
683 1 36 TYR QD 1 38 VAL MG2 . . 3.160 1.995 1.822 2.431 . 0 0 "[ . 1 . 2]" 1
684 1 36 TYR QD 1 47 TYR H . . 4.510 4.210 3.927 4.523 0.013 19 0 "[ . 1 . 2]" 1
685 1 36 TYR QD 1 47 TYR HB2 . . 4.060 2.537 2.117 2.789 . 0 0 "[ . 1 . 2]" 1
686 1 36 TYR QD 1 47 TYR HB3 . . 4.170 3.926 3.477 4.186 0.016 9 0 "[ . 1 . 2]" 1
687 1 36 TYR QD 1 47 TYR QD . . 3.770 3.443 3.133 3.788 0.018 5 0 "[ . 1 . 2]" 1
688 1 36 TYR QD 1 49 ASP HA . . 3.860 3.233 2.839 3.598 . 0 0 "[ . 1 . 2]" 1
689 1 36 TYR QD 1 50 ALA H . . 4.260 3.444 3.069 3.944 . 0 0 "[ . 1 . 2]" 1
690 1 36 TYR QD 1 50 ALA HA . . 4.000 3.419 3.035 3.773 . 0 0 "[ . 1 . 2]" 1
691 1 36 TYR QD 1 50 ALA MB . . 4.080 3.512 3.216 3.913 . 0 0 "[ . 1 . 2]" 1
692 1 36 TYR QD 1 53 ALA H . . 4.610 4.136 3.446 4.452 . 0 0 "[ . 1 . 2]" 1
693 1 36 TYR QD 1 53 ALA MB . . 3.100 2.196 1.852 2.425 . 0 0 "[ . 1 . 2]" 1
694 1 36 TYR QE 1 38 VAL MG1 . . 4.700 4.016 3.415 4.632 . 0 0 "[ . 1 . 2]" 1
695 1 36 TYR QE 1 38 VAL MG2 . . 2.900 2.328 1.942 2.903 0.003 12 0 "[ . 1 . 2]" 1
696 1 36 TYR QE 1 50 ALA H . . 4.330 3.808 3.416 4.117 . 0 0 "[ . 1 . 2]" 1
697 1 36 TYR QE 1 50 ALA HA . . 3.450 2.991 2.512 3.306 . 0 0 "[ . 1 . 2]" 1
698 1 36 TYR QE 1 50 ALA MB . . 3.490 2.389 1.985 2.889 . 0 0 "[ . 1 . 2]" 1
699 1 36 TYR QE 1 53 ALA H . . 4.750 4.677 4.252 4.794 0.044 3 0 "[ . 1 . 2]" 1
700 1 36 TYR QE 1 53 ALA MB . . 3.350 2.298 2.042 2.501 . 0 0 "[ . 1 . 2]" 1
701 1 37 CYS H 1 37 CYS HB2 . . 3.610 2.096 2.082 2.128 . 0 0 "[ . 1 . 2]" 1
702 1 37 CYS H 1 37 CYS HB3 . . 4.050 3.267 3.223 3.352 . 0 0 "[ . 1 . 2]" 1
703 1 37 CYS H 1 37 CYS HG . . 3.660 3.532 3.395 3.636 . 0 0 "[ . 1 . 2]" 1
704 1 37 CYS H 1 38 VAL MG2 . . 5.200 4.261 4.059 4.411 . 0 0 "[ . 1 . 2]" 1
705 1 37 CYS H 1 108 TRP HZ2 . . 4.400 3.919 3.760 4.174 . 0 0 "[ . 1 . 2]" 1
706 1 37 CYS HA 1 37 CYS HG . . 3.830 2.432 2.318 2.647 . 0 0 "[ . 1 . 2]" 1
707 1 37 CYS HA 1 38 VAL H . . 2.930 2.246 2.234 2.258 . 0 0 "[ . 1 . 2]" 1
708 1 37 CYS HA 1 38 VAL MG2 . . 4.160 3.745 3.581 4.060 . 0 0 "[ . 1 . 2]" 1
709 1 37 CYS HA 1 44 LEU MD1 . . 4.250 2.930 2.774 3.099 . 0 0 "[ . 1 . 2]" 1
710 1 37 CYS HA 1 45 GLY H . . 5.090 4.851 4.346 5.125 0.035 13 0 "[ . 1 . 2]" 1
711 1 37 CYS HA 1 46 PHE HA . . 3.830 3.074 2.996 3.194 . 0 0 "[ . 1 . 2]" 1
712 1 37 CYS HA 1 46 PHE QD . . 3.960 3.156 3.059 3.265 . 0 0 "[ . 1 . 2]" 1
713 1 37 CYS HA 1 47 TYR H . . 4.480 4.227 4.134 4.477 . 0 0 "[ . 1 . 2]" 1
714 1 37 CYS HA 1 108 TRP HH2 . . 4.810 4.379 4.318 4.495 . 0 0 "[ . 1 . 2]" 1
715 1 37 CYS HB2 1 37 CYS HG . . 3.150 2.674 2.574 2.774 . 0 0 "[ . 1 . 2]" 1
716 1 37 CYS HB2 1 38 VAL H . . 4.470 4.511 4.477 4.549 0.079 17 0 "[ . 1 . 2]" 1
717 1 37 CYS HB2 1 44 LEU MD1 . . 3.720 3.681 3.591 3.763 0.043 20 0 "[ . 1 . 2]" 1
718 1 37 CYS HB2 1 108 TRP HH2 . . 3.720 3.685 3.589 3.767 0.047 8 0 "[ . 1 . 2]" 1
719 1 37 CYS HB2 1 108 TRP HZ2 . . 3.880 3.249 3.031 3.464 . 0 0 "[ . 1 . 2]" 1
720 1 37 CYS HB3 1 38 VAL H . . 4.390 3.566 3.477 3.667 . 0 0 "[ . 1 . 2]" 1
721 1 37 CYS HB3 1 44 LEU MD1 . . 3.260 2.492 2.366 2.643 . 0 0 "[ . 1 . 2]" 1
722 1 37 CYS HB3 1 44 LEU MD2 . . 4.700 4.141 3.761 4.526 . 0 0 "[ . 1 . 2]" 1
723 1 37 CYS HB3 1 108 TRP HH2 . . 3.790 2.244 2.133 2.359 . 0 0 "[ . 1 . 2]" 1
724 1 37 CYS HB3 1 108 TRP HZ2 . . 4.100 3.014 2.826 3.179 . 0 0 "[ . 1 . 2]" 1
725 1 37 CYS HG 1 44 LEU MD1 . . 3.780 3.494 3.316 3.715 . 0 0 "[ . 1 . 2]" 1
726 1 37 CYS HG 1 44 LEU MD2 . . 4.430 3.695 3.388 4.114 . 0 0 "[ . 1 . 2]" 1
727 1 38 VAL H 1 38 VAL HB . . 3.470 2.571 2.465 2.657 . 0 0 "[ . 1 . 2]" 1
728 1 38 VAL H 1 38 VAL MG1 . . 4.170 3.765 3.641 3.833 . 0 0 "[ . 1 . 2]" 1
729 1 38 VAL H 1 38 VAL MG2 . . 3.530 3.018 2.895 3.201 . 0 0 "[ . 1 . 2]" 1
730 1 38 VAL H 1 39 LEU H . . 5.220 4.033 3.991 4.080 . 0 0 "[ . 1 . 2]" 1
731 1 38 VAL H 1 44 LEU HA . . 4.910 3.943 3.796 4.173 . 0 0 "[ . 1 . 2]" 1
732 1 38 VAL H 1 44 LEU MD1 . . 3.740 2.440 2.137 2.810 . 0 0 "[ . 1 . 2]" 1
733 1 38 VAL H 1 45 GLY H . . 3.940 2.870 2.401 3.145 . 0 0 "[ . 1 . 2]" 1
734 1 38 VAL H 1 45 GLY HA3 . . 4.280 3.998 3.717 4.299 0.019 5 0 "[ . 1 . 2]" 1
735 1 38 VAL H 1 46 PHE H . . 4.960 4.910 4.778 4.999 0.039 20 0 "[ . 1 . 2]" 1
736 1 38 VAL H 1 46 PHE HA . . 4.720 3.615 3.431 3.931 . 0 0 "[ . 1 . 2]" 1
737 1 38 VAL H 1 46 PHE QD . . 4.510 4.501 4.396 4.562 0.052 14 0 "[ . 1 . 2]" 1
738 1 38 VAL H 1 47 TYR QD . . 4.840 3.723 3.560 4.047 . 0 0 "[ . 1 . 2]" 1
739 1 38 VAL H 1 47 TYR QE . . 3.830 3.892 3.846 3.928 0.098 13 0 "[ . 1 . 2]" 1
740 1 38 VAL HA 1 38 VAL MG1 . . 3.160 2.537 2.474 2.624 . 0 0 "[ . 1 . 2]" 1
741 1 38 VAL HA 1 38 VAL MG2 . . 3.200 2.296 2.192 2.392 . 0 0 "[ . 1 . 2]" 1
742 1 38 VAL HA 1 39 LEU H . . 3.190 2.203 2.200 2.208 . 0 0 "[ . 1 . 2]" 1
743 1 38 VAL HA 1 39 LEU HA . . 4.580 4.390 4.387 4.392 . 0 0 "[ . 1 . 2]" 1
744 1 38 VAL HA 1 44 LEU MD1 . . 4.710 3.918 3.755 4.109 . 0 0 "[ . 1 . 2]" 1
745 1 38 VAL HA 1 108 TRP HH2 . . 4.200 3.129 2.983 3.301 . 0 0 "[ . 1 . 2]" 1
746 1 38 VAL HB 1 45 GLY H . . 4.310 3.104 2.884 3.364 . 0 0 "[ . 1 . 2]" 1
747 1 38 VAL HB 1 45 GLY HA3 . . 4.190 3.098 2.885 3.434 . 0 0 "[ . 1 . 2]" 1
748 1 38 VAL HB 1 46 PHE HA . . 4.770 4.392 4.075 4.668 . 0 0 "[ . 1 . 2]" 1
749 1 38 VAL HB 1 47 TYR QD . . 4.600 2.818 2.544 3.220 . 0 0 "[ . 1 . 2]" 1
750 1 38 VAL HB 1 47 TYR QE . . 2.910 1.981 1.962 2.010 . 0 0 "[ . 1 . 2]" 1
751 1 38 VAL MG1 1 39 LEU H . . 3.490 3.266 3.158 3.350 . 0 0 "[ . 1 . 2]" 1
752 1 38 VAL MG1 1 39 LEU HA . . 4.120 3.831 3.728 3.942 . 0 0 "[ . 1 . 2]" 1
753 1 38 VAL MG1 1 40 ARG H . . 4.510 4.538 4.451 4.605 0.095 10 0 "[ . 1 . 2]" 1
754 1 38 VAL MG1 1 40 ARG HB2 . . 3.680 3.266 2.988 3.643 . 0 0 "[ . 1 . 2]" 1
755 1 38 VAL MG1 1 40 ARG QD . . 3.860 3.253 3.016 3.441 . 0 0 "[ . 1 . 2]" 1
756 1 38 VAL MG1 1 45 GLY H . . 4.200 3.428 2.940 3.737 . 0 0 "[ . 1 . 2]" 1
757 1 38 VAL MG1 1 47 TYR QE . . 3.570 2.867 2.570 3.076 . 0 0 "[ . 1 . 2]" 1
758 1 38 VAL MG2 1 39 LEU H . . 4.270 4.144 4.053 4.199 . 0 0 "[ . 1 . 2]" 1
759 1 38 VAL MG2 1 47 TYR H . . 5.240 3.986 3.724 4.277 . 0 0 "[ . 1 . 2]" 1
760 1 38 VAL MG2 1 47 TYR QD . . 3.360 2.325 2.023 2.606 . 0 0 "[ . 1 . 2]" 1
761 1 38 VAL MG2 1 47 TYR QE . . 3.160 3.028 2.861 3.190 0.030 18 0 "[ . 1 . 2]" 1
762 1 39 LEU H 1 39 LEU HB2 . . 3.740 2.798 2.719 2.854 . 0 0 "[ . 1 . 2]" 1
763 1 39 LEU H 1 39 LEU HB3 . . 3.560 2.449 2.414 2.503 . 0 0 "[ . 1 . 2]" 1
764 1 39 LEU H 1 39 LEU MD1 . . 4.490 4.404 4.344 4.452 . 0 0 "[ . 1 . 2]" 1
765 1 39 LEU H 1 39 LEU HG . . 4.900 4.434 4.413 4.447 . 0 0 "[ . 1 . 2]" 1
766 1 39 LEU H 1 40 ARG H . . 4.990 4.547 4.536 4.565 . 0 0 "[ . 1 . 2]" 1
767 1 39 LEU H 1 44 LEU MD1 . . 4.260 3.464 3.385 3.546 . 0 0 "[ . 1 . 2]" 1
768 1 39 LEU H 1 108 TRP HH2 . . 4.150 2.841 2.715 2.968 . 0 0 "[ . 1 . 2]" 1
769 1 39 LEU H 1 108 TRP HZ3 . . 4.630 3.479 3.157 3.646 . 0 0 "[ . 1 . 2]" 1
770 1 39 LEU HA 1 39 LEU MD1 . . 3.380 2.948 2.837 3.169 . 0 0 "[ . 1 . 2]" 1
771 1 39 LEU HA 1 39 LEU MD2 . . 3.880 3.777 3.697 3.826 . 0 0 "[ . 1 . 2]" 1
772 1 39 LEU HA 1 39 LEU HG . . 3.570 2.557 2.525 2.607 . 0 0 "[ . 1 . 2]" 1
773 1 39 LEU HA 1 40 ARG H . . 2.860 2.255 2.227 2.289 . 0 0 "[ . 1 . 2]" 1
774 1 39 LEU HA 1 43 SER H . . 4.660 3.879 3.550 4.292 . 0 0 "[ . 1 . 2]" 1
775 1 39 LEU HA 1 44 LEU HA . . 3.350 2.247 2.110 2.373 . 0 0 "[ . 1 . 2]" 1
776 1 39 LEU HA 1 44 LEU HB2 . . 4.110 3.880 3.531 4.141 0.031 6 0 "[ . 1 . 2]" 1
777 1 39 LEU HA 1 44 LEU MD1 . . 3.350 2.760 2.660 2.802 . 0 0 "[ . 1 . 2]" 1
778 1 39 LEU HA 1 45 GLY H . . 4.130 3.293 3.163 3.453 . 0 0 "[ . 1 . 2]" 1
779 1 39 LEU HB2 1 39 LEU MD1 . . 3.200 2.150 2.115 2.164 . 0 0 "[ . 1 . 2]" 1
780 1 39 LEU HB2 1 40 ARG H . . 4.620 4.166 4.084 4.247 . 0 0 "[ . 1 . 2]" 1
781 1 39 LEU HB2 1 44 LEU HA . . 4.570 3.481 3.403 3.656 . 0 0 "[ . 1 . 2]" 1
782 1 39 LEU HB2 1 44 LEU MD1 . . 3.290 2.186 2.115 2.259 . 0 0 "[ . 1 . 2]" 1
783 1 39 LEU HB2 1 108 TRP HE3 . . 4.520 4.117 3.873 4.237 . 0 0 "[ . 1 . 2]" 1
784 1 39 LEU HB2 1 108 TRP HH2 . . 4.110 3.505 3.304 3.774 . 0 0 "[ . 1 . 2]" 1
785 1 39 LEU HB2 1 108 TRP HZ3 . . 3.330 2.001 1.971 2.102 . 0 0 "[ . 1 . 2]" 1
786 1 39 LEU HB3 1 39 LEU MD1 . . 3.370 2.980 2.892 3.027 . 0 0 "[ . 1 . 2]" 1
787 1 39 LEU HB3 1 39 LEU MD2 . . 3.160 1.961 1.935 2.065 . 0 0 "[ . 1 . 2]" 1
788 1 39 LEU HB3 1 44 LEU MD1 . . 3.720 3.663 3.573 3.739 0.019 4 0 "[ . 1 . 2]" 1
789 1 39 LEU HB3 1 108 TRP HE3 . . 4.760 4.574 4.221 4.778 0.018 18 0 "[ . 1 . 2]" 1
790 1 39 LEU HB3 1 108 TRP HH2 . . 4.750 3.808 3.582 4.033 . 0 0 "[ . 1 . 2]" 1
791 1 39 LEU HB3 1 108 TRP HZ3 . . 3.760 2.729 2.509 2.944 . 0 0 "[ . 1 . 2]" 1
792 1 39 LEU MD1 1 40 ARG H . . 3.650 3.658 3.587 3.745 0.095 17 0 "[ . 1 . 2]" 1
793 1 39 LEU MD1 1 42 GLY H . . 4.400 4.427 4.376 4.464 0.064 6 0 "[ . 1 . 2]" 1
794 1 39 LEU MD1 1 43 SER H . . 4.090 3.572 3.202 3.981 . 0 0 "[ . 1 . 2]" 1
795 1 39 LEU MD1 1 44 LEU H . . 4.670 4.150 3.380 4.695 0.025 8 0 "[ . 1 . 2]" 1
796 1 39 LEU MD1 1 44 LEU HA . . 4.370 3.161 2.787 3.698 . 0 0 "[ . 1 . 2]" 1
797 1 39 LEU MD1 1 44 LEU HB2 . . 3.050 2.363 2.081 2.600 . 0 0 "[ . 1 . 2]" 1
798 1 39 LEU MD1 1 108 TRP HE3 . . 3.750 3.574 3.299 3.740 . 0 0 "[ . 1 . 2]" 1
799 1 39 LEU MD1 1 108 TRP HZ3 . . 3.600 2.968 2.745 3.100 . 0 0 "[ . 1 . 2]" 1
800 1 39 LEU MD1 1 112 VAL H . . 4.200 3.705 3.214 3.976 . 0 0 "[ . 1 . 2]" 1
801 1 39 LEU MD1 1 112 VAL HA . . 3.090 2.167 1.826 2.427 . 0 0 "[ . 1 . 2]" 1
802 1 39 LEU MD1 1 112 VAL MG2 . . 2.860 2.109 1.911 2.349 . 0 0 "[ . 1 . 2]" 1
803 1 39 LEU MD2 1 40 ARG H . . 3.810 3.640 3.294 3.827 0.017 1 0 "[ . 1 . 2]" 1
804 1 39 LEU MD2 1 40 ARG HA . . 4.160 3.738 3.526 3.950 . 0 0 "[ . 1 . 2]" 1
805 1 39 LEU MD2 1 42 GLY H . . 4.340 3.674 3.393 3.902 . 0 0 "[ . 1 . 2]" 1
806 1 39 LEU MD2 1 108 TRP HE3 . . 4.420 4.234 3.842 4.367 . 0 0 "[ . 1 . 2]" 1
807 1 39 LEU MD2 1 108 TRP HZ3 . . 3.950 3.675 3.442 3.808 . 0 0 "[ . 1 . 2]" 1
808 1 39 LEU MD2 1 111 VAL HA . . 4.690 3.785 3.690 3.877 . 0 0 "[ . 1 . 2]" 1
809 1 39 LEU MD2 1 112 VAL H . . 4.580 3.701 3.475 3.797 . 0 0 "[ . 1 . 2]" 1
810 1 39 LEU MD2 1 112 VAL HA . . 3.400 2.970 2.874 3.060 . 0 0 "[ . 1 . 2]" 1
811 1 39 LEU MD2 1 112 VAL MG2 . . 3.360 3.358 3.003 3.428 0.068 17 0 "[ . 1 . 2]" 1
812 1 39 LEU HG 1 40 ARG H . . 3.820 2.280 2.144 2.420 . 0 0 "[ . 1 . 2]" 1
813 1 39 LEU HG 1 43 SER H . . 4.360 2.962 2.606 3.409 . 0 0 "[ . 1 . 2]" 1
814 1 39 LEU HG 1 44 LEU MD1 . . 4.010 4.057 4.021 4.103 0.093 6 0 "[ . 1 . 2]" 1
815 1 40 ARG H 1 40 ARG HB2 . . 4.120 3.039 2.795 3.247 . 0 0 "[ . 1 . 2]" 1
816 1 40 ARG H 1 40 ARG HB3 . . 4.010 3.279 3.048 3.542 . 0 0 "[ . 1 . 2]" 1
817 1 40 ARG H 1 41 ARG H . . 4.630 4.141 4.070 4.259 . 0 0 "[ . 1 . 2]" 1
818 1 40 ARG H 1 42 GLY H . . 5.110 3.555 3.053 3.939 . 0 0 "[ . 1 . 2]" 1
819 1 40 ARG H 1 43 SER H . . 3.810 2.301 2.071 2.524 . 0 0 "[ . 1 . 2]" 1
820 1 40 ARG H 1 43 SER HA . . 4.810 4.490 4.434 4.632 . 0 0 "[ . 1 . 2]" 1
821 1 40 ARG H 1 43 SER QB . . 4.780 3.962 3.346 4.578 . 0 0 "[ . 1 . 2]" 1
822 1 40 ARG H 1 44 LEU HA . . 4.190 3.860 3.716 3.969 . 0 0 "[ . 1 . 2]" 1
823 1 40 ARG H 1 44 LEU MD1 . . 4.650 4.653 4.576 4.689 0.039 17 0 "[ . 1 . 2]" 1
824 1 40 ARG H 1 45 GLY H . . 4.960 4.765 4.494 4.961 0.001 12 0 "[ . 1 . 2]" 1
825 1 40 ARG HA 1 40 ARG QD . . 4.360 2.763 2.218 3.590 . 0 0 "[ . 1 . 2]" 1
826 1 40 ARG HA 1 40 ARG QG . . 3.520 2.212 2.008 2.454 . 0 0 "[ . 1 . 2]" 1
827 1 40 ARG HA 1 41 ARG H . . 3.210 2.672 2.285 3.123 . 0 0 "[ . 1 . 2]" 1
828 1 40 ARG HA 1 42 GLY H . . 4.870 3.867 3.173 4.612 . 0 0 "[ . 1 . 2]" 1
829 1 40 ARG HB2 1 40 ARG QD . . 3.640 2.236 2.167 2.336 . 0 0 "[ . 1 . 2]" 1
830 1 40 ARG HB2 1 40 ARG QG . . 2.480 2.531 2.474 2.571 0.091 1 0 "[ . 1 . 2]" 1
831 1 40 ARG HB2 1 41 ARG H . . 4.380 3.905 3.334 4.432 0.052 19 0 "[ . 1 . 2]" 1
832 1 40 ARG HB3 1 40 ARG QD . . 3.660 3.155 2.797 3.302 . 0 0 "[ . 1 . 2]" 1
833 1 40 ARG HB3 1 40 ARG QG . . 2.670 2.190 2.179 2.232 . 0 0 "[ . 1 . 2]" 1
834 1 40 ARG HB3 1 41 ARG H . . 4.010 2.823 1.904 3.685 . 0 0 "[ . 1 . 2]" 1
835 1 40 ARG HB3 1 43 SER H . . 4.700 4.384 3.819 4.708 0.008 16 0 "[ . 1 . 2]" 1
836 1 40 ARG QG 1 41 ARG H . . 4.080 2.298 1.907 2.824 . 0 0 "[ . 1 . 2]" 1
837 1 41 ARG H 1 41 ARG HB2 . . 3.780 2.712 2.037 3.242 . 0 0 "[ . 1 . 2]" 1
838 1 41 ARG H 1 41 ARG HG2 . . 4.490 3.964 2.015 4.831 0.341 7 0 "[ . 1 . 2]" 1
839 1 41 ARG H 1 42 GLY H . . 3.800 3.263 2.619 3.937 0.137 5 0 "[ . 1 . 2]" 1
840 1 41 ARG H 1 43 SER H . . 4.840 4.538 3.996 4.781 . 0 0 "[ . 1 . 2]" 1
841 1 41 ARG HA 1 41 ARG HB2 . . 2.990 2.893 2.623 3.062 0.072 10 0 "[ . 1 . 2]" 1
842 1 41 ARG HA 1 41 ARG QD . . 4.050 3.567 1.978 4.050 . 0 0 "[ . 1 . 2]" 1
843 1 41 ARG HA 1 41 ARG HG2 . . 3.430 2.592 2.111 3.565 0.135 7 0 "[ . 1 . 2]" 1
844 1 41 ARG HA 1 42 GLY H . . 3.350 2.802 2.465 3.228 . 0 0 "[ . 1 . 2]" 1
845 1 41 ARG HA 1 42 GLY HA3 . . 4.630 4.405 4.363 4.482 . 0 0 "[ . 1 . 2]" 1
846 1 41 ARG HB2 1 42 GLY H . . 4.800 4.441 4.103 4.738 . 0 0 "[ . 1 . 2]" 1
847 1 41 ARG HB3 1 41 ARG QD . . 3.780 2.473 2.087 3.365 . 0 0 "[ . 1 . 2]" 1
848 1 41 ARG HB3 1 41 ARG HG2 . . 2.640 2.611 2.266 3.053 0.413 10 0 "[ . 1 . 2]" 1
849 1 41 ARG HB3 1 42 GLY H . . 4.510 4.244 3.928 4.459 . 0 0 "[ . 1 . 2]" 1
850 1 42 GLY H 1 43 SER H . . 3.660 2.572 2.282 2.719 . 0 0 "[ . 1 . 2]" 1
851 1 42 GLY H 1 115 ALA MB . . 4.190 3.060 2.442 3.534 . 0 0 "[ . 1 . 2]" 1
852 1 42 GLY HA2 1 67 LEU HB2 . . 4.680 3.764 2.332 4.457 . 0 0 "[ . 1 . 2]" 1
853 1 42 GLY HA2 1 67 LEU MD1 . . 4.500 2.972 2.749 3.158 . 0 0 "[ . 1 . 2]" 1
854 1 42 GLY HA2 1 115 ALA MB . . 3.940 1.917 1.850 1.972 . 0 0 "[ . 1 . 2]" 1
855 1 42 GLY HA3 1 67 LEU HB2 . . 4.660 4.384 3.401 4.662 0.002 18 0 "[ . 1 . 2]" 1
856 1 42 GLY HA3 1 67 LEU MD1 . . 4.250 4.142 3.917 4.349 0.099 8 0 "[ . 1 . 2]" 1
857 1 42 GLY HA3 1 115 ALA MB . . 3.640 3.266 2.907 3.584 . 0 0 "[ . 1 . 2]" 1
858 1 43 SER H 1 43 SER QB . . 3.290 3.134 2.701 3.308 0.018 20 0 "[ . 1 . 2]" 1
859 1 43 SER H 1 44 LEU H . . 5.020 4.264 4.016 4.493 . 0 0 "[ . 1 . 2]" 1
860 1 43 SER H 1 67 LEU MD1 . . 4.920 3.138 2.639 3.724 . 0 0 "[ . 1 . 2]" 1
861 1 43 SER HA 1 44 LEU H . . 2.860 2.358 2.221 2.547 . 0 0 "[ . 1 . 2]" 1
862 1 43 SER HA 1 65 VAL MG2 . . 4.730 4.463 4.264 4.685 . 0 0 "[ . 1 . 2]" 1
863 1 43 SER HA 1 66 SER HA . . 3.320 2.919 2.732 3.325 0.005 18 0 "[ . 1 . 2]" 1
864 1 43 SER HA 1 67 LEU H . . 3.620 2.994 2.843 3.255 . 0 0 "[ . 1 . 2]" 1
865 1 43 SER HA 1 67 LEU HB2 . . 4.690 4.232 3.599 4.511 . 0 0 "[ . 1 . 2]" 1
866 1 43 SER HA 1 67 LEU MD1 . . 3.860 3.121 2.942 3.404 . 0 0 "[ . 1 . 2]" 1
867 1 43 SER HA 1 67 LEU MD2 . . 4.340 4.360 4.286 4.391 0.051 15 0 "[ . 1 . 2]" 1
868 1 43 SER HA 1 67 LEU HG . . 3.630 2.917 2.794 2.985 . 0 0 "[ . 1 . 2]" 1
869 1 43 SER QB 1 44 LEU H . . 3.330 2.880 2.345 3.321 . 0 0 "[ . 1 . 2]" 1
870 1 43 SER QB 1 64 PRO HB2 . . 3.510 2.238 1.935 2.796 . 0 0 "[ . 1 . 2]" 1
871 1 43 SER QB 1 64 PRO HB3 . . 3.740 3.382 3.076 3.728 . 0 0 "[ . 1 . 2]" 1
872 1 43 SER QB 1 65 VAL H . . 4.400 4.433 4.383 4.476 0.076 17 0 "[ . 1 . 2]" 1
873 1 43 SER QB 1 66 SER HA . . 3.950 3.556 3.143 3.932 . 0 0 "[ . 1 . 2]" 1
874 1 43 SER QB 1 67 LEU H . . 4.590 4.434 4.061 4.619 0.029 17 0 "[ . 1 . 2]" 1
875 1 43 SER QB 1 67 LEU MD1 . . 4.460 4.431 4.347 4.514 0.054 10 0 "[ . 1 . 2]" 1
876 1 44 LEU H 1 44 LEU HB2 . . 3.730 2.989 2.624 3.420 . 0 0 "[ . 1 . 2]" 1
877 1 44 LEU H 1 44 LEU HB3 . . 3.500 2.612 2.387 2.879 . 0 0 "[ . 1 . 2]" 1
878 1 44 LEU H 1 44 LEU MD1 . . 4.630 4.254 4.064 4.454 . 0 0 "[ . 1 . 2]" 1
879 1 44 LEU H 1 44 LEU MD2 . . 4.600 4.404 4.231 4.632 0.032 15 0 "[ . 1 . 2]" 1
880 1 44 LEU H 1 64 PRO HB2 . . 4.790 3.277 2.537 3.846 . 0 0 "[ . 1 . 2]" 1
881 1 44 LEU H 1 64 PRO HB3 . . 4.950 4.109 3.358 4.682 . 0 0 "[ . 1 . 2]" 1
882 1 44 LEU H 1 65 VAL H . . 3.870 3.124 2.706 3.520 . 0 0 "[ . 1 . 2]" 1
883 1 44 LEU H 1 65 VAL MG2 . . 3.560 2.941 2.586 3.283 . 0 0 "[ . 1 . 2]" 1
884 1 44 LEU H 1 66 SER HA . . 4.370 4.016 3.768 4.213 . 0 0 "[ . 1 . 2]" 1
885 1 44 LEU H 1 67 LEU H . . 5.090 4.415 3.921 5.012 . 0 0 "[ . 1 . 2]" 1
886 1 44 LEU H 1 67 LEU MD1 . . 4.350 3.304 2.601 4.225 . 0 0 "[ . 1 . 2]" 1
887 1 44 LEU H 1 67 LEU MD2 . . 4.550 3.759 3.206 4.499 . 0 0 "[ . 1 . 2]" 1
888 1 44 LEU H 1 67 LEU HG . . 4.360 3.158 2.505 4.110 . 0 0 "[ . 1 . 2]" 1
889 1 44 LEU HA 1 44 LEU MD1 . . 3.070 2.071 1.950 2.307 . 0 0 "[ . 1 . 2]" 1
890 1 44 LEU HA 1 44 LEU MD2 . . 4.330 3.899 3.842 3.963 . 0 0 "[ . 1 . 2]" 1
891 1 44 LEU HA 1 44 LEU HG . . 3.960 3.099 3.034 3.168 . 0 0 "[ . 1 . 2]" 1
892 1 44 LEU HA 1 45 GLY H . . 3.080 2.196 2.178 2.224 . 0 0 "[ . 1 . 2]" 1
893 1 44 LEU HA 1 67 LEU MD1 . . 4.790 3.650 3.139 4.217 . 0 0 "[ . 1 . 2]" 1
894 1 44 LEU HB2 1 44 LEU MD1 . . 3.110 2.333 2.215 2.395 . 0 0 "[ . 1 . 2]" 1
895 1 44 LEU HB2 1 44 LEU MD2 . . 3.430 2.451 2.291 2.590 . 0 0 "[ . 1 . 2]" 1
896 1 44 LEU HB2 1 45 GLY H . . 4.710 4.473 4.375 4.535 . 0 0 "[ . 1 . 2]" 1
897 1 44 LEU HB2 1 65 VAL H . . 5.000 4.857 4.595 5.016 0.016 19 0 "[ . 1 . 2]" 1
898 1 44 LEU HB2 1 65 VAL MG2 . . 3.520 3.290 3.094 3.438 . 0 0 "[ . 1 . 2]" 1
899 1 44 LEU HB3 1 44 LEU MD1 . . 3.520 3.201 3.183 3.207 . 0 0 "[ . 1 . 2]" 1
900 1 44 LEU HB3 1 44 LEU MD2 . . 3.160 2.221 2.068 2.422 . 0 0 "[ . 1 . 2]" 1
901 1 44 LEU HB3 1 45 GLY H . . 4.870 4.476 4.281 4.569 . 0 0 "[ . 1 . 2]" 1
902 1 44 LEU HB3 1 65 VAL MG2 . . 3.030 1.896 1.781 1.982 . 0 0 "[ . 1 . 2]" 1
903 1 44 LEU HB3 1 67 LEU MD1 . . 4.150 3.489 2.999 3.909 . 0 0 "[ . 1 . 2]" 1
904 1 44 LEU HB3 1 67 LEU MD2 . . 3.460 2.660 2.461 2.966 . 0 0 "[ . 1 . 2]" 1
905 1 44 LEU MD1 1 45 GLY H . . 3.410 3.130 2.717 3.435 0.025 14 0 "[ . 1 . 2]" 1
906 1 44 LEU MD1 1 46 PHE QD . . 4.810 4.420 4.270 4.516 . 0 0 "[ . 1 . 2]" 1
907 1 44 LEU MD1 1 46 PHE QE . . 3.970 4.024 3.980 4.065 0.095 7 0 "[ . 1 . 2]" 1
908 1 44 LEU MD1 1 65 VAL MG2 . . 4.320 4.053 3.812 4.266 . 0 0 "[ . 1 . 2]" 1
909 1 44 LEU MD1 1 87 LEU MD2 . . 4.270 3.749 3.350 4.192 . 0 0 "[ . 1 . 2]" 1
910 1 44 LEU MD1 1 108 TRP HE3 . . 4.570 3.956 3.675 4.185 . 0 0 "[ . 1 . 2]" 1
911 1 44 LEU MD1 1 108 TRP HH2 . . 4.110 3.130 2.890 3.326 . 0 0 "[ . 1 . 2]" 1
912 1 44 LEU MD1 1 108 TRP HZ2 . . 4.900 4.742 4.475 4.920 0.020 17 0 "[ . 1 . 2]" 1
913 1 44 LEU MD1 1 108 TRP HZ3 . . 3.300 2.586 2.387 2.751 . 0 0 "[ . 1 . 2]" 1
914 1 44 LEU MD2 1 46 PHE QD . . 4.450 4.340 3.898 4.461 0.011 8 0 "[ . 1 . 2]" 1
915 1 44 LEU MD2 1 46 PHE QE . . 3.540 2.659 2.166 2.903 . 0 0 "[ . 1 . 2]" 1
916 1 44 LEU MD2 1 46 PHE HZ . . 3.370 3.040 2.671 3.378 0.008 2 0 "[ . 1 . 2]" 1
917 1 44 LEU MD2 1 65 VAL MG2 . . 3.460 2.571 2.057 2.981 . 0 0 "[ . 1 . 2]" 1
918 1 44 LEU MD2 1 67 LEU MD1 . . 3.940 3.641 3.471 3.872 . 0 0 "[ . 1 . 2]" 1
919 1 44 LEU MD2 1 67 LEU MD2 . . 3.650 2.608 2.350 2.950 . 0 0 "[ . 1 . 2]" 1
920 1 44 LEU MD2 1 87 LEU MD1 . . 4.150 3.692 3.304 4.107 . 0 0 "[ . 1 . 2]" 1
921 1 44 LEU MD2 1 87 LEU MD2 . . 3.030 1.966 1.810 2.313 . 0 0 "[ . 1 . 2]" 1
922 1 44 LEU MD2 1 97 PHE QE . . 3.810 2.918 2.792 3.140 . 0 0 "[ . 1 . 2]" 1
923 1 44 LEU MD2 1 97 PHE HZ . . 3.430 2.350 2.140 2.557 . 0 0 "[ . 1 . 2]" 1
924 1 44 LEU HG 1 46 PHE QE . . 4.000 3.269 2.969 3.546 . 0 0 "[ . 1 . 2]" 1
925 1 44 LEU HG 1 46 PHE HZ . . 4.130 3.901 3.699 4.101 . 0 0 "[ . 1 . 2]" 1
926 1 44 LEU HG 1 65 VAL MG2 . . 3.750 3.102 2.832 3.413 . 0 0 "[ . 1 . 2]" 1
927 1 44 LEU HG 1 97 PHE HZ . . 4.790 4.137 3.857 4.403 . 0 0 "[ . 1 . 2]" 1
928 1 45 GLY H 1 46 PHE H . . 4.920 4.567 4.399 4.590 . 0 0 "[ . 1 . 2]" 1
929 1 45 GLY H 1 47 TYR QE . . 4.250 3.532 3.375 3.747 . 0 0 "[ . 1 . 2]" 1
930 1 45 GLY H 1 64 PRO HB3 . . 4.660 3.489 3.305 3.889 . 0 0 "[ . 1 . 2]" 1
931 1 45 GLY HA2 1 46 PHE H . . 3.310 2.325 2.207 2.393 . 0 0 "[ . 1 . 2]" 1
932 1 45 GLY HA2 1 47 TYR QE . . 3.750 3.558 3.452 3.761 0.011 19 0 "[ . 1 . 2]" 1
933 1 45 GLY HA2 1 64 PRO HA . . 3.630 2.088 1.994 2.255 . 0 0 "[ . 1 . 2]" 1
934 1 45 GLY HA2 1 64 PRO HB2 . . 4.550 3.694 3.367 3.866 . 0 0 "[ . 1 . 2]" 1
935 1 45 GLY HA2 1 64 PRO HB3 . . 3.770 2.374 2.025 2.617 . 0 0 "[ . 1 . 2]" 1
936 1 45 GLY HA2 1 65 VAL H . . 4.600 3.481 3.372 3.660 . 0 0 "[ . 1 . 2]" 1
937 1 45 GLY HA3 1 46 PHE H . . 3.480 2.983 2.877 3.242 . 0 0 "[ . 1 . 2]" 1
938 1 45 GLY HA3 1 47 TYR QE . . 3.450 2.059 1.991 2.264 . 0 0 "[ . 1 . 2]" 1
939 1 45 GLY HA3 1 64 PRO HA . . 3.780 3.555 3.354 3.787 0.007 18 0 "[ . 1 . 2]" 1
940 1 45 GLY HA3 1 64 PRO HB2 . . 4.620 4.234 4.053 4.353 . 0 0 "[ . 1 . 2]" 1
941 1 45 GLY HA3 1 64 PRO HB3 . . 3.730 2.582 2.395 2.677 . 0 0 "[ . 1 . 2]" 1
942 1 45 GLY HA3 1 64 PRO HG3 . . 4.180 4.167 3.940 4.220 0.040 17 0 "[ . 1 . 2]" 1
943 1 45 GLY HA3 1 65 VAL H . . 5.220 4.961 4.809 5.174 . 0 0 "[ . 1 . 2]" 1
944 1 46 PHE H 1 46 PHE HB2 . . 3.720 2.452 2.383 2.537 . 0 0 "[ . 1 . 2]" 1
945 1 46 PHE H 1 46 PHE HB3 . . 3.990 3.615 3.527 3.677 . 0 0 "[ . 1 . 2]" 1
946 1 46 PHE H 1 46 PHE QD . . 3.900 3.045 2.731 3.309 . 0 0 "[ . 1 . 2]" 1
947 1 46 PHE H 1 47 TYR QE . . 4.990 3.560 3.306 4.093 . 0 0 "[ . 1 . 2]" 1
948 1 46 PHE H 1 62 GLU HB2 . . 5.170 4.908 4.279 5.175 0.005 16 0 "[ . 1 . 2]" 1
949 1 46 PHE H 1 64 PRO HA . . 4.520 3.671 3.304 3.896 . 0 0 "[ . 1 . 2]" 1
950 1 46 PHE HA 1 46 PHE QD . . 3.300 2.508 2.304 2.731 . 0 0 "[ . 1 . 2]" 1
951 1 46 PHE HA 1 46 PHE QE . . 4.730 4.613 4.525 4.707 . 0 0 "[ . 1 . 2]" 1
952 1 46 PHE HA 1 47 TYR H . . 3.100 2.254 2.204 2.295 . 0 0 "[ . 1 . 2]" 1
953 1 46 PHE HB2 1 47 TYR H . . 4.910 4.093 3.980 4.273 . 0 0 "[ . 1 . 2]" 1
954 1 46 PHE HB2 1 59 TYR H . . 4.690 4.360 3.831 4.590 . 0 0 "[ . 1 . 2]" 1
955 1 46 PHE HB2 1 59 TYR HB3 . . 4.100 3.753 3.074 3.984 . 0 0 "[ . 1 . 2]" 1
956 1 46 PHE HB2 1 59 TYR QD . . 4.760 4.613 4.409 4.789 0.029 12 0 "[ . 1 . 2]" 1
957 1 46 PHE HB3 1 47 TYR H . . 4.210 3.179 3.023 3.451 . 0 0 "[ . 1 . 2]" 1
958 1 46 PHE HB3 1 59 TYR H . . 4.910 4.801 4.307 4.937 0.027 15 0 "[ . 1 . 2]" 1
959 1 46 PHE HB3 1 59 TYR HB3 . . 4.140 3.879 3.249 4.184 0.044 10 0 "[ . 1 . 2]" 1
960 1 46 PHE HB3 1 59 TYR QD . . 4.670 4.140 3.489 4.402 . 0 0 "[ . 1 . 2]" 1
961 1 46 PHE QD 1 47 TYR H . . 4.190 4.046 3.935 4.137 . 0 0 "[ . 1 . 2]" 1
962 1 46 PHE QD 1 62 GLU HB2 . . 3.960 3.769 3.310 3.965 0.005 14 0 "[ . 1 . 2]" 1
963 1 46 PHE QD 1 62 GLU HB3 . . 4.060 3.080 2.849 3.386 . 0 0 "[ . 1 . 2]" 1
964 1 46 PHE QD 1 65 VAL MG1 . . 4.320 3.619 3.513 3.832 . 0 0 "[ . 1 . 2]" 1
965 1 46 PHE QD 1 65 VAL MG2 . . 4.600 4.244 3.971 4.482 . 0 0 "[ . 1 . 2]" 1
966 1 46 PHE QD 1 97 PHE QE . . 3.980 3.183 3.088 3.298 . 0 0 "[ . 1 . 2]" 1
967 1 46 PHE QD 1 97 PHE HZ . . 4.450 4.356 4.330 4.389 . 0 0 "[ . 1 . 2]" 1
968 1 46 PHE QE 1 62 GLU HB3 . . 4.690 4.720 4.685 4.761 0.071 17 0 "[ . 1 . 2]" 1
969 1 46 PHE QE 1 65 VAL H . . 4.910 3.939 3.574 4.279 . 0 0 "[ . 1 . 2]" 1
970 1 46 PHE QE 1 65 VAL HB . . 4.490 4.537 4.470 4.596 0.106 14 0 "[ . 1 . 2]" 1
971 1 46 PHE QE 1 65 VAL MG1 . . 3.500 1.959 1.881 2.160 . 0 0 "[ . 1 . 2]" 1
972 1 46 PHE QE 1 65 VAL MG2 . . 3.650 2.856 2.515 3.152 . 0 0 "[ . 1 . 2]" 1
973 1 46 PHE QE 1 97 PHE QE . . 3.280 2.064 1.990 2.181 . 0 0 "[ . 1 . 2]" 1
974 1 46 PHE QE 1 97 PHE HZ . . 3.270 1.976 1.958 2.004 . 0 0 "[ . 1 . 2]" 1
975 1 46 PHE HZ 1 65 VAL MG1 . . 4.100 3.070 2.707 3.385 . 0 0 "[ . 1 . 2]" 1
976 1 46 PHE HZ 1 65 VAL MG2 . . 3.600 2.584 2.335 2.866 . 0 0 "[ . 1 . 2]" 1
977 1 46 PHE HZ 1 87 LEU MD2 . . 4.410 4.078 3.797 4.276 . 0 0 "[ . 1 . 2]" 1
978 1 46 PHE HZ 1 97 PHE QE . . 4.260 3.952 3.804 4.114 . 0 0 "[ . 1 . 2]" 1
979 1 47 TYR H 1 47 TYR HB2 . . 3.760 2.675 2.560 2.749 . 0 0 "[ . 1 . 2]" 1
980 1 47 TYR H 1 47 TYR QD . . 3.840 2.608 2.442 2.749 . 0 0 "[ . 1 . 2]" 1
981 1 47 TYR H 1 59 TYR HB3 . . 5.220 4.971 4.717 5.383 0.163 1 0 "[ . 1 . 2]" 1
982 1 47 TYR HA 1 47 TYR QD . . 4.430 3.240 3.196 3.273 . 0 0 "[ . 1 . 2]" 1
983 1 47 TYR HA 1 48 LYS H . . 3.630 2.411 2.287 2.507 . 0 0 "[ . 1 . 2]" 1
984 1 47 TYR HA 1 52 ALA MB . . 4.160 3.766 3.566 3.967 . 0 0 "[ . 1 . 2]" 1
985 1 47 TYR HA 1 58 PRO HA . . 4.100 3.136 2.905 3.247 . 0 0 "[ . 1 . 2]" 1
986 1 47 TYR HA 1 59 TYR H . . 3.560 1.962 1.913 2.196 . 0 0 "[ . 1 . 2]" 1
987 1 47 TYR HA 1 59 TYR HA . . 4.240 3.518 3.302 3.739 . 0 0 "[ . 1 . 2]" 1
988 1 47 TYR HA 1 59 TYR HB3 . . 3.720 3.611 3.314 4.261 0.541 12 1 "[ . 1 + . 2]" 1
989 1 47 TYR HA 1 59 TYR QD . . 4.250 3.958 3.053 4.298 0.048 17 0 "[ . 1 . 2]" 1
990 1 47 TYR HB2 1 48 LYS H . . 4.420 3.778 3.606 4.073 . 0 0 "[ . 1 . 2]" 1
991 1 47 TYR HB2 1 49 ASP H . . 4.110 3.977 3.688 4.138 0.028 11 0 "[ . 1 . 2]" 1
992 1 47 TYR HB2 1 52 ALA MB . . 3.590 3.573 3.374 3.627 0.037 10 0 "[ . 1 . 2]" 1
993 1 47 TYR HB2 1 53 ALA H . . 4.560 4.028 3.275 4.390 . 0 0 "[ . 1 . 2]" 1
994 1 47 TYR HB2 1 53 ALA HA . . 3.940 3.894 3.794 3.955 0.015 4 0 "[ . 1 . 2]" 1
995 1 47 TYR HB2 1 53 ALA MB . . 3.930 3.035 2.486 3.386 . 0 0 "[ . 1 . 2]" 1
996 1 47 TYR HB3 1 48 LYS H . . 4.180 2.698 2.461 3.037 . 0 0 "[ . 1 . 2]" 1
997 1 47 TYR HB3 1 49 ASP H . . 3.940 3.383 3.167 3.594 . 0 0 "[ . 1 . 2]" 1
998 1 47 TYR HB3 1 52 ALA MB . . 3.230 2.204 1.989 2.381 . 0 0 "[ . 1 . 2]" 1
999 1 47 TYR HB3 1 53 ALA H . . 4.220 3.481 2.617 3.967 . 0 0 "[ . 1 . 2]" 1
1000 1 47 TYR HB3 1 53 ALA HA . . 3.930 3.355 3.114 3.495 . 0 0 "[ . 1 . 2]" 1
1001 1 47 TYR HB3 1 53 ALA MB . . 3.820 3.424 2.895 3.763 . 0 0 "[ . 1 . 2]" 1
1002 1 47 TYR QD 1 52 ALA MB . . 3.830 3.169 2.842 3.535 . 0 0 "[ . 1 . 2]" 1
1003 1 47 TYR QD 1 53 ALA HA . . 3.760 2.545 2.222 2.842 . 0 0 "[ . 1 . 2]" 1
1004 1 47 TYR QD 1 53 ALA MB . . 3.660 3.397 2.939 3.670 0.010 12 0 "[ . 1 . 2]" 1
1005 1 47 TYR QD 1 57 VAL H . . 4.420 3.196 2.694 3.442 . 0 0 "[ . 1 . 2]" 1
1006 1 47 TYR QD 1 58 PRO HA . . 3.950 3.137 3.025 3.362 . 0 0 "[ . 1 . 2]" 1
1007 1 47 TYR QD 1 59 TYR H . . 4.650 4.085 4.001 4.232 . 0 0 "[ . 1 . 2]" 1
1008 1 47 TYR QE 1 53 ALA HA . . 3.730 3.399 3.103 3.688 . 0 0 "[ . 1 . 2]" 1
1009 1 47 TYR QE 1 53 ALA MB . . 4.310 4.096 3.742 4.335 0.025 3 0 "[ . 1 . 2]" 1
1010 1 47 TYR QE 1 56 GLY H . . 4.890 4.548 4.276 4.822 . 0 0 "[ . 1 . 2]" 1
1011 1 47 TYR QE 1 56 GLY HA2 . . 3.570 2.790 2.473 2.942 . 0 0 "[ . 1 . 2]" 1
1012 1 47 TYR QE 1 56 GLY HA3 . . 4.280 4.231 3.944 4.318 0.038 13 0 "[ . 1 . 2]" 1
1013 1 47 TYR QE 1 57 VAL H . . 4.030 3.979 3.569 4.087 0.057 7 0 "[ . 1 . 2]" 1
1014 1 47 TYR QE 1 58 PRO HA . . 3.770 3.820 3.777 3.864 0.094 13 0 "[ . 1 . 2]" 1
1015 1 47 TYR QE 1 58 PRO HB3 . . 4.360 4.285 3.969 4.389 0.029 7 0 "[ . 1 . 2]" 1
1016 1 48 LYS H 1 48 LYS HB2 . . 3.440 2.419 2.261 2.567 . 0 0 "[ . 1 . 2]" 1
1017 1 48 LYS H 1 48 LYS HB3 . . 3.630 2.514 2.363 2.715 . 0 0 "[ . 1 . 2]" 1
1018 1 48 LYS H 1 48 LYS HG2 . . 4.740 4.534 4.421 4.622 . 0 0 "[ . 1 . 2]" 1
1019 1 48 LYS H 1 48 LYS HG3 . . 4.640 4.350 4.301 4.412 . 0 0 "[ . 1 . 2]" 1
1020 1 48 LYS H 1 49 ASP H . . 4.030 3.026 2.786 3.210 . 0 0 "[ . 1 . 2]" 1
1021 1 48 LYS H 1 52 ALA MB . . 3.440 2.451 2.108 2.654 . 0 0 "[ . 1 . 2]" 1
1022 1 48 LYS H 1 59 TYR H . . 4.830 3.436 3.132 3.937 . 0 0 "[ . 1 . 2]" 1
1023 1 48 LYS H 1 59 TYR HA . . 4.420 2.960 2.493 3.819 . 0 0 "[ . 1 . 2]" 1
1024 1 48 LYS H 1 59 TYR HB3 . . 4.450 4.676 4.121 5.440 0.990 20 5 "[ . ** * .- +]" 1
1025 1 48 LYS H 1 59 TYR QD . . 3.850 3.094 2.577 3.559 . 0 0 "[ . 1 . 2]" 1
1026 1 48 LYS HA 1 48 LYS HD2 . . 4.060 3.671 2.241 4.420 0.360 18 0 "[ . 1 . 2]" 1
1027 1 48 LYS HA 1 48 LYS HD3 . . 4.770 3.443 2.784 4.011 . 0 0 "[ . 1 . 2]" 1
1028 1 48 LYS HA 1 48 LYS HG2 . . 3.860 3.619 3.355 3.803 . 0 0 "[ . 1 . 2]" 1
1029 1 48 LYS HA 1 48 LYS HG3 . . 3.510 2.481 2.289 2.842 . 0 0 "[ . 1 . 2]" 1
1030 1 48 LYS HA 1 59 TYR HA . . 4.690 3.952 3.573 4.697 0.007 20 0 "[ . 1 . 2]" 1
1031 1 48 LYS HA 1 59 TYR QD . . 3.050 2.236 1.990 2.782 . 0 0 "[ . 1 . 2]" 1
1032 1 48 LYS HA 1 59 TYR QE . . 3.660 3.047 2.039 3.562 . 0 0 "[ . 1 . 2]" 1
1033 1 48 LYS HB2 1 48 LYS HD2 . . 3.680 3.283 2.731 3.503 . 0 0 "[ . 1 . 2]" 1
1034 1 48 LYS HB2 1 49 ASP H . . 4.140 3.748 3.635 3.856 . 0 0 "[ . 1 . 2]" 1
1035 1 48 LYS HB2 1 59 TYR QD . . 3.450 2.459 2.025 3.385 . 0 0 "[ . 1 . 2]" 1
1036 1 48 LYS HB2 1 59 TYR QE . . 4.050 3.849 3.649 4.053 0.003 4 0 "[ . 1 . 2]" 1
1037 1 48 LYS HB3 1 48 LYS HG2 . . 3.010 2.293 2.265 2.375 . 0 0 "[ . 1 . 2]" 1
1038 1 48 LYS HB3 1 49 ASP H . . 4.310 2.302 2.175 2.457 . 0 0 "[ . 1 . 2]" 1
1039 1 48 LYS HB3 1 52 ALA MB . . 3.300 1.986 1.878 2.171 . 0 0 "[ . 1 . 2]" 1
1040 1 48 LYS HB3 1 59 TYR QD . . 4.580 3.934 3.621 4.639 0.059 18 0 "[ . 1 . 2]" 1
1041 1 48 LYS HD2 1 59 TYR QD . . 4.440 3.950 2.611 4.992 0.552 12 3 "[ . 1 + . * -]" 1
1042 1 48 LYS HD2 1 59 TYR QE . . 4.120 2.977 1.984 3.858 . 0 0 "[ . 1 . 2]" 1
1043 1 48 LYS HD3 1 48 LYS HG3 . . 2.920 2.818 2.647 3.056 0.136 14 0 "[ . 1 . 2]" 1
1044 1 48 LYS HD3 1 59 TYR QE . . 3.910 3.101 2.057 3.793 . 0 0 "[ . 1 . 2]" 1
1045 1 48 LYS QE 1 48 LYS HG2 . . 3.390 2.158 1.976 2.435 . 0 0 "[ . 1 . 2]" 1
1046 1 48 LYS QE 1 48 LYS HG3 . . 3.470 3.075 2.394 3.409 . 0 0 "[ . 1 . 2]" 1
1047 1 48 LYS HG2 1 49 ASP H . . 4.880 3.619 3.300 4.106 . 0 0 "[ . 1 . 2]" 1
1048 1 48 LYS HG2 1 49 ASP HB2 . . 4.470 4.428 3.634 5.134 0.664 9 2 "[ . +1 . -]" 1
1049 1 48 LYS HG2 1 52 ALA MB . . 3.690 3.521 3.138 3.708 0.018 19 0 "[ . 1 . 2]" 1
1050 1 48 LYS HG2 1 59 TYR QE . . 4.950 4.829 4.536 4.970 0.020 17 0 "[ . 1 . 2]" 1
1051 1 48 LYS HG3 1 49 ASP H . . 4.690 3.848 3.419 4.324 . 0 0 "[ . 1 . 2]" 1
1052 1 48 LYS HG3 1 52 ALA MB . . 4.340 4.286 4.082 4.432 0.092 5 0 "[ . 1 . 2]" 1
1053 1 48 LYS HG3 1 59 TYR QD . . 4.270 3.911 3.461 4.316 0.046 5 0 "[ . 1 . 2]" 1
1054 1 48 LYS HG3 1 59 TYR QE . . 4.470 3.619 2.898 4.408 . 0 0 "[ . 1 . 2]" 1
1055 1 49 ASP H 1 50 ALA H . . 5.120 4.343 4.326 4.370 . 0 0 "[ . 1 . 2]" 1
1056 1 49 ASP H 1 52 ALA H . . 4.230 2.656 2.562 2.737 . 0 0 "[ . 1 . 2]" 1
1057 1 49 ASP H 1 52 ALA MB . . 2.860 1.988 1.762 2.257 . 0 0 "[ . 1 . 2]" 1
1058 1 49 ASP H 1 53 ALA H . . 4.980 3.748 3.245 4.081 . 0 0 "[ . 1 . 2]" 1
1059 1 49 ASP HA 1 50 ALA H . . 3.290 2.760 2.703 2.799 . 0 0 "[ . 1 . 2]" 1
1060 1 49 ASP HA 1 50 ALA HA . . 4.490 4.364 4.357 4.371 . 0 0 "[ . 1 . 2]" 1
1061 1 49 ASP HA 1 50 ALA MB . . 4.440 4.296 4.246 4.344 . 0 0 "[ . 1 . 2]" 1
1062 1 49 ASP HA 1 51 LYS H . . 5.020 4.102 4.043 4.283 . 0 0 "[ . 1 . 2]" 1
1063 1 49 ASP HB2 1 50 ALA H . . 3.520 2.556 1.945 3.320 . 0 0 "[ . 1 . 2]" 1
1064 1 49 ASP HB2 1 50 ALA MB . . 4.530 3.932 3.364 4.608 0.078 14 0 "[ . 1 . 2]" 1
1065 1 49 ASP HB2 1 51 LYS H . . 4.420 2.196 1.931 2.542 . 0 0 "[ . 1 . 2]" 1
1066 1 49 ASP HB2 1 51 LYS QB . . 4.910 2.986 2.586 3.549 . 0 0 "[ . 1 . 2]" 1
1067 1 49 ASP HB2 1 52 ALA MB . . 4.580 4.058 3.649 4.329 . 0 0 "[ . 1 . 2]" 1
1068 1 49 ASP HB3 1 50 ALA H . . 3.120 2.547 1.924 3.135 0.015 18 0 "[ . 1 . 2]" 1
1069 1 49 ASP HB3 1 50 ALA MB . . 4.420 4.078 3.432 4.584 0.164 9 0 "[ . 1 . 2]" 1
1070 1 49 ASP HB3 1 51 LYS H . . 4.220 3.347 2.533 3.987 . 0 0 "[ . 1 . 2]" 1
1071 1 49 ASP HB3 1 51 LYS QB . . 4.630 4.238 3.506 4.762 0.132 9 0 "[ . 1 . 2]" 1
1072 1 49 ASP HB3 1 52 ALA H . . 4.750 4.590 4.134 4.862 0.112 9 0 "[ . 1 . 2]" 1
1073 1 50 ALA H 1 50 ALA MB . . 2.830 2.044 1.933 2.154 . 0 0 "[ . 1 . 2]" 1
1074 1 50 ALA H 1 51 LYS H . . 3.610 2.616 2.545 2.647 . 0 0 "[ . 1 . 2]" 1
1075 1 50 ALA H 1 52 ALA H . . 5.080 4.126 3.933 4.443 . 0 0 "[ . 1 . 2]" 1
1076 1 50 ALA H 1 53 ALA MB . . 4.490 4.437 4.167 4.513 0.023 7 0 "[ . 1 . 2]" 1
1077 1 50 ALA HA 1 51 LYS H . . 3.360 3.455 3.410 3.527 0.167 9 0 "[ . 1 . 2]" 1
1078 1 50 ALA HA 1 51 LYS HA . . 4.660 4.680 4.649 4.710 0.050 19 0 "[ . 1 . 2]" 1
1079 1 50 ALA HA 1 52 ALA H . . 4.640 3.880 3.647 4.358 . 0 0 "[ . 1 . 2]" 1
1080 1 50 ALA HA 1 53 ALA MB . . 2.900 2.189 1.976 2.487 . 0 0 "[ . 1 . 2]" 1
1081 1 50 ALA HA 1 54 SER H . . 4.850 3.978 3.540 4.399 . 0 0 "[ . 1 . 2]" 1
1082 1 50 ALA MB 1 51 LYS H . . 3.150 3.135 2.998 3.199 0.049 17 0 "[ . 1 . 2]" 1
1083 1 50 ALA MB 1 51 LYS HA . . 4.130 3.959 3.878 4.013 . 0 0 "[ . 1 . 2]" 1
1084 1 50 ALA MB 1 51 LYS QB . . 4.510 4.464 4.085 4.554 0.044 12 0 "[ . 1 . 2]" 1
1085 1 50 ALA MB 1 52 ALA H . . 4.790 4.540 4.307 4.857 0.067 19 0 "[ . 1 . 2]" 1
1086 1 51 LYS H 1 51 LYS QB . . 2.890 2.233 2.054 2.365 . 0 0 "[ . 1 . 2]" 1
1087 1 51 LYS H 1 51 LYS QD . . 4.280 3.582 1.940 4.497 0.217 19 0 "[ . 1 . 2]" 1
1088 1 51 LYS H 1 51 LYS HG2 . . 3.750 3.274 2.515 4.108 0.358 3 0 "[ . 1 . 2]" 1
1089 1 51 LYS H 1 51 LYS HG3 . . 4.050 3.642 3.164 4.247 0.197 19 0 "[ . 1 . 2]" 1
1090 1 51 LYS H 1 52 ALA H . . 3.010 2.330 2.253 2.447 . 0 0 "[ . 1 . 2]" 1
1091 1 51 LYS HA 1 51 LYS QD . . 3.660 2.684 2.190 3.771 0.111 19 0 "[ . 1 . 2]" 1
1092 1 51 LYS HA 1 51 LYS HG2 . . 3.740 2.864 2.456 3.776 0.036 19 0 "[ . 1 . 2]" 1
1093 1 51 LYS HA 1 51 LYS HG3 . . 3.690 3.172 2.208 3.702 0.012 18 0 "[ . 1 . 2]" 1
1094 1 51 LYS HA 1 52 ALA HA . . 4.800 4.629 4.597 4.722 . 0 0 "[ . 1 . 2]" 1
1095 1 51 LYS QB 1 51 LYS QD . . 3.370 2.205 2.091 2.453 . 0 0 "[ . 1 . 2]" 1
1096 1 51 LYS QB 1 51 LYS QE . . 4.430 3.183 1.977 3.731 . 0 0 "[ . 1 . 2]" 1
1097 1 51 LYS QB 1 52 ALA H . . 3.280 3.097 2.816 3.263 . 0 0 "[ . 1 . 2]" 1
1098 1 51 LYS QB 1 52 ALA HA . . 4.460 4.146 4.000 4.656 0.196 19 0 "[ . 1 . 2]" 1
1099 1 52 ALA H 1 52 ALA MB . . 2.840 2.216 2.117 2.285 . 0 0 "[ . 1 . 2]" 1
1100 1 52 ALA H 1 53 ALA MB . . 4.590 3.715 3.603 3.979 . 0 0 "[ . 1 . 2]" 1
1101 1 52 ALA H 1 54 SER H . . 5.000 3.952 3.738 4.322 . 0 0 "[ . 1 . 2]" 1
1102 1 52 ALA HA 1 53 ALA MB . . 4.800 4.951 4.899 5.005 0.205 14 0 "[ . 1 . 2]" 1
1103 1 52 ALA HA 1 54 SER H . . 4.910 4.354 3.947 4.592 . 0 0 "[ . 1 . 2]" 1
1104 1 52 ALA HA 1 55 ALA H . . 3.810 3.207 2.913 3.510 . 0 0 "[ . 1 . 2]" 1
1105 1 52 ALA HA 1 55 ALA MB . . 3.000 2.479 2.028 2.893 . 0 0 "[ . 1 . 2]" 1
1106 1 52 ALA HA 1 57 VAL H . . 4.100 3.387 3.047 3.843 . 0 0 "[ . 1 . 2]" 1
1107 1 52 ALA HA 1 57 VAL HB . . 3.720 2.753 2.421 3.375 . 0 0 "[ . 1 . 2]" 1
1108 1 52 ALA HA 1 57 VAL MG2 . . 3.570 3.314 3.103 3.570 0.000 7 0 "[ . 1 . 2]" 1
1109 1 52 ALA MB 1 53 ALA H . . 3.130 2.850 2.288 3.165 0.035 20 0 "[ . 1 . 2]" 1
1110 1 52 ALA MB 1 53 ALA HA . . 4.320 3.837 3.700 3.964 . 0 0 "[ . 1 . 2]" 1
1111 1 52 ALA MB 1 53 ALA MB . . 4.120 3.859 3.630 3.994 . 0 0 "[ . 1 . 2]" 1
1112 1 52 ALA MB 1 55 ALA H . . 4.760 4.466 4.181 4.769 0.009 13 0 "[ . 1 . 2]" 1
1113 1 52 ALA MB 1 55 ALA MB . . 4.070 3.781 3.426 4.086 0.016 13 0 "[ . 1 . 2]" 1
1114 1 52 ALA MB 1 56 GLY H . . 5.070 4.953 4.249 5.096 0.026 5 0 "[ . 1 . 2]" 1
1115 1 52 ALA MB 1 57 VAL H . . 3.990 3.408 3.184 3.662 . 0 0 "[ . 1 . 2]" 1
1116 1 52 ALA MB 1 57 VAL MG1 . . 3.520 2.905 2.682 3.407 . 0 0 "[ . 1 . 2]" 1
1117 1 52 ALA MB 1 57 VAL MG2 . . 3.660 3.626 3.235 3.698 0.038 18 0 "[ . 1 . 2]" 1
1118 1 53 ALA H 1 53 ALA MB . . 2.660 1.978 1.937 2.047 . 0 0 "[ . 1 . 2]" 1
1119 1 53 ALA HA 1 55 ALA H . . 5.080 4.317 3.964 4.714 . 0 0 "[ . 1 . 2]" 1
1120 1 53 ALA HA 1 56 GLY H . . 4.250 3.428 3.173 3.811 . 0 0 "[ . 1 . 2]" 1
1121 1 53 ALA HA 1 57 VAL H . . 4.950 3.702 3.246 4.156 . 0 0 "[ . 1 . 2]" 1
1122 1 53 ALA MB 1 54 SER H . . 3.470 2.707 2.534 2.900 . 0 0 "[ . 1 . 2]" 1
1123 1 53 ALA MB 1 54 SER HA . . 4.180 3.721 3.639 3.859 . 0 0 "[ . 1 . 2]" 1
1124 1 53 ALA MB 1 54 SER QB . . 3.990 3.848 3.724 3.987 . 0 0 "[ . 1 . 2]" 1
1125 1 54 SER H 1 54 SER QB . . 2.770 2.116 2.000 2.239 . 0 0 "[ . 1 . 2]" 1
1126 1 54 SER H 1 55 ALA H . . 3.210 2.579 2.351 2.868 . 0 0 "[ . 1 . 2]" 1
1127 1 54 SER H 1 55 ALA MB . . 4.730 4.230 3.983 4.430 . 0 0 "[ . 1 . 2]" 1
1128 1 54 SER HA 1 54 SER QB . . 2.590 2.458 2.284 2.566 . 0 0 "[ . 1 . 2]" 1
1129 1 54 SER QB 1 55 ALA H . . 3.320 2.794 2.482 3.161 . 0 0 "[ . 1 . 2]" 1
1130 1 54 SER QB 1 55 ALA HA . . 4.580 4.067 3.778 4.454 . 0 0 "[ . 1 . 2]" 1
1131 1 54 SER QB 1 55 ALA MB . . 4.000 3.684 3.552 3.900 . 0 0 "[ . 1 . 2]" 1
1132 1 55 ALA H 1 55 ALA MB . . 2.750 2.178 2.034 2.257 . 0 0 "[ . 1 . 2]" 1
1133 1 55 ALA H 1 56 GLY H . . 3.340 2.494 2.308 2.604 . 0 0 "[ . 1 . 2]" 1
1134 1 55 ALA H 1 56 GLY HA2 . . 4.760 4.655 4.408 4.786 0.026 7 0 "[ . 1 . 2]" 1
1135 1 55 ALA H 1 57 VAL H . . 4.760 3.693 3.367 4.083 . 0 0 "[ . 1 . 2]" 1
1136 1 55 ALA H 1 57 VAL MG2 . . 4.550 4.124 3.828 4.419 . 0 0 "[ . 1 . 2]" 1
1137 1 55 ALA HA 1 57 VAL MG2 . . 4.710 3.975 3.600 4.342 . 0 0 "[ . 1 . 2]" 1
1138 1 55 ALA MB 1 56 GLY H . . 3.520 3.309 2.787 3.522 0.002 15 0 "[ . 1 . 2]" 1
1139 1 55 ALA MB 1 57 VAL H . . 3.700 3.048 2.784 3.394 . 0 0 "[ . 1 . 2]" 1
1140 1 55 ALA MB 1 57 VAL HB . . 3.900 3.134 2.850 3.501 . 0 0 "[ . 1 . 2]" 1
1141 1 55 ALA MB 1 57 VAL MG1 . . 4.210 4.054 3.878 4.233 0.023 12 0 "[ . 1 . 2]" 1
1142 1 55 ALA MB 1 57 VAL MG2 . . 2.780 1.975 1.800 2.148 . 0 0 "[ . 1 . 2]" 1
1143 1 56 GLY H 1 57 VAL H . . 3.340 2.692 2.211 2.936 . 0 0 "[ . 1 . 2]" 1
1144 1 56 GLY H 1 57 VAL HB . . 5.150 4.858 4.442 5.152 0.002 17 0 "[ . 1 . 2]" 1
1145 1 56 GLY H 1 57 VAL MG2 . . 4.330 4.006 3.703 4.268 . 0 0 "[ . 1 . 2]" 1
1146 1 56 GLY HA3 1 57 VAL MG2 . . 4.850 4.096 3.953 4.234 . 0 0 "[ . 1 . 2]" 1
1147 1 57 VAL H 1 57 VAL HB . . 3.220 2.433 2.376 2.506 . 0 0 "[ . 1 . 2]" 1
1148 1 57 VAL H 1 57 VAL MG1 . . 3.900 3.756 3.727 3.789 . 0 0 "[ . 1 . 2]" 1
1149 1 57 VAL H 1 57 VAL MG2 . . 3.100 2.591 2.387 2.758 . 0 0 "[ . 1 . 2]" 1
1150 1 57 VAL HA 1 57 VAL MG1 . . 3.040 2.370 2.278 2.459 . 0 0 "[ . 1 . 2]" 1
1151 1 57 VAL HA 1 58 PRO HD2 . . 2.870 2.258 2.193 2.315 . 0 0 "[ . 1 . 2]" 1
1152 1 57 VAL HA 1 58 PRO HD3 . . 2.920 1.986 1.937 2.090 . 0 0 "[ . 1 . 2]" 1
1153 1 57 VAL MG1 1 58 PRO HD2 . . 3.550 2.386 2.035 2.782 . 0 0 "[ . 1 . 2]" 1
1154 1 57 VAL MG1 1 58 PRO HD3 . . 3.730 3.454 3.183 3.752 0.022 9 0 "[ . 1 . 2]" 1
1155 1 57 VAL MG1 1 58 PRO HG2 . . 4.650 4.198 3.958 4.550 . 0 0 "[ . 1 . 2]" 1
1156 1 57 VAL MG2 1 58 PRO HD2 . . 3.960 3.904 3.785 3.991 0.031 13 0 "[ . 1 . 2]" 1
1157 1 58 PRO HA 1 59 TYR H . . 3.150 2.185 2.159 2.253 . 0 0 "[ . 1 . 2]" 1
1158 1 58 PRO HB2 1 59 TYR H . . 4.030 3.501 3.220 3.649 . 0 0 "[ . 1 . 2]" 1
1159 1 58 PRO HB2 1 61 GLY H . . 3.940 2.489 1.921 3.284 . 0 0 "[ . 1 . 2]" 1
1160 1 58 PRO HB2 1 61 GLY HA3 . . 3.950 3.756 3.535 4.004 0.054 12 0 "[ . 1 . 2]" 1
1161 1 58 PRO HB2 1 62 GLU H . . 4.030 2.793 2.413 3.438 . 0 0 "[ . 1 . 2]" 1
1162 1 58 PRO HB3 1 59 TYR H . . 3.940 3.865 3.683 3.968 0.028 20 0 "[ . 1 . 2]" 1
1163 1 58 PRO HG2 1 61 GLY H . . 4.310 3.275 3.014 3.703 . 0 0 "[ . 1 . 2]" 1
1164 1 58 PRO HG2 1 61 GLY HA2 . . 3.830 2.039 1.975 2.296 . 0 0 "[ . 1 . 2]" 1
1165 1 58 PRO HG2 1 61 GLY HA3 . . 3.570 3.558 3.499 3.630 0.060 5 0 "[ . 1 . 2]" 1
1166 1 58 PRO HG3 1 61 GLY HA2 . . 4.050 3.207 2.958 3.651 . 0 0 "[ . 1 . 2]" 1
1167 1 59 TYR H 1 59 TYR HB2 . . 3.530 2.126 1.929 2.293 . 0 0 "[ . 1 . 2]" 1
1168 1 59 TYR H 1 59 TYR HB3 . . 3.420 2.587 2.356 2.861 . 0 0 "[ . 1 . 2]" 1
1169 1 59 TYR H 1 59 TYR QD . . 4.130 3.963 3.647 4.062 . 0 0 "[ . 1 . 2]" 1
1170 1 59 TYR H 1 60 HIS H . . 5.290 3.488 3.051 4.522 . 0 0 "[ . 1 . 2]" 1
1171 1 59 TYR HA 1 59 TYR QD . . 3.320 2.291 2.028 2.945 . 0 0 "[ . 1 . 2]" 1
1172 1 59 TYR HA 1 60 HIS HD2 . . 4.290 3.508 3.399 3.622 . 0 0 "[ . 1 . 2]" 1
1173 1 59 TYR HA 1 61 GLY H . . 4.690 4.254 3.477 4.614 . 0 0 "[ . 1 . 2]" 1
1174 1 59 TYR HB2 1 60 HIS H . . 4.090 3.758 3.427 4.640 0.550 5 5 "[ + *1 * . * -]" 1
1175 1 59 TYR HB3 1 60 HIS H . . 4.830 2.487 1.906 4.220 . 0 0 "[ . 1 . 2]" 1
1176 1 59 TYR QD 1 60 HIS H . . 4.010 3.282 2.225 4.038 0.028 9 0 "[ . 1 . 2]" 1
1177 1 59 TYR QD 1 60 HIS HB2 . . 4.000 3.215 3.055 3.605 . 0 0 "[ . 1 . 2]" 1
1178 1 59 TYR QD 1 60 HIS HB3 . . 4.770 4.757 4.677 4.840 0.070 5 0 "[ . 1 . 2]" 1
1179 1 59 TYR QD 1 60 HIS HD2 . . 4.240 2.976 1.998 3.743 . 0 0 "[ . 1 . 2]" 1
1180 1 59 TYR HH 1 60 HIS HD2 . . 4.760 4.437 4.201 4.774 0.014 5 0 "[ . 1 . 2]" 1
1181 1 60 HIS H 1 60 HIS HD2 . . 3.360 3.096 2.235 3.389 0.029 7 0 "[ . 1 . 2]" 1
1182 1 60 HIS H 1 61 GLY H . . 4.000 2.714 1.887 2.994 . 0 0 "[ . 1 . 2]" 1
1183 1 60 HIS H 1 61 GLY HA2 . . 5.150 4.678 4.206 5.036 . 0 0 "[ . 1 . 2]" 1
1184 1 60 HIS HA 1 60 HIS HD2 . . 3.270 2.946 2.695 3.192 . 0 0 "[ . 1 . 2]" 1
1185 1 60 HIS HB2 1 62 GLU H . . 4.700 3.729 3.242 4.167 . 0 0 "[ . 1 . 2]" 1
1186 1 60 HIS HB2 1 62 GLU HB2 . . 4.470 3.782 3.428 4.474 0.004 5 0 "[ . 1 . 2]" 1
1187 1 60 HIS HB2 1 62 GLU QG . . 4.000 2.743 2.568 3.173 . 0 0 "[ . 1 . 2]" 1
1188 1 60 HIS HB3 1 61 GLY H . . 4.840 4.450 4.276 4.485 . 0 0 "[ . 1 . 2]" 1
1189 1 60 HIS HB3 1 62 GLU H . . 4.950 4.397 3.815 4.961 0.011 5 0 "[ . 1 . 2]" 1
1190 1 60 HIS HB3 1 62 GLU QG . . 4.300 3.359 3.121 4.101 . 0 0 "[ . 1 . 2]" 1
1191 1 60 HIS HD2 1 61 GLY H . . 4.910 4.892 4.751 4.957 0.047 16 0 "[ . 1 . 2]" 1
1192 1 61 GLY H 1 62 GLU H . . 3.700 2.665 2.063 2.837 . 0 0 "[ . 1 . 2]" 1
1193 1 61 GLY H 1 62 GLU HB2 . . 4.730 4.619 4.200 4.747 0.017 8 0 "[ . 1 . 2]" 1
1194 1 62 GLU H 1 62 GLU HB2 . . 3.270 2.206 2.118 2.407 . 0 0 "[ . 1 . 2]" 1
1195 1 62 GLU H 1 62 GLU HB3 . . 3.860 3.471 3.413 3.558 . 0 0 "[ . 1 . 2]" 1
1196 1 62 GLU H 1 62 GLU QG . . 3.470 2.907 2.259 3.209 . 0 0 "[ . 1 . 2]" 1
1197 1 62 GLU H 1 63 VAL H . . 4.880 4.543 4.139 4.672 . 0 0 "[ . 1 . 2]" 1
1198 1 62 GLU HA 1 62 GLU QG . . 3.050 2.146 2.015 2.700 . 0 0 "[ . 1 . 2]" 1
1199 1 62 GLU HA 1 63 VAL H . . 2.730 2.339 2.202 2.487 . 0 0 "[ . 1 . 2]" 1
1200 1 62 GLU HA 1 63 VAL QG . . 3.840 3.134 3.030 3.268 . 0 0 "[ . 1 . 2]" 1
1201 1 62 GLU QG 1 63 VAL H . . 4.570 3.699 3.375 4.262 . 0 0 "[ . 1 . 2]" 1
1202 1 63 VAL H 1 63 VAL HB . . 3.490 3.450 3.393 3.521 0.031 12 0 "[ . 1 . 2]" 1
1203 1 63 VAL H 1 63 VAL QG . . 2.840 1.812 1.770 1.868 . 0 0 "[ . 1 . 2]" 1
1204 1 63 VAL H 1 64 PRO HD2 . . 4.940 4.845 4.800 4.881 . 0 0 "[ . 1 . 2]" 1
1205 1 63 VAL HA 1 63 VAL QG . . 3.340 2.268 2.114 2.501 . 0 0 "[ . 1 . 2]" 1
1206 1 63 VAL HA 1 64 PRO HD2 . . 3.010 2.948 2.885 3.005 . 0 0 "[ . 1 . 2]" 1
1207 1 63 VAL HA 1 64 PRO HD3 . . 2.810 2.148 2.100 2.193 . 0 0 "[ . 1 . 2]" 1
1208 1 63 VAL HB 1 64 PRO HD2 . . 3.120 1.949 1.932 1.971 . 0 0 "[ . 1 . 2]" 1
1209 1 63 VAL HB 1 64 PRO HD3 . . 3.400 2.859 2.529 3.051 . 0 0 "[ . 1 . 2]" 1
1210 1 63 VAL QG 1 64 PRO HD2 . . 3.300 2.249 2.017 2.512 . 0 0 "[ . 1 . 2]" 1
1211 1 63 VAL QG 1 64 PRO HD3 . . 3.600 2.783 2.451 3.344 . 0 0 "[ . 1 . 2]" 1
1212 1 63 VAL QG 1 64 PRO HG2 . . 4.090 3.922 3.555 4.114 0.024 18 0 "[ . 1 . 2]" 1
1213 1 64 PRO HA 1 65 VAL H . . 2.990 2.272 2.180 2.468 . 0 0 "[ . 1 . 2]" 1
1214 1 64 PRO HB2 1 65 VAL H . . 3.920 3.186 2.632 3.516 . 0 0 "[ . 1 . 2]" 1
1215 1 64 PRO HB3 1 65 VAL H . . 3.850 3.668 3.359 3.874 0.024 1 0 "[ . 1 . 2]" 1
1216 1 65 VAL H 1 65 VAL MG2 . . 2.960 1.902 1.857 1.951 . 0 0 "[ . 1 . 2]" 1
1217 1 65 VAL H 1 67 LEU MD2 . . 4.930 4.921 4.772 4.971 0.041 6 0 "[ . 1 . 2]" 1
1218 1 65 VAL HA 1 65 VAL MG1 . . 2.940 2.268 2.119 2.401 . 0 0 "[ . 1 . 2]" 1
1219 1 65 VAL HA 1 65 VAL MG2 . . 3.450 3.216 3.203 3.221 . 0 0 "[ . 1 . 2]" 1
1220 1 65 VAL HA 1 66 SER H . . 2.890 2.193 2.186 2.221 . 0 0 "[ . 1 . 2]" 1
1221 1 65 VAL HA 1 89 LEU MD1 . . 4.250 3.785 3.669 4.049 . 0 0 "[ . 1 . 2]" 1
1222 1 65 VAL HB 1 66 SER H . . 3.470 3.406 3.214 3.490 0.020 17 0 "[ . 1 . 2]" 1
1223 1 65 VAL HB 1 67 LEU MD2 . . 4.520 4.157 3.970 4.311 . 0 0 "[ . 1 . 2]" 1
1224 1 65 VAL HB 1 89 LEU MD1 . . 2.820 1.909 1.797 2.235 . 0 0 "[ . 1 . 2]" 1
1225 1 65 VAL HB 1 89 LEU MD2 . . 3.680 3.640 3.403 3.734 0.054 9 0 "[ . 1 . 2]" 1
1226 1 65 VAL HB 1 95 TYR QE . . 4.090 3.977 3.767 4.098 0.008 13 0 "[ . 1 . 2]" 1
1227 1 65 VAL MG1 1 66 SER H . . 3.920 3.944 3.816 4.008 0.088 13 0 "[ . 1 . 2]" 1
1228 1 65 VAL MG1 1 93 LYS HD2 . . 3.590 3.107 2.819 3.590 . 0 0 "[ . 1 . 2]" 1
1229 1 65 VAL MG1 1 93 LYS HD3 . . 3.740 3.637 3.133 3.764 0.024 14 0 "[ . 1 . 2]" 1
1230 1 65 VAL MG1 1 93 LYS QE . . 3.760 3.603 3.247 3.800 0.040 15 0 "[ . 1 . 2]" 1
1231 1 65 VAL MG1 1 95 TYR QE . . 3.870 2.884 2.676 3.233 . 0 0 "[ . 1 . 2]" 1
1232 1 65 VAL MG2 1 66 SER H . . 4.270 4.130 3.976 4.254 . 0 0 "[ . 1 . 2]" 1
1233 1 65 VAL MG2 1 67 LEU MD1 . . 4.110 4.092 3.948 4.164 0.054 15 0 "[ . 1 . 2]" 1
1234 1 65 VAL MG2 1 67 LEU MD2 . . 3.330 2.567 2.395 2.783 . 0 0 "[ . 1 . 2]" 1
1235 1 65 VAL MG2 1 95 TYR QE . . 3.780 3.614 3.340 3.794 0.014 20 0 "[ . 1 . 2]" 1
1236 1 66 SER H 1 66 SER HB2 . . 3.540 2.675 2.043 3.570 0.030 4 0 "[ . 1 . 2]" 1
1237 1 66 SER H 1 66 SER HB3 . . 3.050 3.050 2.211 3.557 0.507 5 2 "[ + - 1 . 2]" 1
1238 1 66 SER HA 1 67 LEU H . . 3.140 2.238 2.224 2.276 . 0 0 "[ . 1 . 2]" 1
1239 1 66 SER HA 1 67 LEU HA . . 4.340 4.381 4.377 4.387 0.047 10 0 "[ . 1 . 2]" 1
1240 1 66 SER HA 1 67 LEU HB2 . . 4.690 4.711 4.479 4.761 0.071 14 0 "[ . 1 . 2]" 1
1241 1 66 SER HA 1 67 LEU MD2 . . 4.950 4.684 4.558 4.829 . 0 0 "[ . 1 . 2]" 1
1242 1 66 SER HA 1 67 LEU HG . . 4.540 3.643 3.567 4.012 . 0 0 "[ . 1 . 2]" 1
1243 1 66 SER HB2 1 67 LEU H . . 4.290 4.054 3.340 4.545 0.255 3 0 "[ . 1 . 2]" 1
1244 1 66 SER HB2 1 68 ALA H . . 4.580 3.496 2.387 4.636 0.056 17 0 "[ . 1 . 2]" 1
1245 1 66 SER HB3 1 67 LEU H . . 4.770 3.796 3.300 4.425 . 0 0 "[ . 1 . 2]" 1
1246 1 66 SER HB3 1 68 ALA H . . 4.300 3.289 2.309 4.262 . 0 0 "[ . 1 . 2]" 1
1247 1 66 SER HB3 1 68 ALA MB . . 4.470 3.212 2.445 4.148 . 0 0 "[ . 1 . 2]" 1
1248 1 67 LEU H 1 67 LEU HB2 . . 3.460 2.521 2.371 2.558 . 0 0 "[ . 1 . 2]" 1
1249 1 67 LEU H 1 67 LEU HB3 . . 3.770 3.616 3.593 3.635 . 0 0 "[ . 1 . 2]" 1
1250 1 67 LEU H 1 67 LEU MD1 . . 3.930 3.453 3.290 3.876 . 0 0 "[ . 1 . 2]" 1
1251 1 67 LEU H 1 67 LEU MD2 . . 3.990 3.702 3.594 3.866 . 0 0 "[ . 1 . 2]" 1
1252 1 67 LEU H 1 67 LEU HG . . 3.550 2.405 2.254 2.915 . 0 0 "[ . 1 . 2]" 1
1253 1 67 LEU H 1 68 ALA H . . 3.570 3.118 2.848 3.393 . 0 0 "[ . 1 . 2]" 1
1254 1 67 LEU H 1 68 ALA HA . . 4.810 4.717 4.476 4.847 0.037 15 0 "[ . 1 . 2]" 1
1255 1 67 LEU H 1 68 ALA MB . . 4.520 4.252 4.076 4.533 0.013 17 0 "[ . 1 . 2]" 1
1256 1 67 LEU H 1 70 ALA MB . . 4.770 4.516 4.302 4.843 0.073 10 0 "[ . 1 . 2]" 1
1257 1 67 LEU HA 1 67 LEU MD1 . . 4.190 3.946 3.854 3.967 . 0 0 "[ . 1 . 2]" 1
1258 1 67 LEU HA 1 67 LEU MD2 . . 2.920 2.227 1.961 2.398 . 0 0 "[ . 1 . 2]" 1
1259 1 67 LEU HA 1 67 LEU HG . . 3.950 2.996 2.955 3.067 . 0 0 "[ . 1 . 2]" 1
1260 1 67 LEU HA 1 70 ALA MB . . 3.030 2.160 1.952 2.415 . 0 0 "[ . 1 . 2]" 1
1261 1 67 LEU HA 1 87 LEU MD1 . . 4.840 4.630 4.301 4.871 0.031 20 0 "[ . 1 . 2]" 1
1262 1 67 LEU HA 1 89 LEU MD1 . . 4.560 3.899 3.649 4.209 . 0 0 "[ . 1 . 2]" 1
1263 1 67 LEU HA 1 89 LEU MD2 . . 3.580 3.111 2.615 3.410 . 0 0 "[ . 1 . 2]" 1
1264 1 67 LEU HB2 1 67 LEU MD1 . . 3.280 2.089 2.019 2.273 . 0 0 "[ . 1 . 2]" 1
1265 1 67 LEU HB2 1 67 LEU MD2 . . 3.430 3.186 3.166 3.206 . 0 0 "[ . 1 . 2]" 1
1266 1 67 LEU HB2 1 116 ILE HG13 . . 3.800 3.106 2.837 3.852 0.052 17 0 "[ . 1 . 2]" 1
1267 1 67 LEU HB3 1 67 LEU MD1 . . 3.390 2.606 2.446 2.688 . 0 0 "[ . 1 . 2]" 1
1268 1 67 LEU HB3 1 67 LEU MD2 . . 3.180 2.268 2.185 2.370 . 0 0 "[ . 1 . 2]" 1
1269 1 67 LEU HB3 1 68 ALA H . . 5.260 4.561 4.482 4.593 . 0 0 "[ . 1 . 2]" 1
1270 1 67 LEU HB3 1 116 ILE HA . . 4.520 3.182 2.732 3.533 . 0 0 "[ . 1 . 2]" 1
1271 1 67 LEU HB3 1 116 ILE MD . . 3.570 3.247 3.052 3.559 . 0 0 "[ . 1 . 2]" 1
1272 1 67 LEU HB3 1 116 ILE HG13 . . 3.590 2.082 1.991 2.295 . 0 0 "[ . 1 . 2]" 1
1273 1 67 LEU HB3 1 116 ILE MG . . 4.620 4.140 3.764 4.556 . 0 0 "[ . 1 . 2]" 1
1274 1 67 LEU MD1 1 112 VAL HA . . 3.550 2.792 2.736 2.858 . 0 0 "[ . 1 . 2]" 1
1275 1 67 LEU MD1 1 112 VAL HB . . 4.720 4.755 4.721 4.821 0.101 10 0 "[ . 1 . 2]" 1
1276 1 67 LEU MD1 1 112 VAL MG2 . . 3.480 3.329 3.186 3.418 . 0 0 "[ . 1 . 2]" 1
1277 1 67 LEU MD1 1 115 ALA MB . . 2.830 1.886 1.730 2.083 . 0 0 "[ . 1 . 2]" 1
1278 1 67 LEU MD1 1 116 ILE HG13 . . 4.010 3.191 2.778 3.748 . 0 0 "[ . 1 . 2]" 1
1279 1 67 LEU MD2 1 68 ALA H . . 4.910 4.702 4.353 4.872 . 0 0 "[ . 1 . 2]" 1
1280 1 67 LEU MD2 1 89 LEU MD1 . . 3.780 3.508 3.274 3.772 . 0 0 "[ . 1 . 2]" 1
1281 1 67 LEU MD2 1 112 VAL HA . . 4.070 4.103 4.084 4.133 0.063 10 0 "[ . 1 . 2]" 1
1282 1 67 LEU MD2 1 116 ILE HG13 . . 3.990 3.467 3.305 3.683 . 0 0 "[ . 1 . 2]" 1
1283 1 68 ALA H 1 68 ALA MB . . 2.790 2.091 2.004 2.236 . 0 0 "[ . 1 . 2]" 1
1284 1 68 ALA H 1 69 ARG H . . 4.940 4.347 3.780 4.485 . 0 0 "[ . 1 . 2]" 1
1285 1 68 ALA H 1 70 ALA MB . . 4.790 3.628 3.465 3.786 . 0 0 "[ . 1 . 2]" 1
1286 1 68 ALA HA 1 69 ARG H . . 2.910 2.316 2.187 3.413 0.503 10 1 "[ . + . 2]" 1
1287 1 68 ALA HA 1 69 ARG QG . . 4.070 3.656 3.373 4.083 0.013 17 0 "[ . 1 . 2]" 1
1288 1 68 ALA HA 1 70 ALA H . . 4.040 3.599 3.414 4.106 0.066 10 0 "[ . 1 . 2]" 1
1289 1 68 ALA HA 1 120 PRO HD3 . . 4.190 3.271 2.631 4.186 . 0 0 "[ . 1 . 2]" 1
1290 1 68 ALA HA 1 120 PRO QG . . 4.670 3.431 2.310 4.571 . 0 0 "[ . 1 . 2]" 1
1291 1 68 ALA MB 1 69 ARG H . . 3.620 3.260 1.796 3.569 . 0 0 "[ . 1 . 2]" 1
1292 1 68 ALA MB 1 69 ARG HA . . 4.750 4.647 3.883 4.795 0.045 1 0 "[ . 1 . 2]" 1
1293 1 68 ALA MB 1 69 ARG QD . . 4.530 4.194 1.929 4.533 0.003 2 0 "[ . 1 . 2]" 1
1294 1 68 ALA MB 1 69 ARG QG . . 3.410 2.751 2.575 3.523 0.113 15 0 "[ . 1 . 2]" 1
1295 1 68 ALA MB 1 90 GLN HE21 . . 4.350 2.934 1.904 4.371 0.021 20 0 "[ . 1 . 2]" 1
1296 1 68 ALA MB 1 90 GLN HE22 . . 4.210 3.086 2.219 4.229 0.019 15 0 "[ . 1 . 2]" 1
1297 1 68 ALA MB 1 120 PRO HB2 . . 4.610 4.322 2.707 5.092 0.482 15 0 "[ . 1 . 2]" 1
1298 1 68 ALA MB 1 120 PRO HD2 . . 4.000 3.047 2.071 4.232 0.232 15 0 "[ . 1 . 2]" 1
1299 1 68 ALA MB 1 120 PRO HD3 . . 4.260 2.938 2.007 3.954 . 0 0 "[ . 1 . 2]" 1
1300 1 68 ALA MB 1 120 PRO QG . . 3.890 2.235 1.813 2.733 . 0 0 "[ . 1 . 2]" 1
1301 1 69 ARG H 1 69 ARG QD . . 4.630 4.318 3.130 4.642 0.012 1 0 "[ . 1 . 2]" 1
1302 1 69 ARG H 1 69 ARG QG . . 3.880 2.580 2.177 2.726 . 0 0 "[ . 1 . 2]" 1
1303 1 69 ARG H 1 70 ALA H . . 3.770 2.572 2.377 2.744 . 0 0 "[ . 1 . 2]" 1
1304 1 69 ARG H 1 116 ILE MG . . 3.990 2.986 2.506 4.093 0.103 10 0 "[ . 1 . 2]" 1
1305 1 69 ARG HA 1 69 ARG QD . . 3.590 3.444 2.835 3.770 0.180 11 0 "[ . 1 . 2]" 1
1306 1 69 ARG HA 1 69 ARG QG . . 2.950 2.517 2.400 2.666 . 0 0 "[ . 1 . 2]" 1
1307 1 69 ARG HA 1 70 ALA MB . . 4.630 4.674 4.513 4.741 0.111 15 0 "[ . 1 . 2]" 1
1308 1 69 ARG HA 1 116 ILE MG . . 3.880 3.203 2.199 3.567 . 0 0 "[ . 1 . 2]" 1
1309 1 69 ARG HB2 1 69 ARG QD . . 3.170 2.978 2.073 3.192 0.022 20 0 "[ . 1 . 2]" 1
1310 1 69 ARG HB3 1 69 ARG QD . . 3.140 2.185 1.973 3.158 0.018 15 0 "[ . 1 . 2]" 1
1311 1 69 ARG HB3 1 70 ALA H . . 4.910 4.573 4.531 4.613 . 0 0 "[ . 1 . 2]" 1
1312 1 70 ALA H 1 70 ALA MB . . 2.880 2.068 1.989 2.185 . 0 0 "[ . 1 . 2]" 1
1313 1 70 ALA H 1 71 GLN H . . 5.120 4.593 4.526 4.672 . 0 0 "[ . 1 . 2]" 1
1314 1 70 ALA H 1 116 ILE HA . . 4.970 4.203 3.951 4.420 . 0 0 "[ . 1 . 2]" 1
1315 1 70 ALA H 1 116 ILE MD . . 4.360 3.798 3.545 4.150 . 0 0 "[ . 1 . 2]" 1
1316 1 70 ALA H 1 116 ILE HG12 . . 4.160 2.805 2.642 2.964 . 0 0 "[ . 1 . 2]" 1
1317 1 70 ALA H 1 116 ILE HG13 . . 4.550 4.511 4.366 4.585 0.035 13 0 "[ . 1 . 2]" 1
1318 1 70 ALA H 1 116 ILE MG . . 3.620 2.744 2.458 3.025 . 0 0 "[ . 1 . 2]" 1
1319 1 70 ALA HA 1 71 GLN H . . 3.180 2.498 2.339 2.611 . 0 0 "[ . 1 . 2]" 1
1320 1 70 ALA HA 1 89 LEU MD2 . . 4.020 3.775 3.597 4.035 0.015 8 0 "[ . 1 . 2]" 1
1321 1 70 ALA HA 1 90 GLN HA . . 4.410 3.803 3.362 4.150 . 0 0 "[ . 1 . 2]" 1
1322 1 70 ALA MB 1 71 GLN H . . 2.950 2.460 2.257 2.775 . 0 0 "[ . 1 . 2]" 1
1323 1 70 ALA MB 1 71 GLN QG . . 4.720 4.465 4.094 4.723 0.003 5 0 "[ . 1 . 2]" 1
1324 1 70 ALA MB 1 87 LEU MD1 . . 3.030 2.726 2.451 3.002 . 0 0 "[ . 1 . 2]" 1
1325 1 70 ALA MB 1 89 LEU HA . . 3.330 1.957 1.885 2.044 . 0 0 "[ . 1 . 2]" 1
1326 1 70 ALA MB 1 89 LEU HB2 . . 4.290 4.303 4.090 4.361 0.071 9 0 "[ . 1 . 2]" 1
1327 1 70 ALA MB 1 89 LEU MD1 . . 3.570 3.588 3.497 3.634 0.064 8 0 "[ . 1 . 2]" 1
1328 1 70 ALA MB 1 89 LEU MD2 . . 2.800 2.037 1.894 2.237 . 0 0 "[ . 1 . 2]" 1
1329 1 70 ALA MB 1 90 GLN H . . 4.270 3.249 2.787 4.303 0.033 15 0 "[ . 1 . 2]" 1
1330 1 70 ALA MB 1 116 ILE HA . . 4.250 4.114 3.912 4.253 0.003 17 0 "[ . 1 . 2]" 1
1331 1 70 ALA MB 1 116 ILE MD . . 2.820 2.588 2.340 2.755 . 0 0 "[ . 1 . 2]" 1
1332 1 70 ALA MB 1 116 ILE HG13 . . 3.450 3.347 3.065 3.463 0.013 5 0 "[ . 1 . 2]" 1
1333 1 70 ALA MB 1 116 ILE MG . . 3.410 3.367 3.241 3.431 0.021 2 0 "[ . 1 . 2]" 1
1334 1 71 GLN H 1 71 GLN HB2 . . 3.680 2.995 2.411 3.844 0.164 11 0 "[ . 1 . 2]" 1
1335 1 71 GLN H 1 71 GLN HB3 . . 3.810 3.423 2.890 3.757 . 0 0 "[ . 1 . 2]" 1
1336 1 71 GLN H 1 71 GLN QG . . 3.990 3.212 2.159 3.865 . 0 0 "[ . 1 . 2]" 1
1337 1 71 GLN H 1 87 LEU MD1 . . 3.900 3.278 3.024 3.593 . 0 0 "[ . 1 . 2]" 1
1338 1 71 GLN H 1 88 GLY H . . 3.870 3.523 3.096 3.901 0.031 20 0 "[ . 1 . 2]" 1
1339 1 71 GLN H 1 88 GLY HA3 . . 5.010 4.129 3.781 4.687 . 0 0 "[ . 1 . 2]" 1
1340 1 71 GLN H 1 89 LEU HA . . 4.990 3.227 2.837 3.515 . 0 0 "[ . 1 . 2]" 1
1341 1 71 GLN H 1 116 ILE MD . . 4.410 3.468 3.137 3.935 . 0 0 "[ . 1 . 2]" 1
1342 1 71 GLN HA 1 71 GLN QG . . 3.560 2.501 1.986 3.347 . 0 0 "[ . 1 . 2]" 1
1343 1 71 GLN HA 1 87 LEU MD1 . . 4.520 4.196 3.856 4.346 . 0 0 "[ . 1 . 2]" 1
1344 1 71 GLN HA 1 88 GLY H . . 5.500 5.102 4.740 5.509 0.009 9 0 "[ . 1 . 2]" 1
1345 1 71 GLN HA 1 116 ILE MD . . 3.340 2.447 1.911 2.892 . 0 0 "[ . 1 . 2]" 1
1346 1 71 GLN HA 1 116 ILE MG . . 4.140 3.664 3.275 3.958 . 0 0 "[ . 1 . 2]" 1
1347 1 71 GLN HB2 1 72 GLY H . . 4.470 3.945 2.917 4.440 . 0 0 "[ . 1 . 2]" 1
1348 1 71 GLN HB2 1 88 GLY H . . 4.590 4.327 3.298 4.706 0.116 17 0 "[ . 1 . 2]" 1
1349 1 71 GLN HB3 1 72 GLY H . . 4.230 3.495 2.948 4.354 0.124 17 0 "[ . 1 . 2]" 1
1350 1 71 GLN HB3 1 88 GLY H . . 4.670 4.432 3.981 4.754 0.084 1 0 "[ . 1 . 2]" 1
1351 1 71 GLN QG 1 72 GLY H . . 4.800 3.705 3.175 4.269 . 0 0 "[ . 1 . 2]" 1
1352 1 71 GLN QG 1 116 ILE MD . . 4.670 3.890 2.842 4.704 0.034 17 0 "[ . 1 . 2]" 1
1353 1 72 GLY H 1 87 LEU MD1 . . 4.450 3.959 3.592 4.305 . 0 0 "[ . 1 . 2]" 1
1354 1 72 GLY H 1 116 ILE MD . . 3.870 3.089 2.754 3.434 . 0 0 "[ . 1 . 2]" 1
1355 1 72 GLY HA2 1 73 SER H . . 3.470 2.208 2.199 2.222 . 0 0 "[ . 1 . 2]" 1
1356 1 72 GLY HA2 1 87 LEU HA . . 4.030 2.439 2.128 2.694 . 0 0 "[ . 1 . 2]" 1
1357 1 72 GLY HA2 1 87 LEU MD1 . . 4.190 2.589 2.328 3.072 . 0 0 "[ . 1 . 2]" 1
1358 1 72 GLY HA2 1 112 VAL MG1 . . 4.430 3.792 3.499 4.284 . 0 0 "[ . 1 . 2]" 1
1359 1 72 GLY HA3 1 73 SER H . . 3.520 3.349 3.216 3.431 . 0 0 "[ . 1 . 2]" 1
1360 1 72 GLY HA3 1 87 LEU HA . . 4.220 3.912 3.251 4.222 0.002 10 0 "[ . 1 . 2]" 1
1361 1 72 GLY HA3 1 87 LEU MD1 . . 3.950 2.873 2.587 3.488 . 0 0 "[ . 1 . 2]" 1
1362 1 72 GLY HA3 1 109 LEU QD . . 4.490 2.458 2.043 2.797 . 0 0 "[ . 1 . 2]" 1
1363 1 72 GLY HA3 1 112 VAL MG1 . . 3.730 2.791 2.569 3.094 . 0 0 "[ . 1 . 2]" 1
1364 1 72 GLY HA3 1 116 ILE MD . . 4.400 3.527 3.097 4.121 . 0 0 "[ . 1 . 2]" 1
1365 1 73 SER H 1 73 SER QB . . 3.900 2.613 2.392 2.681 . 0 0 "[ . 1 . 2]" 1
1366 1 73 SER H 1 85 PHE QD . . 5.050 4.216 3.893 4.383 . 0 0 "[ . 1 . 2]" 1
1367 1 73 SER H 1 86 LYS H . . 3.990 3.655 3.253 3.978 . 0 0 "[ . 1 . 2]" 1
1368 1 73 SER H 1 86 LYS HB3 . . 4.530 4.080 3.705 4.322 . 0 0 "[ . 1 . 2]" 1
1369 1 73 SER H 1 86 LYS QG . . 4.860 4.671 4.211 4.873 0.013 15 0 "[ . 1 . 2]" 1
1370 1 73 SER H 1 87 LEU HA . . 4.620 3.390 3.065 3.671 . 0 0 "[ . 1 . 2]" 1
1371 1 73 SER H 1 87 LEU MD1 . . 4.800 4.305 4.006 4.692 . 0 0 "[ . 1 . 2]" 1
1372 1 73 SER H 1 109 LEU QD . . 3.870 2.917 2.644 3.053 . 0 0 "[ . 1 . 2]" 1
1373 1 73 SER HA 1 74 VAL H . . 3.430 2.462 2.396 2.484 . 0 0 "[ . 1 . 2]" 1
1374 1 73 SER HA 1 74 VAL QG . . 4.290 3.582 3.194 3.823 . 0 0 "[ . 1 . 2]" 1
1375 1 73 SER HA 1 109 LEU QD . . 3.730 2.319 2.119 2.610 . 0 0 "[ . 1 . 2]" 1
1376 1 73 SER QB 1 74 VAL H . . 3.370 3.004 2.471 3.401 0.031 15 0 "[ . 1 . 2]" 1
1377 1 73 SER QB 1 74 VAL QG . . 4.850 4.274 3.428 4.569 . 0 0 "[ . 1 . 2]" 1
1378 1 73 SER QB 1 86 LYS HB3 . . 4.710 3.723 3.149 4.022 . 0 0 "[ . 1 . 2]" 1
1379 1 73 SER QB 1 86 LYS QD . . 4.810 4.792 4.273 4.855 0.045 17 0 "[ . 1 . 2]" 1
1380 1 73 SER QB 1 109 LEU QD . . 3.880 3.800 3.693 3.867 . 0 0 "[ . 1 . 2]" 1
1381 1 74 VAL H 1 74 VAL HB . . 3.490 2.505 2.228 3.553 0.063 16 0 "[ . 1 . 2]" 1
1382 1 74 VAL H 1 74 VAL QG . . 3.120 2.248 1.822 2.847 . 0 0 "[ . 1 . 2]" 1
1383 1 74 VAL H 1 109 LEU QD . . 4.010 3.379 3.107 3.651 . 0 0 "[ . 1 . 2]" 1
1384 1 74 VAL HA 1 74 VAL QG . . 3.260 2.131 2.000 2.474 . 0 0 "[ . 1 . 2]" 1
1385 1 74 VAL HA 1 75 ALA H . . 3.300 2.381 2.257 2.469 . 0 0 "[ . 1 . 2]" 1
1386 1 74 VAL HA 1 85 PHE HA . . 3.440 2.048 1.925 2.412 . 0 0 "[ . 1 . 2]" 1
1387 1 74 VAL HA 1 85 PHE HB2 . . 4.260 2.596 2.147 2.899 . 0 0 "[ . 1 . 2]" 1
1388 1 74 VAL HA 1 85 PHE HB3 . . 4.090 2.414 2.179 2.790 . 0 0 "[ . 1 . 2]" 1
1389 1 74 VAL HA 1 86 LYS H . . 4.520 3.248 2.837 3.543 . 0 0 "[ . 1 . 2]" 1
1390 1 74 VAL HA 1 105 MET ME . . 3.150 3.110 2.653 3.311 0.161 18 0 "[ . 1 . 2]" 1
1391 1 74 VAL HA 1 109 LEU QD . . 3.900 3.309 3.084 3.483 . 0 0 "[ . 1 . 2]" 1
1392 1 74 VAL HB 1 75 ALA H . . 4.640 3.751 2.708 4.285 . 0 0 "[ . 1 . 2]" 1
1393 1 74 VAL HB 1 76 PHE QD . . 4.680 3.572 2.511 4.688 0.008 20 0 "[ . 1 . 2]" 1
1394 1 74 VAL HB 1 76 PHE QE . . 4.460 2.936 2.103 4.235 . 0 0 "[ . 1 . 2]" 1
1395 1 74 VAL HB 1 76 PHE HZ . . 4.630 3.769 2.463 4.645 0.015 20 0 "[ . 1 . 2]" 1
1396 1 74 VAL HB 1 105 MET ME . . 4.130 3.383 1.790 3.777 . 0 0 "[ . 1 . 2]" 1
1397 1 74 VAL QG 1 75 ALA H . . 3.370 2.111 1.872 2.734 . 0 0 "[ . 1 . 2]" 1
1398 1 74 VAL QG 1 75 ALA MB . . 4.210 3.534 3.227 3.938 . 0 0 "[ . 1 . 2]" 1
1399 1 74 VAL QG 1 76 PHE H . . 3.910 2.596 1.928 3.194 . 0 0 "[ . 1 . 2]" 1
1400 1 74 VAL QG 1 76 PHE HA . . 3.830 3.179 2.850 3.771 . 0 0 "[ . 1 . 2]" 1
1401 1 74 VAL QG 1 76 PHE HB2 . . 4.400 3.972 3.221 4.467 0.067 3 0 "[ . 1 . 2]" 1
1402 1 74 VAL QG 1 76 PHE HB3 . . 4.630 4.401 4.180 4.583 . 0 0 "[ . 1 . 2]" 1
1403 1 74 VAL QG 1 76 PHE QD . . 4.150 2.825 1.842 3.364 . 0 0 "[ . 1 . 2]" 1
1404 1 74 VAL QG 1 76 PHE QE . . 4.400 2.722 2.048 3.628 . 0 0 "[ . 1 . 2]" 1
1405 1 74 VAL QG 1 76 PHE HZ . . 4.740 3.163 2.474 4.220 . 0 0 "[ . 1 . 2]" 1
1406 1 74 VAL QG 1 85 PHE HA . . 3.900 3.185 2.990 3.679 . 0 0 "[ . 1 . 2]" 1
1407 1 74 VAL QG 1 85 PHE HB3 . . 4.790 2.788 2.418 3.156 . 0 0 "[ . 1 . 2]" 1
1408 1 74 VAL QG 1 105 MET ME . . 2.740 1.629 1.555 1.971 . 0 0 "[ . 1 . 2]" 1
1409 1 74 VAL QG 1 105 MET HG2 . . 4.560 3.726 3.357 4.502 . 0 0 "[ . 1 . 2]" 1
1410 1 74 VAL QG 1 105 MET HG3 . . 4.800 4.252 3.446 4.656 . 0 0 "[ . 1 . 2]" 1
1411 1 74 VAL QG 1 109 LEU QD . . 3.650 2.783 2.477 3.026 . 0 0 "[ . 1 . 2]" 1
1412 1 75 ALA H 1 75 ALA MB . . 3.090 2.245 2.043 2.460 . 0 0 "[ . 1 . 2]" 1
1413 1 75 ALA H 1 76 PHE H . . 5.310 3.500 2.546 3.933 . 0 0 "[ . 1 . 2]" 1
1414 1 75 ALA H 1 85 PHE HA . . 3.180 2.007 1.919 2.286 . 0 0 "[ . 1 . 2]" 1
1415 1 75 ALA H 1 85 PHE HB2 . . 4.630 4.263 4.099 4.418 . 0 0 "[ . 1 . 2]" 1
1416 1 75 ALA H 1 85 PHE HB3 . . 4.330 3.714 3.556 3.856 . 0 0 "[ . 1 . 2]" 1
1417 1 75 ALA H 1 86 LYS H . . 4.710 3.628 3.352 3.813 . 0 0 "[ . 1 . 2]" 1
1418 1 75 ALA H 1 105 MET ME . . 4.510 3.837 3.057 4.189 . 0 0 "[ . 1 . 2]" 1
1419 1 75 ALA HA 1 85 PHE HA . . 4.300 3.921 3.627 4.291 . 0 0 "[ . 1 . 2]" 1
1420 1 75 ALA MB 1 78 TYR H . . 3.860 3.035 2.728 3.724 . 0 0 "[ . 1 . 2]" 1
1421 1 75 ALA MB 1 78 TYR HB2 . . 3.500 2.213 1.958 2.506 . 0 0 "[ . 1 . 2]" 1
1422 1 75 ALA MB 1 78 TYR HB3 . . 3.570 2.980 2.404 3.435 . 0 0 "[ . 1 . 2]" 1
1423 1 75 ALA MB 1 78 TYR QD . . 4.230 3.231 2.633 3.578 . 0 0 "[ . 1 . 2]" 1
1424 1 75 ALA MB 1 84 VAL HA . . 4.680 4.190 3.971 4.695 0.015 16 0 "[ . 1 . 2]" 1
1425 1 75 ALA MB 1 84 VAL HB . . 3.500 2.843 2.385 3.493 . 0 0 "[ . 1 . 2]" 1
1426 1 75 ALA MB 1 84 VAL MG1 . . 2.930 2.218 1.946 2.874 . 0 0 "[ . 1 . 2]" 1
1427 1 75 ALA MB 1 85 PHE H . . 5.000 3.685 3.336 4.137 . 0 0 "[ . 1 . 2]" 1
1428 1 75 ALA MB 1 85 PHE HA . . 3.690 2.458 2.275 2.677 . 0 0 "[ . 1 . 2]" 1
1429 1 75 ALA MB 1 86 LYS H . . 4.170 2.944 2.686 3.417 . 0 0 "[ . 1 . 2]" 1
1430 1 75 ALA MB 1 86 LYS HB2 . . 3.460 2.821 2.260 3.260 . 0 0 "[ . 1 . 2]" 1
1431 1 75 ALA MB 1 86 LYS HB3 . . 3.970 3.730 3.171 3.993 0.023 17 0 "[ . 1 . 2]" 1
1432 1 75 ALA MB 1 86 LYS QE . . 4.390 3.929 3.226 4.404 0.014 17 0 "[ . 1 . 2]" 1
1433 1 75 ALA MB 1 96 LEU QD . . 3.340 2.490 2.198 2.974 . 0 0 "[ . 1 . 2]" 1
1434 1 76 PHE H 1 76 PHE HB2 . . 3.890 2.330 2.125 3.228 . 0 0 "[ . 1 . 2]" 1
1435 1 76 PHE H 1 76 PHE QD . . 4.170 2.638 2.083 3.182 . 0 0 "[ . 1 . 2]" 1
1436 1 76 PHE H 1 76 PHE QE . . 4.610 4.424 3.955 4.673 0.063 18 0 "[ . 1 . 2]" 1
1437 1 76 PHE H 1 77 ASP H . . 4.550 2.991 2.512 4.322 . 0 0 "[ . 1 . 2]" 1
1438 1 76 PHE HA 1 76 PHE QD . . 4.050 2.520 1.973 3.083 . 0 0 "[ . 1 . 2]" 1
1439 1 76 PHE HB2 1 77 ASP H . . 4.610 2.906 2.253 4.556 . 0 0 "[ . 1 . 2]" 1
1440 1 76 PHE HB3 1 77 ASP H . . 4.230 3.592 2.260 4.518 0.288 9 0 "[ . 1 . 2]" 1
1441 1 77 ASP H 1 77 ASP QB . . 3.460 2.351 2.006 3.169 . 0 0 "[ . 1 . 2]" 1
1442 1 77 ASP H 1 78 TYR H . . 4.050 2.866 1.870 3.466 . 0 0 "[ . 1 . 2]" 1
1443 1 78 TYR H 1 78 TYR HB2 . . 3.510 2.083 1.884 3.025 . 0 0 "[ . 1 . 2]" 1
1444 1 78 TYR H 1 78 TYR HB3 . . 3.590 2.740 1.919 3.023 . 0 0 "[ . 1 . 2]" 1
1445 1 78 TYR H 1 78 TYR QD . . 4.070 3.828 3.368 4.029 . 0 0 "[ . 1 . 2]" 1
1446 1 78 TYR HA 1 78 TYR QD . . 3.270 2.641 1.985 3.345 0.075 20 0 "[ . 1 . 2]" 1
1447 1 78 TYR HA 1 79 ARG H . . 3.640 2.295 2.188 3.558 . 0 0 "[ . 1 . 2]" 1
1448 1 78 TYR HB2 1 84 VAL HB . . 4.610 3.795 3.211 4.058 . 0 0 "[ . 1 . 2]" 1
1449 1 78 TYR HB2 1 84 VAL MG1 . . 4.290 3.470 3.197 3.787 . 0 0 "[ . 1 . 2]" 1
1450 1 78 TYR HB2 1 84 VAL MG2 . . 4.850 4.684 4.219 4.879 0.029 15 0 "[ . 1 . 2]" 1
1451 1 78 TYR HB2 1 96 LEU QD . . 4.470 3.809 3.542 4.006 . 0 0 "[ . 1 . 2]" 1
1452 1 78 TYR HB3 1 84 VAL HB . . 4.570 3.092 2.198 3.620 . 0 0 "[ . 1 . 2]" 1
1453 1 78 TYR HB3 1 84 VAL MG1 . . 4.340 3.654 3.189 4.127 . 0 0 "[ . 1 . 2]" 1
1454 1 78 TYR HB3 1 84 VAL MG2 . . 4.260 3.848 3.209 4.237 . 0 0 "[ . 1 . 2]" 1
1455 1 78 TYR QD 1 79 ARG H . . 4.380 3.303 2.202 4.386 0.006 13 0 "[ . 1 . 2]" 1
1456 1 78 TYR QD 1 80 LYS HB2 . . 3.840 3.357 2.570 3.962 0.122 9 0 "[ . 1 . 2]" 1
1457 1 78 TYR QD 1 81 ARG HB2 . . 3.410 3.149 2.660 3.427 0.017 9 0 "[ . 1 . 2]" 1
1458 1 78 TYR QD 1 84 VAL HB . . 3.490 3.166 2.450 3.498 0.008 5 0 "[ . 1 . 2]" 1
1459 1 78 TYR QD 1 84 VAL MG1 . . 3.640 2.704 1.852 3.506 . 0 0 "[ . 1 . 2]" 1
1460 1 78 TYR QD 1 84 VAL MG2 . . 3.280 3.013 2.758 3.347 0.067 9 0 "[ . 1 . 2]" 1
1461 1 78 TYR QD 1 96 LEU QD . . 3.890 2.895 2.594 3.255 . 0 0 "[ . 1 . 2]" 1
1462 1 78 TYR QE 1 80 LYS HB2 . . 3.350 2.639 1.994 3.334 . 0 0 "[ . 1 . 2]" 1
1463 1 78 TYR QE 1 80 LYS HB3 . . 4.050 3.144 2.361 4.112 0.062 9 0 "[ . 1 . 2]" 1
1464 1 78 TYR QE 1 80 LYS QG . . 4.570 4.149 3.241 4.550 . 0 0 "[ . 1 . 2]" 1
1465 1 78 TYR QE 1 81 ARG H . . 3.650 2.313 1.940 3.426 . 0 0 "[ . 1 . 2]" 1
1466 1 78 TYR QE 1 81 ARG HB2 . . 3.190 2.431 1.988 3.178 . 0 0 "[ . 1 . 2]" 1
1467 1 78 TYR QE 1 81 ARG HB3 . . 4.560 3.854 3.487 4.247 . 0 0 "[ . 1 . 2]" 1
1468 1 78 TYR QE 1 81 ARG HD3 . . 4.570 3.818 2.086 5.056 0.486 19 0 "[ . 1 . 2]" 1
1469 1 78 TYR QE 1 81 ARG QG . . 3.880 2.975 1.927 3.879 . 0 0 "[ . 1 . 2]" 1
1470 1 78 TYR QE 1 84 VAL MG1 . . 4.410 3.167 2.270 4.113 . 0 0 "[ . 1 . 2]" 1
1471 1 78 TYR QE 1 84 VAL MG2 . . 3.570 3.316 2.974 3.584 0.014 20 0 "[ . 1 . 2]" 1
1472 1 78 TYR QE 1 96 LEU QD . . 3.710 2.886 2.505 3.480 . 0 0 "[ . 1 . 2]" 1
1473 1 79 ARG H 1 79 ARG QG . . 4.080 3.406 2.117 4.083 0.003 11 0 "[ . 1 . 2]" 1
1474 1 79 ARG H 1 80 LYS H . . 4.930 3.166 1.895 4.580 . 0 0 "[ . 1 . 2]" 1
1475 1 79 ARG H 1 80 LYS QG . . 4.910 4.481 3.728 4.913 0.003 19 0 "[ . 1 . 2]" 1
1476 1 79 ARG HA 1 79 ARG QD . . 4.040 3.688 2.695 4.043 0.003 3 0 "[ . 1 . 2]" 1
1477 1 79 ARG HA 1 79 ARG QG . . 3.370 2.377 2.001 3.366 . 0 0 "[ . 1 . 2]" 1
1478 1 79 ARG HB2 1 79 ARG QD . . 3.770 2.634 1.970 3.314 . 0 0 "[ . 1 . 2]" 1
1479 1 80 LYS H 1 80 LYS QG . . 4.250 3.228 2.094 4.123 . 0 0 "[ . 1 . 2]" 1
1480 1 80 LYS HA 1 80 LYS QD . . 4.090 3.002 2.086 4.064 . 0 0 "[ . 1 . 2]" 1
1481 1 80 LYS HA 1 80 LYS QG . . 3.150 2.263 1.978 2.980 . 0 0 "[ . 1 . 2]" 1
1482 1 80 LYS HB2 1 81 ARG H . . 4.550 2.554 1.914 3.087 . 0 0 "[ . 1 . 2]" 1
1483 1 80 LYS HB3 1 81 ARG H . . 4.690 2.733 2.194 3.364 . 0 0 "[ . 1 . 2]" 1
1484 1 81 ARG H 1 81 ARG QG . . 4.340 2.862 1.924 3.698 . 0 0 "[ . 1 . 2]" 1
1485 1 81 ARG HA 1 81 ARG QG . . 3.360 2.394 2.071 3.072 . 0 0 "[ . 1 . 2]" 1
1486 1 81 ARG HA 1 82 LYS H . . 3.090 2.494 2.226 2.792 . 0 0 "[ . 1 . 2]" 1
1487 1 81 ARG HB2 1 84 VAL MG2 . . 3.940 2.367 1.948 3.015 . 0 0 "[ . 1 . 2]" 1
1488 1 81 ARG HB3 1 81 ARG HD2 . . 3.700 3.127 2.253 3.728 0.028 4 0 "[ . 1 . 2]" 1
1489 1 81 ARG HB3 1 81 ARG HD3 . . 3.820 2.901 2.072 3.820 . 0 0 "[ . 1 . 2]" 1
1490 1 81 ARG HB3 1 82 LYS H . . 4.280 2.657 2.039 3.664 . 0 0 "[ . 1 . 2]" 1
1491 1 81 ARG HB3 1 84 VAL MG2 . . 3.430 2.394 1.833 3.055 . 0 0 "[ . 1 . 2]" 1
1492 1 81 ARG HB3 1 98 GLN HE21 . . 5.130 2.639 1.972 3.755 . 0 0 "[ . 1 . 2]" 1
1493 1 81 ARG HB3 1 98 GLN HE22 . . 4.550 3.322 2.637 4.213 . 0 0 "[ . 1 . 2]" 1
1494 1 81 ARG HD2 1 98 GLN HE22 . . 5.020 4.302 2.741 5.321 0.301 8 0 "[ . 1 . 2]" 1
1495 1 81 ARG QG 1 82 LYS H . . 4.620 3.831 2.816 4.423 . 0 0 "[ . 1 . 2]" 1
1496 1 81 ARG QG 1 84 VAL MG2 . . 4.280 3.673 3.239 4.247 . 0 0 "[ . 1 . 2]" 1
1497 1 81 ARG QG 1 98 GLN HE21 . . 5.110 3.589 2.797 4.941 . 0 0 "[ . 1 . 2]" 1
1498 1 81 ARG QG 1 98 GLN HE22 . . 4.700 3.142 2.094 4.690 . 0 0 "[ . 1 . 2]" 1
1499 1 82 LYS H 1 82 LYS HB2 . . 3.570 2.430 2.156 2.710 . 0 0 "[ . 1 . 2]" 1
1500 1 82 LYS H 1 82 LYS QD . . 4.200 3.971 3.210 4.211 0.011 7 0 "[ . 1 . 2]" 1
1501 1 82 LYS H 1 82 LYS HG3 . . 3.670 3.262 2.664 3.686 0.016 16 0 "[ . 1 . 2]" 1
1502 1 82 LYS H 1 83 HIS HD2 . . 4.770 4.072 3.549 4.514 . 0 0 "[ . 1 . 2]" 1
1503 1 82 LYS H 1 84 VAL MG2 . . 4.670 3.454 2.972 3.886 . 0 0 "[ . 1 . 2]" 1
1504 1 82 LYS H 1 98 GLN HE21 . . 5.030 2.755 2.286 3.151 . 0 0 "[ . 1 . 2]" 1
1505 1 82 LYS H 1 98 GLN HE22 . . 4.760 3.820 3.088 4.340 . 0 0 "[ . 1 . 2]" 1
1506 1 82 LYS HA 1 82 LYS QD . . 4.070 3.823 2.351 4.046 . 0 0 "[ . 1 . 2]" 1
1507 1 82 LYS HA 1 82 LYS HG2 . . 3.300 2.573 2.310 3.011 . 0 0 "[ . 1 . 2]" 1
1508 1 82 LYS HA 1 82 LYS HG3 . . 3.720 2.668 2.215 3.636 . 0 0 "[ . 1 . 2]" 1
1509 1 82 LYS HA 1 83 HIS H . . 2.930 2.442 2.331 2.601 . 0 0 "[ . 1 . 2]" 1
1510 1 82 LYS HA 1 84 VAL MG2 . . 4.360 3.537 3.231 3.825 . 0 0 "[ . 1 . 2]" 1
1511 1 82 LYS HB2 1 82 LYS QD . . 3.710 2.361 2.034 3.358 . 0 0 "[ . 1 . 2]" 1
1512 1 82 LYS HB2 1 83 HIS H . . 4.050 3.906 3.615 4.067 0.017 17 0 "[ . 1 . 2]" 1
1513 1 82 LYS HB2 1 83 HIS HD2 . . 3.880 3.437 2.537 3.788 . 0 0 "[ . 1 . 2]" 1
1514 1 82 LYS HB3 1 82 LYS QD . . 3.550 2.576 2.116 2.947 . 0 0 "[ . 1 . 2]" 1
1515 1 82 LYS HB3 1 83 HIS H . . 3.670 2.600 2.238 2.852 . 0 0 "[ . 1 . 2]" 1
1516 1 82 LYS HB3 1 83 HIS HD2 . . 4.200 3.696 2.307 4.178 . 0 0 "[ . 1 . 2]" 1
1517 1 82 LYS QD 1 83 HIS H . . 4.970 4.633 2.490 4.983 0.013 10 0 "[ . 1 . 2]" 1
1518 1 82 LYS HG2 1 83 HIS H . . 4.490 3.834 3.198 4.507 0.017 7 0 "[ . 1 . 2]" 1
1519 1 82 LYS HG3 1 83 HIS H . . 4.740 4.571 4.179 4.752 0.012 7 0 "[ . 1 . 2]" 1
1520 1 83 HIS H 1 83 HIS HD2 . . 4.570 4.376 3.538 4.604 0.034 9 0 "[ . 1 . 2]" 1
1521 1 83 HIS H 1 84 VAL H . . 3.750 3.073 2.769 3.418 . 0 0 "[ . 1 . 2]" 1
1522 1 83 HIS H 1 84 VAL MG2 . . 4.740 3.958 3.686 4.198 . 0 0 "[ . 1 . 2]" 1
1523 1 83 HIS HA 1 84 VAL H . . 3.640 2.515 2.358 2.640 . 0 0 "[ . 1 . 2]" 1
1524 1 83 HIS HA 1 105 MET ME . . 3.490 3.404 2.961 3.531 0.041 12 0 "[ . 1 . 2]" 1
1525 1 83 HIS HB2 1 83 HIS HD2 . . 3.390 2.956 2.756 3.949 0.559 14 3 "[ . 1 *+. -2]" 1
1526 1 83 HIS HB2 1 99 ALA H . . 4.310 3.126 2.609 3.765 . 0 0 "[ . 1 . 2]" 1
1527 1 83 HIS HB2 1 99 ALA MB . . 3.690 2.431 1.981 2.860 . 0 0 "[ . 1 . 2]" 1
1528 1 83 HIS HB2 1 105 MET HB2 . . 4.560 2.955 2.230 3.887 . 0 0 "[ . 1 . 2]" 1
1529 1 83 HIS HB3 1 83 HIS HD2 . . 3.890 3.720 2.863 3.907 0.017 18 0 "[ . 1 . 2]" 1
1530 1 83 HIS HB3 1 84 VAL H . . 5.230 4.531 4.346 4.693 . 0 0 "[ . 1 . 2]" 1
1531 1 83 HIS HB3 1 84 VAL MG2 . . 5.400 5.014 4.904 5.174 . 0 0 "[ . 1 . 2]" 1
1532 1 83 HIS HB3 1 99 ALA MB . . 3.560 3.209 2.588 3.581 0.021 20 0 "[ . 1 . 2]" 1
1533 1 83 HIS HB3 1 105 MET HB2 . . 4.080 2.782 2.400 3.717 . 0 0 "[ . 1 . 2]" 1
1534 1 83 HIS HB3 1 105 MET HB3 . . 4.220 3.603 3.179 4.612 0.392 19 0 "[ . 1 . 2]" 1
1535 1 83 HIS HB3 1 105 MET ME . . 4.220 4.230 3.956 4.538 0.318 19 0 "[ . 1 . 2]" 1
1536 1 83 HIS HD2 1 84 VAL MG2 . . 4.590 4.527 4.196 4.829 0.239 14 0 "[ . 1 . 2]" 1
1537 1 83 HIS HD2 1 98 GLN HG2 . . 4.500 3.949 3.276 4.644 0.144 19 0 "[ . 1 . 2]" 1
1538 1 83 HIS HD2 1 100 LYS HA . . 4.460 4.195 3.549 4.637 0.177 19 0 "[ . 1 . 2]" 1
1539 1 83 HIS HD2 1 101 ASP H . . 4.690 4.509 3.994 4.751 0.061 14 0 "[ . 1 . 2]" 1
1540 1 83 HIS HD2 1 101 ASP HA . . 3.760 3.096 2.815 3.581 . 0 0 "[ . 1 . 2]" 1
1541 1 84 VAL H 1 84 VAL HB . . 3.240 2.643 2.545 2.744 . 0 0 "[ . 1 . 2]" 1
1542 1 84 VAL H 1 84 VAL MG1 . . 4.210 3.832 3.780 3.876 . 0 0 "[ . 1 . 2]" 1
1543 1 84 VAL H 1 84 VAL MG2 . . 3.270 2.944 2.749 3.070 . 0 0 "[ . 1 . 2]" 1
1544 1 84 VAL H 1 105 MET ME . . 4.220 3.911 3.472 4.242 0.022 16 0 "[ . 1 . 2]" 1
1545 1 84 VAL HA 1 84 VAL MG1 . . 3.230 2.394 2.284 2.513 . 0 0 "[ . 1 . 2]" 1
1546 1 84 VAL HA 1 84 VAL MG2 . . 3.160 2.362 2.219 2.487 . 0 0 "[ . 1 . 2]" 1
1547 1 84 VAL HA 1 85 PHE H . . 2.970 2.223 2.182 2.278 . 0 0 "[ . 1 . 2]" 1
1548 1 84 VAL HA 1 85 PHE QD . . 3.510 2.800 2.580 3.543 0.033 15 0 "[ . 1 . 2]" 1
1549 1 84 VAL HA 1 98 GLN HA . . 3.370 2.366 2.132 2.601 . 0 0 "[ . 1 . 2]" 1
1550 1 84 VAL HA 1 99 ALA H . . 3.940 3.100 2.653 3.757 . 0 0 "[ . 1 . 2]" 1
1551 1 84 VAL HB 1 96 LEU QD . . 4.630 4.424 4.247 4.498 . 0 0 "[ . 1 . 2]" 1
1552 1 84 VAL MG1 1 85 PHE H . . 3.350 2.502 2.114 2.912 . 0 0 "[ . 1 . 2]" 1
1553 1 84 VAL MG1 1 85 PHE QD . . 4.510 4.002 3.683 4.514 0.004 15 0 "[ . 1 . 2]" 1
1554 1 84 VAL MG1 1 96 LEU HA . . 3.800 3.737 3.517 3.826 0.026 12 0 "[ . 1 . 2]" 1
1555 1 84 VAL MG1 1 96 LEU HB3 . . 3.420 3.089 2.782 3.276 . 0 0 "[ . 1 . 2]" 1
1556 1 84 VAL MG1 1 96 LEU QD . . 3.150 2.408 2.186 2.543 . 0 0 "[ . 1 . 2]" 1
1557 1 84 VAL MG1 1 97 PHE H . . 3.610 3.195 2.861 3.616 0.006 13 0 "[ . 1 . 2]" 1
1558 1 84 VAL MG1 1 97 PHE HA . . 4.690 4.292 3.955 4.658 . 0 0 "[ . 1 . 2]" 1
1559 1 84 VAL MG1 1 98 GLN HA . . 4.270 3.073 2.453 3.742 . 0 0 "[ . 1 . 2]" 1
1560 1 84 VAL MG2 1 85 PHE H . . 4.040 4.044 3.895 4.193 0.153 13 0 "[ . 1 . 2]" 1
1561 1 84 VAL MG2 1 98 GLN HA . . 3.440 2.331 1.993 2.913 . 0 0 "[ . 1 . 2]" 1
1562 1 84 VAL MG2 1 98 GLN HB2 . . 2.960 2.202 1.944 3.071 0.111 14 0 "[ . 1 . 2]" 1
1563 1 84 VAL MG2 1 98 GLN HB3 . . 4.160 3.543 3.260 4.089 . 0 0 "[ . 1 . 2]" 1
1564 1 84 VAL MG2 1 98 GLN HE21 . . 4.820 3.415 2.850 3.792 . 0 0 "[ . 1 . 2]" 1
1565 1 84 VAL MG2 1 98 GLN HG2 . . 3.670 2.908 2.450 3.224 . 0 0 "[ . 1 . 2]" 1
1566 1 84 VAL MG2 1 98 GLN HG3 . . 3.460 1.847 1.750 1.916 . 0 0 "[ . 1 . 2]" 1
1567 1 84 VAL MG2 1 99 ALA H . . 4.100 3.527 3.005 4.114 0.014 14 0 "[ . 1 . 2]" 1
1568 1 85 PHE H 1 85 PHE QD . . 3.390 2.020 1.930 2.673 . 0 0 "[ . 1 . 2]" 1
1569 1 85 PHE H 1 96 LEU HA . . 4.910 4.747 4.582 4.940 0.030 12 0 "[ . 1 . 2]" 1
1570 1 85 PHE H 1 97 PHE H . . 4.020 3.267 3.055 3.567 . 0 0 "[ . 1 . 2]" 1
1571 1 85 PHE H 1 98 GLN HA . . 4.410 3.776 3.507 3.953 . 0 0 "[ . 1 . 2]" 1
1572 1 85 PHE HA 1 85 PHE QD . . 4.200 3.701 3.669 3.759 . 0 0 "[ . 1 . 2]" 1
1573 1 85 PHE HA 1 86 LYS H . . 3.180 2.282 2.230 2.345 . 0 0 "[ . 1 . 2]" 1
1574 1 85 PHE HA 1 96 LEU QD . . 4.770 4.182 4.005 4.369 . 0 0 "[ . 1 . 2]" 1
1575 1 85 PHE HA 1 105 MET ME . . 4.750 4.096 3.230 4.331 . 0 0 "[ . 1 . 2]" 1
1576 1 85 PHE HA 1 109 LEU QD . . 4.400 3.882 3.792 4.072 . 0 0 "[ . 1 . 2]" 1
1577 1 85 PHE HB2 1 86 LYS H . . 3.630 3.068 2.862 3.278 . 0 0 "[ . 1 . 2]" 1
1578 1 85 PHE HB2 1 109 LEU QD . . 3.220 2.009 1.911 2.176 . 0 0 "[ . 1 . 2]" 1
1579 1 85 PHE HB2 1 109 LEU HG . . 4.820 3.679 3.556 3.810 . 0 0 "[ . 1 . 2]" 1
1580 1 85 PHE HB3 1 86 LYS H . . 4.240 4.113 3.987 4.239 . 0 0 "[ . 1 . 2]" 1
1581 1 85 PHE HB3 1 105 MET ME . . 4.200 2.767 2.155 3.011 . 0 0 "[ . 1 . 2]" 1
1582 1 85 PHE HB3 1 105 MET HG2 . . 4.350 2.810 2.431 3.136 . 0 0 "[ . 1 . 2]" 1
1583 1 85 PHE HB3 1 105 MET HG3 . . 4.120 3.385 2.075 3.825 . 0 0 "[ . 1 . 2]" 1
1584 1 85 PHE HB3 1 109 LEU QD . . 3.580 2.292 1.946 2.499 . 0 0 "[ . 1 . 2]" 1
1585 1 85 PHE HB3 1 109 LEU HG . . 4.700 3.615 3.505 3.755 . 0 0 "[ . 1 . 2]" 1
1586 1 85 PHE QD 1 86 LYS H . . 4.560 4.243 4.040 4.400 . 0 0 "[ . 1 . 2]" 1
1587 1 85 PHE QD 1 87 LEU HB2 . . 4.240 3.265 2.873 3.448 . 0 0 "[ . 1 . 2]" 1
1588 1 85 PHE QD 1 87 LEU MD1 . . 4.660 4.089 3.944 4.330 . 0 0 "[ . 1 . 2]" 1
1589 1 85 PHE QD 1 87 LEU MD2 . . 4.590 4.659 4.609 4.701 0.111 12 0 "[ . 1 . 2]" 1
1590 1 85 PHE QD 1 97 PHE QD . . 4.050 3.807 3.491 4.054 0.004 8 0 "[ . 1 . 2]" 1
1591 1 85 PHE QD 1 99 ALA H . . 4.130 3.548 3.089 3.783 . 0 0 "[ . 1 . 2]" 1
1592 1 85 PHE QD 1 99 ALA MB . . 4.100 3.462 2.972 3.786 . 0 0 "[ . 1 . 2]" 1
1593 1 85 PHE QD 1 105 MET HA . . 4.150 3.884 3.318 4.183 0.033 19 0 "[ . 1 . 2]" 1
1594 1 85 PHE QD 1 105 MET ME . . 4.200 3.869 3.479 4.116 . 0 0 "[ . 1 . 2]" 1
1595 1 85 PHE QD 1 105 MET HG2 . . 3.770 2.536 1.997 3.327 . 0 0 "[ . 1 . 2]" 1
1596 1 85 PHE QD 1 105 MET HG3 . . 3.290 2.153 1.972 2.903 . 0 0 "[ . 1 . 2]" 1
1597 1 85 PHE QD 1 109 LEU QD . . 3.450 2.111 2.035 2.286 . 0 0 "[ . 1 . 2]" 1
1598 1 85 PHE QD 1 109 LEU HG . . 4.300 4.426 4.371 4.462 0.162 16 0 "[ . 1 . 2]" 1
1599 1 85 PHE QE 1 87 LEU HB2 . . 4.420 3.399 2.731 3.660 . 0 0 "[ . 1 . 2]" 1
1600 1 85 PHE QE 1 87 LEU MD1 . . 4.460 4.098 3.692 4.337 . 0 0 "[ . 1 . 2]" 1
1601 1 85 PHE QE 1 97 PHE H . . 5.290 4.359 3.986 4.448 . 0 0 "[ . 1 . 2]" 1
1602 1 85 PHE QE 1 97 PHE HB2 . . 4.330 2.730 2.576 2.804 . 0 0 "[ . 1 . 2]" 1
1603 1 85 PHE QE 1 97 PHE HB3 . . 4.310 2.924 2.516 3.459 . 0 0 "[ . 1 . 2]" 1
1604 1 85 PHE QE 1 97 PHE QD . . 3.820 3.102 2.533 3.323 . 0 0 "[ . 1 . 2]" 1
1605 1 85 PHE QE 1 99 ALA H . . 4.740 3.210 2.656 3.598 . 0 0 "[ . 1 . 2]" 1
1606 1 85 PHE QE 1 99 ALA MB . . 3.730 2.655 2.197 3.043 . 0 0 "[ . 1 . 2]" 1
1607 1 85 PHE QE 1 105 MET HA . . 4.280 3.520 2.856 3.821 . 0 0 "[ . 1 . 2]" 1
1608 1 85 PHE QE 1 108 TRP HB2 . . 4.250 3.795 3.178 3.932 . 0 0 "[ . 1 . 2]" 1
1609 1 85 PHE QE 1 108 TRP HB3 . . 4.020 3.216 3.078 3.397 . 0 0 "[ . 1 . 2]" 1
1610 1 85 PHE QE 1 108 TRP HD1 . . 4.770 3.798 3.380 3.974 . 0 0 "[ . 1 . 2]" 1
1611 1 85 PHE QE 1 109 LEU QD . . 3.860 3.103 2.967 3.157 . 0 0 "[ . 1 . 2]" 1
1612 1 85 PHE QE 1 112 VAL MG1 . . 4.730 4.209 4.057 4.429 . 0 0 "[ . 1 . 2]" 1
1613 1 85 PHE QE 1 112 VAL MG2 . . 3.950 3.046 2.872 3.479 . 0 0 "[ . 1 . 2]" 1
1614 1 85 PHE HZ 1 97 PHE HB2 . . 4.970 2.628 2.503 2.759 . 0 0 "[ . 1 . 2]" 1
1615 1 85 PHE HZ 1 108 TRP HB3 . . 4.370 3.221 2.826 3.405 . 0 0 "[ . 1 . 2]" 1
1616 1 85 PHE HZ 1 109 LEU QD . . 4.970 4.087 3.883 4.204 . 0 0 "[ . 1 . 2]" 1
1617 1 85 PHE HZ 1 112 VAL MG2 . . 4.620 4.223 4.006 4.418 . 0 0 "[ . 1 . 2]" 1
1618 1 86 LYS H 1 86 LYS HB2 . . 3.850 2.791 2.647 2.968 . 0 0 "[ . 1 . 2]" 1
1619 1 86 LYS H 1 86 LYS HB3 . . 3.630 2.425 2.320 2.499 . 0 0 "[ . 1 . 2]" 1
1620 1 86 LYS H 1 86 LYS QG . . 4.370 3.946 3.868 3.981 . 0 0 "[ . 1 . 2]" 1
1621 1 86 LYS H 1 96 LEU QD . . 4.740 3.616 3.461 3.759 . 0 0 "[ . 1 . 2]" 1
1622 1 86 LYS H 1 109 LEU QD . . 4.430 4.129 4.065 4.263 . 0 0 "[ . 1 . 2]" 1
1623 1 86 LYS HA 1 86 LYS QD . . 4.660 4.172 4.128 4.232 . 0 0 "[ . 1 . 2]" 1
1624 1 86 LYS HA 1 86 LYS QG . . 3.460 2.411 2.351 2.528 . 0 0 "[ . 1 . 2]" 1
1625 1 86 LYS HA 1 87 LEU H . . 2.910 2.243 2.176 2.363 . 0 0 "[ . 1 . 2]" 1
1626 1 86 LYS HA 1 87 LEU HB3 . . 4.570 4.383 4.327 4.454 . 0 0 "[ . 1 . 2]" 1
1627 1 86 LYS HA 1 96 LEU HA . . 3.380 2.675 2.595 2.778 . 0 0 "[ . 1 . 2]" 1
1628 1 86 LYS HA 1 96 LEU QD . . 3.290 2.010 1.925 2.254 . 0 0 "[ . 1 . 2]" 1
1629 1 86 LYS HA 1 97 PHE H . . 4.030 3.691 3.518 3.882 . 0 0 "[ . 1 . 2]" 1
1630 1 86 LYS HB2 1 86 LYS QE . . 4.190 2.463 2.000 2.965 . 0 0 "[ . 1 . 2]" 1
1631 1 86 LYS HB2 1 96 LEU QD . . 3.100 2.069 1.909 2.190 . 0 0 "[ . 1 . 2]" 1
1632 1 86 LYS HB3 1 86 LYS QD . . 3.600 2.373 2.289 2.511 . 0 0 "[ . 1 . 2]" 1
1633 1 86 LYS HB3 1 86 LYS QE . . 3.710 3.485 3.087 3.737 0.027 7 0 "[ . 1 . 2]" 1
1634 1 86 LYS HB3 1 87 LEU H . . 4.550 4.184 3.890 4.455 . 0 0 "[ . 1 . 2]" 1
1635 1 86 LYS HB3 1 96 LEU QD . . 3.490 3.435 3.253 3.495 0.005 10 0 "[ . 1 . 2]" 1
1636 1 86 LYS QD 1 94 GLU QB . . 4.040 3.440 2.633 4.046 0.006 9 0 "[ . 1 . 2]" 1
1637 1 86 LYS QD 1 94 GLU QG . . 4.150 2.212 1.992 2.507 . 0 0 "[ . 1 . 2]" 1
1638 1 86 LYS QD 1 96 LEU QD . . 3.810 3.504 3.334 3.618 . 0 0 "[ . 1 . 2]" 1
1639 1 86 LYS QE 1 86 LYS QG . . 3.270 2.182 1.951 2.340 . 0 0 "[ . 1 . 2]" 1
1640 1 86 LYS QE 1 94 GLU QG . . 4.700 3.105 1.977 4.511 . 0 0 "[ . 1 . 2]" 1
1641 1 86 LYS QE 1 96 LEU QD . . 3.780 2.205 1.914 2.589 . 0 0 "[ . 1 . 2]" 1
1642 1 86 LYS QG 1 87 LEU H . . 3.750 2.533 2.099 3.032 . 0 0 "[ . 1 . 2]" 1
1643 1 86 LYS QG 1 87 LEU HA . . 4.780 3.791 3.560 4.178 . 0 0 "[ . 1 . 2]" 1
1644 1 86 LYS QG 1 88 GLY H . . 5.110 3.666 3.412 4.018 . 0 0 "[ . 1 . 2]" 1
1645 1 86 LYS QG 1 94 GLU QG . . 4.550 2.501 2.020 3.216 . 0 0 "[ . 1 . 2]" 1
1646 1 86 LYS QG 1 95 TYR H . . 4.910 3.295 2.860 3.829 . 0 0 "[ . 1 . 2]" 1
1647 1 86 LYS QG 1 96 LEU HA . . 4.850 3.840 3.633 4.090 . 0 0 "[ . 1 . 2]" 1
1648 1 86 LYS QG 1 96 LEU QD . . 2.760 2.369 1.985 2.698 . 0 0 "[ . 1 . 2]" 1
1649 1 87 LEU H 1 87 LEU HB2 . . 3.800 3.128 2.910 3.314 . 0 0 "[ . 1 . 2]" 1
1650 1 87 LEU H 1 87 LEU HB3 . . 3.670 2.504 2.292 2.720 . 0 0 "[ . 1 . 2]" 1
1651 1 87 LEU H 1 87 LEU MD2 . . 4.630 4.386 4.194 4.569 . 0 0 "[ . 1 . 2]" 1
1652 1 87 LEU H 1 95 TYR HB2 . . 4.920 3.384 3.017 3.659 . 0 0 "[ . 1 . 2]" 1
1653 1 87 LEU H 1 96 LEU HA . . 4.360 3.601 3.236 3.773 . 0 0 "[ . 1 . 2]" 1
1654 1 87 LEU H 1 96 LEU QD . . 4.250 3.560 3.290 3.770 . 0 0 "[ . 1 . 2]" 1
1655 1 87 LEU H 1 97 PHE QD . . 4.370 3.792 3.078 4.254 . 0 0 "[ . 1 . 2]" 1
1656 1 87 LEU H 1 97 PHE QE . . 4.410 4.097 3.782 4.376 . 0 0 "[ . 1 . 2]" 1
1657 1 87 LEU HA 1 87 LEU MD1 . . 2.980 2.307 2.059 2.417 . 0 0 "[ . 1 . 2]" 1
1658 1 87 LEU HA 1 87 LEU MD2 . . 4.490 3.947 3.912 3.971 . 0 0 "[ . 1 . 2]" 1
1659 1 87 LEU HA 1 87 LEU HG . . 3.950 3.158 3.115 3.196 . 0 0 "[ . 1 . 2]" 1
1660 1 87 LEU HA 1 88 GLY H . . 2.920 2.205 2.178 2.229 . 0 0 "[ . 1 . 2]" 1
1661 1 87 LEU HA 1 88 GLY HA3 . . 4.590 4.417 4.378 4.441 . 0 0 "[ . 1 . 2]" 1
1662 1 87 LEU HB2 1 87 LEU MD1 . . 3.070 2.280 2.200 2.413 . 0 0 "[ . 1 . 2]" 1
1663 1 87 LEU HB2 1 87 LEU MD2 . . 3.430 2.417 2.352 2.444 . 0 0 "[ . 1 . 2]" 1
1664 1 87 LEU HB2 1 88 GLY H . . 4.600 4.448 4.362 4.496 . 0 0 "[ . 1 . 2]" 1
1665 1 87 LEU HB2 1 95 TYR H . . 4.800 4.790 4.640 4.921 0.121 20 0 "[ . 1 . 2]" 1
1666 1 87 LEU HB2 1 95 TYR HB2 . . 4.540 4.076 3.867 4.358 . 0 0 "[ . 1 . 2]" 1
1667 1 87 LEU HB2 1 97 PHE QD . . 3.940 3.101 2.735 3.266 . 0 0 "[ . 1 . 2]" 1
1668 1 87 LEU HB2 1 97 PHE QE . . 3.460 3.213 3.057 3.355 . 0 0 "[ . 1 . 2]" 1
1669 1 87 LEU HB3 1 87 LEU MD1 . . 3.550 3.208 3.195 3.218 . 0 0 "[ . 1 . 2]" 1
1670 1 87 LEU HB3 1 87 LEU MD2 . . 3.170 2.305 2.273 2.348 . 0 0 "[ . 1 . 2]" 1
1671 1 87 LEU HB3 1 88 GLY H . . 4.630 4.560 4.485 4.615 . 0 0 "[ . 1 . 2]" 1
1672 1 87 LEU HB3 1 95 TYR H . . 4.080 3.323 3.239 3.462 . 0 0 "[ . 1 . 2]" 1
1673 1 87 LEU HB3 1 95 TYR HB2 . . 3.930 2.338 2.131 2.639 . 0 0 "[ . 1 . 2]" 1
1674 1 87 LEU HB3 1 95 TYR HB3 . . 4.640 3.609 3.328 4.124 . 0 0 "[ . 1 . 2]" 1
1675 1 87 LEU HB3 1 95 TYR QD . . 3.870 3.783 3.501 3.884 0.014 18 0 "[ . 1 . 2]" 1
1676 1 87 LEU HB3 1 97 PHE QD . . 4.050 2.941 2.386 3.157 . 0 0 "[ . 1 . 2]" 1
1677 1 87 LEU HB3 1 97 PHE QE . . 3.220 2.089 1.970 2.207 . 0 0 "[ . 1 . 2]" 1
1678 1 87 LEU MD1 1 88 GLY H . . 3.380 3.056 2.816 3.210 . 0 0 "[ . 1 . 2]" 1
1679 1 87 LEU MD1 1 88 GLY HA3 . . 4.820 4.796 4.669 4.853 0.033 13 0 "[ . 1 . 2]" 1
1680 1 87 LEU MD1 1 97 PHE QD . . 4.820 4.764 4.451 4.864 0.044 10 0 "[ . 1 . 2]" 1
1681 1 87 LEU MD1 1 97 PHE QE . . 4.320 4.256 4.009 4.351 0.031 3 0 "[ . 1 . 2]" 1
1682 1 87 LEU MD2 1 89 LEU MD1 . . 3.920 3.878 3.713 4.104 0.184 20 0 "[ . 1 . 2]" 1
1683 1 87 LEU MD2 1 89 LEU MD2 . . 3.340 2.495 2.378 2.718 . 0 0 "[ . 1 . 2]" 1
1684 1 87 LEU MD2 1 89 LEU HG . . 4.240 4.268 4.070 4.302 0.062 11 0 "[ . 1 . 2]" 1
1685 1 87 LEU MD2 1 95 TYR H . . 4.790 4.540 4.156 4.817 0.027 14 0 "[ . 1 . 2]" 1
1686 1 87 LEU MD2 1 95 TYR HB2 . . 4.740 3.091 2.757 3.326 . 0 0 "[ . 1 . 2]" 1
1687 1 87 LEU MD2 1 95 TYR QD . . 3.650 3.198 2.812 3.366 . 0 0 "[ . 1 . 2]" 1
1688 1 87 LEU MD2 1 97 PHE QD . . 3.670 3.355 3.039 3.563 . 0 0 "[ . 1 . 2]" 1
1689 1 87 LEU MD2 1 97 PHE QE . . 3.160 2.077 1.805 2.301 . 0 0 "[ . 1 . 2]" 1
1690 1 87 LEU MD2 1 97 PHE HZ . . 3.980 3.173 2.883 3.359 . 0 0 "[ . 1 . 2]" 1
1691 1 87 LEU HG 1 88 GLY H . . 4.260 3.797 3.510 3.942 . 0 0 "[ . 1 . 2]" 1
1692 1 87 LEU HG 1 89 LEU MD2 . . 3.710 2.126 1.973 2.328 . 0 0 "[ . 1 . 2]" 1
1693 1 87 LEU HG 1 97 PHE QE . . 3.880 3.765 3.405 3.894 0.014 1 0 "[ . 1 . 2]" 1
1694 1 88 GLY H 1 89 LEU H . . 4.750 4.371 4.307 4.417 . 0 0 "[ . 1 . 2]" 1
1695 1 88 GLY HA2 1 89 LEU H . . 3.230 2.206 2.204 2.210 . 0 0 "[ . 1 . 2]" 1
1696 1 88 GLY HA2 1 89 LEU MD2 . . 4.330 3.650 3.344 4.033 . 0 0 "[ . 1 . 2]" 1
1697 1 88 GLY HA2 1 94 GLU HA . . 3.420 2.087 1.973 2.349 . 0 0 "[ . 1 . 2]" 1
1698 1 88 GLY HA2 1 94 GLU QB . . 4.360 3.774 3.473 3.925 . 0 0 "[ . 1 . 2]" 1
1699 1 88 GLY HA2 1 94 GLU QG . . 4.190 2.281 2.010 2.893 . 0 0 "[ . 1 . 2]" 1
1700 1 88 GLY HA3 1 89 LEU H . . 3.440 3.380 3.370 3.395 . 0 0 "[ . 1 . 2]" 1
1701 1 88 GLY HA3 1 89 LEU MD2 . . 4.800 4.458 4.250 4.832 0.032 20 0 "[ . 1 . 2]" 1
1702 1 88 GLY HA3 1 94 GLU HA . . 3.880 3.628 3.398 4.019 0.139 12 0 "[ . 1 . 2]" 1
1703 1 88 GLY HA3 1 94 GLU QB . . 4.580 4.585 4.489 4.652 0.072 16 0 "[ . 1 . 2]" 1
1704 1 88 GLY HA3 1 94 GLU QG . . 4.270 2.742 2.391 3.663 . 0 0 "[ . 1 . 2]" 1
1705 1 88 GLY HA3 1 95 TYR H . . 5.130 4.917 4.737 5.169 0.039 20 0 "[ . 1 . 2]" 1
1706 1 89 LEU H 1 89 LEU HB2 . . 3.420 2.475 2.319 2.573 . 0 0 "[ . 1 . 2]" 1
1707 1 89 LEU H 1 89 LEU HB3 . . 3.770 3.556 3.526 3.571 . 0 0 "[ . 1 . 2]" 1
1708 1 89 LEU H 1 89 LEU MD1 . . 4.140 3.913 3.834 4.017 . 0 0 "[ . 1 . 2]" 1
1709 1 89 LEU H 1 89 LEU MD2 . . 3.720 2.574 2.393 2.852 . 0 0 "[ . 1 . 2]" 1
1710 1 89 LEU H 1 90 GLN H . . 5.130 4.441 3.772 4.619 . 0 0 "[ . 1 . 2]" 1
1711 1 89 LEU H 1 92 GLY H . . 5.100 4.738 4.149 5.193 0.093 12 0 "[ . 1 . 2]" 1
1712 1 89 LEU H 1 93 LYS H . . 4.550 3.071 2.808 3.680 . 0 0 "[ . 1 . 2]" 1
1713 1 89 LEU H 1 94 GLU HA . . 4.040 3.214 2.912 3.444 . 0 0 "[ . 1 . 2]" 1
1714 1 89 LEU HA 1 89 LEU MD1 . . 3.790 3.629 3.540 3.716 . 0 0 "[ . 1 . 2]" 1
1715 1 89 LEU HA 1 89 LEU MD2 . . 3.040 1.996 1.892 2.099 . 0 0 "[ . 1 . 2]" 1
1716 1 89 LEU HA 1 89 LEU HG . . 3.980 3.477 3.347 3.565 . 0 0 "[ . 1 . 2]" 1
1717 1 89 LEU HA 1 90 GLN H . . 3.520 2.763 2.488 3.368 . 0 0 "[ . 1 . 2]" 1
1718 1 89 LEU HA 1 90 GLN HA . . 4.330 4.297 4.240 4.405 0.075 15 0 "[ . 1 . 2]" 1
1719 1 89 LEU HB2 1 89 LEU MD1 . . 3.240 2.567 2.474 2.631 . 0 0 "[ . 1 . 2]" 1
1720 1 89 LEU HB2 1 90 GLN H . . 3.930 3.055 2.142 3.463 . 0 0 "[ . 1 . 2]" 1
1721 1 89 LEU HB2 1 91 ASP H . . 4.360 2.775 2.449 3.483 . 0 0 "[ . 1 . 2]" 1
1722 1 89 LEU HB2 1 92 GLY H . . 4.630 3.893 3.309 4.391 . 0 0 "[ . 1 . 2]" 1
1723 1 89 LEU HB2 1 93 LYS H . . 3.870 2.372 2.114 3.022 . 0 0 "[ . 1 . 2]" 1
1724 1 89 LEU HB2 1 93 LYS HB3 . . 3.960 2.643 2.205 3.072 . 0 0 "[ . 1 . 2]" 1
1725 1 89 LEU HB2 1 95 TYR QE . . 4.310 4.342 4.296 4.415 0.105 15 0 "[ . 1 . 2]" 1
1726 1 89 LEU HB3 1 89 LEU MD1 . . 3.100 2.237 2.201 2.298 . 0 0 "[ . 1 . 2]" 1
1727 1 89 LEU HB3 1 89 LEU MD2 . . 3.240 2.677 2.572 2.754 . 0 0 "[ . 1 . 2]" 1
1728 1 89 LEU HB3 1 90 GLN H . . 3.630 2.131 1.902 2.491 . 0 0 "[ . 1 . 2]" 1
1729 1 89 LEU HB3 1 91 ASP H . . 4.170 2.960 2.511 4.202 0.032 15 0 "[ . 1 . 2]" 1
1730 1 89 LEU HB3 1 92 GLY H . . 4.970 4.784 4.303 5.061 0.091 15 0 "[ . 1 . 2]" 1
1731 1 89 LEU HB3 1 93 LYS H . . 4.560 3.967 3.531 4.652 0.092 20 0 "[ . 1 . 2]" 1
1732 1 89 LEU HB3 1 93 LYS HB3 . . 4.450 3.962 3.426 4.377 . 0 0 "[ . 1 . 2]" 1
1733 1 89 LEU MD1 1 90 GLN H . . 4.270 3.903 3.573 4.258 . 0 0 "[ . 1 . 2]" 1
1734 1 89 LEU MD1 1 93 LYS H . . 4.310 4.285 4.051 4.490 0.180 20 0 "[ . 1 . 2]" 1
1735 1 89 LEU MD1 1 93 LYS HB2 . . 3.570 2.859 2.166 3.241 . 0 0 "[ . 1 . 2]" 1
1736 1 89 LEU MD1 1 93 LYS HB3 . . 3.350 2.553 1.933 2.820 . 0 0 "[ . 1 . 2]" 1
1737 1 89 LEU MD1 1 93 LYS HD2 . . 3.570 2.460 1.856 2.982 . 0 0 "[ . 1 . 2]" 1
1738 1 89 LEU MD1 1 93 LYS QE . . 3.600 3.527 3.139 3.659 0.059 3 0 "[ . 1 . 2]" 1
1739 1 89 LEU MD1 1 95 TYR QD . . 3.650 3.491 3.301 3.671 0.021 15 0 "[ . 1 . 2]" 1
1740 1 89 LEU MD1 1 95 TYR QE . . 3.060 2.373 2.169 2.544 . 0 0 "[ . 1 . 2]" 1
1741 1 89 LEU MD2 1 90 GLN H . . 4.010 3.845 3.579 4.076 0.066 15 0 "[ . 1 . 2]" 1
1742 1 89 LEU MD2 1 93 LYS HB3 . . 3.830 3.855 3.762 3.896 0.066 8 0 "[ . 1 . 2]" 1
1743 1 89 LEU MD2 1 94 GLU HA . . 4.540 4.455 4.258 4.570 0.030 14 0 "[ . 1 . 2]" 1
1744 1 89 LEU MD2 1 95 TYR QD . . 3.820 3.062 2.862 3.463 . 0 0 "[ . 1 . 2]" 1
1745 1 89 LEU MD2 1 95 TYR QE . . 3.830 3.687 3.302 3.837 0.007 3 0 "[ . 1 . 2]" 1
1746 1 89 LEU HG 1 95 TYR QD . . 4.080 2.785 2.592 2.976 . 0 0 "[ . 1 . 2]" 1
1747 1 89 LEU HG 1 95 TYR QE . . 4.210 2.687 2.464 2.827 . 0 0 "[ . 1 . 2]" 1
1748 1 90 GLN H 1 90 GLN HB2 . . 3.680 3.602 3.554 3.648 . 0 0 "[ . 1 . 2]" 1
1749 1 90 GLN H 1 90 GLN HB3 . . 3.580 2.716 2.550 2.886 . 0 0 "[ . 1 . 2]" 1
1750 1 90 GLN H 1 90 GLN HG2 . . 3.750 2.175 1.938 2.325 . 0 0 "[ . 1 . 2]" 1
1751 1 90 GLN H 1 90 GLN HG3 . . 3.810 2.750 2.266 3.486 . 0 0 "[ . 1 . 2]" 1
1752 1 90 GLN H 1 91 ASP H . . 4.260 2.422 2.154 2.868 . 0 0 "[ . 1 . 2]" 1
1753 1 90 GLN HA 1 90 GLN HB2 . . 2.920 2.479 2.431 2.565 . 0 0 "[ . 1 . 2]" 1
1754 1 90 GLN HA 1 90 GLN HG2 . . 3.930 3.851 3.587 3.947 0.017 17 0 "[ . 1 . 2]" 1
1755 1 90 GLN HA 1 90 GLN HG3 . . 3.870 3.659 3.591 3.960 0.090 15 0 "[ . 1 . 2]" 1
1756 1 90 GLN HA 1 92 GLY H . . 4.150 3.462 3.230 4.182 0.032 15 0 "[ . 1 . 2]" 1
1757 1 90 GLN HB2 1 91 ASP H . . 4.580 4.308 4.019 4.599 0.019 12 0 "[ . 1 . 2]" 1
1758 1 90 GLN HB3 1 91 ASP H . . 4.590 4.360 4.196 4.610 0.020 15 0 "[ . 1 . 2]" 1
1759 1 90 GLN HG2 1 91 ASP H . . 4.550 3.595 3.244 4.078 . 0 0 "[ . 1 . 2]" 1
1760 1 90 GLN HG3 1 91 ASP H . . 4.260 2.928 2.275 4.485 0.225 15 0 "[ . 1 . 2]" 1
1761 1 91 ASP H 1 91 ASP HB2 . . 3.520 2.516 2.078 3.347 . 0 0 "[ . 1 . 2]" 1
1762 1 91 ASP H 1 91 ASP HB3 . . 3.660 3.027 2.468 3.837 0.177 12 0 "[ . 1 . 2]" 1
1763 1 91 ASP H 1 92 GLY H . . 3.880 2.693 2.464 3.053 . 0 0 "[ . 1 . 2]" 1
1764 1 91 ASP H 1 93 LYS H . . 4.320 3.099 2.870 3.431 . 0 0 "[ . 1 . 2]" 1
1765 1 91 ASP HB3 1 92 GLY H . . 5.140 3.869 2.984 4.416 . 0 0 "[ . 1 . 2]" 1
1766 1 91 ASP HB3 1 93 LYS H . . 4.580 3.850 3.182 4.916 0.336 15 0 "[ . 1 . 2]" 1
1767 1 92 GLY H 1 93 LYS H . . 3.450 2.553 2.255 2.841 . 0 0 "[ . 1 . 2]" 1
1768 1 92 GLY H 1 93 LYS HB2 . . 4.960 4.384 4.107 4.617 . 0 0 "[ . 1 . 2]" 1
1769 1 93 LYS H 1 93 LYS HB2 . . 3.260 2.378 2.173 3.052 . 0 0 "[ . 1 . 2]" 1
1770 1 93 LYS H 1 93 LYS HB3 . . 3.320 3.204 3.057 3.572 0.252 12 0 "[ . 1 . 2]" 1
1771 1 93 LYS HA 1 93 LYS QE . . 4.830 4.435 3.947 4.854 0.024 7 0 "[ . 1 . 2]" 1
1772 1 93 LYS HA 1 93 LYS HG2 . . 3.540 2.343 2.133 2.593 . 0 0 "[ . 1 . 2]" 1
1773 1 93 LYS HA 1 93 LYS HG3 . . 3.190 2.472 2.219 2.697 . 0 0 "[ . 1 . 2]" 1
1774 1 93 LYS HA 1 94 GLU H . . 2.770 2.188 2.177 2.228 . 0 0 "[ . 1 . 2]" 1
1775 1 93 LYS HA 1 94 GLU HA . . 4.650 4.344 4.333 4.365 . 0 0 "[ . 1 . 2]" 1
1776 1 93 LYS HA 1 94 GLU QB . . 4.470 4.144 3.959 4.342 . 0 0 "[ . 1 . 2]" 1
1777 1 93 LYS HB3 1 93 LYS HD2 . . 3.450 2.316 2.203 2.518 . 0 0 "[ . 1 . 2]" 1
1778 1 93 LYS HB3 1 93 LYS HD3 . . 3.600 3.379 2.801 3.635 0.035 6 0 "[ . 1 . 2]" 1
1779 1 93 LYS HB3 1 93 LYS QE . . 4.160 3.818 3.325 4.122 . 0 0 "[ . 1 . 2]" 1
1780 1 93 LYS HB3 1 94 GLU HA . . 4.700 4.517 4.229 4.636 . 0 0 "[ . 1 . 2]" 1
1781 1 93 LYS HB3 1 95 TYR QD . . 4.140 3.513 3.098 3.879 . 0 0 "[ . 1 . 2]" 1
1782 1 93 LYS HB3 1 95 TYR QE . . 3.660 2.275 1.989 2.605 . 0 0 "[ . 1 . 2]" 1
1783 1 93 LYS HD2 1 95 TYR QE . . 4.370 2.309 2.026 2.796 . 0 0 "[ . 1 . 2]" 1
1784 1 93 LYS HD3 1 95 TYR QE . . 4.120 2.992 2.152 3.402 . 0 0 "[ . 1 . 2]" 1
1785 1 93 LYS QE 1 93 LYS HG2 . . 3.630 3.278 2.926 3.435 . 0 0 "[ . 1 . 2]" 1
1786 1 93 LYS QE 1 93 LYS HG3 . . 3.510 2.262 1.959 2.630 . 0 0 "[ . 1 . 2]" 1
1787 1 93 LYS QE 1 95 TYR QE . . 4.430 4.168 3.955 4.453 0.023 12 0 "[ . 1 . 2]" 1
1788 1 93 LYS HG2 1 94 GLU H . . 4.210 3.525 3.254 3.789 . 0 0 "[ . 1 . 2]" 1
1789 1 93 LYS HG2 1 95 TYR QE . . 3.570 3.246 2.433 3.584 0.014 7 0 "[ . 1 . 2]" 1
1790 1 94 GLU H 1 94 GLU QB . . 3.320 2.357 2.200 2.692 . 0 0 "[ . 1 . 2]" 1
1791 1 94 GLU H 1 94 GLU QG . . 4.550 3.694 3.205 4.226 . 0 0 "[ . 1 . 2]" 1
1792 1 94 GLU H 1 95 TYR H . . 4.810 4.446 4.131 4.562 . 0 0 "[ . 1 . 2]" 1
1793 1 94 GLU H 1 95 TYR QD . . 5.020 4.743 4.026 5.016 . 0 0 "[ . 1 . 2]" 1
1794 1 94 GLU HA 1 94 GLU QG . . 3.710 2.128 1.995 2.258 . 0 0 "[ . 1 . 2]" 1
1795 1 94 GLU HA 1 95 TYR H . . 2.890 2.244 2.202 2.315 . 0 0 "[ . 1 . 2]" 1
1796 1 94 GLU HA 1 95 TYR QD . . 4.240 3.698 3.115 3.956 . 0 0 "[ . 1 . 2]" 1
1797 1 94 GLU QB 1 95 TYR H . . 3.900 3.419 2.977 3.798 . 0 0 "[ . 1 . 2]" 1
1798 1 94 GLU QG 1 95 TYR H . . 4.230 3.298 2.113 3.854 . 0 0 "[ . 1 . 2]" 1
1799 1 95 TYR H 1 95 TYR HB2 . . 3.840 2.392 2.265 2.533 . 0 0 "[ . 1 . 2]" 1
1800 1 95 TYR H 1 95 TYR HB3 . . 3.920 3.595 3.521 3.681 . 0 0 "[ . 1 . 2]" 1
1801 1 95 TYR H 1 95 TYR QD . . 3.510 3.112 2.336 3.415 . 0 0 "[ . 1 . 2]" 1
1802 1 95 TYR HA 1 95 TYR QD . . 3.560 2.817 2.634 3.168 . 0 0 "[ . 1 . 2]" 1
1803 1 95 TYR HA 1 96 LEU H . . 3.220 2.388 2.276 2.474 . 0 0 "[ . 1 . 2]" 1
1804 1 95 TYR HB2 1 96 LEU H . . 4.310 3.965 3.680 4.188 . 0 0 "[ . 1 . 2]" 1
1805 1 95 TYR HB2 1 97 PHE QD . . 4.190 3.845 3.474 4.151 . 0 0 "[ . 1 . 2]" 1
1806 1 95 TYR HB2 1 97 PHE QE . . 3.460 2.202 1.958 2.729 . 0 0 "[ . 1 . 2]" 1
1807 1 95 TYR HB2 1 97 PHE HZ . . 4.490 3.618 3.289 3.931 . 0 0 "[ . 1 . 2]" 1
1808 1 95 TYR HB3 1 96 LEU H . . 3.840 2.758 2.537 3.088 . 0 0 "[ . 1 . 2]" 1
1809 1 95 TYR HB3 1 97 PHE QE . . 3.650 2.539 2.186 2.975 . 0 0 "[ . 1 . 2]" 1
1810 1 95 TYR HB3 1 97 PHE HZ . . 4.360 3.073 2.873 3.341 . 0 0 "[ . 1 . 2]" 1
1811 1 95 TYR QD 1 96 LEU H . . 4.030 3.541 3.333 3.967 . 0 0 "[ . 1 . 2]" 1
1812 1 95 TYR QD 1 97 PHE QE . . 3.800 3.607 3.388 3.806 0.006 1 0 "[ . 1 . 2]" 1
1813 1 96 LEU H 1 96 LEU HB2 . . 3.760 2.505 2.304 2.626 . 0 0 "[ . 1 . 2]" 1
1814 1 96 LEU H 1 96 LEU HB3 . . 4.080 3.631 3.480 3.731 . 0 0 "[ . 1 . 2]" 1
1815 1 96 LEU H 1 96 LEU QD . . 4.130 3.706 3.631 3.787 . 0 0 "[ . 1 . 2]" 1
1816 1 96 LEU HA 1 96 LEU QD . . 3.090 1.977 1.924 2.051 . 0 0 "[ . 1 . 2]" 1
1817 1 96 LEU HA 1 96 LEU HG . . 3.920 2.886 2.818 2.963 . 0 0 "[ . 1 . 2]" 1
1818 1 96 LEU HA 1 97 PHE H . . 3.200 2.180 2.176 2.189 . 0 0 "[ . 1 . 2]" 1
1819 1 96 LEU HA 1 97 PHE QD . . 4.210 3.735 3.526 4.113 . 0 0 "[ . 1 . 2]" 1
1820 1 96 LEU HB3 1 97 PHE H . . 4.010 3.619 3.480 3.833 . 0 0 "[ . 1 . 2]" 1
1821 1 96 LEU QD 1 97 PHE H . . 3.860 3.172 2.934 3.428 . 0 0 "[ . 1 . 2]" 1
1822 1 96 LEU HG 1 97 PHE H . . 4.950 5.007 4.945 5.091 0.141 20 0 "[ . 1 . 2]" 1
1823 1 97 PHE H 1 97 PHE HB2 . . 3.510 2.428 2.332 2.496 . 0 0 "[ . 1 . 2]" 1
1824 1 97 PHE H 1 97 PHE HB3 . . 4.070 3.625 3.559 3.667 . 0 0 "[ . 1 . 2]" 1
1825 1 97 PHE H 1 97 PHE QD . . 3.640 2.794 2.551 3.159 . 0 0 "[ . 1 . 2]" 1
1826 1 97 PHE H 1 98 GLN H . . 4.770 4.432 4.326 4.530 . 0 0 "[ . 1 . 2]" 1
1827 1 97 PHE HA 1 97 PHE QD . . 3.810 2.850 2.574 2.998 . 0 0 "[ . 1 . 2]" 1
1828 1 97 PHE HA 1 98 GLN H . . 3.160 2.240 2.194 2.336 . 0 0 "[ . 1 . 2]" 1
1829 1 97 PHE HB2 1 98 GLN H . . 4.740 4.201 3.991 4.357 . 0 0 "[ . 1 . 2]" 1
1830 1 97 PHE HB3 1 98 GLN H . . 4.250 3.261 2.886 3.568 . 0 0 "[ . 1 . 2]" 1
1831 1 97 PHE QD 1 98 GLN H . . 4.640 4.109 3.704 4.382 . 0 0 "[ . 1 . 2]" 1
1832 1 98 GLN H 1 98 GLN HB2 . . 4.050 2.928 2.727 3.113 . 0 0 "[ . 1 . 2]" 1
1833 1 98 GLN H 1 98 GLN HB3 . . 3.800 2.545 2.411 2.912 . 0 0 "[ . 1 . 2]" 1
1834 1 98 GLN HA 1 98 GLN HG2 . . 4.060 2.773 2.340 3.043 . 0 0 "[ . 1 . 2]" 1
1835 1 98 GLN HA 1 98 GLN HG3 . . 4.180 2.822 2.719 3.132 . 0 0 "[ . 1 . 2]" 1
1836 1 98 GLN HA 1 99 ALA H . . 3.140 2.208 2.202 2.238 . 0 0 "[ . 1 . 2]" 1
1837 1 98 GLN HA 1 99 ALA MB . . 4.090 3.965 3.906 3.999 . 0 0 "[ . 1 . 2]" 1
1838 1 98 GLN HB2 1 98 GLN HE22 . . 5.150 4.833 4.627 5.021 . 0 0 "[ . 1 . 2]" 1
1839 1 98 GLN HB2 1 99 ALA H . . 4.660 4.459 4.297 4.615 . 0 0 "[ . 1 . 2]" 1
1840 1 98 GLN HG2 1 99 ALA H . . 4.030 3.133 2.681 3.530 . 0 0 "[ . 1 . 2]" 1
1841 1 98 GLN HG3 1 99 ALA H . . 4.260 3.962 3.606 4.365 0.105 19 0 "[ . 1 . 2]" 1
1842 1 99 ALA H 1 99 ALA MB . . 3.090 2.147 1.962 2.232 . 0 0 "[ . 1 . 2]" 1
1843 1 99 ALA H 1 100 LYS H . . 4.910 4.497 3.952 4.645 . 0 0 "[ . 1 . 2]" 1
1844 1 99 ALA HA 1 100 LYS H . . 3.410 2.664 2.335 3.241 . 0 0 "[ . 1 . 2]" 1
1845 1 99 ALA HA 1 101 ASP H . . 5.360 4.421 4.130 5.090 . 0 0 "[ . 1 . 2]" 1
1846 1 99 ALA HA 1 104 GLU QG . . 3.950 2.809 2.441 3.396 . 0 0 "[ . 1 . 2]" 1
1847 1 99 ALA MB 1 100 LYS H . . 2.990 2.269 1.804 2.813 . 0 0 "[ . 1 . 2]" 1
1848 1 99 ALA MB 1 100 LYS HB3 . . 4.530 4.279 3.589 4.522 . 0 0 "[ . 1 . 2]" 1
1849 1 99 ALA MB 1 100 LYS QG . . 4.250 3.742 3.398 4.317 0.067 14 0 "[ . 1 . 2]" 1
1850 1 99 ALA MB 1 101 ASP H . . 3.330 2.558 2.164 2.920 . 0 0 "[ . 1 . 2]" 1
1851 1 99 ALA MB 1 104 GLU H . . 4.150 4.024 3.814 4.156 0.006 11 0 "[ . 1 . 2]" 1
1852 1 99 ALA MB 1 104 GLU HA . . 4.170 4.028 3.851 4.164 . 0 0 "[ . 1 . 2]" 1
1853 1 99 ALA MB 1 104 GLU QB . . 3.310 1.957 1.886 2.091 . 0 0 "[ . 1 . 2]" 1
1854 1 99 ALA MB 1 104 GLU QG . . 2.860 2.087 1.932 2.262 . 0 0 "[ . 1 . 2]" 1
1855 1 99 ALA MB 1 105 MET H . . 3.350 2.415 2.149 2.641 . 0 0 "[ . 1 . 2]" 1
1856 1 99 ALA MB 1 105 MET HA . . 3.200 2.252 1.927 2.613 . 0 0 "[ . 1 . 2]" 1
1857 1 99 ALA MB 1 105 MET HB3 . . 4.090 3.431 3.168 3.721 . 0 0 "[ . 1 . 2]" 1
1858 1 99 ALA MB 1 105 MET HG2 . . 4.400 3.455 3.112 3.960 . 0 0 "[ . 1 . 2]" 1
1859 1 99 ALA MB 1 105 MET HG3 . . 4.120 2.657 1.959 3.602 . 0 0 "[ . 1 . 2]" 1
1860 1 99 ALA MB 1 106 SER H . . 4.610 4.441 4.253 4.623 0.013 14 0 "[ . 1 . 2]" 1
1861 1 99 ALA MB 1 108 TRP HB2 . . 4.630 3.926 3.512 4.202 . 0 0 "[ . 1 . 2]" 1
1862 1 99 ALA MB 1 108 TRP HD1 . . 3.780 2.704 2.406 3.120 . 0 0 "[ . 1 . 2]" 1
1863 1 100 LYS H 1 100 LYS HB2 . . 3.550 3.558 3.405 3.787 0.237 19 0 "[ . 1 . 2]" 1
1864 1 100 LYS H 1 100 LYS HB3 . . 3.590 2.383 2.093 2.944 . 0 0 "[ . 1 . 2]" 1
1865 1 100 LYS H 1 100 LYS QG . . 3.510 2.601 2.376 3.311 . 0 0 "[ . 1 . 2]" 1
1866 1 100 LYS H 1 101 ASP H . . 3.630 2.344 1.782 2.793 . 0 0 "[ . 1 . 2]" 1
1867 1 100 LYS H 1 104 GLU QB . . 4.160 2.197 1.922 2.751 . 0 0 "[ . 1 . 2]" 1
1868 1 100 LYS H 1 104 GLU QG . . 4.400 2.377 2.002 3.037 . 0 0 "[ . 1 . 2]" 1
1869 1 100 LYS HA 1 100 LYS HB3 . . 3.020 2.627 2.522 2.879 . 0 0 "[ . 1 . 2]" 1
1870 1 100 LYS HA 1 100 LYS QG . . 3.670 3.244 2.944 3.332 . 0 0 "[ . 1 . 2]" 1
1871 1 100 LYS HB2 1 101 ASP H . . 4.450 4.221 4.025 4.294 . 0 0 "[ . 1 . 2]" 1
1872 1 100 LYS HB3 1 100 LYS HD2 . . 3.930 3.485 2.488 3.960 0.030 1 0 "[ . 1 . 2]" 1
1873 1 100 LYS HB3 1 100 LYS HD3 . . 3.940 2.728 2.220 3.148 . 0 0 "[ . 1 . 2]" 1
1874 1 100 LYS HB3 1 101 ASP H . . 4.380 3.812 3.208 4.100 . 0 0 "[ . 1 . 2]" 1
1875 1 100 LYS HB3 1 104 GLU QB . . 3.930 3.425 2.666 3.624 . 0 0 "[ . 1 . 2]" 1
1876 1 100 LYS HE2 1 100 LYS QG . . 3.310 2.566 1.974 3.411 0.101 3 0 "[ . 1 . 2]" 1
1877 1 100 LYS HE2 1 104 GLU QB . . 4.820 2.883 1.986 4.539 . 0 0 "[ . 1 . 2]" 1
1878 1 100 LYS HE3 1 100 LYS QG . . 3.380 2.553 2.059 3.291 . 0 0 "[ . 1 . 2]" 1
1879 1 100 LYS QG 1 101 ASP H . . 3.870 2.253 1.901 2.591 . 0 0 "[ . 1 . 2]" 1
1880 1 100 LYS QG 1 101 ASP HB2 . . 4.430 2.735 2.467 3.094 . 0 0 "[ . 1 . 2]" 1
1881 1 100 LYS QG 1 104 GLU QB . . 3.930 2.056 1.808 2.913 . 0 0 "[ . 1 . 2]" 1
1882 1 100 LYS QG 1 104 GLU QG . . 4.550 3.470 2.897 4.384 . 0 0 "[ . 1 . 2]" 1
1883 1 101 ASP H 1 104 GLU H . . 4.420 3.376 2.954 3.600 . 0 0 "[ . 1 . 2]" 1
1884 1 101 ASP H 1 104 GLU QB . . 3.700 2.126 1.923 2.413 . 0 0 "[ . 1 . 2]" 1
1885 1 101 ASP H 1 104 GLU QG . . 4.840 3.799 3.535 4.167 . 0 0 "[ . 1 . 2]" 1
1886 1 101 ASP H 1 105 MET H . . 5.250 3.350 3.157 3.589 . 0 0 "[ . 1 . 2]" 1
1887 1 101 ASP HA 1 101 ASP HB3 . . 3.010 2.541 2.427 2.616 . 0 0 "[ . 1 . 2]" 1
1888 1 101 ASP HA 1 102 GLU H . . 3.390 2.738 2.597 2.856 . 0 0 "[ . 1 . 2]" 1
1889 1 101 ASP HA 1 102 GLU QB . . 4.970 4.802 4.499 4.907 . 0 0 "[ . 1 . 2]" 1
1890 1 101 ASP HA 1 103 ALA H . . 4.770 4.472 4.076 4.770 . 0 0 "[ . 1 . 2]" 1
1891 1 101 ASP HB2 1 102 GLU H . . 3.440 3.217 2.804 3.426 . 0 0 "[ . 1 . 2]" 1
1892 1 101 ASP HB2 1 102 GLU HA . . 5.150 5.033 4.716 5.182 0.032 4 0 "[ . 1 . 2]" 1
1893 1 101 ASP HB2 1 102 GLU QB . . 4.710 4.669 4.430 4.737 0.027 12 0 "[ . 1 . 2]" 1
1894 1 101 ASP HB2 1 103 ALA H . . 4.170 2.793 2.103 3.233 . 0 0 "[ . 1 . 2]" 1
1895 1 101 ASP HB2 1 105 MET H . . 5.100 4.700 4.589 4.979 . 0 0 "[ . 1 . 2]" 1
1896 1 101 ASP HB3 1 102 GLU H . . 3.220 2.025 1.934 2.303 . 0 0 "[ . 1 . 2]" 1
1897 1 101 ASP HB3 1 102 GLU QB . . 4.550 3.701 3.515 3.955 . 0 0 "[ . 1 . 2]" 1
1898 1 101 ASP HB3 1 103 ALA MB . . 4.340 3.774 3.613 4.119 . 0 0 "[ . 1 . 2]" 1
1899 1 101 ASP HB3 1 104 GLU H . . 5.170 4.432 4.224 4.787 . 0 0 "[ . 1 . 2]" 1
1900 1 102 GLU H 1 102 GLU QB . . 3.120 2.293 2.127 2.391 . 0 0 "[ . 1 . 2]" 1
1901 1 102 GLU H 1 102 GLU HG2 . . 3.850 3.123 2.353 3.822 . 0 0 "[ . 1 . 2]" 1
1902 1 102 GLU H 1 102 GLU HG3 . . 3.830 2.783 2.254 3.909 0.079 17 0 "[ . 1 . 2]" 1
1903 1 102 GLU H 1 103 ALA H . . 3.620 2.733 2.612 2.867 . 0 0 "[ . 1 . 2]" 1
1904 1 102 GLU H 1 103 ALA MB . . 4.520 4.244 4.101 4.365 . 0 0 "[ . 1 . 2]" 1
1905 1 102 GLU H 1 104 GLU H . . 5.140 4.910 4.713 5.051 . 0 0 "[ . 1 . 2]" 1
1906 1 102 GLU HA 1 102 GLU HG2 . . 3.270 2.478 2.156 3.807 0.537 17 1 "[ . 1 . + 2]" 1
1907 1 102 GLU HA 1 102 GLU HG3 . . 3.850 3.188 2.494 3.690 . 0 0 "[ . 1 . 2]" 1
1908 1 102 GLU HA 1 105 MET H . . 3.960 3.702 3.588 3.961 0.001 13 0 "[ . 1 . 2]" 1
1909 1 102 GLU HA 1 105 MET HB2 . . 4.000 3.282 2.933 3.713 . 0 0 "[ . 1 . 2]" 1
1910 1 102 GLU HA 1 105 MET HB3 . . 3.960 2.887 2.523 3.329 . 0 0 "[ . 1 . 2]" 1
1911 1 102 GLU HA 1 106 SER H . . 4.490 3.602 3.244 3.876 . 0 0 "[ . 1 . 2]" 1
1912 1 102 GLU QB 1 103 ALA H . . 3.440 2.866 2.560 3.360 . 0 0 "[ . 1 . 2]" 1
1913 1 102 GLU QB 1 103 ALA HA . . 4.630 3.961 3.799 4.654 0.024 17 0 "[ . 1 . 2]" 1
1914 1 102 GLU QB 1 103 ALA MB . . 4.470 3.930 3.782 4.547 0.077 17 0 "[ . 1 . 2]" 1
1915 1 102 GLU HG2 1 103 ALA H . . 4.720 4.810 2.065 5.253 0.533 3 1 "[ + . 1 . 2]" 1
1916 1 103 ALA H 1 103 ALA MB . . 2.740 2.032 1.933 2.238 . 0 0 "[ . 1 . 2]" 1
1917 1 103 ALA H 1 104 GLU H . . 3.520 2.952 2.674 3.095 . 0 0 "[ . 1 . 2]" 1
1918 1 103 ALA HA 1 106 SER H . . 4.010 3.774 3.541 3.978 . 0 0 "[ . 1 . 2]" 1
1919 1 103 ALA MB 1 104 GLU H . . 3.130 2.056 1.937 2.262 . 0 0 "[ . 1 . 2]" 1
1920 1 103 ALA MB 1 104 GLU HA . . 4.300 3.580 3.531 3.679 . 0 0 "[ . 1 . 2]" 1
1921 1 103 ALA MB 1 104 GLU QB . . 4.450 3.599 3.525 3.723 . 0 0 "[ . 1 . 2]" 1
1922 1 103 ALA MB 1 105 MET H . . 4.560 4.287 4.131 4.525 . 0 0 "[ . 1 . 2]" 1
1923 1 103 ALA MB 1 106 SER H . . 5.030 4.895 4.699 5.012 . 0 0 "[ . 1 . 2]" 1
1924 1 104 GLU H 1 104 GLU QB . . 3.390 2.201 2.161 2.224 . 0 0 "[ . 1 . 2]" 1
1925 1 104 GLU H 1 104 GLU QG . . 4.010 3.994 3.955 4.044 0.034 14 0 "[ . 1 . 2]" 1
1926 1 104 GLU H 1 105 MET H . . 3.650 3.008 2.905 3.101 . 0 0 "[ . 1 . 2]" 1
1927 1 104 GLU H 1 106 SER H . . 5.130 4.955 4.743 5.087 . 0 0 "[ . 1 . 2]" 1
1928 1 104 GLU HA 1 104 GLU QG . . 3.050 2.524 2.345 2.747 . 0 0 "[ . 1 . 2]" 1
1929 1 104 GLU HA 1 105 MET HA . . 4.640 4.757 4.726 4.783 0.143 11 0 "[ . 1 . 2]" 1
1930 1 104 GLU HA 1 107 SER H . . 3.980 3.914 3.855 3.977 . 0 0 "[ . 1 . 2]" 1
1931 1 104 GLU HA 1 107 SER HB2 . . 3.510 2.881 2.748 3.089 . 0 0 "[ . 1 . 2]" 1
1932 1 104 GLU HA 1 107 SER HB3 . . 4.030 3.773 3.537 4.070 0.040 9 0 "[ . 1 . 2]" 1
1933 1 104 GLU HA 1 108 TRP HD1 . . 4.400 4.126 3.633 4.443 0.043 13 0 "[ . 1 . 2]" 1
1934 1 104 GLU QB 1 105 MET H . . 3.940 2.563 2.356 2.720 . 0 0 "[ . 1 . 2]" 1
1935 1 104 GLU QB 1 108 TRP HD1 . . 4.150 3.915 3.363 4.034 . 0 0 "[ . 1 . 2]" 1
1936 1 104 GLU QG 1 108 TRP HD1 . . 2.880 2.181 1.763 2.636 . 0 0 "[ . 1 . 2]" 1
1937 1 104 GLU QG 1 108 TRP HE1 . . 4.080 2.605 2.155 2.957 . 0 0 "[ . 1 . 2]" 1
1938 1 105 MET H 1 105 MET HB2 . . 3.350 2.207 2.080 2.429 . 0 0 "[ . 1 . 2]" 1
1939 1 105 MET H 1 105 MET HB3 . . 3.360 2.700 2.437 2.893 . 0 0 "[ . 1 . 2]" 1
1940 1 105 MET H 1 105 MET HG2 . . 4.450 4.399 4.297 4.446 . 0 0 "[ . 1 . 2]" 1
1941 1 105 MET H 1 105 MET HG3 . . 4.220 4.229 3.992 4.549 0.329 16 0 "[ . 1 . 2]" 1
1942 1 105 MET H 1 106 SER H . . 3.670 2.955 2.790 3.087 . 0 0 "[ . 1 . 2]" 1
1943 1 105 MET HA 1 105 MET HG2 . . 3.570 2.592 2.350 2.905 . 0 0 "[ . 1 . 2]" 1
1944 1 105 MET HA 1 105 MET HG3 . . 3.140 2.852 2.463 3.682 0.542 11 4 "[ . * 1+ .- * 2]" 1
1945 1 105 MET HA 1 108 TRP HB2 . . 3.920 2.538 2.274 2.787 . 0 0 "[ . 1 . 2]" 1
1946 1 105 MET HA 1 108 TRP HB3 . . 4.670 4.107 3.880 4.306 . 0 0 "[ . 1 . 2]" 1
1947 1 105 MET HA 1 108 TRP HD1 . . 4.120 2.740 2.463 3.116 . 0 0 "[ . 1 . 2]" 1
1948 1 105 MET HA 1 109 LEU QD . . 4.620 3.531 3.084 3.792 . 0 0 "[ . 1 . 2]" 1
1949 1 105 MET HB2 1 106 SER H . . 4.040 3.357 3.139 3.553 . 0 0 "[ . 1 . 2]" 1
1950 1 105 MET HB3 1 105 MET ME . . 2.840 2.445 1.900 2.914 0.074 16 0 "[ . 1 . 2]" 1
1951 1 105 MET HB3 1 106 SER H . . 3.520 1.981 1.921 2.143 . 0 0 "[ . 1 . 2]" 1
1952 1 105 MET HB3 1 107 SER H . . 4.660 4.659 4.549 4.703 0.043 18 0 "[ . 1 . 2]" 1
1953 1 105 MET ME 1 106 SER H . . 3.600 3.316 3.000 3.621 0.021 15 0 "[ . 1 . 2]" 1
1954 1 105 MET ME 1 106 SER HA . . 3.610 3.338 2.950 3.638 0.028 20 0 "[ . 1 . 2]" 1
1955 1 105 MET ME 1 106 SER HB2 . . 4.540 4.267 3.401 4.682 0.142 8 0 "[ . 1 . 2]" 1
1956 1 105 MET ME 1 109 LEU H . . 5.090 4.910 4.578 5.283 0.193 9 0 "[ . 1 . 2]" 1
1957 1 105 MET ME 1 109 LEU QD . . 3.600 3.086 2.840 3.388 . 0 0 "[ . 1 . 2]" 1
1958 1 105 MET ME 1 109 LEU HG . . 4.730 3.276 3.168 3.571 . 0 0 "[ . 1 . 2]" 1
1959 1 105 MET HG2 1 106 SER H . . 4.390 3.946 3.440 4.234 . 0 0 "[ . 1 . 2]" 1
1960 1 105 MET HG2 1 106 SER HA . . 4.580 4.355 3.647 4.815 0.235 8 0 "[ . 1 . 2]" 1
1961 1 105 MET HG2 1 109 LEU QD . . 3.620 2.515 2.101 2.706 . 0 0 "[ . 1 . 2]" 1
1962 1 105 MET HG3 1 109 LEU QD . . 4.010 3.654 3.195 3.960 . 0 0 "[ . 1 . 2]" 1
1963 1 106 SER H 1 106 SER HB2 . . 3.180 2.285 2.055 3.532 0.352 8 0 "[ . 1 . 2]" 1
1964 1 106 SER H 1 106 SER HB3 . . 3.560 3.099 2.289 3.500 . 0 0 "[ . 1 . 2]" 1
1965 1 106 SER H 1 107 SER H . . 3.630 3.008 2.955 3.108 . 0 0 "[ . 1 . 2]" 1
1966 1 106 SER HA 1 109 LEU H . . 3.910 3.811 3.492 3.970 0.060 15 0 "[ . 1 . 2]" 1
1967 1 106 SER HA 1 109 LEU HB2 . . 3.570 2.887 2.545 3.120 . 0 0 "[ . 1 . 2]" 1
1968 1 106 SER HA 1 109 LEU QD . . 3.710 3.627 3.521 3.667 . 0 0 "[ . 1 . 2]" 1
1969 1 106 SER HA 1 110 ARG H . . 4.340 4.166 3.982 4.361 0.021 13 0 "[ . 1 . 2]" 1
1970 1 106 SER HB2 1 107 SER H . . 3.760 3.325 2.834 3.963 0.203 12 0 "[ . 1 . 2]" 1
1971 1 106 SER HB3 1 107 SER H . . 3.920 2.907 2.456 3.766 . 0 0 "[ . 1 . 2]" 1
1972 1 107 SER H 1 107 SER HB2 . . 3.280 2.023 2.020 2.035 . 0 0 "[ . 1 . 2]" 1
1973 1 107 SER H 1 107 SER HB3 . . 3.550 3.252 3.182 3.293 . 0 0 "[ . 1 . 2]" 1
1974 1 107 SER H 1 108 TRP H . . 3.640 2.842 2.684 3.011 . 0 0 "[ . 1 . 2]" 1
1975 1 107 SER HA 1 107 SER HB2 . . 2.850 2.878 2.855 2.887 0.037 16 0 "[ . 1 . 2]" 1
1976 1 107 SER HA 1 107 SER HB3 . . 2.850 2.885 2.877 2.904 0.054 9 0 "[ . 1 . 2]" 1
1977 1 107 SER HA 1 110 ARG H . . 4.180 3.387 3.194 3.508 . 0 0 "[ . 1 . 2]" 1
1978 1 107 SER HA 1 110 ARG QB . . 3.570 2.314 2.208 2.392 . 0 0 "[ . 1 . 2]" 1
1979 1 107 SER HB2 1 108 TRP H . . 3.840 2.983 2.915 3.081 . 0 0 "[ . 1 . 2]" 1
1980 1 107 SER HB3 1 108 TRP H . . 3.950 2.675 2.551 2.771 . 0 0 "[ . 1 . 2]" 1
1981 1 107 SER HB3 1 110 ARG QB . . 4.660 4.447 4.346 4.532 . 0 0 "[ . 1 . 2]" 1
1982 1 107 SER HB3 1 111 VAL MG2 . . 4.800 2.973 2.800 3.136 . 0 0 "[ . 1 . 2]" 1
1983 1 108 TRP H 1 108 TRP HB2 . . 3.360 2.198 2.149 2.244 . 0 0 "[ . 1 . 2]" 1
1984 1 108 TRP H 1 108 TRP HB3 . . 3.670 3.478 3.449 3.503 . 0 0 "[ . 1 . 2]" 1
1985 1 108 TRP H 1 108 TRP HD1 . . 3.710 3.254 3.136 3.406 . 0 0 "[ . 1 . 2]" 1
1986 1 108 TRP H 1 109 LEU H . . 3.540 3.083 2.862 3.171 . 0 0 "[ . 1 . 2]" 1
1987 1 108 TRP HA 1 108 TRP HD1 . . 4.290 4.192 4.125 4.245 . 0 0 "[ . 1 . 2]" 1
1988 1 108 TRP HA 1 108 TRP HE3 . . 3.420 2.604 2.473 2.718 . 0 0 "[ . 1 . 2]" 1
1989 1 108 TRP HA 1 111 VAL H . . 4.140 3.282 3.216 3.414 . 0 0 "[ . 1 . 2]" 1
1990 1 108 TRP HA 1 111 VAL HB . . 3.910 2.637 2.589 2.698 . 0 0 "[ . 1 . 2]" 1
1991 1 108 TRP HA 1 111 VAL MG1 . . 3.830 4.012 3.980 4.047 0.217 11 0 "[ . 1 . 2]" 1
1992 1 108 TRP HA 1 111 VAL MG2 . . 3.230 2.488 2.356 2.658 . 0 0 "[ . 1 . 2]" 1
1993 1 108 TRP HA 1 112 VAL MG2 . . 4.240 3.297 3.217 3.405 . 0 0 "[ . 1 . 2]" 1
1994 1 108 TRP HB2 1 108 TRP HD1 . . 3.600 2.614 2.605 2.622 . 0 0 "[ . 1 . 2]" 1
1995 1 108 TRP HB2 1 109 LEU H . . 3.930 2.559 2.447 2.771 . 0 0 "[ . 1 . 2]" 1
1996 1 108 TRP HB3 1 108 TRP HE3 . . 3.510 2.813 2.768 2.885 . 0 0 "[ . 1 . 2]" 1
1997 1 108 TRP HB3 1 109 LEU H . . 4.040 2.863 2.741 3.191 . 0 0 "[ . 1 . 2]" 1
1998 1 108 TRP HB3 1 109 LEU QD . . 4.820 2.742 2.604 2.915 . 0 0 "[ . 1 . 2]" 1
1999 1 108 TRP HB3 1 112 VAL MG2 . . 4.250 2.653 2.538 2.768 . 0 0 "[ . 1 . 2]" 1
2000 1 108 TRP HE3 1 111 VAL MG1 . . 4.630 3.932 3.817 4.074 . 0 0 "[ . 1 . 2]" 1
2001 1 108 TRP HE3 1 111 VAL MG2 . . 4.180 4.215 4.185 4.244 0.064 11 0 "[ . 1 . 2]" 1
2002 1 108 TRP HE3 1 112 VAL MG1 . . 4.550 4.609 4.579 4.636 0.086 14 0 "[ . 1 . 2]" 1
2003 1 108 TRP HE3 1 112 VAL MG2 . . 3.290 2.081 2.030 2.132 . 0 0 "[ . 1 . 2]" 1
2004 1 108 TRP HZ3 1 112 VAL MG2 . . 4.260 3.192 3.071 3.362 . 0 0 "[ . 1 . 2]" 1
2005 1 109 LEU H 1 109 LEU HB2 . . 3.300 2.300 2.146 2.361 . 0 0 "[ . 1 . 2]" 1
2006 1 109 LEU H 1 109 LEU HB3 . . 3.620 3.509 3.446 3.528 . 0 0 "[ . 1 . 2]" 1
2007 1 109 LEU H 1 109 LEU QD . . 4.130 1.864 1.786 1.934 . 0 0 "[ . 1 . 2]" 1
2008 1 109 LEU H 1 109 LEU HG . . 3.680 3.541 3.413 3.743 0.063 18 0 "[ . 1 . 2]" 1
2009 1 109 LEU H 1 110 ARG QB . . 4.930 4.608 4.437 4.685 . 0 0 "[ . 1 . 2]" 1
2010 1 109 LEU HA 1 109 LEU QD . . 2.900 1.975 1.939 2.034 . 0 0 "[ . 1 . 2]" 1
2011 1 109 LEU HA 1 109 LEU HG . . 3.670 3.704 3.668 3.728 0.058 19 0 "[ . 1 . 2]" 1
2012 1 109 LEU HA 1 111 VAL H . . 5.070 4.240 4.065 4.432 . 0 0 "[ . 1 . 2]" 1
2013 1 109 LEU HA 1 112 VAL H . . 3.710 3.562 3.382 3.681 . 0 0 "[ . 1 . 2]" 1
2014 1 109 LEU HA 1 112 VAL HB . . 3.020 2.480 2.418 2.573 . 0 0 "[ . 1 . 2]" 1
2015 1 109 LEU HA 1 112 VAL MG1 . . 3.710 3.808 3.758 3.842 0.132 18 0 "[ . 1 . 2]" 1
2016 1 109 LEU HA 1 112 VAL MG2 . . 3.320 3.156 2.983 3.290 . 0 0 "[ . 1 . 2]" 1
2017 1 109 LEU HA 1 113 ASN H . . 4.130 3.616 3.439 3.789 . 0 0 "[ . 1 . 2]" 1
2018 1 109 LEU HB2 1 110 ARG H . . 3.650 2.644 2.532 2.780 . 0 0 "[ . 1 . 2]" 1
2019 1 109 LEU HB3 1 109 LEU QD . . 3.140 2.182 2.119 2.259 . 0 0 "[ . 1 . 2]" 1
2020 1 109 LEU HB3 1 110 ARG H . . 4.010 3.315 3.168 3.416 . 0 0 "[ . 1 . 2]" 1
2021 1 109 LEU HB3 1 110 ARG HA . . 4.180 4.112 4.041 4.184 0.004 20 0 "[ . 1 . 2]" 1
2022 1 109 LEU HB3 1 113 ASN HD21 . . 5.170 2.878 2.584 3.122 . 0 0 "[ . 1 . 2]" 1
2023 1 109 LEU QD 1 110 ARG H . . 5.200 3.884 3.841 3.908 . 0 0 "[ . 1 . 2]" 1
2024 1 109 LEU QD 1 112 VAL HB . . 4.000 3.317 3.247 3.383 . 0 0 "[ . 1 . 2]" 1
2025 1 109 LEU QD 1 112 VAL MG1 . . 3.760 3.566 3.527 3.594 . 0 0 "[ . 1 . 2]" 1
2026 1 109 LEU QD 1 113 ASN H . . 5.160 4.447 4.257 4.560 . 0 0 "[ . 1 . 2]" 1
2027 1 109 LEU QD 1 113 ASN HD21 . . 4.120 3.197 2.959 3.515 . 0 0 "[ . 1 . 2]" 1
2028 1 109 LEU QD 1 113 ASN HD22 . . 4.170 2.820 2.558 3.164 . 0 0 "[ . 1 . 2]" 1
2029 1 109 LEU HG 1 110 ARG H . . 5.040 4.921 4.820 5.053 0.013 11 0 "[ . 1 . 2]" 1
2030 1 110 ARG H 1 110 ARG QB . . 2.920 2.188 2.167 2.201 . 0 0 "[ . 1 . 2]" 1
2031 1 110 ARG H 1 110 ARG HG2 . . 4.330 4.333 4.284 4.377 0.047 2 0 "[ . 1 . 2]" 1
2032 1 110 ARG H 1 111 VAL H . . 3.640 2.746 2.706 2.817 . 0 0 "[ . 1 . 2]" 1
2033 1 110 ARG H 1 111 VAL MG2 . . 3.940 3.993 3.960 4.017 0.077 4 0 "[ . 1 . 2]" 1
2034 1 110 ARG H 1 112 VAL H . . 5.140 4.531 4.447 4.610 . 0 0 "[ . 1 . 2]" 1
2035 1 110 ARG H 1 112 VAL MG2 . . 5.140 5.179 5.144 5.227 0.087 11 0 "[ . 1 . 2]" 1
2036 1 110 ARG HA 1 110 ARG QD . . 4.330 4.048 3.947 4.110 . 0 0 "[ . 1 . 2]" 1
2037 1 110 ARG HA 1 110 ARG HG2 . . 3.490 3.274 2.757 3.476 . 0 0 "[ . 1 . 2]" 1
2038 1 110 ARG HA 1 110 ARG HG3 . . 3.390 2.725 2.615 3.321 . 0 0 "[ . 1 . 2]" 1
2039 1 110 ARG HA 1 113 ASN H . . 4.160 3.787 3.652 3.888 . 0 0 "[ . 1 . 2]" 1
2040 1 110 ARG HA 1 113 ASN HB2 . . 3.580 2.720 2.532 2.818 . 0 0 "[ . 1 . 2]" 1
2041 1 110 ARG HA 1 113 ASN HB3 . . 4.060 4.059 3.914 4.097 0.037 12 0 "[ . 1 . 2]" 1
2042 1 110 ARG HA 1 113 ASN HD21 . . 4.580 3.466 2.701 3.855 . 0 0 "[ . 1 . 2]" 1
2043 1 110 ARG HA 1 114 ALA H . . 4.660 4.241 4.086 4.335 . 0 0 "[ . 1 . 2]" 1
2044 1 110 ARG QB 1 110 ARG QD . . 3.450 2.142 2.039 2.277 . 0 0 "[ . 1 . 2]" 1
2045 1 110 ARG QB 1 111 VAL H . . 3.390 2.742 2.616 2.844 . 0 0 "[ . 1 . 2]" 1
2046 1 110 ARG QB 1 111 VAL MG2 . . 3.490 2.982 2.929 3.040 . 0 0 "[ . 1 . 2]" 1
2047 1 110 ARG HG2 1 111 VAL H . . 4.380 3.609 3.481 3.734 . 0 0 "[ . 1 . 2]" 1
2048 1 110 ARG HG2 1 111 VAL HA . . 4.550 3.404 3.301 3.543 . 0 0 "[ . 1 . 2]" 1
2049 1 110 ARG HG2 1 111 VAL MG2 . . 3.460 3.091 2.861 3.635 0.175 15 0 "[ . 1 . 2]" 1
2050 1 110 ARG HG3 1 111 VAL H . . 4.830 4.630 4.479 4.848 0.018 4 0 "[ . 1 . 2]" 1
2051 1 111 VAL H 1 111 VAL HB . . 3.290 2.518 2.483 2.565 . 0 0 "[ . 1 . 2]" 1
2052 1 111 VAL H 1 111 VAL MG1 . . 3.870 3.724 3.709 3.736 . 0 0 "[ . 1 . 2]" 1
2053 1 111 VAL H 1 111 VAL MG2 . . 2.960 2.173 2.080 2.250 . 0 0 "[ . 1 . 2]" 1
2054 1 111 VAL H 1 112 VAL H . . 3.490 2.636 2.528 2.741 . 0 0 "[ . 1 . 2]" 1
2055 1 111 VAL H 1 112 VAL HB . . 4.770 4.547 4.470 4.636 . 0 0 "[ . 1 . 2]" 1
2056 1 111 VAL H 1 112 VAL MG2 . . 4.690 4.090 3.983 4.247 . 0 0 "[ . 1 . 2]" 1
2057 1 111 VAL H 1 113 ASN H . . 5.090 3.765 3.667 3.876 . 0 0 "[ . 1 . 2]" 1
2058 1 111 VAL H 1 114 ALA H . . 4.980 4.331 4.265 4.391 . 0 0 "[ . 1 . 2]" 1
2059 1 111 VAL HA 1 111 VAL MG1 . . 3.030 2.305 2.264 2.357 . 0 0 "[ . 1 . 2]" 1
2060 1 111 VAL HA 1 111 VAL MG2 . . 3.170 2.424 2.384 2.471 . 0 0 "[ . 1 . 2]" 1
2061 1 111 VAL HA 1 114 ALA H . . 3.710 3.015 2.977 3.077 . 0 0 "[ . 1 . 2]" 1
2062 1 111 VAL HA 1 114 ALA MB . . 3.000 2.201 2.034 2.352 . 0 0 "[ . 1 . 2]" 1
2063 1 111 VAL HA 1 115 ALA H . . 4.490 4.363 4.115 4.502 0.012 17 0 "[ . 1 . 2]" 1
2064 1 111 VAL HB 1 112 VAL H . . 3.720 2.258 2.225 2.338 . 0 0 "[ . 1 . 2]" 1
2065 1 111 VAL HB 1 112 VAL HA . . 4.330 4.085 4.030 4.112 . 0 0 "[ . 1 . 2]" 1
2066 1 111 VAL MG1 1 112 VAL H . . 3.800 3.446 3.392 3.507 . 0 0 "[ . 1 . 2]" 1
2067 1 111 VAL MG1 1 112 VAL HA . . 4.220 3.807 3.757 3.889 . 0 0 "[ . 1 . 2]" 1
2068 1 111 VAL MG1 1 114 ALA H . . 4.830 4.216 4.158 4.288 . 0 0 "[ . 1 . 2]" 1
2069 1 111 VAL MG1 1 114 ALA MB . . 3.770 3.130 3.005 3.291 . 0 0 "[ . 1 . 2]" 1
2070 1 111 VAL MG1 1 115 ALA H . . 4.640 4.225 3.939 4.401 . 0 0 "[ . 1 . 2]" 1
2071 1 111 VAL MG2 1 112 VAL H . . 3.570 3.607 3.540 3.642 0.072 13 0 "[ . 1 . 2]" 1
2072 1 111 VAL MG2 1 114 ALA H . . 4.590 4.824 4.799 4.871 0.281 17 0 "[ . 1 . 2]" 1
2073 1 111 VAL MG2 1 114 ALA MB . . 4.220 3.898 3.820 3.969 . 0 0 "[ . 1 . 2]" 1
2074 1 112 VAL H 1 112 VAL HB . . 3.100 2.464 2.422 2.523 . 0 0 "[ . 1 . 2]" 1
2075 1 112 VAL H 1 112 VAL MG1 . . 3.660 3.704 3.700 3.707 0.047 15 0 "[ . 1 . 2]" 1
2076 1 112 VAL H 1 112 VAL MG2 . . 3.020 2.159 2.081 2.220 . 0 0 "[ . 1 . 2]" 1
2077 1 112 VAL H 1 113 ASN H . . 3.650 2.853 2.794 2.910 . 0 0 "[ . 1 . 2]" 1
2078 1 112 VAL H 1 114 ALA H . . 4.860 4.109 4.056 4.146 . 0 0 "[ . 1 . 2]" 1
2079 1 112 VAL H 1 115 ALA MB . . 4.490 4.473 4.315 4.566 0.076 10 0 "[ . 1 . 2]" 1
2080 1 112 VAL HA 1 112 VAL MG1 . . 3.070 2.421 2.401 2.453 . 0 0 "[ . 1 . 2]" 1
2081 1 112 VAL HA 1 112 VAL MG2 . . 2.920 2.254 2.229 2.317 . 0 0 "[ . 1 . 2]" 1
2082 1 112 VAL HA 1 114 ALA H . . 5.140 4.347 4.287 4.399 . 0 0 "[ . 1 . 2]" 1
2083 1 112 VAL HA 1 115 ALA H . . 3.790 3.370 3.288 3.402 . 0 0 "[ . 1 . 2]" 1
2084 1 112 VAL HA 1 115 ALA MB . . 3.010 2.406 2.297 2.482 . 0 0 "[ . 1 . 2]" 1
2085 1 112 VAL HB 1 113 ASN H . . 3.430 2.755 2.627 2.846 . 0 0 "[ . 1 . 2]" 1
2086 1 112 VAL HB 1 114 ALA H . . 5.280 4.994 4.920 5.079 . 0 0 "[ . 1 . 2]" 1
2087 1 112 VAL HB 1 116 ILE MD . . 4.570 3.876 3.603 4.066 . 0 0 "[ . 1 . 2]" 1
2088 1 112 VAL MG1 1 113 ASN H . . 3.700 3.601 3.543 3.663 . 0 0 "[ . 1 . 2]" 1
2089 1 112 VAL MG1 1 114 ALA H . . 5.040 5.058 5.037 5.076 0.036 11 0 "[ . 1 . 2]" 1
2090 1 112 VAL MG1 1 115 ALA MB . . 3.330 3.426 3.397 3.453 0.123 14 0 "[ . 1 . 2]" 1
2091 1 112 VAL MG1 1 116 ILE H . . 4.240 3.759 3.639 3.990 . 0 0 "[ . 1 . 2]" 1
2092 1 112 VAL MG1 1 116 ILE MD . . 2.620 2.105 1.874 2.341 . 0 0 "[ . 1 . 2]" 1
2093 1 112 VAL MG1 1 116 ILE HG12 . . 3.960 3.829 3.654 3.930 . 0 0 "[ . 1 . 2]" 1
2094 1 112 VAL MG1 1 116 ILE HG13 . . 3.700 2.730 2.607 2.978 . 0 0 "[ . 1 . 2]" 1
2095 1 112 VAL MG2 1 113 ASN H . . 4.000 3.951 3.873 4.003 0.003 11 0 "[ . 1 . 2]" 1
2096 1 113 ASN H 1 113 ASN HB2 . . 3.200 2.124 2.092 2.151 . 0 0 "[ . 1 . 2]" 1
2097 1 113 ASN H 1 113 ASN HB3 . . 3.500 3.425 3.389 3.448 . 0 0 "[ . 1 . 2]" 1
2098 1 113 ASN H 1 113 ASN HD21 . . 4.610 2.655 2.323 3.106 . 0 0 "[ . 1 . 2]" 1
2099 1 113 ASN H 1 113 ASN HD22 . . 5.140 4.109 3.909 4.304 . 0 0 "[ . 1 . 2]" 1
2100 1 113 ASN H 1 114 ALA H . . 3.580 2.506 2.475 2.592 . 0 0 "[ . 1 . 2]" 1
2101 1 113 ASN H 1 114 ALA MB . . 4.480 4.112 4.010 4.210 . 0 0 "[ . 1 . 2]" 1
2102 1 113 ASN H 1 116 ILE HB . . 4.980 5.035 5.009 5.069 0.089 5 0 "[ . 1 . 2]" 1
2103 1 113 ASN H 1 116 ILE MD . . 4.610 4.045 3.767 4.289 . 0 0 "[ . 1 . 2]" 1
2104 1 113 ASN HA 1 116 ILE H . . 4.190 3.138 2.957 3.249 . 0 0 "[ . 1 . 2]" 1
2105 1 113 ASN HA 1 116 ILE HB . . 3.450 2.484 2.417 2.591 . 0 0 "[ . 1 . 2]" 1
2106 1 113 ASN HA 1 116 ILE MD . . 3.110 2.314 1.986 2.522 . 0 0 "[ . 1 . 2]" 1
2107 1 113 ASN HA 1 116 ILE HG13 . . 4.560 3.845 3.664 3.976 . 0 0 "[ . 1 . 2]" 1
2108 1 113 ASN HA 1 116 ILE MG . . 3.980 3.874 3.847 3.929 . 0 0 "[ . 1 . 2]" 1
2109 1 113 ASN HB2 1 113 ASN HD21 . . 3.210 2.214 2.103 2.311 . 0 0 "[ . 1 . 2]" 1
2110 1 113 ASN HB2 1 113 ASN HD22 . . 3.910 3.491 3.445 3.531 . 0 0 "[ . 1 . 2]" 1
2111 1 113 ASN HB2 1 114 ALA H . . 3.920 2.875 2.834 2.931 . 0 0 "[ . 1 . 2]" 1
2112 1 113 ASN HB2 1 114 ALA MB . . 4.510 4.142 4.028 4.239 . 0 0 "[ . 1 . 2]" 1
2113 1 113 ASN HB2 1 115 ALA H . . 4.940 4.819 4.781 4.872 . 0 0 "[ . 1 . 2]" 1
2114 1 113 ASN HB3 1 113 ASN HD22 . . 4.120 4.082 3.988 4.129 0.009 2 0 "[ . 1 . 2]" 1
2115 1 113 ASN HB3 1 114 ALA H . . 4.050 3.366 3.268 3.429 . 0 0 "[ . 1 . 2]" 1
2116 1 113 ASN HB3 1 114 ALA MB . . 4.350 4.319 4.250 4.372 0.022 11 0 "[ . 1 . 2]" 1
2117 1 113 ASN HB3 1 116 ILE MD . . 4.690 4.648 4.399 4.698 0.008 8 0 "[ . 1 . 2]" 1
2118 1 114 ALA H 1 114 ALA MB . . 2.750 2.101 1.947 2.179 . 0 0 "[ . 1 . 2]" 1
2119 1 114 ALA H 1 115 ALA H . . 3.410 2.525 2.474 2.598 . 0 0 "[ . 1 . 2]" 1
2120 1 114 ALA H 1 116 ILE HB . . 5.240 5.223 5.143 5.311 0.071 17 0 "[ . 1 . 2]" 1
2121 1 114 ALA MB 1 115 ALA H . . 3.120 3.087 3.020 3.141 0.021 11 0 "[ . 1 . 2]" 1
2122 1 115 ALA H 1 115 ALA MB . . 2.700 2.129 2.049 2.207 . 0 0 "[ . 1 . 2]" 1
2123 1 115 ALA H 1 116 ILE HG13 . . 4.570 4.283 4.096 4.438 . 0 0 "[ . 1 . 2]" 1
2124 1 115 ALA HA 1 118 SER H . . 3.880 3.640 3.264 3.877 . 0 0 "[ . 1 . 2]" 1
2125 1 115 ALA HA 1 118 SER HB2 . . 3.950 3.098 2.408 4.414 0.464 2 0 "[ . 1 . 2]" 1
2126 1 115 ALA MB 1 116 ILE H . . 3.360 2.620 2.470 2.834 . 0 0 "[ . 1 . 2]" 1
2127 1 115 ALA MB 1 116 ILE HA . . 3.920 3.820 3.782 3.849 . 0 0 "[ . 1 . 2]" 1
2128 1 115 ALA MB 1 116 ILE HG13 . . 3.610 3.421 3.197 3.501 . 0 0 "[ . 1 . 2]" 1
2129 1 116 ILE H 1 116 ILE HB . . 3.150 2.260 2.221 2.313 . 0 0 "[ . 1 . 2]" 1
2130 1 116 ILE H 1 116 ILE MD . . 3.630 3.243 3.039 3.423 . 0 0 "[ . 1 . 2]" 1
2131 1 116 ILE H 1 116 ILE HG12 . . 3.710 3.752 3.723 3.812 0.102 17 0 "[ . 1 . 2]" 1
2132 1 116 ILE H 1 116 ILE HG13 . . 3.000 2.387 2.348 2.456 . 0 0 "[ . 1 . 2]" 1
2133 1 116 ILE H 1 117 ALA H . . 3.550 2.881 2.484 3.090 . 0 0 "[ . 1 . 2]" 1
2134 1 116 ILE H 1 117 ALA MB . . 4.550 4.307 4.015 4.470 . 0 0 "[ . 1 . 2]" 1
2135 1 116 ILE H 1 118 SER H . . 4.960 4.371 4.044 4.570 . 0 0 "[ . 1 . 2]" 1
2136 1 116 ILE HA 1 116 ILE MD . . 3.730 3.800 3.779 3.838 0.108 17 0 "[ . 1 . 2]" 1
2137 1 116 ILE HA 1 116 ILE HG12 . . 3.230 2.632 2.538 2.783 . 0 0 "[ . 1 . 2]" 1
2138 1 116 ILE HA 1 116 ILE HG13 . . 3.120 2.574 2.486 2.681 . 0 0 "[ . 1 . 2]" 1
2139 1 116 ILE HA 1 116 ILE MG . . 3.070 2.552 2.514 2.614 . 0 0 "[ . 1 . 2]" 1
2140 1 116 ILE HA 1 118 SER H . . 5.030 4.815 4.300 5.037 0.007 3 0 "[ . 1 . 2]" 1
2141 1 116 ILE HB 1 116 ILE MD . . 3.180 2.173 2.078 2.299 . 0 0 "[ . 1 . 2]" 1
2142 1 116 ILE HB 1 117 ALA H . . 3.410 2.528 2.414 2.880 . 0 0 "[ . 1 . 2]" 1
2143 1 116 ILE HB 1 117 ALA HA . . 4.770 4.538 4.467 4.586 . 0 0 "[ . 1 . 2]" 1
2144 1 116 ILE HB 1 117 ALA MB . . 3.990 3.977 3.894 4.050 0.060 10 0 "[ . 1 . 2]" 1
2145 1 116 ILE MD 1 116 ILE MG . . 2.760 2.214 2.053 2.444 . 0 0 "[ . 1 . 2]" 1
2146 1 116 ILE MD 1 117 ALA H . . 4.590 4.307 4.191 4.406 . 0 0 "[ . 1 . 2]" 1
2147 1 116 ILE HG12 1 116 ILE MG . . 3.110 2.288 2.143 2.415 . 0 0 "[ . 1 . 2]" 1
2148 1 116 ILE HG13 1 116 ILE MG . . 3.630 3.207 3.170 3.230 . 0 0 "[ . 1 . 2]" 1
2149 1 116 ILE HG13 1 117 ALA H . . 4.620 4.547 4.469 4.600 . 0 0 "[ . 1 . 2]" 1
2150 1 116 ILE MG 1 117 ALA H . . 3.650 2.901 2.731 3.513 . 0 0 "[ . 1 . 2]" 1
2151 1 116 ILE MG 1 117 ALA HA . . 3.830 3.167 2.970 3.438 . 0 0 "[ . 1 . 2]" 1
2152 1 116 ILE MG 1 117 ALA MB . . 4.260 3.694 3.577 4.091 . 0 0 "[ . 1 . 2]" 1
2153 1 116 ILE MG 1 118 SER H . . 5.260 4.977 4.677 5.213 . 0 0 "[ . 1 . 2]" 1
2154 1 117 ALA H 1 117 ALA MB . . 2.670 1.949 1.933 1.981 . 0 0 "[ . 1 . 2]" 1
2155 1 117 ALA MB 1 118 SER H . . 3.580 2.429 2.199 2.731 . 0 0 "[ . 1 . 2]" 1
2156 1 117 ALA MB 1 118 SER HA . . 4.170 3.646 3.560 3.816 . 0 0 "[ . 1 . 2]" 1
2157 1 117 ALA MB 1 119 GLY H . . 4.790 4.590 4.254 4.812 0.022 11 0 "[ . 1 . 2]" 1
2158 1 118 SER H 1 118 SER HB2 . . 3.230 2.261 2.048 3.538 0.308 2 0 "[ . 1 . 2]" 1
2159 1 118 SER HA 1 118 SER HB2 . . 3.040 2.800 2.326 3.035 . 0 0 "[ . 1 . 2]" 1
2160 1 118 SER HA 1 118 SER HB3 . . 3.040 2.844 2.515 3.044 0.004 12 0 "[ . 1 . 2]" 1
2161 1 118 SER HB3 1 119 GLY H . . 4.320 3.578 2.091 4.628 0.308 2 0 "[ . 1 . 2]" 1
2162 1 119 GLY H 1 120 PRO HD3 . . 4.310 4.446 4.030 4.733 0.423 16 0 "[ . 1 . 2]" 1
2163 1 119 GLY HA2 1 120 PRO HD2 . . 3.180 3.037 2.350 3.889 0.709 15 2 "[ - . 1 + 2]" 1
2164 1 119 GLY HA2 1 120 PRO HD3 . . 3.150 2.347 1.937 3.238 0.088 15 0 "[ . 1 . 2]" 1
2165 1 119 GLY HA3 1 120 PRO HD2 . . 3.160 2.616 2.195 3.244 0.084 11 0 "[ . 1 . 2]" 1
2166 1 120 PRO HA 1 121 SER H . . 3.330 2.377 2.151 2.719 . 0 0 "[ . 1 . 2]" 1
2167 1 120 PRO HB3 1 121 SER H . . 4.620 4.040 3.137 4.638 0.018 18 0 "[ . 1 . 2]" 1
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