NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430760 |
2jox   |
15208 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jox
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 2253
_Distance_constraint_stats_list.Viol_count 7423
_Distance_constraint_stats_list.Viol_total 6825.211
_Distance_constraint_stats_list.Viol_max 0.775
_Distance_constraint_stats_list.Viol_rms 0.0328
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0460
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 CYS 1.366 0.049 13 0 "[ . 1 . 2]"
1 2 GLY 2.099 0.064 9 0 "[ . 1 . 2]"
1 3 ASP 1.114 0.049 13 0 "[ . 1 . 2]"
1 4 CYS 3.274 0.065 19 0 "[ . 1 . 2]"
1 5 VAL 6.810 0.080 7 0 "[ . 1 . 2]"
1 6 GLU 1.261 0.075 7 0 "[ . 1 . 2]"
1 7 LYS 3.009 0.281 7 0 "[ . 1 . 2]"
1 8 GLU 3.389 0.162 16 0 "[ . 1 . 2]"
1 9 TYR 8.862 0.084 17 0 "[ . 1 . 2]"
1 10 PRO 1.043 0.034 15 0 "[ . 1 . 2]"
1 11 ASN 3.587 0.115 14 0 "[ . 1 . 2]"
1 12 ARG 9.773 0.234 13 0 "[ . 1 . 2]"
1 13 GLY 1.300 0.086 18 0 "[ . 1 . 2]"
1 14 ASN 2.342 0.108 18 0 "[ . 1 . 2]"
1 15 THR 4.407 0.234 13 0 "[ . 1 . 2]"
1 16 CYS 2.289 0.090 13 0 "[ . 1 . 2]"
1 17 LEU 2.511 0.065 20 0 "[ . 1 . 2]"
1 18 GLU 1.562 0.078 8 0 "[ . 1 . 2]"
1 19 ASN 4.984 0.363 12 0 "[ . 1 . 2]"
1 20 GLY 0.221 0.030 20 0 "[ . 1 . 2]"
1 21 SER 0.206 0.059 14 0 "[ . 1 . 2]"
1 22 PHE 15.177 0.482 1 0 "[ . 1 . 2]"
1 23 LEU 3.373 0.064 18 0 "[ . 1 . 2]"
1 24 LEU 9.181 0.482 1 0 "[ . 1 . 2]"
1 25 ASN 2.860 0.102 5 0 "[ . 1 . 2]"
1 26 PHE 10.599 0.102 5 0 "[ . 1 . 2]"
1 27 THR 2.868 0.082 9 0 "[ . 1 . 2]"
1 28 GLY 0.651 0.041 14 0 "[ . 1 . 2]"
1 29 CYS 2.888 0.065 18 0 "[ . 1 . 2]"
1 30 ALA 5.126 0.089 14 0 "[ . 1 . 2]"
1 31 VAL 5.247 0.075 4 0 "[ . 1 . 2]"
1 32 CYS 0.695 0.030 14 0 "[ . 1 . 2]"
1 33 SER 1.074 0.058 20 0 "[ . 1 . 2]"
1 34 LYS 13.940 0.395 17 0 "[ . 1 . 2]"
1 35 ARG 8.686 0.534 5 1 "[ + 1 . 2]"
1 36 ASP 2.980 0.091 14 0 "[ . 1 . 2]"
1 37 PHE 13.920 0.395 17 0 "[ . 1 . 2]"
1 38 MET 5.214 0.137 13 0 "[ . 1 . 2]"
1 39 LEU 4.952 0.057 5 0 "[ . 1 . 2]"
1 40 ILE 7.471 0.408 5 0 "[ . 1 . 2]"
1 41 THR 6.550 0.236 13 0 "[ . 1 . 2]"
1 42 ASN 8.163 0.775 19 6 "[ *. *1 -*.* +2]"
1 43 LYS 12.148 0.408 5 0 "[ . 1 . 2]"
1 44 SER 3.594 0.109 11 0 "[ . 1 . 2]"
1 45 LEU 11.641 0.323 6 0 "[ . 1 . 2]"
1 46 LYS 12.466 0.219 11 0 "[ . 1 . 2]"
1 47 GLU 12.406 0.323 6 0 "[ . 1 . 2]"
1 48 GLU 4.116 0.764 6 1 "[ .+ 1 . 2]"
1 49 ASP 3.717 0.764 6 1 "[ .+ 1 . 2]"
1 50 GLY 1.447 0.062 6 0 "[ . 1 . 2]"
1 51 GLU 2.923 0.089 8 0 "[ . 1 . 2]"
1 52 GLU 3.482 0.068 4 0 "[ . 1 . 2]"
1 53 ILE 15.828 0.764 6 1 "[ .+ 1 . 2]"
1 54 VAL 8.022 0.346 8 0 "[ . 1 . 2]"
1 55 THR 3.835 0.060 13 0 "[ . 1 . 2]"
1 56 TYR 6.766 0.309 16 0 "[ . 1 . 2]"
1 57 ASP 2.940 0.077 9 0 "[ . 1 . 2]"
1 58 HIS 2.057 0.047 4 0 "[ . 1 . 2]"
1 59 LEU 8.116 0.775 19 6 "[ *. *1 -*.* +2]"
1 60 CYS 0.897 0.059 14 0 "[ . 1 . 2]"
1 61 LYS 4.716 0.088 3 0 "[ . 1 . 2]"
1 62 ASN 3.885 0.086 9 0 "[ . 1 . 2]"
1 63 CYS 1.245 0.086 9 0 "[ . 1 . 2]"
1 64 HIS 3.332 0.054 13 0 "[ . 1 . 2]"
1 65 HIS 5.637 0.112 20 0 "[ . 1 . 2]"
1 66 VAL 2.257 0.060 7 0 "[ . 1 . 2]"
1 67 ILE 10.606 0.112 20 0 "[ . 1 . 2]"
1 68 ALA 1.589 0.065 14 0 "[ . 1 . 2]"
1 69 ARG 3.453 0.098 7 0 "[ . 1 . 2]"
1 70 HIS 6.357 0.073 7 0 "[ . 1 . 2]"
1 71 GLU 2.491 0.056 20 0 "[ . 1 . 2]"
1 72 TYR 11.132 0.106 17 0 "[ . 1 . 2]"
1 73 THR 7.465 0.168 19 0 "[ . 1 . 2]"
1 74 PHE 13.320 0.106 17 0 "[ . 1 . 2]"
1 75 SER 7.358 0.114 4 0 "[ . 1 . 2]"
1 76 ILE 13.055 0.200 4 0 "[ . 1 . 2]"
1 77 MET 3.270 0.113 5 0 "[ . 1 . 2]"
1 78 ASP 7.106 0.473 11 0 "[ . 1 . 2]"
1 79 GLU 20.095 0.522 11 3 "[ *.* 1+ . 2]"
1 80 PHE 21.909 0.522 11 3 "[ *.* 1+ . 2]"
1 81 GLN 22.426 0.266 14 0 "[ . 1 . 2]"
1 82 GLU 4.464 0.074 5 0 "[ . 1 . 2]"
1 83 TYR 13.665 0.168 2 0 "[ . 1 . 2]"
1 84 THR 4.935 0.086 19 0 "[ . 1 . 2]"
1 85 MET 9.057 0.085 18 0 "[ . 1 . 2]"
1 86 LEU 21.355 0.603 17 2 "[ . 1 - . + 2]"
1 87 CYS 7.206 0.056 20 0 "[ . 1 . 2]"
1 88 LEU 7.234 0.162 16 0 "[ . 1 . 2]"
1 89 LEU 10.588 0.137 13 0 "[ . 1 . 2]"
1 90 CYS 5.372 0.082 9 0 "[ . 1 . 2]"
1 91 GLY 1.471 0.050 10 0 "[ . 1 . 2]"
1 92 LYS 20.185 0.603 17 2 "[ . 1 - . + 2]"
1 93 ALA 0.128 0.018 17 0 "[ . 1 . 2]"
1 94 GLU 3.417 0.074 18 0 "[ . 1 . 2]"
1 95 ASP 2.821 0.055 6 0 "[ . 1 . 2]"
1 96 THR 7.506 0.071 5 0 "[ . 1 . 2]"
1 97 ILE 11.760 0.266 14 0 "[ . 1 . 2]"
1 98 SER 2.985 0.121 16 0 "[ . 1 . 2]"
1 99 ILE 2.480 0.093 17 0 "[ . 1 . 2]"
1 100 LEU 8.165 0.362 5 0 "[ . 1 . 2]"
1 101 PRO 6.450 0.362 5 0 "[ . 1 . 2]"
1 102 ASP 1.218 0.582 16 1 "[ . 1 .+ 2]"
1 103 ASP 3.672 0.229 13 0 "[ . 1 . 2]"
1 104 PRO 4.830 0.582 16 1 "[ . 1 .+ 2]"
1 105 ARG 0.148 0.070 16 0 "[ . 1 . 2]"
1 106 GLN 0.582 0.105 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 CYS HA 1 1 CYS HB2 . . 2.740 2.675 2.669 2.677 . 0 0 "[ . 1 . 2]" 1
2 1 1 CYS HA 1 1 CYS HB3 . . 2.720 2.239 2.231 2.244 . 0 0 "[ . 1 . 2]" 1
3 1 1 CYS HA 1 2 GLY H . . 3.220 3.088 3.081 3.100 . 0 0 "[ . 1 . 2]" 1
4 1 1 CYS HA 1 65 HIS HE1 . . 5.170 2.670 2.616 2.712 . 0 0 "[ . 1 . 2]" 1
5 1 1 CYS HA 1 88 LEU MD2 . . 5.000 5.025 5.009 5.035 0.035 15 0 "[ . 1 . 2]" 1
6 1 1 CYS HB2 1 2 GLY H . . 5.000 4.287 4.281 4.292 . 0 0 "[ . 1 . 2]" 1
7 1 1 CYS HB2 1 3 ASP H . . 3.560 3.317 3.311 3.323 . 0 0 "[ . 1 . 2]" 1
8 1 1 CYS HB2 1 4 CYS H . . 5.000 4.537 4.496 4.566 . 0 0 "[ . 1 . 2]" 1
9 1 1 CYS HB2 1 65 HIS HE1 . . 4.700 3.804 3.765 3.849 . 0 0 "[ . 1 . 2]" 1
10 1 1 CYS HB3 1 3 ASP H . . 4.700 4.743 4.738 4.749 0.049 13 0 "[ . 1 . 2]" 1
11 1 1 CYS HB3 1 65 HIS HE1 . . 3.600 2.251 2.206 2.304 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLY H 1 3 ASP H . . 3.280 3.211 3.206 3.218 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLY H 1 3 ASP QB . . 5.000 4.899 4.888 4.919 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLY H 1 4 CYS H . . 4.350 3.003 2.974 3.024 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLY H 1 5 VAL MG2 . . 5.000 4.268 4.235 4.335 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLY H 1 65 HIS HE1 . . 4.800 4.672 4.628 4.689 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLY H 1 88 LEU MD2 . . 3.300 3.187 3.161 3.204 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLY HA2 1 3 ASP H . . 3.550 3.555 3.553 3.557 0.007 20 0 "[ . 1 . 2]" 1
19 1 2 GLY HA2 1 4 CYS H . . 5.000 3.651 3.623 3.672 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLY HA2 1 5 VAL H . . 3.910 3.575 3.562 3.591 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLY HA2 1 5 VAL MG2 . . 2.820 2.608 2.580 2.654 . 0 0 "[ . 1 . 2]" 1
22 1 2 GLY HA2 1 8 GLU HG2 . . 5.000 4.505 4.443 4.565 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLY HA2 1 8 GLU HG3 . . 5.000 4.499 4.427 4.607 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLY HA2 1 88 LEU MD1 . . 4.330 3.013 2.990 3.036 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLY HA2 1 88 LEU MD2 . . 3.710 2.340 2.278 2.384 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLY HA3 1 5 VAL H . . 4.670 4.726 4.718 4.734 0.064 9 0 "[ . 1 . 2]" 1
27 1 2 GLY HA3 1 5 VAL MG2 . . 5.000 3.842 3.819 3.876 . 0 0 "[ . 1 . 2]" 1
28 1 2 GLY HA3 1 8 GLU HG2 . . 5.000 4.726 4.661 4.776 . 0 0 "[ . 1 . 2]" 1
29 1 2 GLY HA3 1 8 GLU HG3 . . 5.000 4.831 4.757 4.938 . 0 0 "[ . 1 . 2]" 1
30 1 2 GLY HA3 1 88 LEU MD1 . . 3.790 3.834 3.829 3.838 0.048 20 0 "[ . 1 . 2]" 1
31 1 2 GLY HA3 1 88 LEU MD2 . . 3.830 3.329 3.246 3.376 . 0 0 "[ . 1 . 2]" 1
32 1 3 ASP H 1 4 CYS H . . 2.880 2.509 2.500 2.516 . 0 0 "[ . 1 . 2]" 1
33 1 3 ASP H 1 4 CYS HB2 . . 5.260 4.712 4.604 4.794 . 0 0 "[ . 1 . 2]" 1
34 1 3 ASP H 1 5 VAL H . . 5.000 4.349 4.331 4.361 . 0 0 "[ . 1 . 2]" 1
35 1 3 ASP HA 1 3 ASP QB . . 2.680 2.448 2.445 2.451 . 0 0 "[ . 1 . 2]" 1
36 1 3 ASP HA 1 5 VAL H . . 3.900 3.722 3.698 3.731 . 0 0 "[ . 1 . 2]" 1
37 1 3 ASP HA 1 5 VAL MG2 . . 4.700 4.566 4.548 4.588 . 0 0 "[ . 1 . 2]" 1
38 1 3 ASP HA 1 30 ALA MB . . 4.370 4.370 4.356 4.378 0.008 4 0 "[ . 1 . 2]" 1
39 1 3 ASP QB 1 4 CYS H . . 3.190 3.101 3.084 3.124 . 0 0 "[ . 1 . 2]" 1
40 1 3 ASP QB 1 5 VAL H . . 4.750 4.756 4.749 4.763 0.013 16 0 "[ . 1 . 2]" 1
41 1 3 ASP QB 1 30 ALA H . . 4.580 4.524 4.473 4.555 . 0 0 "[ . 1 . 2]" 1
42 1 3 ASP QB 1 30 ALA HA . . 4.630 4.412 4.393 4.428 . 0 0 "[ . 1 . 2]" 1
43 1 3 ASP QB 1 30 ALA MB . . 2.480 2.072 2.060 2.083 . 0 0 "[ . 1 . 2]" 1
44 1 4 CYS H 1 4 CYS HB2 . . 3.220 2.482 2.398 2.535 . 0 0 "[ . 1 . 2]" 1
45 1 4 CYS H 1 5 VAL H . . 2.870 2.764 2.748 2.782 . 0 0 "[ . 1 . 2]" 1
46 1 4 CYS H 1 30 ALA H . . 4.780 4.783 4.738 4.790 0.010 12 0 "[ . 1 . 2]" 1
47 1 4 CYS H 1 30 ALA MB . . 4.160 3.772 3.754 3.812 . 0 0 "[ . 1 . 2]" 1
48 1 4 CYS HA 1 26 PHE QE . . 4.440 3.454 3.359 3.527 . 0 0 "[ . 1 . 2]" 1
49 1 4 CYS HA 1 29 CYS HA . . 3.850 2.972 2.911 3.056 . 0 0 "[ . 1 . 2]" 1
50 1 4 CYS HA 1 30 ALA H . . 4.440 4.288 4.219 4.328 . 0 0 "[ . 1 . 2]" 1
51 1 4 CYS HA 1 30 ALA MB . . 3.860 3.916 3.909 3.925 0.065 19 0 "[ . 1 . 2]" 1
52 1 4 CYS HB2 1 5 VAL H . . 3.980 3.016 2.977 3.093 . 0 0 "[ . 1 . 2]" 1
53 1 4 CYS HB2 1 5 VAL MG1 . . 3.750 2.664 2.607 2.737 . 0 0 "[ . 1 . 2]" 1
54 1 4 CYS HB2 1 26 PHE QE . . 3.670 3.700 3.691 3.716 0.046 14 0 "[ . 1 . 2]" 1
55 1 4 CYS HB2 1 29 CYS HA . . 4.410 4.449 4.429 4.475 0.065 18 0 "[ . 1 . 2]" 1
56 1 4 CYS HB2 1 67 ILE MD . . 4.980 5.013 5.000 5.027 0.047 18 0 "[ . 1 . 2]" 1
57 1 4 CYS HB2 1 67 ILE MG . . 3.490 2.693 2.647 2.757 . 0 0 "[ . 1 . 2]" 1
58 1 4 CYS HB3 1 5 VAL H . . 4.430 3.874 3.767 3.943 . 0 0 "[ . 1 . 2]" 1
59 1 4 CYS HB3 1 5 VAL MG1 . . 4.260 3.317 3.207 3.379 . 0 0 "[ . 1 . 2]" 1
60 1 4 CYS HB3 1 26 PHE QE . . 3.730 2.069 2.044 2.105 . 0 0 "[ . 1 . 2]" 1
61 1 4 CYS HB3 1 29 CYS HA . . 4.580 3.521 3.428 3.679 . 0 0 "[ . 1 . 2]" 1
62 1 4 CYS HB3 1 67 ILE MD . . 4.660 3.976 3.963 3.988 . 0 0 "[ . 1 . 2]" 1
63 1 4 CYS HB3 1 67 ILE MG . . 3.230 2.272 2.215 2.315 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL H 1 26 PHE QD . . 5.100 4.855 4.799 4.921 . 0 0 "[ . 1 . 2]" 1
65 1 5 VAL H 1 27 THR H . . 4.570 4.615 4.594 4.626 0.056 6 0 "[ . 1 . 2]" 1
66 1 5 VAL HA 1 5 VAL HB . . 2.910 2.331 2.324 2.337 . 0 0 "[ . 1 . 2]" 1
67 1 5 VAL HA 1 5 VAL MG1 . . 2.720 2.379 2.366 2.389 . 0 0 "[ . 1 . 2]" 1
68 1 5 VAL HA 1 5 VAL MG2 . . 3.350 3.279 3.275 3.282 . 0 0 "[ . 1 . 2]" 1
69 1 5 VAL HA 1 6 GLU HA . . 4.440 4.451 4.428 4.481 0.041 7 0 "[ . 1 . 2]" 1
70 1 5 VAL HA 1 25 ASN HA . . 5.250 4.795 4.744 4.896 . 0 0 "[ . 1 . 2]" 1
71 1 5 VAL HA 1 26 PHE HA . . 3.450 2.609 2.592 2.630 . 0 0 "[ . 1 . 2]" 1
72 1 5 VAL HA 1 26 PHE HB2 . . 4.710 4.746 4.738 4.759 0.049 9 0 "[ . 1 . 2]" 1
73 1 5 VAL HA 1 26 PHE QD . . 3.880 3.794 3.724 3.849 . 0 0 "[ . 1 . 2]" 1
74 1 5 VAL HA 1 27 THR MG . . 4.570 3.777 3.495 4.056 . 0 0 "[ . 1 . 2]" 1
75 1 5 VAL HA 1 67 ILE MG . . 5.190 5.208 5.195 5.219 0.029 7 0 "[ . 1 . 2]" 1
76 1 5 VAL HA 1 89 LEU HA . . 4.490 4.560 4.543 4.570 0.080 7 0 "[ . 1 . 2]" 1
77 1 5 VAL HA 1 89 LEU MD1 . . 3.320 3.337 3.334 3.340 0.020 7 0 "[ . 1 . 2]" 1
78 1 5 VAL HB 1 8 GLU HA . . 4.240 4.243 4.232 4.247 0.007 4 0 "[ . 1 . 2]" 1
79 1 5 VAL HB 1 26 PHE QD . . 5.470 5.409 5.359 5.450 . 0 0 "[ . 1 . 2]" 1
80 1 5 VAL HB 1 89 LEU HA . . 4.350 3.081 3.040 3.092 . 0 0 "[ . 1 . 2]" 1
81 1 5 VAL HB 1 89 LEU MD1 . . 3.240 3.265 3.251 3.270 0.030 11 0 "[ . 1 . 2]" 1
82 1 5 VAL MG1 1 7 LYS H . . 4.750 4.630 4.607 4.680 . 0 0 "[ . 1 . 2]" 1
83 1 5 VAL MG1 1 8 GLU HG3 . . 5.070 4.931 4.899 4.958 . 0 0 "[ . 1 . 2]" 1
84 1 5 VAL MG1 1 25 ASN HB3 . . 4.600 4.253 4.228 4.331 . 0 0 "[ . 1 . 2]" 1
85 1 5 VAL MG1 1 26 PHE HA . . 3.470 3.199 3.163 3.225 . 0 0 "[ . 1 . 2]" 1
86 1 5 VAL MG1 1 26 PHE HB2 . . 4.130 4.037 3.995 4.074 . 0 0 "[ . 1 . 2]" 1
87 1 5 VAL MG1 1 26 PHE QD . . 3.280 3.250 3.216 3.279 . 0 0 "[ . 1 . 2]" 1
88 1 5 VAL MG1 1 68 ALA MB . . 3.020 3.018 2.994 3.031 0.011 12 0 "[ . 1 . 2]" 1
89 1 5 VAL MG1 1 88 LEU HG . . 3.540 2.399 2.375 2.434 . 0 0 "[ . 1 . 2]" 1
90 1 5 VAL MG1 1 89 LEU H . . 4.010 3.722 3.700 3.745 . 0 0 "[ . 1 . 2]" 1
91 1 5 VAL MG1 1 89 LEU HA . . 3.040 2.068 2.056 2.077 . 0 0 "[ . 1 . 2]" 1
92 1 5 VAL MG1 1 89 LEU HB2 . . 4.050 2.482 2.476 2.489 . 0 0 "[ . 1 . 2]" 1
93 1 5 VAL MG1 1 89 LEU HB3 . . 3.750 3.766 3.759 3.771 0.021 10 0 "[ . 1 . 2]" 1
94 1 5 VAL MG1 1 89 LEU MD1 . . 2.400 2.040 2.029 2.052 . 0 0 "[ . 1 . 2]" 1
95 1 5 VAL MG1 1 89 LEU MD2 . . 3.740 3.478 3.468 3.496 . 0 0 "[ . 1 . 2]" 1
96 1 5 VAL MG1 1 89 LEU HG . . 4.140 4.173 4.169 4.179 0.039 5 0 "[ . 1 . 2]" 1
97 1 5 VAL MG2 1 7 LYS H . . 3.420 3.332 3.315 3.373 . 0 0 "[ . 1 . 2]" 1
98 1 5 VAL MG2 1 7 LYS HA . . 4.190 3.867 3.794 3.930 . 0 0 "[ . 1 . 2]" 1
99 1 5 VAL MG2 1 7 LYS HB3 . . 5.220 5.167 5.119 5.225 0.005 5 0 "[ . 1 . 2]" 1
100 1 5 VAL MG2 1 8 GLU H . . 3.930 3.741 3.718 3.765 . 0 0 "[ . 1 . 2]" 1
101 1 5 VAL MG2 1 8 GLU HA . . 2.940 2.400 2.385 2.413 . 0 0 "[ . 1 . 2]" 1
102 1 5 VAL MG2 1 8 GLU QB . . 4.170 3.914 3.894 3.924 . 0 0 "[ . 1 . 2]" 1
103 1 5 VAL MG2 1 8 GLU HG2 . . 4.100 3.417 3.367 3.464 . 0 0 "[ . 1 . 2]" 1
104 1 5 VAL MG2 1 8 GLU HG3 . . 3.100 2.636 2.616 2.651 . 0 0 "[ . 1 . 2]" 1
105 1 5 VAL MG2 1 9 TYR H . . 5.000 3.637 3.612 3.660 . 0 0 "[ . 1 . 2]" 1
106 1 5 VAL MG2 1 88 LEU HA . . 4.740 4.252 4.231 4.279 . 0 0 "[ . 1 . 2]" 1
107 1 5 VAL MG2 1 88 LEU QB . . 4.500 4.265 4.244 4.276 . 0 0 "[ . 1 . 2]" 1
108 1 5 VAL MG2 1 88 LEU MD1 . . 3.190 2.266 2.244 2.290 . 0 0 "[ . 1 . 2]" 1
109 1 5 VAL MG2 1 88 LEU MD2 . . 3.220 3.214 3.200 3.222 0.002 7 0 "[ . 1 . 2]" 1
110 1 5 VAL MG2 1 88 LEU HG . . 3.560 2.622 2.597 2.633 . 0 0 "[ . 1 . 2]" 1
111 1 5 VAL MG2 1 89 LEU HA . . 3.830 3.579 3.540 3.596 . 0 0 "[ . 1 . 2]" 1
112 1 6 GLU H 1 6 GLU HB2 . . 3.230 2.619 2.518 2.690 . 0 0 "[ . 1 . 2]" 1
113 1 6 GLU H 1 6 GLU HB3 . . 3.240 2.417 2.378 2.557 . 0 0 "[ . 1 . 2]" 1
114 1 6 GLU H 1 6 GLU QG . . 4.900 3.973 3.956 4.071 . 0 0 "[ . 1 . 2]" 1
115 1 6 GLU H 1 7 LYS H . . 3.160 2.649 2.626 2.663 . 0 0 "[ . 1 . 2]" 1
116 1 6 GLU H 1 25 ASN HA . . 3.900 3.311 3.253 3.418 . 0 0 "[ . 1 . 2]" 1
117 1 6 GLU H 1 25 ASN HB3 . . 5.160 4.476 4.452 4.538 . 0 0 "[ . 1 . 2]" 1
118 1 6 GLU H 1 25 ASN HD22 . . 4.290 3.915 3.889 3.949 . 0 0 "[ . 1 . 2]" 1
119 1 6 GLU H 1 26 PHE H . . 5.010 4.819 4.787 4.876 . 0 0 "[ . 1 . 2]" 1
120 1 6 GLU H 1 27 THR H . . 3.820 3.604 3.483 3.717 . 0 0 "[ . 1 . 2]" 1
121 1 6 GLU HA 1 6 GLU QG . . 3.130 2.552 2.489 2.921 . 0 0 "[ . 1 . 2]" 1
122 1 6 GLU HA 1 7 LYS H . . 3.550 3.554 3.548 3.562 0.012 13 0 "[ . 1 . 2]" 1
123 1 6 GLU HA 1 25 ASN HA . . 5.470 5.331 5.246 5.489 0.019 1 0 "[ . 1 . 2]" 1
124 1 6 GLU HA 1 27 THR MG . . 3.230 2.761 2.505 2.978 . 0 0 "[ . 1 . 2]" 1
125 1 6 GLU HB2 1 7 LYS H . . 4.150 3.995 3.866 4.092 . 0 0 "[ . 1 . 2]" 1
126 1 6 GLU HB2 1 25 ASN HA . . 3.920 3.476 3.263 3.636 . 0 0 "[ . 1 . 2]" 1
127 1 6 GLU HB2 1 27 THR MG . . 3.220 2.030 1.974 2.059 . 0 0 "[ . 1 . 2]" 1
128 1 6 GLU HB3 1 7 LYS H . . 2.910 2.741 2.609 2.866 . 0 0 "[ . 1 . 2]" 1
129 1 6 GLU HB3 1 7 LYS QG . . 4.330 3.433 3.108 3.809 . 0 0 "[ . 1 . 2]" 1
130 1 6 GLU HB3 1 25 ASN HA . . 3.850 2.628 2.548 2.989 . 0 0 "[ . 1 . 2]" 1
131 1 6 GLU HB3 1 27 THR MG . . 3.290 3.315 3.297 3.349 0.059 1 0 "[ . 1 . 2]" 1
132 1 6 GLU QG 1 7 LYS HA . . 4.820 4.268 4.178 4.312 . 0 0 "[ . 1 . 2]" 1
133 1 6 GLU QG 1 7 LYS HB2 . . 5.220 4.237 4.050 4.439 . 0 0 "[ . 1 . 2]" 1
134 1 6 GLU QG 1 7 LYS QD . . 4.870 4.032 3.578 4.270 . 0 0 "[ . 1 . 2]" 1
135 1 6 GLU QG 1 7 LYS HG2 . . 3.680 3.362 2.276 3.750 0.070 10 0 "[ . 1 . 2]" 1
136 1 6 GLU QG 1 7 LYS QG . . 3.210 2.270 2.178 2.496 . 0 0 "[ . 1 . 2]" 1
137 1 6 GLU QG 1 7 LYS HG3 . . 3.680 2.437 2.202 3.755 0.075 7 0 "[ . 1 . 2]" 1
138 1 6 GLU QG 1 25 ASN HA . . 5.000 4.479 4.299 4.509 . 0 0 "[ . 1 . 2]" 1
139 1 6 GLU QG 1 27 THR MG . . 4.020 3.314 3.026 3.586 . 0 0 "[ . 1 . 2]" 1
140 1 7 LYS H 1 7 LYS HB3 . . 3.920 3.809 3.785 3.839 . 0 0 "[ . 1 . 2]" 1
141 1 7 LYS H 1 7 LYS HG2 . . 4.120 4.060 3.274 4.288 0.168 10 0 "[ . 1 . 2]" 1
142 1 7 LYS H 1 7 LYS HG3 . . 4.120 3.316 3.019 4.401 0.281 7 0 "[ . 1 . 2]" 1
143 1 7 LYS H 1 8 GLU H . . 4.520 4.372 4.359 4.394 . 0 0 "[ . 1 . 2]" 1
144 1 7 LYS H 1 10 PRO HB3 . . 4.980 4.610 4.596 4.629 . 0 0 "[ . 1 . 2]" 1
145 1 7 LYS H 1 10 PRO HD3 . . 4.650 4.210 4.196 4.250 . 0 0 "[ . 1 . 2]" 1
146 1 7 LYS H 1 25 ASN HA . . 4.460 4.225 4.143 4.326 . 0 0 "[ . 1 . 2]" 1
147 1 7 LYS H 1 25 ASN HB3 . . 5.300 4.999 4.907 5.045 . 0 0 "[ . 1 . 2]" 1
148 1 7 LYS H 1 25 ASN HD22 . . 3.550 2.686 2.528 2.752 . 0 0 "[ . 1 . 2]" 1
149 1 7 LYS H 1 27 THR MG . . 5.240 4.812 4.593 5.022 . 0 0 "[ . 1 . 2]" 1
150 1 7 LYS HA 1 7 LYS HB3 . . 2.940 2.513 2.462 2.570 . 0 0 "[ . 1 . 2]" 1
151 1 7 LYS HA 1 7 LYS HG2 . . 3.610 2.603 2.492 3.040 . 0 0 "[ . 1 . 2]" 1
152 1 7 LYS HA 1 7 LYS HG3 . . 3.610 3.233 3.060 3.863 0.253 19 0 "[ . 1 . 2]" 1
153 1 7 LYS HA 1 8 GLU H . . 2.620 2.216 2.193 2.238 . 0 0 "[ . 1 . 2]" 1
154 1 7 LYS HB2 1 10 PRO HA . . 4.000 3.957 3.831 4.016 0.016 19 0 "[ . 1 . 2]" 1
155 1 7 LYS HB2 1 10 PRO HD2 . . 5.330 4.856 4.655 4.999 . 0 0 "[ . 1 . 2]" 1
156 1 7 LYS HB2 1 10 PRO HD3 . . 4.730 3.183 2.978 3.320 . 0 0 "[ . 1 . 2]" 1
157 1 7 LYS HB3 1 8 GLU H . . 3.330 3.003 2.934 3.149 . 0 0 "[ . 1 . 2]" 1
158 1 7 LYS HB3 1 10 PRO HA . . 3.650 3.657 3.629 3.677 0.027 7 0 "[ . 1 . 2]" 1
159 1 7 LYS HB3 1 10 PRO HD3 . . 4.230 3.700 3.652 3.770 . 0 0 "[ . 1 . 2]" 1
160 1 8 GLU H 1 8 GLU QB . . 2.770 2.243 2.228 2.259 . 0 0 "[ . 1 . 2]" 1
161 1 8 GLU H 1 8 GLU HG3 . . 3.340 3.045 3.042 3.050 . 0 0 "[ . 1 . 2]" 1
162 1 8 GLU H 1 88 LEU MD1 . . 4.650 4.486 4.467 4.502 . 0 0 "[ . 1 . 2]" 1
163 1 8 GLU HA 1 8 GLU HG2 . . 3.280 2.859 2.817 2.896 . 0 0 "[ . 1 . 2]" 1
164 1 8 GLU HA 1 8 GLU HG3 . . 3.350 2.515 2.490 2.537 . 0 0 "[ . 1 . 2]" 1
165 1 8 GLU HA 1 9 TYR H . . 2.700 2.183 2.180 2.186 . 0 0 "[ . 1 . 2]" 1
166 1 8 GLU HA 1 9 TYR QD . . 4.210 3.423 3.406 3.440 . 0 0 "[ . 1 . 2]" 1
167 1 8 GLU HA 1 9 TYR QE . . 4.720 4.715 4.691 4.728 0.008 5 0 "[ . 1 . 2]" 1
168 1 8 GLU HA 1 88 LEU HA . . 4.370 3.696 3.681 3.716 . 0 0 "[ . 1 . 2]" 1
169 1 8 GLU HA 1 88 LEU QB . . 4.780 4.796 4.789 4.804 0.024 13 0 "[ . 1 . 2]" 1
170 1 8 GLU HA 1 88 LEU MD1 . . 2.840 2.122 2.113 2.136 . 0 0 "[ . 1 . 2]" 1
171 1 8 GLU HA 1 88 LEU HG . . 4.050 4.012 3.989 4.035 . 0 0 "[ . 1 . 2]" 1
172 1 8 GLU QB 1 9 TYR H . . 3.800 3.373 3.350 3.396 . 0 0 "[ . 1 . 2]" 1
173 1 8 GLU QB 1 9 TYR QD . . 3.310 2.146 2.139 2.154 . 0 0 "[ . 1 . 2]" 1
174 1 8 GLU QB 1 9 TYR QE . . 3.510 3.541 3.535 3.549 0.039 5 0 "[ . 1 . 2]" 1
175 1 8 GLU QB 1 88 LEU MD1 . . 3.480 2.758 2.745 2.781 . 0 0 "[ . 1 . 2]" 1
176 1 8 GLU QB 1 88 LEU HG . . 5.330 5.272 5.252 5.299 . 0 0 "[ . 1 . 2]" 1
177 1 8 GLU HG2 1 9 TYR QD . . 3.970 3.716 3.712 3.719 . 0 0 "[ . 1 . 2]" 1
178 1 8 GLU HG2 1 9 TYR QE . . 4.260 3.862 3.832 3.874 . 0 0 "[ . 1 . 2]" 1
179 1 8 GLU HG2 1 88 LEU QB . . 5.210 4.800 4.785 4.819 . 0 0 "[ . 1 . 2]" 1
180 1 8 GLU HG2 1 88 LEU MD1 . . 3.230 1.987 1.980 1.998 . 0 0 "[ . 1 . 2]" 1
181 1 8 GLU HG2 1 88 LEU MD2 . . 4.000 3.816 3.807 3.826 . 0 0 "[ . 1 . 2]" 1
182 1 8 GLU HG2 1 88 LEU HG . . 4.900 4.462 4.448 4.480 . 0 0 "[ . 1 . 2]" 1
183 1 8 GLU HG3 1 88 LEU MD1 . . 3.010 2.663 2.609 2.714 . 0 0 "[ . 1 . 2]" 1
184 1 8 GLU HG3 1 88 LEU MD2 . . 4.450 4.568 4.518 4.612 0.162 16 0 "[ . 1 . 2]" 1
185 1 9 TYR H 1 9 TYR HA . . 2.850 2.283 2.279 2.285 . 0 0 "[ . 1 . 2]" 1
186 1 9 TYR H 1 9 TYR HB2 . . 3.940 3.583 3.574 3.591 . 0 0 "[ . 1 . 2]" 1
187 1 9 TYR H 1 10 PRO HD2 . . 3.300 2.903 2.885 2.918 . 0 0 "[ . 1 . 2]" 1
188 1 9 TYR H 1 10 PRO HD3 . . 3.300 2.945 2.935 2.956 . 0 0 "[ . 1 . 2]" 1
189 1 9 TYR H 1 88 LEU HA . . 3.250 2.323 2.312 2.342 . 0 0 "[ . 1 . 2]" 1
190 1 9 TYR H 1 88 LEU QB . . 5.000 4.227 4.215 4.235 . 0 0 "[ . 1 . 2]" 1
191 1 9 TYR H 1 88 LEU MD1 . . 3.260 2.541 2.515 2.554 . 0 0 "[ . 1 . 2]" 1
192 1 9 TYR H 1 88 LEU HG . . 5.000 4.254 4.235 4.271 . 0 0 "[ . 1 . 2]" 1
193 1 9 TYR H 1 91 GLY H . . 5.290 5.033 5.014 5.051 . 0 0 "[ . 1 . 2]" 1
194 1 9 TYR H 1 91 GLY QA . . 5.000 4.176 4.153 4.198 . 0 0 "[ . 1 . 2]" 1
195 1 9 TYR HA 1 9 TYR QD . . 3.560 3.230 3.215 3.237 . 0 0 "[ . 1 . 2]" 1
196 1 9 TYR HA 1 9 TYR QE . . 4.790 4.823 4.813 4.829 0.039 19 0 "[ . 1 . 2]" 1
197 1 9 TYR HA 1 10 PRO HB3 . . 5.440 5.315 5.281 5.324 . 0 0 "[ . 1 . 2]" 1
198 1 9 TYR HA 1 10 PRO HD2 . . 3.550 2.212 2.205 2.221 . 0 0 "[ . 1 . 2]" 1
199 1 9 TYR HA 1 10 PRO HG2 . . 4.400 4.174 4.170 4.179 . 0 0 "[ . 1 . 2]" 1
200 1 9 TYR HA 1 87 CYS H . . 4.660 3.959 3.929 3.979 . 0 0 "[ . 1 . 2]" 1
201 1 9 TYR HA 1 88 LEU HA . . 4.140 3.233 3.226 3.241 . 0 0 "[ . 1 . 2]" 1
202 1 9 TYR HA 1 88 LEU QB . . 5.110 5.149 5.144 5.152 0.042 7 0 "[ . 1 . 2]" 1
203 1 9 TYR HA 1 88 LEU MD1 . . 4.450 4.411 4.392 4.422 . 0 0 "[ . 1 . 2]" 1
204 1 9 TYR HA 1 91 GLY H . . 3.750 3.619 3.596 3.638 . 0 0 "[ . 1 . 2]" 1
205 1 9 TYR HA 1 91 GLY QA . . 3.750 2.321 2.296 2.345 . 0 0 "[ . 1 . 2]" 1
206 1 9 TYR HA 1 92 LYS H . . 3.480 3.546 3.541 3.552 0.072 16 0 "[ . 1 . 2]" 1
207 1 9 TYR HA 1 92 LYS HB2 . . 4.680 4.111 4.089 4.138 . 0 0 "[ . 1 . 2]" 1
208 1 9 TYR HB2 1 86 LEU MD1 . . 4.820 4.276 4.244 4.295 . 0 0 "[ . 1 . 2]" 1
209 1 9 TYR HB2 1 88 LEU MD1 . . 5.160 4.834 4.809 4.853 . 0 0 "[ . 1 . 2]" 1
210 1 9 TYR HB2 1 92 LYS H . . 4.670 4.737 4.730 4.754 0.084 17 0 "[ . 1 . 2]" 1
211 1 9 TYR HB2 1 92 LYS HB2 . . 4.050 3.705 3.672 3.728 . 0 0 "[ . 1 . 2]" 1
212 1 9 TYR HB2 1 92 LYS HB3 . . 4.250 3.780 3.716 3.810 . 0 0 "[ . 1 . 2]" 1
213 1 9 TYR HB3 1 86 LEU MD1 . . 4.680 3.372 3.347 3.392 . 0 0 "[ . 1 . 2]" 1
214 1 9 TYR HB3 1 88 LEU HA . . 4.470 4.457 4.448 4.471 0.001 5 0 "[ . 1 . 2]" 1
215 1 9 TYR HB3 1 91 GLY QA . . 4.980 3.744 3.726 3.761 . 0 0 "[ . 1 . 2]" 1
216 1 9 TYR HB3 1 92 LYS HB2 . . 4.260 2.203 2.186 2.225 . 0 0 "[ . 1 . 2]" 1
217 1 9 TYR HB3 1 92 LYS HB3 . . 4.320 2.692 2.638 2.715 . 0 0 "[ . 1 . 2]" 1
218 1 9 TYR HB3 1 92 LYS HG2 . . 5.340 4.935 4.881 4.960 . 0 0 "[ . 1 . 2]" 1
219 1 9 TYR HB3 1 92 LYS HG3 . . 4.980 4.642 4.547 4.690 . 0 0 "[ . 1 . 2]" 1
220 1 9 TYR QD 1 10 PRO HD2 . . 4.970 4.910 4.895 4.923 . 0 0 "[ . 1 . 2]" 1
221 1 9 TYR QD 1 10 PRO HD3 . . 5.470 5.241 5.229 5.250 . 0 0 "[ . 1 . 2]" 1
222 1 9 TYR QD 1 86 LEU HA . . 4.790 2.941 2.935 2.949 . 0 0 "[ . 1 . 2]" 1
223 1 9 TYR QD 1 86 LEU HB2 . . 4.530 4.567 4.563 4.571 0.041 14 0 "[ . 1 . 2]" 1
224 1 9 TYR QD 1 86 LEU HB3 . . 4.610 4.628 4.619 4.633 0.023 9 0 "[ . 1 . 2]" 1
225 1 9 TYR QD 1 86 LEU MD1 . . 3.020 2.512 2.474 2.551 . 0 0 "[ . 1 . 2]" 1
226 1 9 TYR QD 1 86 LEU MD2 . . 3.800 3.810 3.805 3.813 0.013 6 0 "[ . 1 . 2]" 1
227 1 9 TYR QD 1 86 LEU HG . . 3.360 2.317 2.293 2.332 . 0 0 "[ . 1 . 2]" 1
228 1 9 TYR QD 1 87 CYS HA . . 4.960 4.039 4.015 4.071 . 0 0 "[ . 1 . 2]" 1
229 1 9 TYR QD 1 88 LEU HA . . 3.580 2.995 2.980 3.014 . 0 0 "[ . 1 . 2]" 1
230 1 9 TYR QD 1 88 LEU QB . . 4.030 4.015 4.002 4.027 . 0 0 "[ . 1 . 2]" 1
231 1 9 TYR QD 1 88 LEU MD1 . . 3.110 2.814 2.804 2.824 . 0 0 "[ . 1 . 2]" 1
232 1 9 TYR QD 1 88 LEU MD2 . . 5.100 4.970 4.958 4.983 . 0 0 "[ . 1 . 2]" 1
233 1 9 TYR QD 1 88 LEU HG . . 5.240 5.258 5.255 5.263 0.023 4 0 "[ . 1 . 2]" 1
234 1 9 TYR QD 1 92 LYS HA . . 4.650 4.096 4.083 4.110 . 0 0 "[ . 1 . 2]" 1
235 1 9 TYR QD 1 92 LYS HB2 . . 3.940 2.755 2.737 2.802 . 0 0 "[ . 1 . 2]" 1
236 1 9 TYR QD 1 92 LYS HB3 . . 4.150 4.179 4.169 4.188 0.038 10 0 "[ . 1 . 2]" 1
237 1 9 TYR QE 1 71 GLU QB . . 4.990 5.002 4.987 5.011 0.021 5 0 "[ . 1 . 2]" 1
238 1 9 TYR QE 1 86 LEU HA . . 4.580 4.225 4.219 4.235 . 0 0 "[ . 1 . 2]" 1
239 1 9 TYR QE 1 86 LEU HB2 . . 4.990 5.014 5.011 5.021 0.031 17 0 "[ . 1 . 2]" 1
240 1 9 TYR QE 1 86 LEU HB3 . . 4.240 4.269 4.263 4.274 0.034 13 0 "[ . 1 . 2]" 1
241 1 9 TYR QE 1 86 LEU MD1 . . 3.460 3.405 3.369 3.458 . 0 0 "[ . 1 . 2]" 1
242 1 9 TYR QE 1 86 LEU MD2 . . 3.030 2.969 2.956 2.991 . 0 0 "[ . 1 . 2]" 1
243 1 9 TYR QE 1 86 LEU HG . . 3.120 2.089 2.078 2.112 . 0 0 "[ . 1 . 2]" 1
244 1 9 TYR QE 1 87 CYS H . . 3.810 3.817 3.815 3.823 0.013 13 0 "[ . 1 . 2]" 1
245 1 9 TYR QE 1 87 CYS HA . . 4.370 3.213 3.183 3.259 . 0 0 "[ . 1 . 2]" 1
246 1 9 TYR QE 1 88 LEU H . . 3.620 3.447 3.433 3.465 . 0 0 "[ . 1 . 2]" 1
247 1 9 TYR QE 1 88 LEU HA . . 3.810 3.168 3.157 3.186 . 0 0 "[ . 1 . 2]" 1
248 1 9 TYR QE 1 88 LEU QB . . 3.370 2.819 2.798 2.844 . 0 0 "[ . 1 . 2]" 1
249 1 9 TYR QE 1 88 LEU MD1 . . 2.980 2.278 2.266 2.292 . 0 0 "[ . 1 . 2]" 1
250 1 9 TYR QE 1 88 LEU MD2 . . 4.270 3.678 3.663 3.694 . 0 0 "[ . 1 . 2]" 1
251 1 9 TYR QE 1 88 LEU HG . . 4.770 4.792 4.787 4.795 0.025 18 0 "[ . 1 . 2]" 1
252 1 10 PRO HA 1 11 ASN H . . 2.670 2.346 2.320 2.376 . 0 0 "[ . 1 . 2]" 1
253 1 10 PRO HA 1 11 ASN HA . . 4.650 4.460 4.451 4.476 . 0 0 "[ . 1 . 2]" 1
254 1 10 PRO HA 1 12 ARG QD . . 5.160 4.954 4.756 5.193 0.033 4 0 "[ . 1 . 2]" 1
255 1 10 PRO HB2 1 11 ASN H . . 4.000 3.270 3.232 3.324 . 0 0 "[ . 1 . 2]" 1
256 1 10 PRO HB2 1 12 ARG QD . . 4.370 2.975 2.800 3.201 . 0 0 "[ . 1 . 2]" 1
257 1 10 PRO HB2 1 22 PHE QD . . 5.270 4.731 4.627 4.818 . 0 0 "[ . 1 . 2]" 1
258 1 10 PRO HB2 1 22 PHE QE . . 4.410 3.281 3.105 3.428 . 0 0 "[ . 1 . 2]" 1
259 1 10 PRO HB2 1 91 GLY QA . . 4.640 3.970 3.961 3.981 . 0 0 "[ . 1 . 2]" 1
260 1 10 PRO HB3 1 12 ARG QD . . 4.990 4.462 4.312 4.650 . 0 0 "[ . 1 . 2]" 1
261 1 10 PRO HB3 1 22 PHE QE . . 4.660 4.200 4.017 4.334 . 0 0 "[ . 1 . 2]" 1
262 1 10 PRO HB3 1 91 GLY QA . . 5.120 4.516 4.478 4.527 . 0 0 "[ . 1 . 2]" 1
263 1 10 PRO HD2 1 22 PHE QE . . 5.310 5.251 5.129 5.320 0.010 3 0 "[ . 1 . 2]" 1
264 1 10 PRO HD2 1 88 LEU HA . . 4.990 4.348 4.329 4.364 . 0 0 "[ . 1 . 2]" 1
265 1 10 PRO HD2 1 91 GLY QA . . 3.830 2.087 2.075 2.098 . 0 0 "[ . 1 . 2]" 1
266 1 10 PRO HD3 1 22 PHE QE . . 5.440 5.337 5.202 5.434 . 0 0 "[ . 1 . 2]" 1
267 1 10 PRO HD3 1 88 LEU HA . . 4.980 5.010 5.004 5.014 0.034 15 0 "[ . 1 . 2]" 1
268 1 10 PRO HD3 1 91 GLY QA . . 4.070 3.582 3.559 3.592 . 0 0 "[ . 1 . 2]" 1
269 1 10 PRO HG2 1 12 ARG QD . . 4.720 2.714 2.620 2.814 . 0 0 "[ . 1 . 2]" 1
270 1 10 PRO HG2 1 22 PHE QD . . 4.550 3.264 3.170 3.336 . 0 0 "[ . 1 . 2]" 1
271 1 10 PRO HG2 1 22 PHE QE . . 3.600 3.227 3.081 3.324 . 0 0 "[ . 1 . 2]" 1
272 1 10 PRO HG2 1 91 GLY H . . 4.590 4.135 4.074 4.168 . 0 0 "[ . 1 . 2]" 1
273 1 10 PRO HG2 1 91 GLY QA . . 3.920 2.334 2.307 2.350 . 0 0 "[ . 1 . 2]" 1
274 1 10 PRO HG2 1 92 LYS H . . 4.990 4.100 4.062 4.130 . 0 0 "[ . 1 . 2]" 1
275 1 10 PRO HG3 1 12 ARG QD . . 4.700 3.756 3.657 3.875 . 0 0 "[ . 1 . 2]" 1
276 1 10 PRO HG3 1 22 PHE QD . . 4.490 3.064 2.950 3.164 . 0 0 "[ . 1 . 2]" 1
277 1 10 PRO HG3 1 22 PHE QE . . 4.080 2.982 2.856 3.074 . 0 0 "[ . 1 . 2]" 1
278 1 10 PRO HG3 1 91 GLY QA . . 4.410 3.684 3.653 3.701 . 0 0 "[ . 1 . 2]" 1
279 1 11 ASN H 1 11 ASN HB2 . . 3.030 2.472 2.414 2.490 . 0 0 "[ . 1 . 2]" 1
280 1 11 ASN H 1 11 ASN HB3 . . 3.610 3.637 3.622 3.642 0.032 16 0 "[ . 1 . 2]" 1
281 1 11 ASN H 1 11 ASN HD21 . . 5.060 3.963 2.719 4.446 . 0 0 "[ . 1 . 2]" 1
282 1 11 ASN H 1 11 ASN HD22 . . 5.060 4.400 3.843 4.757 . 0 0 "[ . 1 . 2]" 1
283 1 11 ASN HA 1 12 ARG H . . 2.680 2.239 2.211 2.262 . 0 0 "[ . 1 . 2]" 1
284 1 11 ASN HA 1 12 ARG HB2 . . 4.730 4.561 4.463 4.634 . 0 0 "[ . 1 . 2]" 1
285 1 11 ASN HA 1 85 MET ME . . 4.930 4.960 4.949 4.984 0.054 10 0 "[ . 1 . 2]" 1
286 1 11 ASN HA 1 92 LYS H . . 3.370 3.048 3.019 3.093 . 0 0 "[ . 1 . 2]" 1
287 1 11 ASN HA 1 92 LYS HA . . 4.950 5.027 5.002 5.065 0.115 14 0 "[ . 1 . 2]" 1
288 1 11 ASN HA 1 92 LYS HB3 . . 4.140 4.020 3.902 4.059 . 0 0 "[ . 1 . 2]" 1
289 1 11 ASN HB2 1 11 ASN HD22 . . 4.090 4.020 3.531 4.134 0.044 16 0 "[ . 1 . 2]" 1
290 1 11 ASN HB2 1 12 ARG H . . 4.550 4.037 3.999 4.116 . 0 0 "[ . 1 . 2]" 1
291 1 11 ASN HB3 1 12 ARG H . . 3.770 2.968 2.918 3.015 . 0 0 "[ . 1 . 2]" 1
292 1 11 ASN HB3 1 12 ARG HA . . 4.770 4.774 4.728 4.791 0.021 16 0 "[ . 1 . 2]" 1
293 1 11 ASN QD 1 12 ARG H . . 5.340 4.022 3.659 5.375 0.035 14 0 "[ . 1 . 2]" 1
294 1 12 ARG H 1 12 ARG HB3 . . 3.770 3.791 3.771 3.802 0.032 19 0 "[ . 1 . 2]" 1
295 1 12 ARG H 1 12 ARG QD . . 3.800 3.733 3.650 3.837 0.037 16 0 "[ . 1 . 2]" 1
296 1 12 ARG H 1 12 ARG HG2 . . 3.400 2.895 2.790 2.956 . 0 0 "[ . 1 . 2]" 1
297 1 12 ARG H 1 13 GLY H . . 2.700 2.736 2.705 2.753 0.053 8 0 "[ . 1 . 2]" 1
298 1 12 ARG H 1 14 ASN HA . . 4.690 4.757 4.737 4.798 0.108 18 0 "[ . 1 . 2]" 1
299 1 12 ARG H 1 92 LYS H . . 4.370 4.442 4.429 4.452 0.082 4 0 "[ . 1 . 2]" 1
300 1 12 ARG H 1 93 ALA MB . . 3.670 2.485 2.382 2.664 . 0 0 "[ . 1 . 2]" 1
301 1 12 ARG HA 1 12 ARG QD . . 3.180 2.409 2.162 2.563 . 0 0 "[ . 1 . 2]" 1
302 1 12 ARG HA 1 12 ARG HE . . 5.010 3.330 2.919 3.582 . 0 0 "[ . 1 . 2]" 1
303 1 12 ARG HB2 1 14 ASN HA . . 5.260 4.965 4.856 5.031 . 0 0 "[ . 1 . 2]" 1
304 1 12 ARG HB2 1 15 THR H . . 3.920 2.886 2.834 2.919 . 0 0 "[ . 1 . 2]" 1
305 1 12 ARG HB2 1 15 THR HA . . 5.310 4.805 4.699 4.977 . 0 0 "[ . 1 . 2]" 1
306 1 12 ARG HB2 1 15 THR HB . . 3.760 2.429 2.310 2.597 . 0 0 "[ . 1 . 2]" 1
307 1 12 ARG HB2 1 91 GLY QA . . 5.160 4.546 4.449 4.603 . 0 0 "[ . 1 . 2]" 1
308 1 12 ARG HB2 1 93 ALA HA . . 5.460 5.007 4.799 5.133 . 0 0 "[ . 1 . 2]" 1
309 1 12 ARG HB2 1 93 ALA MB . . 3.430 2.523 2.388 2.637 . 0 0 "[ . 1 . 2]" 1
310 1 12 ARG HB3 1 15 THR H . . 4.290 3.462 3.382 3.523 . 0 0 "[ . 1 . 2]" 1
311 1 12 ARG HB3 1 15 THR HB . . 4.080 2.195 2.105 2.269 . 0 0 "[ . 1 . 2]" 1
312 1 12 ARG HB3 1 85 MET ME . . 3.960 3.740 3.539 3.904 . 0 0 "[ . 1 . 2]" 1
313 1 12 ARG QD 1 22 PHE QD . . 4.540 3.198 3.161 3.261 . 0 0 "[ . 1 . 2]" 1
314 1 12 ARG QD 1 22 PHE QE . . 4.010 2.536 2.485 2.570 . 0 0 "[ . 1 . 2]" 1
315 1 12 ARG QD 1 22 PHE HZ . . 5.260 3.713 3.531 3.860 . 0 0 "[ . 1 . 2]" 1
316 1 12 ARG QD 1 91 GLY QA . . 4.310 2.982 2.897 3.048 . 0 0 "[ . 1 . 2]" 1
317 1 12 ARG QD 1 93 ALA MB . . 5.050 4.761 4.666 4.863 . 0 0 "[ . 1 . 2]" 1
318 1 12 ARG HG2 1 15 THR H . . 5.110 5.268 5.195 5.344 0.234 13 0 "[ . 1 . 2]" 1
319 1 12 ARG HG2 1 22 PHE QE . . 4.840 4.938 4.820 5.024 0.184 17 0 "[ . 1 . 2]" 1
320 1 12 ARG HG3 1 91 GLY QA . . 4.680 3.284 3.071 3.498 . 0 0 "[ . 1 . 2]" 1
321 1 13 GLY H 1 93 ALA MB . . 4.770 4.308 4.233 4.419 . 0 0 "[ . 1 . 2]" 1
322 1 13 GLY HA2 1 14 ASN H . . 2.930 2.858 2.728 3.016 0.086 18 0 "[ . 1 . 2]" 1
323 1 13 GLY HA2 1 14 ASN HA . . 5.350 4.696 4.682 4.713 . 0 0 "[ . 1 . 2]" 1
324 1 13 GLY HA2 1 14 ASN QB . . 5.040 4.497 4.319 4.585 . 0 0 "[ . 1 . 2]" 1
325 1 13 GLY HA3 1 14 ASN HA . . 5.390 5.320 5.230 5.371 . 0 0 "[ . 1 . 2]" 1
326 1 13 GLY HA3 1 14 ASN QB . . 5.400 4.746 4.698 4.768 . 0 0 "[ . 1 . 2]" 1
327 1 13 GLY HA3 1 15 THR H . . 4.270 4.190 4.117 4.289 0.019 18 0 "[ . 1 . 2]" 1
328 1 14 ASN H 1 15 THR H . . 3.040 2.610 2.280 2.810 . 0 0 "[ . 1 . 2]" 1
329 1 14 ASN H 1 93 ALA MB . . 4.120 2.866 2.739 2.975 . 0 0 "[ . 1 . 2]" 1
330 1 14 ASN H 1 94 GLU H . . 4.590 4.131 4.021 4.330 . 0 0 "[ . 1 . 2]" 1
331 1 14 ASN HA 1 15 THR HA . . 4.970 4.836 4.735 4.876 . 0 0 "[ . 1 . 2]" 1
332 1 14 ASN HA 1 93 ALA HA . . 4.780 3.642 3.488 3.812 . 0 0 "[ . 1 . 2]" 1
333 1 14 ASN HA 1 93 ALA MB . . 3.400 2.225 2.158 2.354 . 0 0 "[ . 1 . 2]" 1
334 1 14 ASN HA 1 94 GLU H . . 3.280 2.518 2.446 2.608 . 0 0 "[ . 1 . 2]" 1
335 1 14 ASN HA 1 94 GLU HB3 . . 5.130 5.139 5.124 5.161 0.031 16 0 "[ . 1 . 2]" 1
336 1 14 ASN HA 1 95 ASP HB2 . . 4.430 3.822 3.751 3.884 . 0 0 "[ . 1 . 2]" 1
337 1 14 ASN QB 1 15 THR H . . 3.960 3.844 3.744 4.020 0.060 18 0 "[ . 1 . 2]" 1
338 1 14 ASN QB 1 15 THR HA . . 4.910 4.473 4.315 4.795 . 0 0 "[ . 1 . 2]" 1
339 1 14 ASN QB 1 93 ALA MB . . 3.970 3.874 3.829 3.940 . 0 0 "[ . 1 . 2]" 1
340 1 14 ASN QB 1 94 GLU H . . 3.860 3.795 3.728 3.857 . 0 0 "[ . 1 . 2]" 1
341 1 14 ASN QB 1 95 ASP HA . . 3.780 3.139 3.108 3.184 . 0 0 "[ . 1 . 2]" 1
342 1 15 THR H 1 15 THR HB . . 2.910 2.473 2.413 2.538 . 0 0 "[ . 1 . 2]" 1
343 1 15 THR H 1 93 ALA MB . . 3.230 2.978 2.645 3.113 . 0 0 "[ . 1 . 2]" 1
344 1 15 THR HA 1 15 THR MG . . 3.160 2.432 2.410 2.452 . 0 0 "[ . 1 . 2]" 1
345 1 15 THR HA 1 16 CYS H . . 2.490 2.251 2.240 2.263 . 0 0 "[ . 1 . 2]" 1
346 1 15 THR HA 1 17 LEU MD1 . . 4.360 3.735 3.681 3.819 . 0 0 "[ . 1 . 2]" 1
347 1 15 THR HA 1 85 MET ME . . 5.370 5.077 5.038 5.108 . 0 0 "[ . 1 . 2]" 1
348 1 15 THR HA 1 93 ALA MB . . 4.690 4.175 4.121 4.211 . 0 0 "[ . 1 . 2]" 1
349 1 15 THR HA 1 95 ASP HB2 . . 5.270 5.082 4.974 5.203 . 0 0 "[ . 1 . 2]" 1
350 1 15 THR HB 1 16 CYS H . . 4.450 4.421 4.400 4.446 . 0 0 "[ . 1 . 2]" 1
351 1 15 THR HB 1 17 LEU MD1 . . 4.710 4.172 4.151 4.187 . 0 0 "[ . 1 . 2]" 1
352 1 15 THR HB 1 17 LEU MD2 . . 4.810 4.818 4.814 4.821 0.011 18 0 "[ . 1 . 2]" 1
353 1 15 THR HB 1 85 MET ME . . 5.140 3.615 3.543 3.673 . 0 0 "[ . 1 . 2]" 1
354 1 15 THR HB 1 93 ALA MB . . 5.000 3.819 3.785 3.856 . 0 0 "[ . 1 . 2]" 1
355 1 15 THR MG 1 16 CYS H . . 3.540 3.079 3.046 3.119 . 0 0 "[ . 1 . 2]" 1
356 1 15 THR MG 1 16 CYS HA . . 3.860 3.872 3.865 3.878 0.018 10 0 "[ . 1 . 2]" 1
357 1 15 THR MG 1 17 LEU H . . 5.080 3.842 3.810 3.868 . 0 0 "[ . 1 . 2]" 1
358 1 15 THR MG 1 17 LEU HB2 . . 4.950 3.558 3.541 3.577 . 0 0 "[ . 1 . 2]" 1
359 1 15 THR MG 1 17 LEU HB3 . . 4.750 4.774 4.763 4.787 0.037 16 0 "[ . 1 . 2]" 1
360 1 15 THR MG 1 17 LEU MD1 . . 2.990 1.929 1.922 1.937 . 0 0 "[ . 1 . 2]" 1
361 1 15 THR MG 1 17 LEU MD2 . . 2.880 2.623 2.605 2.644 . 0 0 "[ . 1 . 2]" 1
362 1 16 CYS H 1 16 CYS HB2 . . 3.110 2.580 2.553 2.599 . 0 0 "[ . 1 . 2]" 1
363 1 16 CYS H 1 16 CYS HB3 . . 3.810 3.743 3.732 3.753 . 0 0 "[ . 1 . 2]" 1
364 1 16 CYS H 1 17 LEU H . . 4.330 4.171 4.148 4.184 . 0 0 "[ . 1 . 2]" 1
365 1 16 CYS H 1 17 LEU MD1 . . 4.060 3.076 3.028 3.119 . 0 0 "[ . 1 . 2]" 1
366 1 16 CYS H 1 72 TYR QE . . 5.160 5.236 5.224 5.250 0.090 13 0 "[ . 1 . 2]" 1
367 1 16 CYS H 1 83 TYR QB . . 5.000 4.254 4.185 4.320 . 0 0 "[ . 1 . 2]" 1
368 1 16 CYS H 1 85 MET HB2 . . 5.390 5.106 5.081 5.128 . 0 0 "[ . 1 . 2]" 1
369 1 16 CYS HA 1 17 LEU MD1 . . 4.480 3.659 3.634 3.673 . 0 0 "[ . 1 . 2]" 1
370 1 16 CYS HA 1 72 TYR QD . . 4.750 3.925 3.880 3.953 . 0 0 "[ . 1 . 2]" 1
371 1 16 CYS HA 1 72 TYR QE . . 4.860 4.831 4.796 4.868 0.008 16 0 "[ . 1 . 2]" 1
372 1 16 CYS HA 1 83 TYR QB . . 4.880 4.892 4.882 4.909 0.029 4 0 "[ . 1 . 2]" 1
373 1 16 CYS HA 1 85 MET HA . . 4.730 4.686 4.652 4.717 . 0 0 "[ . 1 . 2]" 1
374 1 16 CYS HA 1 85 MET HB2 . . 3.600 2.343 2.310 2.372 . 0 0 "[ . 1 . 2]" 1
375 1 16 CYS HA 1 85 MET HB3 . . 3.550 2.536 2.522 2.560 . 0 0 "[ . 1 . 2]" 1
376 1 16 CYS HA 1 85 MET ME . . 3.300 3.006 2.967 3.056 . 0 0 "[ . 1 . 2]" 1
377 1 16 CYS HA 1 85 MET QG . . 4.620 3.660 3.642 3.685 . 0 0 "[ . 1 . 2]" 1
378 1 16 CYS HA 1 93 ALA MB . . 3.460 3.271 3.171 3.378 . 0 0 "[ . 1 . 2]" 1
379 1 16 CYS HB2 1 72 TYR QD . . 4.320 3.742 3.687 3.796 . 0 0 "[ . 1 . 2]" 1
380 1 16 CYS HB2 1 72 TYR QE . . 3.810 2.967 2.920 3.025 . 0 0 "[ . 1 . 2]" 1
381 1 16 CYS HB2 1 83 TYR QB . . 4.030 2.221 2.203 2.249 . 0 0 "[ . 1 . 2]" 1
382 1 16 CYS HB2 1 83 TYR QD . . 4.160 3.337 3.256 3.434 . 0 0 "[ . 1 . 2]" 1
383 1 16 CYS HB2 1 85 MET HB2 . . 4.780 4.027 4.014 4.035 . 0 0 "[ . 1 . 2]" 1
384 1 16 CYS HB2 1 85 MET HB3 . . 4.630 4.642 4.637 4.646 0.016 11 0 "[ . 1 . 2]" 1
385 1 16 CYS HB2 1 93 ALA MB . . 4.930 4.636 4.551 4.722 . 0 0 "[ . 1 . 2]" 1
386 1 16 CYS HB3 1 17 LEU H . . 4.920 3.744 3.733 3.761 . 0 0 "[ . 1 . 2]" 1
387 1 16 CYS HB3 1 72 TYR QD . . 4.410 2.264 2.232 2.291 . 0 0 "[ . 1 . 2]" 1
388 1 16 CYS HB3 1 72 TYR QE . . 3.850 2.711 2.651 2.784 . 0 0 "[ . 1 . 2]" 1
389 1 16 CYS HB3 1 83 TYR QB . . 4.420 3.072 3.041 3.100 . 0 0 "[ . 1 . 2]" 1
390 1 16 CYS HB3 1 83 TYR QD . . 4.520 4.071 4.037 4.111 . 0 0 "[ . 1 . 2]" 1
391 1 16 CYS HB3 1 84 THR H . . 5.000 3.683 3.637 3.720 . 0 0 "[ . 1 . 2]" 1
392 1 16 CYS HB3 1 85 MET H . . 4.860 4.023 3.990 4.061 . 0 0 "[ . 1 . 2]" 1
393 1 16 CYS HB3 1 85 MET HA . . 4.830 4.186 4.144 4.220 . 0 0 "[ . 1 . 2]" 1
394 1 16 CYS HB3 1 85 MET HB2 . . 4.660 2.423 2.410 2.440 . 0 0 "[ . 1 . 2]" 1
395 1 16 CYS HB3 1 85 MET HB3 . . 4.540 3.407 3.380 3.440 . 0 0 "[ . 1 . 2]" 1
396 1 16 CYS HB3 1 85 MET QG . . 4.440 4.442 4.438 4.447 0.007 4 0 "[ . 1 . 2]" 1
397 1 16 CYS HB3 1 93 ALA MB . . 4.740 4.384 4.271 4.494 . 0 0 "[ . 1 . 2]" 1
398 1 17 LEU H 1 17 LEU HG . . 4.550 4.560 4.557 4.564 0.014 1 0 "[ . 1 . 2]" 1
399 1 17 LEU H 1 18 GLU H . . 5.260 4.484 4.478 4.503 . 0 0 "[ . 1 . 2]" 1
400 1 17 LEU H 1 19 ASN H . . 5.300 5.218 5.144 5.299 . 0 0 "[ . 1 . 2]" 1
401 1 17 LEU H 1 85 MET HB2 . . 4.550 3.125 3.093 3.175 . 0 0 "[ . 1 . 2]" 1
402 1 17 LEU HA 1 17 LEU MD1 . . 2.850 2.339 2.311 2.375 . 0 0 "[ . 1 . 2]" 1
403 1 17 LEU HA 1 17 LEU MD2 . . 4.010 3.849 3.843 3.859 . 0 0 "[ . 1 . 2]" 1
404 1 17 LEU HA 1 17 LEU HG . . 3.500 2.681 2.672 2.690 . 0 0 "[ . 1 . 2]" 1
405 1 17 LEU HA 1 18 GLU H . . 3.110 2.106 2.086 2.138 . 0 0 "[ . 1 . 2]" 1
406 1 17 LEU HA 1 18 GLU HB3 . . 4.540 4.348 4.266 4.431 . 0 0 "[ . 1 . 2]" 1
407 1 17 LEU HA 1 19 ASN H . . 3.640 3.695 3.687 3.705 0.065 20 0 "[ . 1 . 2]" 1
408 1 17 LEU HA 1 72 TYR QE . . 5.110 4.765 4.697 4.820 . 0 0 "[ . 1 . 2]" 1
409 1 17 LEU HB2 1 17 LEU MD1 . . 2.990 2.585 2.570 2.597 . 0 0 "[ . 1 . 2]" 1
410 1 17 LEU HB2 1 17 LEU MD2 . . 2.880 2.284 2.279 2.295 . 0 0 "[ . 1 . 2]" 1
411 1 17 LEU HB2 1 70 HIS HE1 . . 4.990 4.141 4.035 4.209 . 0 0 "[ . 1 . 2]" 1
412 1 17 LEU HB3 1 17 LEU MD1 . . 3.360 3.238 3.229 3.244 . 0 0 "[ . 1 . 2]" 1
413 1 17 LEU HB3 1 17 LEU MD2 . . 2.950 2.403 2.390 2.411 . 0 0 "[ . 1 . 2]" 1
414 1 17 LEU HB3 1 19 ASN H . . 3.160 2.305 2.205 2.410 . 0 0 "[ . 1 . 2]" 1
415 1 17 LEU HB3 1 70 HIS HE1 . . 5.290 4.599 4.513 4.690 . 0 0 "[ . 1 . 2]" 1
416 1 17 LEU MD1 1 18 GLU H . . 4.040 3.997 3.957 4.043 0.003 4 0 "[ . 1 . 2]" 1
417 1 17 LEU MD1 1 19 ASN H . . 4.800 4.804 4.781 4.818 0.018 12 0 "[ . 1 . 2]" 1
418 1 17 LEU MD1 1 85 MET ME . . 4.280 4.299 4.296 4.306 0.026 4 0 "[ . 1 . 2]" 1
419 1 17 LEU MD2 1 85 MET ME . . 4.760 4.453 4.408 4.514 . 0 0 "[ . 1 . 2]" 1
420 1 18 GLU H 1 18 GLU HB3 . . 4.000 2.779 2.608 2.838 . 0 0 "[ . 1 . 2]" 1
421 1 18 GLU H 1 18 GLU QG . . 3.890 2.956 2.089 3.335 . 0 0 "[ . 1 . 2]" 1
422 1 18 GLU H 1 19 ASN H . . 2.950 2.390 2.359 2.462 . 0 0 "[ . 1 . 2]" 1
423 1 18 GLU H 1 19 ASN QB . . 4.840 4.138 4.009 4.246 . 0 0 "[ . 1 . 2]" 1
424 1 18 GLU H 1 72 TYR QD . . 5.210 4.456 4.401 4.500 . 0 0 "[ . 1 . 2]" 1
425 1 18 GLU H 1 72 TYR QE . . 4.700 4.730 4.711 4.752 0.052 18 0 "[ . 1 . 2]" 1
426 1 18 GLU HA 1 19 ASN H . . 3.430 3.347 3.286 3.410 . 0 0 "[ . 1 . 2]" 1
427 1 18 GLU HA 1 54 VAL HB . . 4.090 3.488 3.326 3.595 . 0 0 "[ . 1 . 2]" 1
428 1 18 GLU HA 1 70 HIS HD2 . . 4.330 4.175 4.064 4.253 . 0 0 "[ . 1 . 2]" 1
429 1 18 GLU HA 1 72 TYR H . . 5.080 5.080 5.023 5.120 0.040 1 0 "[ . 1 . 2]" 1
430 1 18 GLU HA 1 72 TYR HB2 . . 3.870 3.259 3.167 3.378 . 0 0 "[ . 1 . 2]" 1
431 1 18 GLU HA 1 72 TYR HB3 . . 3.850 2.784 2.709 2.892 . 0 0 "[ . 1 . 2]" 1
432 1 18 GLU HA 1 72 TYR QD . . 3.710 3.162 3.017 3.311 . 0 0 "[ . 1 . 2]" 1
433 1 18 GLU HA 1 72 TYR QE . . 4.980 4.770 4.674 4.877 . 0 0 "[ . 1 . 2]" 1
434 1 18 GLU HB2 1 19 ASN H . . 4.630 4.371 4.291 4.435 . 0 0 "[ . 1 . 2]" 1
435 1 18 GLU HB2 1 72 TYR QD . . 5.360 3.014 2.843 3.087 . 0 0 "[ . 1 . 2]" 1
436 1 18 GLU HB3 1 19 ASN H . . 4.470 4.396 4.325 4.427 . 0 0 "[ . 1 . 2]" 1
437 1 18 GLU HB3 1 54 VAL HB . . 4.640 3.685 3.618 3.829 . 0 0 "[ . 1 . 2]" 1
438 1 18 GLU HB3 1 54 VAL MG1 . . 3.540 3.573 3.549 3.618 0.078 8 0 "[ . 1 . 2]" 1
439 1 18 GLU HB3 1 54 VAL MG2 . . 3.580 2.962 2.894 3.073 . 0 0 "[ . 1 . 2]" 1
440 1 18 GLU HB3 1 72 TYR QD . . 4.570 2.348 2.270 2.512 . 0 0 "[ . 1 . 2]" 1
441 1 18 GLU HB3 1 72 TYR QE . . 4.620 2.783 2.720 2.896 . 0 0 "[ . 1 . 2]" 1
442 1 18 GLU QG 1 19 ASN H . . 4.080 3.322 3.103 3.648 . 0 0 "[ . 1 . 2]" 1
443 1 18 GLU QG 1 19 ASN HA . . 4.650 4.159 4.124 4.178 . 0 0 "[ . 1 . 2]" 1
444 1 18 GLU QG 1 19 ASN QB . . 4.610 3.208 2.882 3.602 . 0 0 "[ . 1 . 2]" 1
445 1 18 GLU QG 1 54 VAL MG1 . . 4.170 3.626 3.257 3.769 . 0 0 "[ . 1 . 2]" 1
446 1 18 GLU QG 1 54 VAL MG2 . . 4.350 3.353 3.186 3.874 . 0 0 "[ . 1 . 2]" 1
447 1 18 GLU QG 1 72 TYR QD . . 4.750 4.221 4.147 4.290 . 0 0 "[ . 1 . 2]" 1
448 1 18 GLU QG 1 72 TYR QE . . 4.890 4.057 3.921 4.280 . 0 0 "[ . 1 . 2]" 1
449 1 19 ASN H 1 19 ASN QB . . 3.290 2.671 2.617 2.724 . 0 0 "[ . 1 . 2]" 1
450 1 19 ASN H 1 19 ASN HD21 . . 5.100 4.293 4.068 4.468 . 0 0 "[ . 1 . 2]" 1
451 1 19 ASN H 1 19 ASN QD . . 4.280 4.116 3.937 4.277 . 0 0 "[ . 1 . 2]" 1
452 1 19 ASN H 1 19 ASN HD22 . . 5.100 5.282 5.068 5.463 0.363 12 0 "[ . 1 . 2]" 1
453 1 19 ASN HA 1 19 ASN QB . . 2.670 2.478 2.443 2.511 . 0 0 "[ . 1 . 2]" 1
454 1 19 ASN HA 1 19 ASN QD . . 4.510 3.957 3.813 4.066 . 0 0 "[ . 1 . 2]" 1
455 1 19 ASN HA 1 19 ASN HD22 . . 5.150 4.539 4.418 4.683 . 0 0 "[ . 1 . 2]" 1
456 1 19 ASN HA 1 20 GLY HA2 . . 4.960 4.544 4.512 4.588 . 0 0 "[ . 1 . 2]" 1
457 1 19 ASN HA 1 20 GLY HA3 . . 4.970 4.538 4.515 4.565 . 0 0 "[ . 1 . 2]" 1
458 1 19 ASN HA 1 40 ILE MD . . 4.080 3.492 3.186 3.704 . 0 0 "[ . 1 . 2]" 1
459 1 19 ASN HA 1 54 VAL MG1 . . 5.460 5.105 4.906 5.275 . 0 0 "[ . 1 . 2]" 1
460 1 19 ASN QB 1 19 ASN HD22 . . 3.590 3.277 3.265 3.289 . 0 0 "[ . 1 . 2]" 1
461 1 19 ASN QB 1 20 GLY HA2 . . 4.910 3.897 3.820 3.932 . 0 0 "[ . 1 . 2]" 1
462 1 19 ASN QB 1 20 GLY HA3 . . 5.050 4.048 3.878 4.221 . 0 0 "[ . 1 . 2]" 1
463 1 19 ASN QB 1 40 ILE MD . . 4.800 4.282 3.889 4.637 . 0 0 "[ . 1 . 2]" 1
464 1 20 GLY HA2 1 21 SER H . . 3.280 2.573 2.500 2.671 . 0 0 "[ . 1 . 2]" 1
465 1 20 GLY HA2 1 40 ILE MD . . 3.490 3.496 3.382 3.520 0.030 20 0 "[ . 1 . 2]" 1
466 1 20 GLY HA3 1 21 SER H . . 3.350 2.406 2.312 2.470 . 0 0 "[ . 1 . 2]" 1
467 1 21 SER H 1 40 ILE MD . . 5.020 4.571 4.403 4.779 . 0 0 "[ . 1 . 2]" 1
468 1 21 SER HA 1 22 PHE H . . 3.300 2.196 2.182 2.232 . 0 0 "[ . 1 . 2]" 1
469 1 21 SER HA 1 38 MET ME . . 4.070 4.024 3.960 4.129 0.059 14 0 "[ . 1 . 2]" 1
470 1 21 SER HA 1 40 ILE MD . . 4.650 4.493 4.279 4.659 0.009 20 0 "[ . 1 . 2]" 1
471 1 21 SER HA 1 58 HIS HE1 . . 3.850 2.207 2.155 2.268 . 0 0 "[ . 1 . 2]" 1
472 1 21 SER HA 1 89 LEU MD2 . . 3.520 2.898 2.785 3.033 . 0 0 "[ . 1 . 2]" 1
473 1 21 SER HB2 1 23 LEU QD . . 3.300 2.888 2.487 2.959 . 0 0 "[ . 1 . 2]" 1
474 1 21 SER HB2 1 23 LEU HG . . 5.340 4.256 3.987 5.314 . 0 0 "[ . 1 . 2]" 1
475 1 21 SER HB2 1 58 HIS HE1 . . 5.480 4.730 4.652 4.810 . 0 0 "[ . 1 . 2]" 1
476 1 21 SER HB2 1 89 LEU MD2 . . 5.000 4.146 4.068 4.323 . 0 0 "[ . 1 . 2]" 1
477 1 21 SER HB3 1 23 LEU QD . . 3.300 2.864 2.406 2.962 . 0 0 "[ . 1 . 2]" 1
478 1 21 SER HB3 1 23 LEU HG . . 5.340 4.717 4.503 5.382 0.042 10 0 "[ . 1 . 2]" 1
479 1 21 SER HB3 1 58 HIS HE1 . . 5.480 4.129 3.959 4.301 . 0 0 "[ . 1 . 2]" 1
480 1 21 SER HB3 1 89 LEU MD2 . . 3.000 2.691 2.601 2.884 . 0 0 "[ . 1 . 2]" 1
481 1 22 PHE H 1 22 PHE HB2 . . 3.500 2.422 2.385 2.550 . 0 0 "[ . 1 . 2]" 1
482 1 22 PHE H 1 22 PHE HB3 . . 3.310 2.516 2.495 2.535 . 0 0 "[ . 1 . 2]" 1
483 1 22 PHE H 1 23 LEU H . . 4.620 4.002 3.903 4.036 . 0 0 "[ . 1 . 2]" 1
484 1 22 PHE H 1 58 HIS HE1 . . 5.000 3.748 3.654 3.828 . 0 0 "[ . 1 . 2]" 1
485 1 22 PHE H 1 89 LEU MD1 . . 4.290 3.514 3.387 3.568 . 0 0 "[ . 1 . 2]" 1
486 1 22 PHE H 1 89 LEU MD2 . . 3.570 2.644 2.508 2.686 . 0 0 "[ . 1 . 2]" 1
487 1 22 PHE H 1 90 CYS HB2 . . 5.000 4.856 4.785 5.004 0.004 17 0 "[ . 1 . 2]" 1
488 1 22 PHE H 1 90 CYS HB3 . . 5.000 4.332 4.246 4.517 . 0 0 "[ . 1 . 2]" 1
489 1 22 PHE HA 1 23 LEU H . . 3.480 2.279 2.247 2.309 . 0 0 "[ . 1 . 2]" 1
490 1 22 PHE HA 1 23 LEU HA . . 4.480 4.521 4.510 4.531 0.051 1 0 "[ . 1 . 2]" 1
491 1 22 PHE HA 1 23 LEU HB2 . . 5.370 4.595 4.371 4.667 . 0 0 "[ . 1 . 2]" 1
492 1 22 PHE HA 1 89 LEU MD2 . . 5.040 4.575 4.537 4.604 . 0 0 "[ . 1 . 2]" 1
493 1 22 PHE HA 1 89 LEU HG . . 4.930 4.643 4.622 4.671 . 0 0 "[ . 1 . 2]" 1
494 1 22 PHE HA 1 90 CYS HA . . 4.590 4.443 4.413 4.464 . 0 0 "[ . 1 . 2]" 1
495 1 22 PHE HB2 1 23 LEU H . . 5.340 4.561 4.534 4.576 . 0 0 "[ . 1 . 2]" 1
496 1 22 PHE HB2 1 89 LEU MD1 . . 4.750 4.152 4.132 4.169 . 0 0 "[ . 1 . 2]" 1
497 1 22 PHE HB2 1 89 LEU MD2 . . 4.600 4.384 4.358 4.403 . 0 0 "[ . 1 . 2]" 1
498 1 22 PHE HB2 1 89 LEU HG . . 3.390 3.468 3.459 3.475 0.085 2 0 "[ . 1 . 2]" 1
499 1 22 PHE HB2 1 90 CYS HA . . 3.820 2.058 2.041 2.077 . 0 0 "[ . 1 . 2]" 1
500 1 22 PHE HB2 1 90 CYS HB2 . . 5.000 4.514 4.473 4.542 . 0 0 "[ . 1 . 2]" 1
501 1 22 PHE HB2 1 90 CYS HB3 . . 5.000 3.396 3.343 3.453 . 0 0 "[ . 1 . 2]" 1
502 1 22 PHE HB3 1 23 LEU H . . 4.960 4.514 4.500 4.522 . 0 0 "[ . 1 . 2]" 1
503 1 22 PHE HB3 1 89 LEU MD1 . . 3.530 2.735 2.713 2.755 . 0 0 "[ . 1 . 2]" 1
504 1 22 PHE HB3 1 89 LEU MD2 . . 3.720 3.610 3.585 3.648 . 0 0 "[ . 1 . 2]" 1
505 1 22 PHE HB3 1 89 LEU HG . . 4.440 2.334 2.318 2.352 . 0 0 "[ . 1 . 2]" 1
506 1 22 PHE HB3 1 90 CYS H . . 4.420 4.115 4.107 4.126 . 0 0 "[ . 1 . 2]" 1
507 1 22 PHE HB3 1 90 CYS HA . . 3.670 2.217 2.202 2.236 . 0 0 "[ . 1 . 2]" 1
508 1 22 PHE HB3 1 90 CYS HB2 . . 5.000 5.042 5.031 5.056 0.056 16 0 "[ . 1 . 2]" 1
509 1 22 PHE HB3 1 90 CYS HB3 . . 5.000 4.455 4.423 4.501 . 0 0 "[ . 1 . 2]" 1
510 1 22 PHE QD 1 23 LEU HA . . 5.280 5.322 5.314 5.330 0.050 5 0 "[ . 1 . 2]" 1
511 1 22 PHE QD 1 24 LEU HB2 . . 4.840 3.305 3.052 3.502 . 0 0 "[ . 1 . 2]" 1
512 1 22 PHE QD 1 24 LEU HB3 . . 5.350 4.885 4.641 5.058 . 0 0 "[ . 1 . 2]" 1
513 1 22 PHE QD 1 24 LEU MD1 . . 4.950 3.891 3.663 4.050 . 0 0 "[ . 1 . 2]" 1
514 1 22 PHE QD 1 24 LEU MD2 . . 4.950 5.333 5.172 5.432 0.482 1 0 "[ . 1 . 2]" 1
515 1 22 PHE QD 1 24 LEU HG . . 4.650 4.186 3.872 4.463 . 0 0 "[ . 1 . 2]" 1
516 1 22 PHE QD 1 25 ASN HA . . 5.020 5.007 4.981 5.028 0.008 13 0 "[ . 1 . 2]" 1
517 1 22 PHE QD 1 25 ASN HB2 . . 4.040 2.699 2.651 2.747 . 0 0 "[ . 1 . 2]" 1
518 1 22 PHE QD 1 25 ASN HB3 . . 3.740 2.803 2.768 2.852 . 0 0 "[ . 1 . 2]" 1
519 1 22 PHE QD 1 89 LEU HA . . 5.180 4.763 4.723 4.805 . 0 0 "[ . 1 . 2]" 1
520 1 22 PHE QD 1 89 LEU MD1 . . 3.650 3.658 3.655 3.664 0.014 5 0 "[ . 1 . 2]" 1
521 1 22 PHE QD 1 89 LEU HG . . 5.030 4.062 4.034 4.097 . 0 0 "[ . 1 . 2]" 1
522 1 22 PHE QD 1 90 CYS HA . . 3.820 2.670 2.579 2.758 . 0 0 "[ . 1 . 2]" 1
523 1 22 PHE QD 1 90 CYS HB3 . . 5.000 4.752 4.697 4.802 . 0 0 "[ . 1 . 2]" 1
524 1 22 PHE QE 1 24 LEU H . . 3.940 3.789 3.722 3.869 . 0 0 "[ . 1 . 2]" 1
525 1 22 PHE QE 1 24 LEU HA . . 5.290 5.238 5.225 5.251 . 0 0 "[ . 1 . 2]" 1
526 1 22 PHE QE 1 24 LEU HB2 . . 4.350 2.435 2.350 2.539 . 0 0 "[ . 1 . 2]" 1
527 1 22 PHE QE 1 24 LEU QD . . 3.270 2.301 2.262 2.351 . 0 0 "[ . 1 . 2]" 1
528 1 22 PHE QE 1 24 LEU HG . . 4.690 3.731 3.298 4.126 . 0 0 "[ . 1 . 2]" 1
529 1 22 PHE QE 1 25 ASN HA . . 4.880 4.863 4.777 4.917 0.037 13 0 "[ . 1 . 2]" 1
530 1 22 PHE QE 1 25 ASN HB2 . . 4.320 2.779 2.704 2.849 . 0 0 "[ . 1 . 2]" 1
531 1 22 PHE QE 1 25 ASN HB3 . . 4.670 4.052 4.000 4.103 . 0 0 "[ . 1 . 2]" 1
532 1 22 PHE QE 1 90 CYS HA . . 4.940 4.813 4.722 4.881 . 0 0 "[ . 1 . 2]" 1
533 1 22 PHE HZ 1 24 LEU HB2 . . 4.550 3.289 3.025 3.598 . 0 0 "[ . 1 . 2]" 1
534 1 22 PHE HZ 1 24 LEU HB3 . . 3.820 3.868 3.863 3.874 0.054 9 0 "[ . 1 . 2]" 1
535 1 22 PHE HZ 1 24 LEU QD . . 3.750 3.528 3.245 3.756 0.006 13 0 "[ . 1 . 2]" 1
536 1 23 LEU H 1 23 LEU HB2 . . 3.660 2.621 2.293 2.706 . 0 0 "[ . 1 . 2]" 1
537 1 23 LEU H 1 23 LEU HB3 . . 3.570 3.576 3.545 3.586 0.016 14 0 "[ . 1 . 2]" 1
538 1 23 LEU H 1 23 LEU QD . . 5.040 2.582 2.110 2.698 . 0 0 "[ . 1 . 2]" 1
539 1 23 LEU H 1 24 LEU H . . 3.530 3.021 2.989 3.054 . 0 0 "[ . 1 . 2]" 1
540 1 23 LEU H 1 25 ASN H . . 5.110 4.447 4.412 4.477 . 0 0 "[ . 1 . 2]" 1
541 1 23 LEU H 1 26 PHE H . . 4.690 4.727 4.711 4.745 0.055 9 0 "[ . 1 . 2]" 1
542 1 23 LEU HA 1 23 LEU QD . . 3.310 2.169 2.025 2.207 . 0 0 "[ . 1 . 2]" 1
543 1 23 LEU HA 1 23 LEU HG . . 3.720 3.416 3.351 3.728 0.008 17 0 "[ . 1 . 2]" 1
544 1 23 LEU HA 1 24 LEU H . . 3.530 3.501 3.474 3.521 . 0 0 "[ . 1 . 2]" 1
545 1 23 LEU HA 1 25 ASN H . . 4.200 3.836 3.744 3.900 . 0 0 "[ . 1 . 2]" 1
546 1 23 LEU HA 1 26 PHE H . . 3.320 3.127 3.037 3.179 . 0 0 "[ . 1 . 2]" 1
547 1 23 LEU HA 1 26 PHE HB2 . . 3.380 3.340 3.232 3.398 0.018 9 0 "[ . 1 . 2]" 1
548 1 23 LEU HA 1 26 PHE HB3 . . 3.620 2.263 2.210 2.344 . 0 0 "[ . 1 . 2]" 1
549 1 23 LEU HA 1 26 PHE QD . . 4.050 3.561 3.477 3.678 . 0 0 "[ . 1 . 2]" 1
550 1 23 LEU HA 1 38 MET ME . . 3.840 3.845 3.838 3.857 0.017 14 0 "[ . 1 . 2]" 1
551 1 23 LEU HA 1 89 LEU MD1 . . 4.250 3.949 3.848 3.998 . 0 0 "[ . 1 . 2]" 1
552 1 23 LEU HA 1 89 LEU MD2 . . 5.200 4.336 4.244 4.411 . 0 0 "[ . 1 . 2]" 1
553 1 23 LEU HB2 1 23 LEU QD . . 2.920 2.358 2.333 2.443 . 0 0 "[ . 1 . 2]" 1
554 1 23 LEU HB2 1 23 LEU HG . . 2.450 2.412 2.397 2.423 . 0 0 "[ . 1 . 2]" 1
555 1 23 LEU HB2 1 24 LEU H . . 3.470 3.044 2.933 3.301 . 0 0 "[ . 1 . 2]" 1
556 1 23 LEU HB3 1 23 LEU QD . . 2.750 2.170 2.140 2.302 . 0 0 "[ . 1 . 2]" 1
557 1 23 LEU HB3 1 24 LEU H . . 3.940 3.944 3.771 4.004 0.064 18 0 "[ . 1 . 2]" 1
558 1 23 LEU HB3 1 26 PHE H . . 5.280 5.212 5.143 5.248 . 0 0 "[ . 1 . 2]" 1
559 1 23 LEU QD 1 26 PHE HB2 . . 4.400 3.789 3.432 3.919 . 0 0 "[ . 1 . 2]" 1
560 1 23 LEU QD 1 26 PHE HB3 . . 4.600 3.148 2.550 3.314 . 0 0 "[ . 1 . 2]" 1
561 1 23 LEU QD 1 26 PHE QD . . 3.560 2.909 2.187 3.173 . 0 0 "[ . 1 . 2]" 1
562 1 23 LEU QD 1 38 MET ME . . 3.440 2.824 2.678 2.911 . 0 0 "[ . 1 . 2]" 1
563 1 24 LEU H 1 24 LEU HB2 . . 2.940 2.352 2.224 2.459 . 0 0 "[ . 1 . 2]" 1
564 1 24 LEU H 1 24 LEU HB3 . . 3.620 3.593 3.542 3.632 0.012 18 0 "[ . 1 . 2]" 1
565 1 24 LEU H 1 24 LEU MD1 . . 4.770 3.719 3.594 3.834 . 0 0 "[ . 1 . 2]" 1
566 1 24 LEU H 1 24 LEU QD . . 3.470 3.251 3.169 3.347 . 0 0 "[ . 1 . 2]" 1
567 1 24 LEU H 1 24 LEU MD2 . . 4.770 3.620 3.381 3.900 . 0 0 "[ . 1 . 2]" 1
568 1 24 LEU H 1 24 LEU HG . . 3.370 2.577 2.452 2.761 . 0 0 "[ . 1 . 2]" 1
569 1 24 LEU H 1 25 ASN H . . 3.420 2.662 2.599 2.705 . 0 0 "[ . 1 . 2]" 1
570 1 24 LEU HA 1 24 LEU HB3 . . 2.960 2.576 2.510 2.648 . 0 0 "[ . 1 . 2]" 1
571 1 24 LEU HA 1 24 LEU MD1 . . 3.950 3.848 3.828 3.861 . 0 0 "[ . 1 . 2]" 1
572 1 24 LEU HA 1 24 LEU QD . . 3.100 2.105 2.096 2.120 . 0 0 "[ . 1 . 2]" 1
573 1 24 LEU HA 1 24 LEU MD2 . . 3.950 2.115 2.106 2.130 . 0 0 "[ . 1 . 2]" 1
574 1 24 LEU HA 1 24 LEU HG . . 3.560 3.046 2.840 3.235 . 0 0 "[ . 1 . 2]" 1
575 1 24 LEU HA 1 25 ASN HA . . 4.990 4.651 4.621 4.674 . 0 0 "[ . 1 . 2]" 1
576 1 24 LEU HB2 1 25 ASN H . . 4.420 3.282 3.245 3.370 . 0 0 "[ . 1 . 2]" 1
577 1 24 LEU HB2 1 26 PHE H . . 5.290 5.241 5.213 5.294 0.004 5 0 "[ . 1 . 2]" 1
578 1 24 LEU HB3 1 24 LEU MD1 . . 3.630 2.377 2.330 2.436 . 0 0 "[ . 1 . 2]" 1
579 1 24 LEU HB3 1 24 LEU QD . . 2.790 2.146 2.144 2.148 . 0 0 "[ . 1 . 2]" 1
580 1 24 LEU HB3 1 24 LEU MD2 . . 3.630 2.450 2.387 2.512 . 0 0 "[ . 1 . 2]" 1
581 1 24 LEU HB3 1 25 ASN H . . 4.310 4.020 3.915 4.115 . 0 0 "[ . 1 . 2]" 1
582 1 25 ASN H 1 25 ASN HB3 . . 3.310 2.568 2.543 2.627 . 0 0 "[ . 1 . 2]" 1
583 1 25 ASN H 1 26 PHE H . . 2.890 2.043 1.988 2.064 . 0 0 "[ . 1 . 2]" 1
584 1 25 ASN H 1 26 PHE HB2 . . 4.440 4.484 4.469 4.495 0.055 15 0 "[ . 1 . 2]" 1
585 1 25 ASN H 1 89 LEU MD1 . . 4.040 3.397 3.371 3.415 . 0 0 "[ . 1 . 2]" 1
586 1 25 ASN HA 1 26 PHE HA . . 5.000 4.803 4.792 4.818 . 0 0 "[ . 1 . 2]" 1
587 1 25 ASN HA 1 27 THR MG . . 4.160 3.976 3.881 4.085 . 0 0 "[ . 1 . 2]" 1
588 1 25 ASN HB2 1 26 PHE H . . 3.880 3.969 3.962 3.982 0.102 5 0 "[ . 1 . 2]" 1
589 1 25 ASN HB2 1 89 LEU MD1 . . 4.230 3.659 3.631 3.718 . 0 0 "[ . 1 . 2]" 1
590 1 25 ASN HB3 1 26 PHE H . . 3.780 2.834 2.805 2.935 . 0 0 "[ . 1 . 2]" 1
591 1 25 ASN HB3 1 89 LEU MD1 . . 3.500 2.178 2.152 2.223 . 0 0 "[ . 1 . 2]" 1
592 1 25 ASN HD21 1 26 PHE H . . 5.280 4.907 4.815 4.949 . 0 0 "[ . 1 . 2]" 1
593 1 26 PHE H 1 26 PHE HB3 . . 2.930 2.542 2.516 2.565 . 0 0 "[ . 1 . 2]" 1
594 1 26 PHE H 1 27 THR H . . 4.430 4.447 4.425 4.463 0.033 5 0 "[ . 1 . 2]" 1
595 1 26 PHE H 1 38 MET ME . . 4.730 4.607 4.550 4.665 . 0 0 "[ . 1 . 2]" 1
596 1 26 PHE HA 1 26 PHE QD . . 3.100 2.319 2.258 2.367 . 0 0 "[ . 1 . 2]" 1
597 1 26 PHE HA 1 27 THR H . . 2.730 2.158 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
598 1 26 PHE HA 1 27 THR HA . . 4.870 4.508 4.496 4.520 . 0 0 "[ . 1 . 2]" 1
599 1 26 PHE HA 1 27 THR MG . . 4.610 4.027 3.913 4.147 . 0 0 "[ . 1 . 2]" 1
600 1 26 PHE HA 1 38 MET ME . . 4.540 4.379 4.315 4.538 . 0 0 "[ . 1 . 2]" 1
601 1 26 PHE HA 1 67 ILE MG . . 4.670 4.665 4.632 4.680 0.010 18 0 "[ . 1 . 2]" 1
602 1 26 PHE HA 1 89 LEU HA . . 5.280 5.292 5.267 5.304 0.024 10 0 "[ . 1 . 2]" 1
603 1 26 PHE HA 1 89 LEU MD1 . . 3.500 2.643 2.626 2.665 . 0 0 "[ . 1 . 2]" 1
604 1 26 PHE HA 1 89 LEU MD2 . . 5.400 4.289 4.257 4.317 . 0 0 "[ . 1 . 2]" 1
605 1 26 PHE HB2 1 38 MET ME . . 3.840 2.457 2.373 2.684 . 0 0 "[ . 1 . 2]" 1
606 1 26 PHE HB2 1 67 ILE MG . . 4.900 4.192 4.152 4.248 . 0 0 "[ . 1 . 2]" 1
607 1 26 PHE HB2 1 89 LEU MD1 . . 3.480 2.056 2.040 2.077 . 0 0 "[ . 1 . 2]" 1
608 1 26 PHE HB2 1 89 LEU MD2 . . 3.670 2.717 2.679 2.763 . 0 0 "[ . 1 . 2]" 1
609 1 26 PHE HB3 1 27 THR H . . 4.500 4.395 4.365 4.449 . 0 0 "[ . 1 . 2]" 1
610 1 26 PHE HB3 1 28 GLY H . . 4.890 4.109 4.042 4.239 . 0 0 "[ . 1 . 2]" 1
611 1 26 PHE HB3 1 38 MET ME . . 3.750 3.072 3.000 3.268 . 0 0 "[ . 1 . 2]" 1
612 1 26 PHE HB3 1 89 LEU MD1 . . 3.400 3.288 3.264 3.319 . 0 0 "[ . 1 . 2]" 1
613 1 26 PHE HB3 1 89 LEU MD2 . . 4.450 3.962 3.908 4.009 . 0 0 "[ . 1 . 2]" 1
614 1 26 PHE QD 1 27 THR H . . 3.300 3.355 3.339 3.382 0.082 9 0 "[ . 1 . 2]" 1
615 1 26 PHE QD 1 27 THR HA . . 5.180 5.049 4.983 5.145 . 0 0 "[ . 1 . 2]" 1
616 1 26 PHE QD 1 28 GLY H . . 3.060 3.089 3.069 3.101 0.041 14 0 "[ . 1 . 2]" 1
617 1 26 PHE QD 1 35 ARG QD . . 5.070 4.577 4.264 4.714 . 0 0 "[ . 1 . 2]" 1
618 1 26 PHE QD 1 35 ARG QG . . 3.730 2.834 2.773 2.976 . 0 0 "[ . 1 . 2]" 1
619 1 26 PHE QD 1 36 ASP H . . 3.300 2.727 2.465 3.117 . 0 0 "[ . 1 . 2]" 1
620 1 26 PHE QD 1 36 ASP HA . . 5.380 3.664 3.401 4.049 . 0 0 "[ . 1 . 2]" 1
621 1 26 PHE QD 1 38 MET ME . . 3.240 2.878 2.797 2.980 . 0 0 "[ . 1 . 2]" 1
622 1 26 PHE QD 1 67 ILE MG . . 4.350 2.944 2.869 3.003 . 0 0 "[ . 1 . 2]" 1
623 1 26 PHE QD 1 89 LEU HB2 . . 5.500 4.850 4.818 4.874 . 0 0 "[ . 1 . 2]" 1
624 1 26 PHE QD 1 89 LEU MD1 . . 3.650 2.995 2.965 3.021 . 0 0 "[ . 1 . 2]" 1
625 1 26 PHE QD 1 89 LEU MD2 . . 4.410 3.639 3.611 3.670 . 0 0 "[ . 1 . 2]" 1
626 1 26 PHE QE 1 28 GLY QA . . 3.860 2.758 2.718 2.793 . 0 0 "[ . 1 . 2]" 1
627 1 26 PHE QE 1 29 CYS H . . 3.300 3.291 3.228 3.313 0.013 14 0 "[ . 1 . 2]" 1
628 1 26 PHE QE 1 29 CYS HA . . 3.400 2.947 2.924 2.985 . 0 0 "[ . 1 . 2]" 1
629 1 26 PHE QE 1 29 CYS HB2 . . 5.000 3.674 3.594 3.735 . 0 0 "[ . 1 . 2]" 1
630 1 26 PHE QE 1 29 CYS HB3 . . 5.000 4.930 4.865 4.982 . 0 0 "[ . 1 . 2]" 1
631 1 26 PHE QE 1 30 ALA H . . 5.000 5.073 5.065 5.089 0.089 14 0 "[ . 1 . 2]" 1
632 1 26 PHE QE 1 30 ALA MB . . 6.000 5.994 5.970 6.008 0.008 15 0 "[ . 1 . 2]" 1
633 1 26 PHE QE 1 35 ARG HA . . 3.020 2.181 2.147 2.249 . 0 0 "[ . 1 . 2]" 1
634 1 26 PHE QE 1 35 ARG HB2 . . 4.870 4.505 4.433 4.628 . 0 0 "[ . 1 . 2]" 1
635 1 26 PHE QE 1 35 ARG HB3 . . 4.920 4.945 4.935 4.963 0.043 16 0 "[ . 1 . 2]" 1
636 1 26 PHE QE 1 35 ARG QD . . 5.340 4.912 4.762 5.003 . 0 0 "[ . 1 . 2]" 1
637 1 26 PHE QE 1 35 ARG QG . . 4.370 3.090 2.860 3.288 . 0 0 "[ . 1 . 2]" 1
638 1 26 PHE QE 1 38 MET ME . . 3.650 3.383 3.280 3.514 . 0 0 "[ . 1 . 2]" 1
639 1 26 PHE QE 1 67 ILE HA . . 4.650 4.722 4.715 4.728 0.078 12 0 "[ . 1 . 2]" 1
640 1 26 PHE QE 1 67 ILE MD . . 3.110 2.654 2.640 2.666 . 0 0 "[ . 1 . 2]" 1
641 1 26 PHE QE 1 67 ILE QG . . 3.930 3.065 2.973 3.147 . 0 0 "[ . 1 . 2]" 1
642 1 26 PHE QE 1 67 ILE MG . . 3.270 2.626 2.592 2.651 . 0 0 "[ . 1 . 2]" 1
643 1 27 THR H 1 27 THR HB . . 3.690 3.680 3.664 3.696 0.006 5 0 "[ . 1 . 2]" 1
644 1 27 THR H 1 27 THR MG . . 3.300 2.673 2.493 2.835 . 0 0 "[ . 1 . 2]" 1
645 1 27 THR H 1 28 GLY H . . 3.500 2.484 2.421 2.537 . 0 0 "[ . 1 . 2]" 1
646 1 27 THR HA 1 27 THR HB . . 2.690 2.530 2.485 2.578 . 0 0 "[ . 1 . 2]" 1
647 1 27 THR HA 1 27 THR MG . . 2.490 2.294 2.243 2.347 . 0 0 "[ . 1 . 2]" 1
648 1 27 THR HA 1 28 GLY H . . 3.310 3.236 3.178 3.315 0.005 18 0 "[ . 1 . 2]" 1
649 1 27 THR HA 1 35 ARG HD2 . . 4.870 3.210 2.531 3.661 . 0 0 "[ . 1 . 2]" 1
650 1 27 THR HA 1 35 ARG QD . . 4.060 3.111 2.497 3.284 . 0 0 "[ . 1 . 2]" 1
651 1 27 THR HA 1 35 ARG HD3 . . 4.870 4.362 3.222 4.585 . 0 0 "[ . 1 . 2]" 1
652 1 27 THR HB 1 28 GLY H . . 4.500 4.291 4.196 4.340 . 0 0 "[ . 1 . 2]" 1
653 1 27 THR MG 1 28 GLY H . . 4.380 4.299 4.196 4.368 . 0 0 "[ . 1 . 2]" 1
654 1 28 GLY H 1 29 CYS H . . 4.180 4.128 4.090 4.150 . 0 0 "[ . 1 . 2]" 1
655 1 28 GLY H 1 29 CYS HA . . 5.360 4.949 4.842 5.026 . 0 0 "[ . 1 . 2]" 1
656 1 28 GLY H 1 35 ARG HA . . 4.290 4.227 4.127 4.307 0.017 5 0 "[ . 1 . 2]" 1
657 1 28 GLY H 1 35 ARG HB2 . . 5.190 4.622 4.443 4.718 . 0 0 "[ . 1 . 2]" 1
658 1 28 GLY H 1 35 ARG QG . . 4.300 3.414 3.216 3.898 . 0 0 "[ . 1 . 2]" 1
659 1 28 GLY H 1 38 MET ME . . 5.160 5.100 5.031 5.167 0.007 11 0 "[ . 1 . 2]" 1
660 1 28 GLY QA 1 29 CYS H . . 3.060 2.193 2.180 2.206 . 0 0 "[ . 1 . 2]" 1
661 1 28 GLY QA 1 35 ARG HA . . 3.430 2.239 2.148 2.305 . 0 0 "[ . 1 . 2]" 1
662 1 28 GLY QA 1 35 ARG HB2 . . 3.900 2.409 2.274 2.456 . 0 0 "[ . 1 . 2]" 1
663 1 28 GLY QA 1 35 ARG HB3 . . 4.750 3.903 3.789 3.944 . 0 0 "[ . 1 . 2]" 1
664 1 28 GLY QA 1 35 ARG HD2 . . 4.430 3.070 2.791 4.333 . 0 0 "[ . 1 . 2]" 1
665 1 28 GLY QA 1 35 ARG QD . . 3.800 2.918 2.751 3.176 . 0 0 "[ . 1 . 2]" 1
666 1 28 GLY QA 1 35 ARG HD3 . . 4.430 4.128 2.950 4.365 . 0 0 "[ . 1 . 2]" 1
667 1 28 GLY QA 1 35 ARG QG . . 3.930 2.693 2.473 3.034 . 0 0 "[ . 1 . 2]" 1
668 1 29 CYS H 1 29 CYS HB2 . . 3.050 2.179 2.161 2.208 . 0 0 "[ . 1 . 2]" 1
669 1 29 CYS H 1 29 CYS HB3 . . 3.240 2.722 2.695 2.739 . 0 0 "[ . 1 . 2]" 1
670 1 29 CYS H 1 30 ALA H . . 4.680 4.536 4.517 4.562 . 0 0 "[ . 1 . 2]" 1
671 1 29 CYS H 1 33 SER HA . . 4.530 4.271 4.162 4.450 . 0 0 "[ . 1 . 2]" 1
672 1 29 CYS H 1 34 LYS H . . 4.220 3.540 3.398 3.603 . 0 0 "[ . 1 . 2]" 1
673 1 29 CYS H 1 35 ARG HA . . 3.760 3.578 3.524 3.620 . 0 0 "[ . 1 . 2]" 1
674 1 29 CYS H 1 35 ARG HB2 . . 5.410 4.598 4.522 4.705 . 0 0 "[ . 1 . 2]" 1
675 1 29 CYS H 1 35 ARG QG . . 5.340 4.852 4.670 5.190 . 0 0 "[ . 1 . 2]" 1
676 1 29 CYS HA 1 30 ALA H . . 2.740 2.313 2.289 2.328 . 0 0 "[ . 1 . 2]" 1
677 1 29 CYS HA 1 30 ALA HA . . 4.430 4.469 4.460 4.475 0.045 3 0 "[ . 1 . 2]" 1
678 1 29 CYS HA 1 30 ALA MB . . 4.480 3.932 3.916 3.942 . 0 0 "[ . 1 . 2]" 1
679 1 29 CYS HA 1 65 HIS HD2 . . 5.140 4.857 4.817 4.874 . 0 0 "[ . 1 . 2]" 1
680 1 29 CYS HA 1 67 ILE MD . . 4.700 4.403 4.353 4.426 . 0 0 "[ . 1 . 2]" 1
681 1 29 CYS HA 1 67 ILE QG . . 4.780 3.962 3.864 4.039 . 0 0 "[ . 1 . 2]" 1
682 1 29 CYS HA 1 67 ILE MG . . 4.500 4.504 4.495 4.513 0.013 18 0 "[ . 1 . 2]" 1
683 1 29 CYS HB2 1 32 CYS H . . 5.000 4.235 4.202 4.322 . 0 0 "[ . 1 . 2]" 1
684 1 29 CYS HB2 1 33 SER H . . 5.000 4.081 3.991 4.237 . 0 0 "[ . 1 . 2]" 1
685 1 29 CYS HB2 1 34 LYS H . . 3.300 3.359 3.347 3.364 0.064 10 0 "[ . 1 . 2]" 1
686 1 29 CYS HB3 1 32 CYS H . . 5.000 2.871 2.827 2.969 . 0 0 "[ . 1 . 2]" 1
687 1 29 CYS HB3 1 33 SER H . . 3.300 2.342 2.251 2.505 . 0 0 "[ . 1 . 2]" 1
688 1 29 CYS HB3 1 34 LYS H . . 3.300 2.274 2.129 2.337 . 0 0 "[ . 1 . 2]" 1
689 1 30 ALA H 1 30 ALA MB . . 2.890 2.709 2.665 2.728 . 0 0 "[ . 1 . 2]" 1
690 1 30 ALA H 1 31 VAL H . . 3.420 1.894 1.876 1.929 . 0 0 "[ . 1 . 2]" 1
691 1 30 ALA H 1 31 VAL HB . . 5.120 4.044 4.020 4.086 . 0 0 "[ . 1 . 2]" 1
692 1 30 ALA H 1 31 VAL MG2 . . 4.500 3.862 3.808 3.907 . 0 0 "[ . 1 . 2]" 1
693 1 30 ALA H 1 32 CYS H . . 4.560 3.601 3.565 3.664 . 0 0 "[ . 1 . 2]" 1
694 1 30 ALA H 1 33 SER H . . 5.120 3.811 3.760 3.924 . 0 0 "[ . 1 . 2]" 1
695 1 30 ALA H 1 65 HIS HD2 . . 5.000 4.605 4.590 4.629 . 0 0 "[ . 1 . 2]" 1
696 1 30 ALA MB 1 31 VAL H . . 3.320 3.327 3.323 3.331 0.011 4 0 "[ . 1 . 2]" 1
697 1 30 ALA MB 1 31 VAL HA . . 4.090 4.161 4.159 4.165 0.075 4 0 "[ . 1 . 2]" 1
698 1 30 ALA MB 1 31 VAL MG2 . . 4.130 3.926 3.883 3.968 . 0 0 "[ . 1 . 2]" 1
699 1 31 VAL H 1 31 VAL HB . . 3.200 2.381 2.376 2.390 . 0 0 "[ . 1 . 2]" 1
700 1 31 VAL H 1 31 VAL MG1 . . 3.820 3.791 3.788 3.794 . 0 0 "[ . 1 . 2]" 1
701 1 31 VAL H 1 31 VAL MG2 . . 2.960 2.681 2.658 2.700 . 0 0 "[ . 1 . 2]" 1
702 1 31 VAL H 1 32 CYS H . . 2.940 2.406 2.389 2.423 . 0 0 "[ . 1 . 2]" 1
703 1 31 VAL H 1 33 SER H . . 3.550 3.533 3.517 3.558 0.008 18 0 "[ . 1 . 2]" 1
704 1 31 VAL H 1 65 HIS QB . . 5.000 5.017 5.013 5.023 0.023 19 0 "[ . 1 . 2]" 1
705 1 31 VAL H 1 65 HIS HD2 . . 5.220 4.193 4.159 4.218 . 0 0 "[ . 1 . 2]" 1
706 1 31 VAL HA 1 31 VAL MG1 . . 3.230 2.639 2.627 2.648 . 0 0 "[ . 1 . 2]" 1
707 1 31 VAL HA 1 31 VAL MG2 . . 2.910 2.326 2.317 2.340 . 0 0 "[ . 1 . 2]" 1
708 1 31 VAL HA 1 33 SER H . . 4.910 4.963 4.947 4.968 0.058 20 0 "[ . 1 . 2]" 1
709 1 31 VAL HB 1 32 CYS H . . 3.300 2.894 2.881 2.906 . 0 0 "[ . 1 . 2]" 1
710 1 31 VAL HB 1 65 HIS QB . . 3.870 3.183 3.173 3.189 . 0 0 "[ . 1 . 2]" 1
711 1 31 VAL MG1 1 32 CYS HA . . 3.890 3.898 3.888 3.907 0.017 18 0 "[ . 1 . 2]" 1
712 1 31 VAL MG1 1 32 CYS HB2 . . 4.510 4.520 4.518 4.522 0.012 13 0 "[ . 1 . 2]" 1
713 1 31 VAL MG1 1 32 CYS HB3 . . 3.730 2.970 2.965 2.976 . 0 0 "[ . 1 . 2]" 1
714 1 31 VAL MG1 1 63 CYS HB2 . . 4.630 2.808 2.775 2.859 . 0 0 "[ . 1 . 2]" 1
715 1 31 VAL MG1 1 63 CYS HB3 . . 3.890 3.227 3.183 3.297 . 0 0 "[ . 1 . 2]" 1
716 1 31 VAL MG1 1 65 HIS HA . . 4.740 4.794 4.787 4.802 0.062 18 0 "[ . 1 . 2]" 1
717 1 31 VAL MG1 1 65 HIS QB . . 3.220 2.655 2.637 2.672 . 0 0 "[ . 1 . 2]" 1
718 1 31 VAL MG2 1 65 HIS HA . . 4.700 4.742 4.740 4.746 0.046 4 0 "[ . 1 . 2]" 1
719 1 31 VAL MG2 1 65 HIS QB . . 3.050 2.690 2.679 2.702 . 0 0 "[ . 1 . 2]" 1
720 1 31 VAL MG2 1 65 HIS HD2 . . 4.290 3.610 3.568 3.647 . 0 0 "[ . 1 . 2]" 1
721 1 31 VAL MG2 1 65 HIS HE1 . . 4.240 2.931 2.875 2.998 . 0 0 "[ . 1 . 2]" 1
722 1 32 CYS H 1 32 CYS HB2 . . 3.770 3.759 3.754 3.768 . 0 0 "[ . 1 . 2]" 1
723 1 32 CYS H 1 32 CYS HB3 . . 3.500 3.022 3.014 3.034 . 0 0 "[ . 1 . 2]" 1
724 1 32 CYS H 1 33 SER H . . 3.140 2.017 1.996 2.057 . 0 0 "[ . 1 . 2]" 1
725 1 32 CYS H 1 34 LYS H . . 4.410 3.888 3.866 3.896 . 0 0 "[ . 1 . 2]" 1
726 1 32 CYS HA 1 33 SER HB2 . . 5.120 4.347 4.281 4.387 . 0 0 "[ . 1 . 2]" 1
727 1 32 CYS HA 1 33 SER HB3 . . 5.120 4.880 4.847 4.912 . 0 0 "[ . 1 . 2]" 1
728 1 32 CYS HA 1 63 CYS HB3 . . 4.830 4.847 4.838 4.860 0.030 14 0 "[ . 1 . 2]" 1
729 1 32 CYS HB2 1 33 SER H . . 4.520 4.125 4.096 4.182 . 0 0 "[ . 1 . 2]" 1
730 1 32 CYS HB2 1 63 CYS HB3 . . 4.180 3.692 3.619 3.743 . 0 0 "[ . 1 . 2]" 1
731 1 32 CYS HB3 1 63 CYS HB2 . . 4.200 3.772 3.728 3.809 . 0 0 "[ . 1 . 2]" 1
732 1 32 CYS HB3 1 63 CYS HB3 . . 4.120 2.459 2.441 2.481 . 0 0 "[ . 1 . 2]" 1
733 1 33 SER H 1 33 SER HA . . 2.740 2.273 2.266 2.279 . 0 0 "[ . 1 . 2]" 1
734 1 33 SER H 1 34 LYS H . . 3.360 2.716 2.693 2.744 . 0 0 "[ . 1 . 2]" 1
735 1 34 LYS H 1 34 LYS QB . . 3.440 2.274 2.245 2.307 . 0 0 "[ . 1 . 2]" 1
736 1 34 LYS H 1 34 LYS HG3 . . 3.330 3.344 3.292 3.418 0.088 16 0 "[ . 1 . 2]" 1
737 1 34 LYS HA 1 34 LYS QD . . 2.950 2.994 2.985 3.015 0.065 18 0 "[ . 1 . 2]" 1
738 1 34 LYS HA 1 34 LYS HG2 . . 3.940 2.293 2.218 2.343 . 0 0 "[ . 1 . 2]" 1
739 1 34 LYS HA 1 34 LYS HG3 . . 3.480 3.555 3.493 3.592 0.112 14 0 "[ . 1 . 2]" 1
740 1 34 LYS QB 1 37 PHE HB3 . . 5.240 3.264 3.199 3.312 . 0 0 "[ . 1 . 2]" 1
741 1 34 LYS QB 1 37 PHE QD . . 3.760 3.453 3.409 3.480 . 0 0 "[ . 1 . 2]" 1
742 1 34 LYS QB 1 37 PHE QE . . 5.220 4.522 4.471 4.562 . 0 0 "[ . 1 . 2]" 1
743 1 34 LYS QB 1 62 ASN HB2 . . 4.900 3.148 3.059 3.177 . 0 0 "[ . 1 . 2]" 1
744 1 34 LYS QB 1 62 ASN HB3 . . 3.860 2.938 2.883 2.999 . 0 0 "[ . 1 . 2]" 1
745 1 34 LYS HB2 1 37 PHE QD . . 4.450 4.380 4.333 4.425 . 0 0 "[ . 1 . 2]" 1
746 1 34 LYS HB2 1 62 ASN HB3 . . 4.400 3.023 2.964 3.089 . 0 0 "[ . 1 . 2]" 1
747 1 34 LYS HB3 1 37 PHE QD . . 4.450 3.615 3.566 3.645 . 0 0 "[ . 1 . 2]" 1
748 1 34 LYS HB3 1 62 ASN HB3 . . 4.400 3.999 3.938 4.061 . 0 0 "[ . 1 . 2]" 1
749 1 34 LYS QD 1 37 PHE HA . . 5.240 5.282 5.271 5.285 0.045 8 0 "[ . 1 . 2]" 1
750 1 34 LYS QD 1 37 PHE HB2 . . 4.540 3.501 3.473 3.522 . 0 0 "[ . 1 . 2]" 1
751 1 34 LYS QD 1 37 PHE HB3 . . 4.510 3.793 3.747 3.861 . 0 0 "[ . 1 . 2]" 1
752 1 34 LYS QD 1 37 PHE QD . . 4.350 2.758 2.716 2.820 . 0 0 "[ . 1 . 2]" 1
753 1 34 LYS QD 1 37 PHE QE . . 4.240 2.960 2.905 2.987 . 0 0 "[ . 1 . 2]" 1
754 1 34 LYS QD 1 62 ASN HA . . 4.180 4.235 4.208 4.241 0.061 19 0 "[ . 1 . 2]" 1
755 1 34 LYS QD 1 62 ASN HB2 . . 3.640 2.179 2.170 2.184 . 0 0 "[ . 1 . 2]" 1
756 1 34 LYS QD 1 62 ASN HB3 . . 3.430 3.462 3.449 3.469 0.039 1 0 "[ . 1 . 2]" 1
757 1 34 LYS HG2 1 37 PHE QE . . 5.310 5.678 5.606 5.705 0.395 17 0 "[ . 1 . 2]" 1
758 1 34 LYS HG2 1 62 ASN HB2 . . 4.760 4.195 4.148 4.374 . 0 0 "[ . 1 . 2]" 1
759 1 34 LYS HG2 1 62 ASN HB3 . . 4.710 4.492 4.436 4.697 . 0 0 "[ . 1 . 2]" 1
760 1 34 LYS HG3 1 37 PHE QE . . 5.320 5.095 5.085 5.123 . 0 0 "[ . 1 . 2]" 1
761 1 34 LYS HG3 1 62 ASN HB2 . . 4.510 2.651 2.586 2.891 . 0 0 "[ . 1 . 2]" 1
762 1 34 LYS HG3 1 62 ASN HB3 . . 3.980 2.775 2.707 3.026 . 0 0 "[ . 1 . 2]" 1
763 1 35 ARG HA 1 35 ARG HD2 . . 4.120 3.997 3.921 4.654 0.534 5 1 "[ + 1 . 2]" 1
764 1 35 ARG HA 1 35 ARG HD3 . . 4.120 4.472 3.870 4.563 0.443 13 0 "[ . 1 . 2]" 1
765 1 35 ARG HA 1 35 ARG HG2 . . 3.720 3.156 2.979 3.360 . 0 0 "[ . 1 . 2]" 1
766 1 35 ARG HA 1 35 ARG QG . . 3.240 2.205 2.141 2.344 . 0 0 "[ . 1 . 2]" 1
767 1 35 ARG HA 1 35 ARG HG3 . . 3.720 2.251 2.195 2.396 . 0 0 "[ . 1 . 2]" 1
768 1 35 ARG HA 1 36 ASP H . . 3.570 2.409 2.392 2.428 . 0 0 "[ . 1 . 2]" 1
769 1 35 ARG HA 1 37 PHE H . . 4.710 3.297 3.155 3.371 . 0 0 "[ . 1 . 2]" 1
770 1 35 ARG HB2 1 35 ARG HD2 . . 3.500 2.515 2.336 3.656 0.156 5 0 "[ . 1 . 2]" 1
771 1 35 ARG HB2 1 35 ARG QD . . 3.040 2.263 2.207 2.441 . 0 0 "[ . 1 . 2]" 1
772 1 35 ARG HB2 1 35 ARG HD3 . . 3.500 2.805 2.242 2.939 . 0 0 "[ . 1 . 2]" 1
773 1 35 ARG HB2 1 36 ASP H . . 4.310 3.961 3.894 3.993 . 0 0 "[ . 1 . 2]" 1
774 1 35 ARG HB3 1 35 ARG HD2 . . 4.100 3.366 3.227 3.899 . 0 0 "[ . 1 . 2]" 1
775 1 35 ARG HB3 1 35 ARG QD . . 3.270 2.655 2.604 3.245 . 0 0 "[ . 1 . 2]" 1
776 1 35 ARG HB3 1 35 ARG HD3 . . 4.100 2.788 2.668 3.471 . 0 0 "[ . 1 . 2]" 1
777 1 35 ARG HB3 1 36 ASP H . . 3.640 3.558 3.462 3.659 0.019 5 0 "[ . 1 . 2]" 1
778 1 35 ARG QG 1 36 ASP H . . 4.320 1.994 1.949 2.017 . 0 0 "[ . 1 . 2]" 1
779 1 36 ASP H 1 37 PHE H . . 3.720 2.739 2.706 2.776 . 0 0 "[ . 1 . 2]" 1
780 1 36 ASP HA 1 36 ASP HB3 . . 2.850 2.366 2.358 2.373 . 0 0 "[ . 1 . 2]" 1
781 1 36 ASP HA 1 37 PHE H . . 2.970 2.767 2.755 2.850 . 0 0 "[ . 1 . 2]" 1
782 1 36 ASP HA 1 37 PHE QD . . 4.980 4.463 4.439 4.498 . 0 0 "[ . 1 . 2]" 1
783 1 36 ASP HB2 1 37 PHE H . . 4.320 4.407 4.405 4.411 0.091 14 0 "[ . 1 . 2]" 1
784 1 36 ASP HB2 1 37 PHE QD . . 5.200 4.327 4.293 4.346 . 0 0 "[ . 1 . 2]" 1
785 1 36 ASP HB3 1 37 PHE QD . . 4.870 4.929 4.919 4.936 0.066 18 0 "[ . 1 . 2]" 1
786 1 37 PHE H 1 37 PHE HB2 . . 3.130 2.458 2.403 2.481 . 0 0 "[ . 1 . 2]" 1
787 1 37 PHE H 1 37 PHE HB3 . . 4.030 3.558 3.535 3.571 . 0 0 "[ . 1 . 2]" 1
788 1 37 PHE H 1 37 PHE QD . . 3.650 3.299 3.209 3.320 . 0 0 "[ . 1 . 2]" 1
789 1 37 PHE H 1 38 MET HG2 . . 4.880 4.476 3.386 4.552 . 0 0 "[ . 1 . 2]" 1
790 1 37 PHE H 1 61 LYS H . . 5.270 5.000 4.970 5.031 . 0 0 "[ . 1 . 2]" 1
791 1 37 PHE HA 1 37 PHE QD . . 3.810 2.838 2.826 2.867 . 0 0 "[ . 1 . 2]" 1
792 1 37 PHE HA 1 37 PHE QE . . 4.630 4.523 4.509 4.540 . 0 0 "[ . 1 . 2]" 1
793 1 37 PHE HA 1 38 MET H . . 2.880 2.171 2.166 2.177 . 0 0 "[ . 1 . 2]" 1
794 1 37 PHE HA 1 61 LYS HB2 . . 4.290 3.458 3.361 3.512 . 0 0 "[ . 1 . 2]" 1
795 1 37 PHE HA 1 61 LYS HB3 . . 4.230 2.535 2.448 2.590 . 0 0 "[ . 1 . 2]" 1
796 1 37 PHE HB2 1 61 LYS H . . 4.300 4.007 3.971 4.041 . 0 0 "[ . 1 . 2]" 1
797 1 37 PHE HB2 1 61 LYS HB3 . . 4.670 3.732 3.719 3.751 . 0 0 "[ . 1 . 2]" 1
798 1 37 PHE HB3 1 38 MET H . . 3.900 3.934 3.919 3.941 0.041 1 0 "[ . 1 . 2]" 1
799 1 37 PHE HB3 1 60 CYS HA . . 3.870 3.914 3.901 3.929 0.059 14 0 "[ . 1 . 2]" 1
800 1 37 PHE HB3 1 61 LYS H . . 3.890 2.496 2.471 2.533 . 0 0 "[ . 1 . 2]" 1
801 1 37 PHE HB3 1 61 LYS HA . . 4.960 4.569 4.542 4.605 . 0 0 "[ . 1 . 2]" 1
802 1 37 PHE HB3 1 61 LYS HB2 . . 4.300 3.783 3.765 3.810 . 0 0 "[ . 1 . 2]" 1
803 1 37 PHE HB3 1 61 LYS HB3 . . 3.920 2.195 2.174 2.238 . 0 0 "[ . 1 . 2]" 1
804 1 37 PHE HB3 1 61 LYS HG3 . . 4.940 4.002 3.966 4.039 . 0 0 "[ . 1 . 2]" 1
805 1 37 PHE HB3 1 62 ASN H . . 3.740 3.124 3.072 3.157 . 0 0 "[ . 1 . 2]" 1
806 1 37 PHE HB3 1 62 ASN HB2 . . 4.910 3.749 3.589 3.826 . 0 0 "[ . 1 . 2]" 1
807 1 37 PHE HB3 1 62 ASN HB3 . . 4.480 4.145 4.065 4.204 . 0 0 "[ . 1 . 2]" 1
808 1 37 PHE QD 1 38 MET H . . 4.550 4.609 4.604 4.617 0.067 17 0 "[ . 1 . 2]" 1
809 1 37 PHE QD 1 61 LYS HD2 . . 4.950 4.763 4.756 4.773 . 0 0 "[ . 1 . 2]" 1
810 1 37 PHE QD 1 62 ASN HB2 . . 5.100 2.428 2.343 2.492 . 0 0 "[ . 1 . 2]" 1
811 1 37 PHE QD 1 62 ASN HB3 . . 4.460 3.646 3.595 3.684 . 0 0 "[ . 1 . 2]" 1
812 1 37 PHE QE 1 61 LYS HB3 . . 4.980 4.364 4.314 4.456 . 0 0 "[ . 1 . 2]" 1
813 1 37 PHE QE 1 62 ASN HB3 . . 5.070 5.063 4.999 5.080 0.010 15 0 "[ . 1 . 2]" 1
814 1 38 MET H 1 39 LEU H . . 4.410 4.293 4.258 4.309 . 0 0 "[ . 1 . 2]" 1
815 1 38 MET H 1 39 LEU MD2 . . 4.870 3.603 3.475 3.651 . 0 0 "[ . 1 . 2]" 1
816 1 38 MET HA 1 39 LEU H . . 3.350 2.102 2.088 2.114 . 0 0 "[ . 1 . 2]" 1
817 1 38 MET HA 1 59 LEU H . . 4.690 4.149 4.113 4.195 . 0 0 "[ . 1 . 2]" 1
818 1 38 MET HA 1 60 CYS HA . . 3.360 2.839 2.720 2.868 . 0 0 "[ . 1 . 2]" 1
819 1 38 MET HA 1 61 LYS H . . 3.930 2.420 2.370 2.444 . 0 0 "[ . 1 . 2]" 1
820 1 38 MET HA 1 61 LYS HB2 . . 5.240 3.278 3.242 3.346 . 0 0 "[ . 1 . 2]" 1
821 1 38 MET HA 1 61 LYS HB3 . . 5.240 3.785 3.732 3.875 . 0 0 "[ . 1 . 2]" 1
822 1 38 MET HA 1 67 ILE MD . . 3.610 3.272 3.210 3.307 . 0 0 "[ . 1 . 2]" 1
823 1 38 MET HB2 1 39 LEU H . . 3.810 2.574 2.537 2.729 . 0 0 "[ . 1 . 2]" 1
824 1 38 MET HB2 1 58 HIS HA . . 4.680 4.439 4.294 4.703 0.023 14 0 "[ . 1 . 2]" 1
825 1 38 MET HB2 1 58 HIS HB2 . . 5.310 4.988 4.903 5.244 . 0 0 "[ . 1 . 2]" 1
826 1 38 MET HB2 1 59 LEU H . . 4.590 3.554 3.460 3.908 . 0 0 "[ . 1 . 2]" 1
827 1 38 MET HB2 1 60 CYS HA . . 4.730 4.650 4.565 4.749 0.019 14 0 "[ . 1 . 2]" 1
828 1 38 MET HB2 1 67 ILE MD . . 3.560 3.368 3.294 3.485 . 0 0 "[ . 1 . 2]" 1
829 1 38 MET HB3 1 39 LEU H . . 3.940 3.447 3.369 3.502 . 0 0 "[ . 1 . 2]" 1
830 1 38 MET HB3 1 58 HIS HB2 . . 5.290 5.309 5.296 5.322 0.032 11 0 "[ . 1 . 2]" 1
831 1 38 MET HB3 1 59 LEU H . . 4.350 4.403 4.396 4.412 0.062 13 0 "[ . 1 . 2]" 1
832 1 38 MET HB3 1 60 CYS HA . . 4.070 3.564 3.487 3.624 . 0 0 "[ . 1 . 2]" 1
833 1 38 MET HB3 1 67 ILE MD . . 3.690 2.389 2.332 2.422 . 0 0 "[ . 1 . 2]" 1
834 1 38 MET ME 1 58 HIS HB3 . . 4.410 3.402 3.005 3.556 . 0 0 "[ . 1 . 2]" 1
835 1 38 MET ME 1 60 CYS HA . . 5.090 4.783 4.693 5.030 . 0 0 "[ . 1 . 2]" 1
836 1 38 MET ME 1 67 ILE MD . . 3.360 2.327 2.254 2.685 . 0 0 "[ . 1 . 2]" 1
837 1 38 MET ME 1 67 ILE MG . . 3.420 2.594 2.537 2.754 . 0 0 "[ . 1 . 2]" 1
838 1 38 MET ME 1 89 LEU MD1 . . 3.750 3.285 3.237 3.371 . 0 0 "[ . 1 . 2]" 1
839 1 38 MET ME 1 89 LEU MD2 . . 2.930 2.169 1.991 2.268 . 0 0 "[ . 1 . 2]" 1
840 1 38 MET HG2 1 89 LEU MD2 . . 5.470 5.546 5.305 5.607 0.137 13 0 "[ . 1 . 2]" 1
841 1 39 LEU H 1 39 LEU MD2 . . 3.700 3.232 3.197 3.247 . 0 0 "[ . 1 . 2]" 1
842 1 39 LEU H 1 40 ILE H . . 4.490 4.425 4.418 4.434 . 0 0 "[ . 1 . 2]" 1
843 1 39 LEU H 1 59 LEU H . . 3.610 2.680 2.632 2.710 . 0 0 "[ . 1 . 2]" 1
844 1 39 LEU H 1 61 LYS HA . . 5.230 4.586 4.550 4.638 . 0 0 "[ . 1 . 2]" 1
845 1 39 LEU HA 1 39 LEU MD1 . . 2.800 2.595 2.592 2.604 . 0 0 "[ . 1 . 2]" 1
846 1 39 LEU HA 1 39 LEU MD2 . . 3.060 2.168 2.162 2.188 . 0 0 "[ . 1 . 2]" 1
847 1 39 LEU HA 1 39 LEU HG . . 3.740 3.778 3.776 3.785 0.045 14 0 "[ . 1 . 2]" 1
848 1 39 LEU HA 1 40 ILE H . . 2.570 2.411 2.386 2.428 . 0 0 "[ . 1 . 2]" 1
849 1 39 LEU HA 1 40 ILE HB . . 5.020 4.430 4.390 4.493 . 0 0 "[ . 1 . 2]" 1
850 1 39 LEU HA 1 40 ILE MD . . 5.160 4.850 4.810 4.928 . 0 0 "[ . 1 . 2]" 1
851 1 39 LEU HA 1 59 LEU H . . 4.790 4.723 4.685 4.761 . 0 0 "[ . 1 . 2]" 1
852 1 39 LEU HB2 1 39 LEU MD1 . . 3.240 3.137 3.135 3.141 . 0 0 "[ . 1 . 2]" 1
853 1 39 LEU HB2 1 39 LEU MD2 . . 3.370 2.770 2.743 2.783 . 0 0 "[ . 1 . 2]" 1
854 1 39 LEU HB2 1 41 THR HB . . 5.210 5.249 5.218 5.267 0.057 5 0 "[ . 1 . 2]" 1
855 1 39 LEU HB2 1 59 LEU H . . 3.860 3.768 3.713 3.829 . 0 0 "[ . 1 . 2]" 1
856 1 39 LEU HB2 1 59 LEU HB2 . . 3.210 2.657 2.597 2.761 . 0 0 "[ . 1 . 2]" 1
857 1 39 LEU HB2 1 59 LEU QD . . 4.310 3.768 3.715 3.865 . 0 0 "[ . 1 . 2]" 1
858 1 39 LEU HB2 1 61 LYS HA . . 3.880 3.859 3.841 3.872 . 0 0 "[ . 1 . 2]" 1
859 1 39 LEU HB3 1 39 LEU MD1 . . 3.390 2.184 2.181 2.192 . 0 0 "[ . 1 . 2]" 1
860 1 39 LEU HB3 1 39 LEU MD2 . . 3.150 3.201 3.199 3.202 0.052 14 0 "[ . 1 . 2]" 1
861 1 39 LEU HB3 1 39 LEU HG . . 2.880 2.602 2.591 2.608 . 0 0 "[ . 1 . 2]" 1
862 1 39 LEU HB3 1 41 THR HB . . 4.490 4.046 3.981 4.085 . 0 0 "[ . 1 . 2]" 1
863 1 39 LEU HB3 1 41 THR MG . . 5.180 5.015 4.921 5.068 . 0 0 "[ . 1 . 2]" 1
864 1 39 LEU HB3 1 59 LEU QD . . 4.130 3.653 3.589 3.758 . 0 0 "[ . 1 . 2]" 1
865 1 39 LEU HB3 1 61 LYS HA . . 5.320 5.340 5.331 5.348 0.028 18 0 "[ . 1 . 2]" 1
866 1 39 LEU HB3 1 64 HIS HD2 . . 4.320 4.300 4.246 4.327 0.007 1 0 "[ . 1 . 2]" 1
867 1 39 LEU MD1 1 41 THR HB . . 4.970 4.462 4.338 4.514 . 0 0 "[ . 1 . 2]" 1
868 1 39 LEU MD1 1 64 HIS HD2 . . 4.740 4.614 4.583 4.673 . 0 0 "[ . 1 . 2]" 1
869 1 39 LEU MD2 1 61 LYS H . . 4.750 4.094 4.048 4.117 . 0 0 "[ . 1 . 2]" 1
870 1 39 LEU MD2 1 61 LYS HA . . 3.390 3.041 3.022 3.053 . 0 0 "[ . 1 . 2]" 1
871 1 39 LEU MD2 1 61 LYS HB2 . . 3.620 2.134 2.112 2.146 . 0 0 "[ . 1 . 2]" 1
872 1 39 LEU MD2 1 61 LYS HB3 . . 4.270 3.720 3.697 3.733 . 0 0 "[ . 1 . 2]" 1
873 1 39 LEU MD2 1 64 HIS HD2 . . 4.650 4.662 4.657 4.672 0.022 14 0 "[ . 1 . 2]" 1
874 1 39 LEU HG 1 61 LYS HA . . 3.440 3.487 3.484 3.491 0.051 13 0 "[ . 1 . 2]" 1
875 1 39 LEU HG 1 61 LYS HB2 . . 4.020 4.058 4.048 4.066 0.046 18 0 "[ . 1 . 2]" 1
876 1 40 ILE H 1 40 ILE HB . . 2.540 2.586 2.575 2.603 0.063 14 0 "[ . 1 . 2]" 1
877 1 40 ILE H 1 41 THR H . . 4.280 4.306 4.297 4.313 0.033 5 0 "[ . 1 . 2]" 1
878 1 40 ILE H 1 59 LEU H . . 5.120 4.884 4.838 4.960 . 0 0 "[ . 1 . 2]" 1
879 1 40 ILE HA 1 40 ILE MD . . 3.930 3.889 3.876 3.904 . 0 0 "[ . 1 . 2]" 1
880 1 40 ILE HA 1 40 ILE HG12 . . 3.640 2.566 2.539 2.591 . 0 0 "[ . 1 . 2]" 1
881 1 40 ILE HA 1 40 ILE HG13 . . 3.210 2.874 2.825 2.931 . 0 0 "[ . 1 . 2]" 1
882 1 40 ILE HA 1 40 ILE MG . . 3.120 2.522 2.484 2.563 . 0 0 "[ . 1 . 2]" 1
883 1 40 ILE HA 1 56 TYR QD . . 4.770 3.902 3.810 4.015 . 0 0 "[ . 1 . 2]" 1
884 1 40 ILE HA 1 58 HIS HA . . 3.250 2.820 2.736 2.968 . 0 0 "[ . 1 . 2]" 1
885 1 40 ILE HA 1 59 LEU H . . 4.390 3.677 3.589 3.755 . 0 0 "[ . 1 . 2]" 1
886 1 40 ILE HB 1 40 ILE MD . . 2.930 2.381 2.367 2.404 . 0 0 "[ . 1 . 2]" 1
887 1 40 ILE HB 1 41 THR HA . . 5.170 4.887 4.822 4.944 . 0 0 "[ . 1 . 2]" 1
888 1 40 ILE HB 1 56 TYR QD . . 5.410 4.945 4.812 5.016 . 0 0 "[ . 1 . 2]" 1
889 1 40 ILE MD 1 40 ILE MG . . 2.700 2.112 2.105 2.127 . 0 0 "[ . 1 . 2]" 1
890 1 40 ILE MD 1 56 TYR QD . . 4.170 3.578 3.430 3.690 . 0 0 "[ . 1 . 2]" 1
891 1 40 ILE MD 1 58 HIS HA . . 5.000 4.709 4.582 4.781 . 0 0 "[ . 1 . 2]" 1
892 1 40 ILE MD 1 58 HIS HE1 . . 4.570 3.891 3.693 4.022 . 0 0 "[ . 1 . 2]" 1
893 1 40 ILE HG12 1 40 ILE MG . . 3.260 2.440 2.428 2.451 . 0 0 "[ . 1 . 2]" 1
894 1 40 ILE HG12 1 41 THR H . . 4.680 4.262 4.234 4.303 . 0 0 "[ . 1 . 2]" 1
895 1 40 ILE HG12 1 58 HIS HA . . 4.530 3.225 3.088 3.335 . 0 0 "[ . 1 . 2]" 1
896 1 40 ILE HG13 1 40 ILE MG . . 3.480 3.263 3.258 3.268 . 0 0 "[ . 1 . 2]" 1
897 1 40 ILE HG13 1 41 THR H . . 4.790 4.929 4.894 4.966 0.176 4 0 "[ . 1 . 2]" 1
898 1 40 ILE HG13 1 58 HIS HA . . 3.940 3.843 3.702 3.987 0.047 4 0 "[ . 1 . 2]" 1
899 1 40 ILE MG 1 41 THR H . . 3.110 2.600 2.552 2.667 . 0 0 "[ . 1 . 2]" 1
900 1 40 ILE MG 1 41 THR HA . . 3.950 3.356 3.323 3.383 . 0 0 "[ . 1 . 2]" 1
901 1 40 ILE MG 1 41 THR HB . . 5.180 4.723 4.695 4.759 . 0 0 "[ . 1 . 2]" 1
902 1 40 ILE MG 1 41 THR MG . . 5.050 4.584 4.553 4.622 . 0 0 "[ . 1 . 2]" 1
903 1 40 ILE MG 1 43 LYS H . . 4.460 3.839 3.697 3.989 . 0 0 "[ . 1 . 2]" 1
904 1 40 ILE MG 1 43 LYS HB2 . . 3.470 2.756 2.579 2.917 . 0 0 "[ . 1 . 2]" 1
905 1 40 ILE MG 1 43 LYS HD2 . . 3.930 2.838 2.179 3.719 . 0 0 "[ . 1 . 2]" 1
906 1 40 ILE MG 1 43 LYS HD3 . . 4.340 3.738 2.271 4.748 0.408 5 0 "[ . 1 . 2]" 1
907 1 40 ILE MG 1 43 LYS QG . . 3.690 3.660 3.197 3.770 0.080 17 0 "[ . 1 . 2]" 1
908 1 40 ILE MG 1 56 TYR HA . . 4.600 4.611 4.590 4.638 0.038 13 0 "[ . 1 . 2]" 1
909 1 40 ILE MG 1 56 TYR HB2 . . 3.550 2.617 2.566 2.674 . 0 0 "[ . 1 . 2]" 1
910 1 40 ILE MG 1 56 TYR HB3 . . 3.810 3.629 3.564 3.705 . 0 0 "[ . 1 . 2]" 1
911 1 40 ILE MG 1 56 TYR QD . . 3.340 2.253 2.182 2.311 . 0 0 "[ . 1 . 2]" 1
912 1 40 ILE MG 1 57 ASP H . . 3.900 3.153 3.110 3.213 . 0 0 "[ . 1 . 2]" 1
913 1 40 ILE MG 1 57 ASP HB2 . . 5.430 4.802 4.675 4.887 . 0 0 "[ . 1 . 2]" 1
914 1 40 ILE MG 1 58 HIS HA . . 4.710 4.239 4.145 4.352 . 0 0 "[ . 1 . 2]" 1
915 1 41 THR H 1 41 THR HB . . 3.800 3.166 3.150 3.175 . 0 0 "[ . 1 . 2]" 1
916 1 41 THR H 1 41 THR MG . . 3.100 2.835 2.821 2.858 . 0 0 "[ . 1 . 2]" 1
917 1 41 THR H 1 42 ASN H . . 4.430 4.414 4.399 4.424 . 0 0 "[ . 1 . 2]" 1
918 1 41 THR H 1 43 LYS H . . 4.560 4.425 4.326 4.512 . 0 0 "[ . 1 . 2]" 1
919 1 41 THR H 1 56 TYR HB2 . . 4.440 3.957 3.924 4.006 . 0 0 "[ . 1 . 2]" 1
920 1 41 THR H 1 56 TYR QD . . 4.690 4.121 4.047 4.193 . 0 0 "[ . 1 . 2]" 1
921 1 41 THR H 1 57 ASP H . . 3.730 3.331 3.309 3.357 . 0 0 "[ . 1 . 2]" 1
922 1 41 THR H 1 57 ASP HB3 . . 5.380 4.816 4.748 5.011 . 0 0 "[ . 1 . 2]" 1
923 1 41 THR H 1 59 LEU H . . 5.300 5.029 4.970 5.072 . 0 0 "[ . 1 . 2]" 1
924 1 41 THR H 1 59 LEU QD . . 4.140 2.752 2.668 2.791 . 0 0 "[ . 1 . 2]" 1
925 1 41 THR HA 1 41 THR HB . . 2.770 2.629 2.624 2.643 . 0 0 "[ . 1 . 2]" 1
926 1 41 THR HA 1 41 THR MG . . 3.230 3.220 3.214 3.229 . 0 0 "[ . 1 . 2]" 1
927 1 41 THR HA 1 42 ASN H . . 2.700 2.479 2.440 2.525 . 0 0 "[ . 1 . 2]" 1
928 1 41 THR HA 1 43 LYS H . . 3.270 3.263 3.230 3.294 0.024 9 0 "[ . 1 . 2]" 1
929 1 41 THR HA 1 43 LYS HB2 . . 4.400 4.109 4.027 4.163 . 0 0 "[ . 1 . 2]" 1
930 1 41 THR HA 1 59 LEU QD . . 4.290 4.177 4.161 4.198 . 0 0 "[ . 1 . 2]" 1
931 1 41 THR HB 1 42 ASN HB3 . . 5.000 5.035 5.018 5.072 0.072 13 0 "[ . 1 . 2]" 1
932 1 41 THR HB 1 59 LEU QD . . 3.850 2.597 2.540 2.696 . 0 0 "[ . 1 . 2]" 1
933 1 41 THR MG 1 42 ASN H . . 3.600 2.655 2.563 2.738 . 0 0 "[ . 1 . 2]" 1
934 1 41 THR MG 1 42 ASN HA . . 4.320 3.809 3.681 3.898 . 0 0 "[ . 1 . 2]" 1
935 1 41 THR MG 1 42 ASN HB2 . . 3.910 3.281 2.322 3.699 . 0 0 "[ . 1 . 2]" 1
936 1 41 THR MG 1 42 ASN HB3 . . 4.400 2.334 2.247 2.526 . 0 0 "[ . 1 . 2]" 1
937 1 41 THR MG 1 42 ASN HD21 . . 5.000 3.433 3.153 4.091 . 0 0 "[ . 1 . 2]" 1
938 1 41 THR MG 1 42 ASN HD22 . . 5.000 4.624 4.352 5.236 0.236 13 0 "[ . 1 . 2]" 1
939 1 41 THR MG 1 43 LYS H . . 4.710 4.449 4.410 4.504 . 0 0 "[ . 1 . 2]" 1
940 1 41 THR MG 1 57 ASP H . . 4.470 4.486 4.475 4.496 0.026 9 0 "[ . 1 . 2]" 1
941 1 41 THR MG 1 57 ASP HB2 . . 3.500 3.170 3.123 3.238 . 0 0 "[ . 1 . 2]" 1
942 1 41 THR MG 1 57 ASP HB3 . . 4.590 4.256 4.127 4.474 . 0 0 "[ . 1 . 2]" 1
943 1 41 THR MG 1 59 LEU HB2 . . 5.000 4.150 4.028 4.227 . 0 0 "[ . 1 . 2]" 1
944 1 41 THR MG 1 59 LEU QD . . 2.630 1.816 1.797 1.831 . 0 0 "[ . 1 . 2]" 1
945 1 41 THR MG 1 59 LEU HG . . 3.960 3.949 3.913 3.974 0.014 4 0 "[ . 1 . 2]" 1
946 1 42 ASN H 1 42 ASN HA . . 2.820 2.245 2.221 2.293 . 0 0 "[ . 1 . 2]" 1
947 1 42 ASN H 1 43 LYS H . . 3.170 2.839 2.798 2.879 . 0 0 "[ . 1 . 2]" 1
948 1 42 ASN H 1 43 LYS HB2 . . 4.750 4.796 4.771 4.823 0.073 4 0 "[ . 1 . 2]" 1
949 1 42 ASN HA 1 43 LYS H . . 3.220 3.014 2.987 3.035 . 0 0 "[ . 1 . 2]" 1
950 1 42 ASN HA 1 43 LYS HA . . 4.910 4.862 4.847 4.883 . 0 0 "[ . 1 . 2]" 1
951 1 42 ASN HB3 1 57 ASP HB2 . . 4.240 4.064 3.488 4.297 0.057 7 0 "[ . 1 . 2]" 1
952 1 42 ASN HB3 1 59 LEU QD . . 5.010 4.095 3.714 4.298 . 0 0 "[ . 1 . 2]" 1
953 1 42 ASN HD21 1 59 LEU QD . . 5.000 4.217 4.068 4.489 . 0 0 "[ . 1 . 2]" 1
954 1 42 ASN HD22 1 59 LEU QD . . 5.000 5.128 4.826 5.775 0.775 19 6 "[ *. *1 -*.* +2]" 1
955 1 43 LYS H 1 43 LYS HB3 . . 2.990 2.692 2.606 2.835 . 0 0 "[ . 1 . 2]" 1
956 1 43 LYS H 1 56 TYR HB2 . . 3.900 3.915 3.877 3.936 0.036 13 0 "[ . 1 . 2]" 1
957 1 43 LYS H 1 57 ASP H . . 4.800 4.763 4.693 4.818 0.018 4 0 "[ . 1 . 2]" 1
958 1 43 LYS HA 1 44 SER H . . 2.850 2.063 2.041 2.080 . 0 0 "[ . 1 . 2]" 1
959 1 43 LYS HA 1 56 TYR HA . . 3.380 2.693 2.617 2.769 . 0 0 "[ . 1 . 2]" 1
960 1 43 LYS HA 1 56 TYR HB2 . . 3.440 2.875 2.820 2.924 . 0 0 "[ . 1 . 2]" 1
961 1 43 LYS HA 1 56 TYR HB3 . . 3.410 2.152 2.100 2.207 . 0 0 "[ . 1 . 2]" 1
962 1 43 LYS HA 1 56 TYR QD . . 4.210 4.165 4.073 4.235 0.025 20 0 "[ . 1 . 2]" 1
963 1 43 LYS HA 1 57 ASP H . . 5.000 4.296 4.238 4.353 . 0 0 "[ . 1 . 2]" 1
964 1 43 LYS HB2 1 56 TYR HB2 . . 4.340 3.154 3.021 3.364 . 0 0 "[ . 1 . 2]" 1
965 1 43 LYS HB2 1 56 TYR HB3 . . 4.240 3.195 3.128 3.394 . 0 0 "[ . 1 . 2]" 1
966 1 43 LYS HB2 1 56 TYR QD . . 4.960 4.518 4.440 4.668 . 0 0 "[ . 1 . 2]" 1
967 1 43 LYS HB3 1 44 SER H . . 4.330 4.258 4.226 4.293 . 0 0 "[ . 1 . 2]" 1
968 1 43 LYS HB3 1 44 SER HA . . 4.810 4.886 4.854 4.919 0.109 11 0 "[ . 1 . 2]" 1
969 1 43 LYS HB3 1 56 TYR HB2 . . 5.020 4.716 4.612 4.816 . 0 0 "[ . 1 . 2]" 1
970 1 43 LYS HB3 1 56 TYR HB3 . . 4.250 4.282 4.258 4.316 0.066 5 0 "[ . 1 . 2]" 1
971 1 43 LYS HD2 1 54 VAL MG1 . . 4.280 4.251 3.164 4.626 0.346 8 0 "[ . 1 . 2]" 1
972 1 43 LYS HD2 1 56 TYR HB2 . . 5.300 4.086 2.746 4.960 . 0 0 "[ . 1 . 2]" 1
973 1 43 LYS HD2 1 56 TYR HB3 . . 5.020 3.692 2.557 4.543 . 0 0 "[ . 1 . 2]" 1
974 1 43 LYS HD3 1 56 TYR HB3 . . 4.710 4.557 3.256 5.019 0.309 16 0 "[ . 1 . 2]" 1
975 1 43 LYS QG 1 44 SER H . . 3.520 3.063 2.955 3.189 . 0 0 "[ . 1 . 2]" 1
976 1 43 LYS QG 1 44 SER HA . . 4.940 4.259 4.132 4.445 . 0 0 "[ . 1 . 2]" 1
977 1 43 LYS QG 1 56 TYR HA . . 3.980 4.027 4.015 4.039 0.059 11 0 "[ . 1 . 2]" 1
978 1 43 LYS QG 1 56 TYR HB2 . . 3.660 3.236 2.895 3.407 . 0 0 "[ . 1 . 2]" 1
979 1 43 LYS QG 1 56 TYR HB3 . . 3.660 2.036 1.991 2.109 . 0 0 "[ . 1 . 2]" 1
980 1 43 LYS QG 1 56 TYR QD . . 3.640 2.987 2.754 3.287 . 0 0 "[ . 1 . 2]" 1
981 1 44 SER H 1 44 SER HB2 . . 3.320 2.442 2.415 2.461 . 0 0 "[ . 1 . 2]" 1
982 1 44 SER H 1 44 SER HB3 . . 3.640 3.664 3.649 3.673 0.033 9 0 "[ . 1 . 2]" 1
983 1 44 SER H 1 45 LEU H . . 4.640 4.525 4.515 4.541 . 0 0 "[ . 1 . 2]" 1
984 1 44 SER H 1 45 LEU HA . . 5.210 5.202 5.172 5.216 0.006 17 0 "[ . 1 . 2]" 1
985 1 44 SER H 1 54 VAL MG1 . . 4.550 4.299 4.192 4.409 . 0 0 "[ . 1 . 2]" 1
986 1 44 SER H 1 55 THR H . . 3.670 3.383 3.328 3.431 . 0 0 "[ . 1 . 2]" 1
987 1 44 SER H 1 55 THR HA . . 5.240 4.928 4.884 4.961 . 0 0 "[ . 1 . 2]" 1
988 1 44 SER H 1 56 TYR HA . . 3.660 3.477 3.447 3.517 . 0 0 "[ . 1 . 2]" 1
989 1 44 SER H 1 56 TYR HB2 . . 4.570 4.597 4.572 4.618 0.048 2 0 "[ . 1 . 2]" 1
990 1 44 SER H 1 56 TYR HB3 . . 3.640 3.409 3.333 3.451 . 0 0 "[ . 1 . 2]" 1
991 1 44 SER H 1 56 TYR QD . . 5.020 4.772 4.690 4.862 . 0 0 "[ . 1 . 2]" 1
992 1 44 SER HA 1 44 SER HB3 . . 2.750 2.548 2.526 2.568 . 0 0 "[ . 1 . 2]" 1
993 1 44 SER HA 1 45 LEU H . . 2.850 2.255 2.233 2.275 . 0 0 "[ . 1 . 2]" 1
994 1 44 SER HA 1 45 LEU HA . . 4.790 4.477 4.469 4.485 . 0 0 "[ . 1 . 2]" 1
995 1 44 SER HA 1 45 LEU HB2 . . 4.760 4.509 4.473 4.544 . 0 0 "[ . 1 . 2]" 1
996 1 44 SER HA 1 45 LEU HB3 . . 4.210 4.256 4.249 4.266 0.056 6 0 "[ . 1 . 2]" 1
997 1 44 SER HB2 1 45 LEU H . . 4.080 3.851 3.834 3.872 . 0 0 "[ . 1 . 2]" 1
998 1 44 SER HB2 1 45 LEU HA . . 5.110 4.809 4.777 4.861 . 0 0 "[ . 1 . 2]" 1
999 1 44 SER HB2 1 55 THR MG . . 4.900 4.324 4.271 4.383 . 0 0 "[ . 1 . 2]" 1
1000 1 44 SER HB3 1 45 LEU H . . 3.310 2.609 2.581 2.641 . 0 0 "[ . 1 . 2]" 1
1001 1 44 SER HB3 1 45 LEU HA . . 5.230 4.293 4.220 4.330 . 0 0 "[ . 1 . 2]" 1
1002 1 44 SER HB3 1 55 THR MG . . 5.050 5.053 5.015 5.069 0.019 11 0 "[ . 1 . 2]" 1
1003 1 45 LEU H 1 45 LEU HB2 . . 3.640 3.408 3.385 3.422 . 0 0 "[ . 1 . 2]" 1
1004 1 45 LEU H 1 45 LEU HB3 . . 2.900 2.753 2.732 2.767 . 0 0 "[ . 1 . 2]" 1
1005 1 45 LEU H 1 46 LYS H . . 4.470 4.293 4.278 4.318 . 0 0 "[ . 1 . 2]" 1
1006 1 45 LEU H 1 55 THR H . . 5.080 4.828 4.812 4.842 . 0 0 "[ . 1 . 2]" 1
1007 1 45 LEU HA 1 45 LEU MD1 . . 3.660 3.497 3.486 3.518 . 0 0 "[ . 1 . 2]" 1
1008 1 45 LEU HA 1 45 LEU MD2 . . 3.680 3.636 3.633 3.639 . 0 0 "[ . 1 . 2]" 1
1009 1 45 LEU HA 1 45 LEU HG . . 3.370 2.616 2.607 2.628 . 0 0 "[ . 1 . 2]" 1
1010 1 45 LEU HA 1 46 LYS H . . 2.640 2.158 2.150 2.175 . 0 0 "[ . 1 . 2]" 1
1011 1 45 LEU HA 1 46 LYS HA . . 5.120 4.473 4.462 4.480 . 0 0 "[ . 1 . 2]" 1
1012 1 45 LEU HA 1 46 LYS HB2 . . 5.340 4.009 3.962 4.053 . 0 0 "[ . 1 . 2]" 1
1013 1 45 LEU HA 1 46 LYS HB3 . . 5.490 4.996 4.944 5.057 . 0 0 "[ . 1 . 2]" 1
1014 1 45 LEU HA 1 53 ILE H . . 4.660 4.592 4.583 4.604 . 0 0 "[ . 1 . 2]" 1
1015 1 45 LEU HA 1 53 ILE MG . . 4.410 4.426 4.420 4.433 0.023 19 0 "[ . 1 . 2]" 1
1016 1 45 LEU HA 1 54 VAL HA . . 3.040 2.485 2.472 2.513 . 0 0 "[ . 1 . 2]" 1
1017 1 45 LEU HA 1 54 VAL MG1 . . 3.820 3.832 3.825 3.843 0.023 17 0 "[ . 1 . 2]" 1
1018 1 45 LEU HA 1 54 VAL MG2 . . 3.350 3.353 3.339 3.363 0.013 4 0 "[ . 1 . 2]" 1
1019 1 45 LEU HA 1 55 THR H . . 3.460 3.490 3.475 3.504 0.044 4 0 "[ . 1 . 2]" 1
1020 1 45 LEU HB2 1 45 LEU MD1 . . 3.350 2.205 2.196 2.209 . 0 0 "[ . 1 . 2]" 1
1021 1 45 LEU HB2 1 45 LEU MD2 . . 3.280 3.186 3.181 3.192 . 0 0 "[ . 1 . 2]" 1
1022 1 45 LEU HB2 1 45 LEU HG . . 2.800 2.731 2.726 2.736 . 0 0 "[ . 1 . 2]" 1
1023 1 45 LEU HB2 1 46 LYS H . . 4.080 3.980 3.969 4.016 . 0 0 "[ . 1 . 2]" 1
1024 1 45 LEU HB2 1 54 VAL HA . . 3.960 3.624 3.611 3.635 . 0 0 "[ . 1 . 2]" 1
1025 1 45 LEU HB2 1 54 VAL MG1 . . 3.660 3.461 3.454 3.478 . 0 0 "[ . 1 . 2]" 1
1026 1 45 LEU HB2 1 54 VAL MG2 . . 3.750 3.126 3.081 3.144 . 0 0 "[ . 1 . 2]" 1
1027 1 45 LEU HB3 1 45 LEU MD1 . . 3.180 2.724 2.707 2.742 . 0 0 "[ . 1 . 2]" 1
1028 1 45 LEU HB3 1 45 LEU MD2 . . 3.040 2.294 2.287 2.303 . 0 0 "[ . 1 . 2]" 1
1029 1 45 LEU HB3 1 45 LEU HG . . 3.010 3.026 3.024 3.028 0.018 6 0 "[ . 1 . 2]" 1
1030 1 45 LEU HB3 1 54 VAL HA . . 5.180 5.040 5.027 5.053 . 0 0 "[ . 1 . 2]" 1
1031 1 45 LEU HB3 1 54 VAL MG1 . . 4.960 4.976 4.968 4.984 0.024 4 0 "[ . 1 . 2]" 1
1032 1 45 LEU HB3 1 54 VAL MG2 . . 4.780 4.585 4.546 4.601 . 0 0 "[ . 1 . 2]" 1
1033 1 45 LEU MD1 1 47 GLU HG2 . . 4.090 4.106 4.090 4.129 0.039 16 0 "[ . 1 . 2]" 1
1034 1 45 LEU MD1 1 47 GLU HG3 . . 4.060 3.925 3.906 3.941 . 0 0 "[ . 1 . 2]" 1
1035 1 45 LEU MD1 1 52 GLU QB . . 3.720 3.718 3.693 3.727 0.007 6 0 "[ . 1 . 2]" 1
1036 1 45 LEU MD1 1 54 VAL HA . . 4.130 4.101 4.071 4.131 0.001 19 0 "[ . 1 . 2]" 1
1037 1 45 LEU MD1 1 54 VAL MG1 . . 3.780 3.657 3.620 3.697 . 0 0 "[ . 1 . 2]" 1
1038 1 45 LEU MD1 1 54 VAL MG2 . . 2.750 2.277 2.252 2.294 . 0 0 "[ . 1 . 2]" 1
1039 1 45 LEU MD2 1 46 LYS HA . . 3.970 3.202 3.184 3.214 . 0 0 "[ . 1 . 2]" 1
1040 1 45 LEU MD2 1 47 GLU H . . 4.230 4.111 4.088 4.152 . 0 0 "[ . 1 . 2]" 1
1041 1 45 LEU MD2 1 47 GLU HA . . 4.840 4.730 4.716 4.757 . 0 0 "[ . 1 . 2]" 1
1042 1 45 LEU MD2 1 47 GLU HB2 . . 4.110 4.115 4.113 4.117 0.007 19 0 "[ . 1 . 2]" 1
1043 1 45 LEU MD2 1 47 GLU HB3 . . 4.730 4.767 4.761 4.772 0.042 6 0 "[ . 1 . 2]" 1
1044 1 45 LEU MD2 1 47 GLU HG2 . . 4.120 3.219 3.203 3.233 . 0 0 "[ . 1 . 2]" 1
1045 1 45 LEU MD2 1 47 GLU HG3 . . 3.290 2.220 2.214 2.228 . 0 0 "[ . 1 . 2]" 1
1046 1 45 LEU HG 1 46 LYS H . . 3.440 2.345 2.334 2.399 . 0 0 "[ . 1 . 2]" 1
1047 1 45 LEU HG 1 46 LYS HA . . 4.150 4.212 4.208 4.221 0.071 8 0 "[ . 1 . 2]" 1
1048 1 45 LEU HG 1 47 GLU HG2 . . 3.820 4.121 4.095 4.143 0.323 6 0 "[ . 1 . 2]" 1
1049 1 45 LEU HG 1 47 GLU HG3 . . 3.740 3.541 3.533 3.547 . 0 0 "[ . 1 . 2]" 1
1050 1 45 LEU HG 1 53 ILE H . . 3.630 3.646 3.641 3.653 0.023 8 0 "[ . 1 . 2]" 1
1051 1 45 LEU HG 1 54 VAL HA . . 4.350 4.190 4.172 4.206 . 0 0 "[ . 1 . 2]" 1
1052 1 45 LEU HG 1 54 VAL MG1 . . 5.030 4.893 4.877 4.921 . 0 0 "[ . 1 . 2]" 1
1053 1 45 LEU HG 1 54 VAL MG2 . . 3.410 3.284 3.262 3.303 . 0 0 "[ . 1 . 2]" 1
1054 1 46 LYS H 1 46 LYS HB2 . . 3.460 2.721 2.640 2.759 . 0 0 "[ . 1 . 2]" 1
1055 1 46 LYS H 1 46 LYS QG . . 4.110 4.099 4.029 4.221 0.111 11 0 "[ . 1 . 2]" 1
1056 1 46 LYS H 1 47 GLU H . . 4.490 4.432 4.403 4.445 . 0 0 "[ . 1 . 2]" 1
1057 1 46 LYS H 1 52 GLU QB . . 5.160 5.102 5.075 5.126 . 0 0 "[ . 1 . 2]" 1
1058 1 46 LYS H 1 53 ILE H . . 2.840 2.869 2.864 2.880 0.040 11 0 "[ . 1 . 2]" 1
1059 1 46 LYS H 1 53 ILE HB . . 2.990 3.013 3.004 3.016 0.026 3 0 "[ . 1 . 2]" 1
1060 1 46 LYS H 1 53 ILE MG . . 3.980 3.975 3.965 3.980 . 0 0 "[ . 1 . 2]" 1
1061 1 46 LYS H 1 54 VAL H . . 4.920 4.886 4.868 4.903 . 0 0 "[ . 1 . 2]" 1
1062 1 46 LYS HA 1 47 GLU H . . 2.830 2.253 2.244 2.262 . 0 0 "[ . 1 . 2]" 1
1063 1 46 LYS HA 1 47 GLU HA . . 4.480 4.485 4.483 4.488 0.008 5 0 "[ . 1 . 2]" 1
1064 1 46 LYS HA 1 47 GLU HB2 . . 4.670 4.557 4.533 4.587 . 0 0 "[ . 1 . 2]" 1
1065 1 46 LYS HA 1 47 GLU HG2 . . 4.950 5.034 5.008 5.065 0.115 6 0 "[ . 1 . 2]" 1
1066 1 46 LYS HA 1 47 GLU HG3 . . 4.450 3.772 3.738 3.801 . 0 0 "[ . 1 . 2]" 1
1067 1 46 LYS HA 1 53 ILE HB . . 4.690 4.604 4.564 4.667 . 0 0 "[ . 1 . 2]" 1
1068 1 46 LYS HB2 1 47 GLU H . . 4.200 4.270 4.256 4.288 0.088 11 0 "[ . 1 . 2]" 1
1069 1 46 LYS HB2 1 53 ILE H . . 4.330 4.384 4.361 4.416 0.086 20 0 "[ . 1 . 2]" 1
1070 1 46 LYS HB2 1 53 ILE HB . . 3.090 2.711 2.633 2.784 . 0 0 "[ . 1 . 2]" 1
1071 1 46 LYS HB2 1 53 ILE MD . . 3.580 3.505 3.477 3.546 . 0 0 "[ . 1 . 2]" 1
1072 1 46 LYS HB2 1 53 ILE MG . . 3.640 3.649 3.593 3.682 0.042 20 0 "[ . 1 . 2]" 1
1073 1 46 LYS HB3 1 47 GLU H . . 3.390 3.428 3.401 3.452 0.062 20 0 "[ . 1 . 2]" 1
1074 1 46 LYS HB3 1 47 GLU HA . . 4.270 4.153 4.104 4.197 . 0 0 "[ . 1 . 2]" 1
1075 1 46 LYS HB3 1 52 GLU HA . . 5.130 4.987 4.905 5.080 . 0 0 "[ . 1 . 2]" 1
1076 1 46 LYS HB3 1 53 ILE HA . . 5.070 5.076 5.037 5.119 0.049 16 0 "[ . 1 . 2]" 1
1077 1 46 LYS HB3 1 53 ILE MD . . 3.320 2.080 2.070 2.102 . 0 0 "[ . 1 . 2]" 1
1078 1 46 LYS HB3 1 53 ILE HG13 . . 4.340 4.495 4.454 4.559 0.219 11 0 "[ . 1 . 2]" 1
1079 1 46 LYS HB3 1 53 ILE MG . . 3.890 3.705 3.676 3.748 . 0 0 "[ . 1 . 2]" 1
1080 1 46 LYS QG 1 47 GLU H . . 3.540 2.430 2.333 2.525 . 0 0 "[ . 1 . 2]" 1
1081 1 46 LYS QG 1 47 GLU HA . . 5.130 4.494 4.282 4.698 . 0 0 "[ . 1 . 2]" 1
1082 1 46 LYS QG 1 53 ILE HB . . 4.190 4.243 3.959 4.288 0.098 12 0 "[ . 1 . 2]" 1
1083 1 46 LYS QG 1 53 ILE MD . . 3.660 3.423 3.183 3.654 . 0 0 "[ . 1 . 2]" 1
1084 1 47 GLU H 1 47 GLU HB2 . . 3.220 2.862 2.851 2.888 . 0 0 "[ . 1 . 2]" 1
1085 1 47 GLU HA 1 47 GLU HG2 . . 3.230 2.593 2.577 2.605 . 0 0 "[ . 1 . 2]" 1
1086 1 47 GLU HA 1 47 GLU HG3 . . 3.220 3.186 3.177 3.199 . 0 0 "[ . 1 . 2]" 1
1087 1 47 GLU HA 1 48 GLU H . . 2.460 2.145 2.128 2.157 . 0 0 "[ . 1 . 2]" 1
1088 1 47 GLU HA 1 51 GLU HA . . 5.460 5.502 5.496 5.508 0.048 19 0 "[ . 1 . 2]" 1
1089 1 47 GLU HA 1 52 GLU HA . . 2.780 2.557 2.507 2.605 . 0 0 "[ . 1 . 2]" 1
1090 1 47 GLU HA 1 53 ILE H . . 3.540 3.440 3.421 3.452 . 0 0 "[ . 1 . 2]" 1
1091 1 47 GLU HA 1 53 ILE MD . . 4.120 2.877 2.851 2.894 . 0 0 "[ . 1 . 2]" 1
1092 1 47 GLU HB2 1 47 GLU HG3 . . 2.700 2.469 2.464 2.477 . 0 0 "[ . 1 . 2]" 1
1093 1 47 GLU HB2 1 53 ILE MD . . 5.310 5.332 5.316 5.343 0.033 15 0 "[ . 1 . 2]" 1
1094 1 47 GLU HB3 1 47 GLU HG2 . . 2.760 2.487 2.483 2.491 . 0 0 "[ . 1 . 2]" 1
1095 1 47 GLU HB3 1 52 GLU HA . . 4.170 4.056 4.008 4.111 . 0 0 "[ . 1 . 2]" 1
1096 1 47 GLU HB3 1 53 ILE MD . . 5.300 4.997 4.954 5.022 . 0 0 "[ . 1 . 2]" 1
1097 1 47 GLU HG2 1 52 GLU HA . . 4.160 2.633 2.593 2.658 . 0 0 "[ . 1 . 2]" 1
1098 1 47 GLU HG3 1 52 GLU HA . . 4.070 3.969 3.944 3.984 . 0 0 "[ . 1 . 2]" 1
1099 1 48 GLU H 1 49 ASP H . . 4.240 4.292 4.289 4.296 0.056 14 0 "[ . 1 . 2]" 1
1100 1 48 GLU H 1 50 GLY H . . 3.880 3.866 3.846 3.889 0.009 6 0 "[ . 1 . 2]" 1
1101 1 48 GLU H 1 51 GLU H . . 3.560 3.531 3.510 3.562 0.002 8 0 "[ . 1 . 2]" 1
1102 1 48 GLU H 1 51 GLU HB3 . . 3.010 2.959 2.917 3.015 0.005 6 0 "[ . 1 . 2]" 1
1103 1 48 GLU H 1 53 ILE H . . 4.830 4.862 4.837 4.889 0.059 8 0 "[ . 1 . 2]" 1
1104 1 48 GLU H 1 53 ILE MD . . 4.060 2.936 2.872 2.973 . 0 0 "[ . 1 . 2]" 1
1105 1 48 GLU HA 1 48 GLU HB3 . . 2.980 2.447 2.396 2.541 . 0 0 "[ . 1 . 2]" 1
1106 1 48 GLU HA 1 49 ASP H . . 2.660 2.119 2.100 2.131 . 0 0 "[ . 1 . 2]" 1
1107 1 48 GLU HA 1 50 GLY H . . 4.070 4.082 4.068 4.090 0.020 4 0 "[ . 1 . 2]" 1
1108 1 48 GLU HA 1 51 GLU H . . 4.860 4.836 4.810 4.845 . 0 0 "[ . 1 . 2]" 1
1109 1 48 GLU HB2 1 49 ASP H . . 4.500 4.266 3.344 4.404 . 0 0 "[ . 1 . 2]" 1
1110 1 48 GLU HB2 1 49 ASP QB . . 5.470 4.177 3.327 4.434 . 0 0 "[ . 1 . 2]" 1
1111 1 48 GLU HB2 1 53 ILE MD . . 3.910 3.364 3.236 4.674 0.764 6 1 "[ .+ 1 . 2]" 1
1112 1 48 GLU HB3 1 49 ASP H . . 3.620 3.413 3.357 4.252 0.632 6 1 "[ .+ 1 . 2]" 1
1113 1 48 GLU HB3 1 49 ASP QB . . 4.020 3.407 3.264 4.784 0.764 6 1 "[ .+ 1 . 2]" 1
1114 1 49 ASP H 1 49 ASP HA . . 2.810 2.288 2.281 2.293 . 0 0 "[ . 1 . 2]" 1
1115 1 49 ASP H 1 49 ASP QB . . 3.820 2.624 2.601 2.637 . 0 0 "[ . 1 . 2]" 1
1116 1 49 ASP H 1 50 GLY H . . 3.700 3.163 3.155 3.172 . 0 0 "[ . 1 . 2]" 1
1117 1 49 ASP H 1 51 GLU H . . 4.580 4.547 4.539 4.552 . 0 0 "[ . 1 . 2]" 1
1118 1 49 ASP HA 1 50 GLY H . . 2.950 3.007 3.005 3.012 0.062 6 0 "[ . 1 . 2]" 1
1119 1 49 ASP HA 1 51 GLU H . . 4.630 4.637 4.631 4.642 0.012 14 0 "[ . 1 . 2]" 1
1120 1 49 ASP QB 1 50 GLY H . . 4.210 3.750 3.735 3.754 . 0 0 "[ . 1 . 2]" 1
1121 1 49 ASP QB 1 51 GLU H . . 4.400 3.723 3.709 3.733 . 0 0 "[ . 1 . 2]" 1
1122 1 49 ASP QB 1 51 GLU HB2 . . 5.390 4.851 4.837 4.861 . 0 0 "[ . 1 . 2]" 1
1123 1 50 GLY H 1 50 GLY HA2 . . 2.750 2.514 2.509 2.519 . 0 0 "[ . 1 . 2]" 1
1124 1 50 GLY H 1 51 GLU H . . 2.930 2.420 2.408 2.433 . 0 0 "[ . 1 . 2]" 1
1125 1 50 GLY H 1 51 GLU HB3 . . 4.920 4.389 4.366 4.413 . 0 0 "[ . 1 . 2]" 1
1126 1 50 GLY HA2 1 51 GLU HA . . 4.870 4.817 4.803 4.827 . 0 0 "[ . 1 . 2]" 1
1127 1 50 GLY HA2 1 76 ILE MD . . 5.090 4.748 4.692 4.796 . 0 0 "[ . 1 . 2]" 1
1128 1 50 GLY HA3 1 51 GLU H . . 3.250 3.115 3.110 3.124 . 0 0 "[ . 1 . 2]" 1
1129 1 50 GLY HA3 1 51 GLU HA . . 4.770 4.526 4.515 4.532 . 0 0 "[ . 1 . 2]" 1
1130 1 50 GLY HA3 1 76 ILE H . . 4.740 4.329 4.234 4.383 . 0 0 "[ . 1 . 2]" 1
1131 1 50 GLY HA3 1 76 ILE HB . . 4.560 3.732 3.669 3.780 . 0 0 "[ . 1 . 2]" 1
1132 1 50 GLY HA3 1 76 ILE MD . . 4.430 4.413 4.337 4.438 0.008 19 0 "[ . 1 . 2]" 1
1133 1 50 GLY HA3 1 76 ILE HG13 . . 4.710 4.337 4.333 4.342 . 0 0 "[ . 1 . 2]" 1
1134 1 51 GLU H 1 51 GLU HB2 . . 2.760 2.704 2.697 2.713 . 0 0 "[ . 1 . 2]" 1
1135 1 51 GLU H 1 52 GLU H . . 5.000 4.578 4.569 4.586 . 0 0 "[ . 1 . 2]" 1
1136 1 51 GLU H 1 52 GLU HA . . 5.410 5.424 5.416 5.427 0.017 14 0 "[ . 1 . 2]" 1
1137 1 51 GLU H 1 53 ILE MD . . 4.890 4.855 4.769 4.895 0.005 8 0 "[ . 1 . 2]" 1
1138 1 51 GLU HA 1 51 GLU HG2 . . 3.780 3.195 3.176 3.209 . 0 0 "[ . 1 . 2]" 1
1139 1 51 GLU HA 1 51 GLU HG3 . . 3.630 2.750 2.716 2.764 . 0 0 "[ . 1 . 2]" 1
1140 1 51 GLU HA 1 52 GLU HA . . 4.550 4.500 4.492 4.507 . 0 0 "[ . 1 . 2]" 1
1141 1 51 GLU HA 1 53 ILE MD . . 5.040 4.559 4.461 4.600 . 0 0 "[ . 1 . 2]" 1
1142 1 51 GLU HA 1 74 PHE QD . . 4.950 3.776 3.734 3.804 . 0 0 "[ . 1 . 2]" 1
1143 1 51 GLU HA 1 75 SER H . . 4.770 4.679 4.650 4.692 . 0 0 "[ . 1 . 2]" 1
1144 1 51 GLU HA 1 75 SER HA . . 3.120 2.228 2.208 2.248 . 0 0 "[ . 1 . 2]" 1
1145 1 51 GLU HA 1 75 SER HB2 . . 5.060 5.035 4.976 5.067 0.007 6 0 "[ . 1 . 2]" 1
1146 1 51 GLU HA 1 75 SER HB3 . . 4.800 4.765 4.715 4.802 0.002 19 0 "[ . 1 . 2]" 1
1147 1 51 GLU HB2 1 51 GLU HG3 . . 2.810 2.468 2.453 2.481 . 0 0 "[ . 1 . 2]" 1
1148 1 51 GLU HB2 1 75 SER HA . . 4.280 2.832 2.761 2.931 . 0 0 "[ . 1 . 2]" 1
1149 1 51 GLU HB2 1 75 SER HB2 . . 4.590 4.671 4.659 4.679 0.089 8 0 "[ . 1 . 2]" 1
1150 1 51 GLU HB2 1 75 SER HB3 . . 4.090 4.060 4.033 4.102 0.012 19 0 "[ . 1 . 2]" 1
1151 1 51 GLU HB3 1 53 ILE MD . . 3.550 3.165 3.094 3.198 . 0 0 "[ . 1 . 2]" 1
1152 1 51 GLU HB3 1 75 SER HA . . 4.990 4.303 4.245 4.380 . 0 0 "[ . 1 . 2]" 1
1153 1 51 GLU HG2 1 53 ILE HA . . 4.830 4.580 4.567 4.593 . 0 0 "[ . 1 . 2]" 1
1154 1 51 GLU HG2 1 53 ILE MD . . 3.370 2.133 2.103 2.157 . 0 0 "[ . 1 . 2]" 1
1155 1 51 GLU HG2 1 53 ILE HG12 . . 4.110 3.715 3.676 3.764 . 0 0 "[ . 1 . 2]" 1
1156 1 51 GLU HG2 1 53 ILE HG13 . . 3.610 2.595 2.556 2.650 . 0 0 "[ . 1 . 2]" 1
1157 1 51 GLU HG2 1 73 THR HA . . 5.020 4.780 4.728 4.826 . 0 0 "[ . 1 . 2]" 1
1158 1 51 GLU HG2 1 73 THR HB . . 4.290 4.073 4.023 4.122 . 0 0 "[ . 1 . 2]" 1
1159 1 51 GLU HG2 1 75 SER HA . . 4.350 4.257 4.210 4.333 . 0 0 "[ . 1 . 2]" 1
1160 1 51 GLU HG3 1 53 ILE MD . . 3.830 3.536 3.502 3.573 . 0 0 "[ . 1 . 2]" 1
1161 1 51 GLU HG3 1 53 ILE HG12 . . 5.060 4.849 4.821 4.943 . 0 0 "[ . 1 . 2]" 1
1162 1 51 GLU HG3 1 53 ILE HG13 . . 3.850 3.664 3.633 3.757 . 0 0 "[ . 1 . 2]" 1
1163 1 51 GLU HG3 1 73 THR HA . . 5.120 4.942 4.891 4.989 . 0 0 "[ . 1 . 2]" 1
1164 1 51 GLU HG3 1 75 SER HA . . 3.840 2.850 2.790 2.937 . 0 0 "[ . 1 . 2]" 1
1165 1 52 GLU H 1 52 GLU QB . . 2.760 2.590 2.574 2.603 . 0 0 "[ . 1 . 2]" 1
1166 1 52 GLU H 1 53 ILE MD . . 4.610 3.914 3.796 3.958 . 0 0 "[ . 1 . 2]" 1
1167 1 52 GLU H 1 53 ILE HG13 . . 4.860 4.310 4.285 4.362 . 0 0 "[ . 1 . 2]" 1
1168 1 52 GLU H 1 74 PHE H . . 3.790 3.146 3.136 3.154 . 0 0 "[ . 1 . 2]" 1
1169 1 52 GLU H 1 74 PHE HA . . 4.910 4.718 4.712 4.729 . 0 0 "[ . 1 . 2]" 1
1170 1 52 GLU H 1 74 PHE HB2 . . 4.790 4.824 4.814 4.834 0.044 6 0 "[ . 1 . 2]" 1
1171 1 52 GLU H 1 74 PHE QD . . 4.250 2.752 2.730 2.779 . 0 0 "[ . 1 . 2]" 1
1172 1 52 GLU H 1 75 SER H . . 5.230 4.858 4.850 4.869 . 0 0 "[ . 1 . 2]" 1
1173 1 52 GLU H 1 75 SER HA . . 3.840 3.667 3.651 3.677 . 0 0 "[ . 1 . 2]" 1
1174 1 52 GLU H 1 76 ILE H . . 5.270 5.304 5.289 5.311 0.041 14 0 "[ . 1 . 2]" 1
1175 1 52 GLU HA 1 52 GLU HG2 . . 3.610 2.538 2.508 2.570 . 0 0 "[ . 1 . 2]" 1
1176 1 52 GLU HA 1 52 GLU HG3 . . 3.610 3.169 3.148 3.187 . 0 0 "[ . 1 . 2]" 1
1177 1 52 GLU HA 1 53 ILE HB . . 4.880 4.719 4.693 4.743 . 0 0 "[ . 1 . 2]" 1
1178 1 52 GLU HA 1 53 ILE MD . . 4.650 2.916 2.826 2.958 . 0 0 "[ . 1 . 2]" 1
1179 1 52 GLU HA 1 74 PHE H . . 4.780 4.840 4.834 4.848 0.068 4 0 "[ . 1 . 2]" 1
1180 1 52 GLU HA 1 74 PHE QD . . 4.740 4.760 4.750 4.767 0.027 16 0 "[ . 1 . 2]" 1
1181 1 52 GLU QB 1 53 ILE H . . 3.320 3.189 3.179 3.204 . 0 0 "[ . 1 . 2]" 1
1182 1 52 GLU QB 1 54 VAL MG2 . . 4.380 3.635 3.579 3.676 . 0 0 "[ . 1 . 2]" 1
1183 1 52 GLU QB 1 72 TYR QE . . 4.490 4.173 4.109 4.228 . 0 0 "[ . 1 . 2]" 1
1184 1 52 GLU QB 1 74 PHE H . . 3.880 3.738 3.721 3.751 . 0 0 "[ . 1 . 2]" 1
1185 1 52 GLU QB 1 74 PHE HB2 . . 4.200 4.203 4.198 4.210 0.010 12 0 "[ . 1 . 2]" 1
1186 1 52 GLU QB 1 74 PHE HB3 . . 3.330 2.608 2.600 2.614 . 0 0 "[ . 1 . 2]" 1
1187 1 52 GLU QB 1 74 PHE QD . . 3.510 2.352 2.339 2.360 . 0 0 "[ . 1 . 2]" 1
1188 1 52 GLU QB 1 74 PHE QE . . 4.380 4.386 4.382 4.391 0.011 15 0 "[ . 1 . 2]" 1
1189 1 53 ILE H 1 53 ILE HB . . 3.130 2.738 2.705 2.766 . 0 0 "[ . 1 . 2]" 1
1190 1 53 ILE H 1 53 ILE MD . . 3.960 2.417 2.403 2.441 . 0 0 "[ . 1 . 2]" 1
1191 1 53 ILE H 1 53 ILE HG13 . . 3.770 3.500 3.493 3.520 . 0 0 "[ . 1 . 2]" 1
1192 1 53 ILE H 1 53 ILE MG . . 4.090 3.869 3.856 3.879 . 0 0 "[ . 1 . 2]" 1
1193 1 53 ILE H 1 54 VAL H . . 4.580 4.428 4.414 4.444 . 0 0 "[ . 1 . 2]" 1
1194 1 53 ILE H 1 54 VAL MG2 . . 4.460 4.054 4.038 4.070 . 0 0 "[ . 1 . 2]" 1
1195 1 53 ILE HA 1 53 ILE MD . . 3.830 3.578 3.544 3.607 . 0 0 "[ . 1 . 2]" 1
1196 1 53 ILE HA 1 53 ILE HG12 . . 3.760 3.577 3.568 3.601 . 0 0 "[ . 1 . 2]" 1
1197 1 53 ILE HA 1 53 ILE HG13 . . 3.010 2.507 2.488 2.526 . 0 0 "[ . 1 . 2]" 1
1198 1 53 ILE HA 1 53 ILE MG . . 3.060 2.225 2.209 2.243 . 0 0 "[ . 1 . 2]" 1
1199 1 53 ILE HA 1 54 VAL H . . 2.840 2.199 2.190 2.213 . 0 0 "[ . 1 . 2]" 1
1200 1 53 ILE HA 1 72 TYR H . . 5.120 4.910 4.888 4.930 . 0 0 "[ . 1 . 2]" 1
1201 1 53 ILE HA 1 72 TYR QD . . 4.690 4.683 4.652 4.706 0.016 12 0 "[ . 1 . 2]" 1
1202 1 53 ILE HA 1 73 THR HA . . 3.080 2.200 2.192 2.213 . 0 0 "[ . 1 . 2]" 1
1203 1 53 ILE HA 1 73 THR HB . . 3.910 3.479 3.465 3.500 . 0 0 "[ . 1 . 2]" 1
1204 1 53 ILE HA 1 73 THR MG . . 3.760 3.508 3.497 3.514 . 0 0 "[ . 1 . 2]" 1
1205 1 53 ILE HA 1 74 PHE H . . 3.740 3.231 3.217 3.251 . 0 0 "[ . 1 . 2]" 1
1206 1 53 ILE HB 1 53 ILE MD . . 3.110 2.341 2.323 2.369 . 0 0 "[ . 1 . 2]" 1
1207 1 53 ILE HB 1 54 VAL H . . 4.160 3.986 3.969 4.010 . 0 0 "[ . 1 . 2]" 1
1208 1 53 ILE HB 1 55 THR MG . . 4.030 4.082 4.073 4.090 0.060 13 0 "[ . 1 . 2]" 1
1209 1 53 ILE HB 1 73 THR HA . . 4.880 4.925 4.914 4.943 0.063 19 0 "[ . 1 . 2]" 1
1210 1 53 ILE HB 1 73 THR HB . . 5.380 5.046 5.028 5.076 . 0 0 "[ . 1 . 2]" 1
1211 1 53 ILE MD 1 53 ILE MG . . 3.180 3.151 3.136 3.184 0.004 19 0 "[ . 1 . 2]" 1
1212 1 53 ILE MD 1 54 VAL H . . 5.150 5.128 5.114 5.148 . 0 0 "[ . 1 . 2]" 1
1213 1 53 ILE MD 1 73 THR HA . . 4.600 4.610 4.581 4.623 0.023 6 0 "[ . 1 . 2]" 1
1214 1 53 ILE MD 1 73 THR HB . . 4.360 4.070 4.040 4.108 . 0 0 "[ . 1 . 2]" 1
1215 1 53 ILE MD 1 74 PHE H . . 4.560 4.476 4.407 4.508 . 0 0 "[ . 1 . 2]" 1
1216 1 53 ILE HG12 1 53 ILE MG . . 3.120 2.142 2.134 2.150 . 0 0 "[ . 1 . 2]" 1
1217 1 53 ILE HG12 1 54 VAL H . . 5.100 5.057 5.043 5.089 . 0 0 "[ . 1 . 2]" 1
1218 1 53 ILE HG12 1 73 THR HA . . 4.160 4.280 4.252 4.328 0.168 19 0 "[ . 1 . 2]" 1
1219 1 53 ILE HG12 1 73 THR HB . . 4.210 3.193 3.161 3.261 . 0 0 "[ . 1 . 2]" 1
1220 1 53 ILE HG12 1 73 THR MG . . 3.730 3.443 3.367 3.509 . 0 0 "[ . 1 . 2]" 1
1221 1 53 ILE HG12 1 74 PHE H . . 5.190 5.055 5.028 5.087 . 0 0 "[ . 1 . 2]" 1
1222 1 53 ILE HG13 1 53 ILE MG . . 3.270 2.698 2.662 2.715 . 0 0 "[ . 1 . 2]" 1
1223 1 53 ILE HG13 1 73 THR HA . . 3.360 3.073 3.066 3.083 . 0 0 "[ . 1 . 2]" 1
1224 1 53 ILE HG13 1 73 THR HB . . 4.240 2.519 2.495 2.561 . 0 0 "[ . 1 . 2]" 1
1225 1 53 ILE MG 1 54 VAL H . . 3.320 2.357 2.348 2.370 . 0 0 "[ . 1 . 2]" 1
1226 1 53 ILE MG 1 54 VAL HA . . 3.600 3.618 3.615 3.622 0.022 19 0 "[ . 1 . 2]" 1
1227 1 53 ILE MG 1 54 VAL HB . . 4.690 4.575 4.562 4.584 . 0 0 "[ . 1 . 2]" 1
1228 1 53 ILE MG 1 55 THR H . . 3.910 3.860 3.840 3.880 . 0 0 "[ . 1 . 2]" 1
1229 1 53 ILE MG 1 55 THR HA . . 4.540 4.495 4.478 4.508 . 0 0 "[ . 1 . 2]" 1
1230 1 53 ILE MG 1 55 THR HB . . 4.820 4.786 4.772 4.799 . 0 0 "[ . 1 . 2]" 1
1231 1 53 ILE MG 1 55 THR MG . . 2.710 2.106 2.097 2.115 . 0 0 "[ . 1 . 2]" 1
1232 1 53 ILE MG 1 71 GLU HG2 . . 4.720 4.241 4.203 4.262 . 0 0 "[ . 1 . 2]" 1
1233 1 53 ILE MG 1 71 GLU HG3 . . 3.450 3.169 3.151 3.184 . 0 0 "[ . 1 . 2]" 1
1234 1 53 ILE MG 1 72 TYR H . . 4.360 3.792 3.758 3.817 . 0 0 "[ . 1 . 2]" 1
1235 1 53 ILE MG 1 73 THR H . . 5.160 4.617 4.598 4.643 . 0 0 "[ . 1 . 2]" 1
1236 1 53 ILE MG 1 73 THR HA . . 3.630 2.909 2.896 2.934 . 0 0 "[ . 1 . 2]" 1
1237 1 53 ILE MG 1 73 THR HB . . 3.800 3.012 2.992 3.029 . 0 0 "[ . 1 . 2]" 1
1238 1 53 ILE MG 1 74 PHE H . . 4.400 4.462 4.454 4.469 0.069 20 0 "[ . 1 . 2]" 1
1239 1 54 VAL H 1 54 VAL MG1 . . 3.980 3.920 3.910 3.928 . 0 0 "[ . 1 . 2]" 1
1240 1 54 VAL H 1 55 THR H . . 4.400 4.175 4.170 4.180 . 0 0 "[ . 1 . 2]" 1
1241 1 54 VAL H 1 55 THR HA . . 5.300 4.804 4.792 4.813 . 0 0 "[ . 1 . 2]" 1
1242 1 54 VAL H 1 71 GLU HG3 . . 4.610 4.298 4.292 4.303 . 0 0 "[ . 1 . 2]" 1
1243 1 54 VAL H 1 72 TYR H . . 3.820 3.127 3.113 3.141 . 0 0 "[ . 1 . 2]" 1
1244 1 54 VAL H 1 72 TYR QD . . 3.720 3.656 3.637 3.673 . 0 0 "[ . 1 . 2]" 1
1245 1 54 VAL H 1 72 TYR QE . . 5.190 5.206 5.196 5.213 0.023 10 0 "[ . 1 . 2]" 1
1246 1 54 VAL H 1 73 THR H . . 5.300 4.888 4.882 4.896 . 0 0 "[ . 1 . 2]" 1
1247 1 54 VAL H 1 73 THR HB . . 5.030 4.867 4.858 4.882 . 0 0 "[ . 1 . 2]" 1
1248 1 54 VAL H 1 73 THR MG . . 3.800 3.632 3.624 3.641 . 0 0 "[ . 1 . 2]" 1
1249 1 54 VAL H 1 74 PHE H . . 4.880 4.909 4.900 4.921 0.041 6 0 "[ . 1 . 2]" 1
1250 1 54 VAL HA 1 54 VAL MG1 . . 3.220 2.384 2.343 2.403 . 0 0 "[ . 1 . 2]" 1
1251 1 54 VAL HA 1 54 VAL MG2 . . 3.100 2.450 2.434 2.456 . 0 0 "[ . 1 . 2]" 1
1252 1 54 VAL HA 1 55 THR HA . . 4.570 4.449 4.444 4.456 . 0 0 "[ . 1 . 2]" 1
1253 1 54 VAL HA 1 55 THR MG . . 3.900 3.809 3.771 3.831 . 0 0 "[ . 1 . 2]" 1
1254 1 54 VAL HA 1 72 TYR QD . . 4.880 4.881 4.860 4.890 0.010 9 0 "[ . 1 . 2]" 1
1255 1 54 VAL HB 1 55 THR HA . . 5.470 4.765 4.749 4.781 . 0 0 "[ . 1 . 2]" 1
1256 1 54 VAL HB 1 70 HIS HD2 . . 4.860 4.838 4.789 4.883 0.023 4 0 "[ . 1 . 2]" 1
1257 1 54 VAL HB 1 72 TYR HA . . 5.240 5.083 5.068 5.096 . 0 0 "[ . 1 . 2]" 1
1258 1 54 VAL HB 1 72 TYR HB2 . . 4.170 4.193 4.181 4.202 0.032 14 0 "[ . 1 . 2]" 1
1259 1 54 VAL HB 1 72 TYR HB3 . . 3.610 2.455 2.442 2.465 . 0 0 "[ . 1 . 2]" 1
1260 1 54 VAL HB 1 72 TYR QD . . 3.530 2.164 2.153 2.173 . 0 0 "[ . 1 . 2]" 1
1261 1 54 VAL HB 1 72 TYR QE . . 4.330 4.340 4.332 4.350 0.020 17 0 "[ . 1 . 2]" 1
1262 1 54 VAL MG1 1 55 THR H . . 3.010 2.978 2.947 3.008 . 0 0 "[ . 1 . 2]" 1
1263 1 54 VAL MG1 1 55 THR HA . . 4.040 3.726 3.703 3.745 . 0 0 "[ . 1 . 2]" 1
1264 1 54 VAL MG1 1 56 TYR H . . 4.420 4.454 4.443 4.460 0.040 2 0 "[ . 1 . 2]" 1
1265 1 54 VAL MG1 1 56 TYR HB3 . . 4.620 3.744 3.692 3.792 . 0 0 "[ . 1 . 2]" 1
1266 1 54 VAL MG1 1 56 TYR QD . . 3.140 2.252 2.206 2.336 . 0 0 "[ . 1 . 2]" 1
1267 1 54 VAL MG1 1 70 HIS HD2 . . 4.480 4.363 4.322 4.403 . 0 0 "[ . 1 . 2]" 1
1268 1 54 VAL MG1 1 72 TYR H . . 4.140 4.166 4.158 4.174 0.034 4 0 "[ . 1 . 2]" 1
1269 1 54 VAL MG1 1 72 TYR HB2 . . 5.150 4.914 4.883 4.946 . 0 0 "[ . 1 . 2]" 1
1270 1 54 VAL MG1 1 72 TYR HB3 . . 3.760 3.614 3.583 3.640 . 0 0 "[ . 1 . 2]" 1
1271 1 54 VAL MG1 1 72 TYR QD . . 3.420 3.446 3.434 3.465 0.045 4 0 "[ . 1 . 2]" 1
1272 1 54 VAL MG2 1 72 TYR HB2 . . 5.120 5.130 5.116 5.141 0.021 4 0 "[ . 1 . 2]" 1
1273 1 54 VAL MG2 1 72 TYR HB3 . . 3.930 3.809 3.796 3.818 . 0 0 "[ . 1 . 2]" 1
1274 1 54 VAL MG2 1 72 TYR QD . . 3.200 2.361 2.339 2.380 . 0 0 "[ . 1 . 2]" 1
1275 1 54 VAL MG2 1 72 TYR QE . . 3.630 3.029 3.001 3.056 . 0 0 "[ . 1 . 2]" 1
1276 1 54 VAL MG2 1 73 THR HA . . 4.590 4.618 4.611 4.627 0.037 6 0 "[ . 1 . 2]" 1
1277 1 55 THR H 1 55 THR HB . . 3.890 3.895 3.890 3.906 0.016 14 0 "[ . 1 . 2]" 1
1278 1 55 THR H 1 55 THR MG . . 3.040 2.893 2.860 2.907 . 0 0 "[ . 1 . 2]" 1
1279 1 55 THR H 1 56 TYR QD . . 4.910 4.264 4.077 4.432 . 0 0 "[ . 1 . 2]" 1
1280 1 55 THR H 1 72 TYR H . . 5.460 4.954 4.946 4.964 . 0 0 "[ . 1 . 2]" 1
1281 1 55 THR HA 1 55 THR HB . . 2.900 2.364 2.353 2.373 . 0 0 "[ . 1 . 2]" 1
1282 1 55 THR HA 1 55 THR MG . . 2.770 2.351 2.341 2.362 . 0 0 "[ . 1 . 2]" 1
1283 1 55 THR HA 1 56 TYR H . . 2.750 2.189 2.178 2.203 . 0 0 "[ . 1 . 2]" 1
1284 1 55 THR HA 1 56 TYR HA . . 4.790 4.466 4.451 4.490 . 0 0 "[ . 1 . 2]" 1
1285 1 55 THR HA 1 70 HIS H . . 5.060 5.032 4.964 5.070 0.010 7 0 "[ . 1 . 2]" 1
1286 1 55 THR HA 1 70 HIS HB3 . . 5.010 4.391 4.340 4.437 . 0 0 "[ . 1 . 2]" 1
1287 1 55 THR HA 1 70 HIS HD2 . . 4.250 4.232 4.191 4.260 0.010 13 0 "[ . 1 . 2]" 1
1288 1 55 THR HA 1 71 GLU H . . 5.020 4.904 4.884 4.925 . 0 0 "[ . 1 . 2]" 1
1289 1 55 THR HA 1 71 GLU HA . . 2.890 2.398 2.378 2.410 . 0 0 "[ . 1 . 2]" 1
1290 1 55 THR HA 1 71 GLU QB . . 3.780 3.717 3.694 3.747 . 0 0 "[ . 1 . 2]" 1
1291 1 55 THR HA 1 71 GLU HG3 . . 4.490 4.126 4.121 4.133 . 0 0 "[ . 1 . 2]" 1
1292 1 55 THR HA 1 72 TYR H . . 3.830 3.510 3.495 3.542 . 0 0 "[ . 1 . 2]" 1
1293 1 55 THR HB 1 56 TYR H . . 3.620 3.107 3.085 3.168 . 0 0 "[ . 1 . 2]" 1
1294 1 55 THR HB 1 71 GLU HA . . 3.800 3.829 3.817 3.842 0.042 20 0 "[ . 1 . 2]" 1
1295 1 55 THR HB 1 71 GLU QB . . 3.760 3.700 3.673 3.739 . 0 0 "[ . 1 . 2]" 1
1296 1 55 THR HB 1 72 TYR H . . 5.400 5.326 5.306 5.342 . 0 0 "[ . 1 . 2]" 1
1297 1 55 THR MG 1 56 TYR H . . 4.260 4.011 3.995 4.053 . 0 0 "[ . 1 . 2]" 1
1298 1 55 THR MG 1 70 HIS HD2 . . 5.200 5.220 5.212 5.226 0.026 19 0 "[ . 1 . 2]" 1
1299 1 55 THR MG 1 71 GLU H . . 5.330 5.058 5.011 5.094 . 0 0 "[ . 1 . 2]" 1
1300 1 55 THR MG 1 71 GLU HA . . 2.860 2.549 2.506 2.585 . 0 0 "[ . 1 . 2]" 1
1301 1 55 THR MG 1 71 GLU QB . . 3.290 2.741 2.702 2.789 . 0 0 "[ . 1 . 2]" 1
1302 1 55 THR MG 1 71 GLU HG2 . . 3.810 3.816 3.780 3.858 0.048 11 0 "[ . 1 . 2]" 1
1303 1 55 THR MG 1 71 GLU HG3 . . 3.190 2.284 2.254 2.319 . 0 0 "[ . 1 . 2]" 1
1304 1 55 THR MG 1 72 TYR H . . 3.710 3.250 3.205 3.280 . 0 0 "[ . 1 . 2]" 1
1305 1 55 THR MG 1 73 THR MG . . 3.580 3.618 3.609 3.626 0.046 11 0 "[ . 1 . 2]" 1
1306 1 56 TYR H 1 56 TYR HB3 . . 3.880 3.427 3.387 3.448 . 0 0 "[ . 1 . 2]" 1
1307 1 56 TYR H 1 70 HIS H . . 3.680 3.263 3.197 3.308 . 0 0 "[ . 1 . 2]" 1
1308 1 56 TYR H 1 70 HIS HB3 . . 3.490 2.951 2.876 3.026 . 0 0 "[ . 1 . 2]" 1
1309 1 56 TYR H 1 70 HIS HD2 . . 4.510 4.335 4.252 4.386 . 0 0 "[ . 1 . 2]" 1
1310 1 56 TYR H 1 71 GLU H . . 5.330 4.940 4.901 4.971 . 0 0 "[ . 1 . 2]" 1
1311 1 56 TYR H 1 71 GLU HA . . 4.030 3.636 3.609 3.672 . 0 0 "[ . 1 . 2]" 1
1312 1 56 TYR H 1 72 TYR H . . 5.170 5.164 5.135 5.183 0.013 6 0 "[ . 1 . 2]" 1
1313 1 56 TYR HA 1 56 TYR QD . . 4.090 3.784 3.764 3.800 . 0 0 "[ . 1 . 2]" 1
1314 1 56 TYR HA 1 57 ASP H . . 2.790 2.691 2.671 2.712 . 0 0 "[ . 1 . 2]" 1
1315 1 56 TYR HA 1 57 ASP HA . . 5.200 4.607 4.597 4.614 . 0 0 "[ . 1 . 2]" 1
1316 1 56 TYR HA 1 57 ASP HB2 . . 5.480 4.465 4.346 4.669 . 0 0 "[ . 1 . 2]" 1
1317 1 56 TYR HB2 1 57 ASP H . . 2.940 1.955 1.932 1.976 . 0 0 "[ . 1 . 2]" 1
1318 1 56 TYR HB2 1 57 ASP HA . . 4.620 4.650 4.639 4.663 0.043 13 0 "[ . 1 . 2]" 1
1319 1 56 TYR HB3 1 57 ASP H . . 3.840 3.478 3.446 3.502 . 0 0 "[ . 1 . 2]" 1
1320 1 56 TYR QD 1 70 HIS HD2 . . 4.230 3.884 3.706 4.036 . 0 0 "[ . 1 . 2]" 1
1321 1 57 ASP H 1 57 ASP HB2 . . 2.680 2.643 2.609 2.698 0.018 13 0 "[ . 1 . 2]" 1
1322 1 57 ASP H 1 57 ASP HB3 . . 3.920 3.758 3.722 3.809 . 0 0 "[ . 1 . 2]" 1
1323 1 57 ASP HA 1 58 HIS H . . 2.660 2.325 2.306 2.334 . 0 0 "[ . 1 . 2]" 1
1324 1 57 ASP HA 1 58 HIS HD2 . . 4.650 3.665 3.624 3.683 . 0 0 "[ . 1 . 2]" 1
1325 1 57 ASP HA 1 66 VAL MG1 . . 4.240 3.661 3.515 3.715 . 0 0 "[ . 1 . 2]" 1
1326 1 57 ASP HA 1 66 VAL MG2 . . 5.420 5.210 4.948 5.422 0.002 7 0 "[ . 1 . 2]" 1
1327 1 57 ASP HA 1 69 ARG HA . . 2.840 2.194 2.175 2.251 . 0 0 "[ . 1 . 2]" 1
1328 1 57 ASP HA 1 69 ARG HB2 . . 5.430 5.181 5.150 5.259 . 0 0 "[ . 1 . 2]" 1
1329 1 57 ASP HA 1 69 ARG HB3 . . 4.490 4.543 4.532 4.567 0.077 9 0 "[ . 1 . 2]" 1
1330 1 57 ASP HA 1 69 ARG QD . . 4.600 4.081 3.725 4.184 . 0 0 "[ . 1 . 2]" 1
1331 1 57 ASP HA 1 69 ARG QG . . 3.620 3.341 3.240 3.651 0.031 19 0 "[ . 1 . 2]" 1
1332 1 57 ASP HA 1 70 HIS H . . 3.360 2.948 2.925 2.989 . 0 0 "[ . 1 . 2]" 1
1333 1 57 ASP HB2 1 59 LEU QD . . 3.150 2.682 2.266 2.890 . 0 0 "[ . 1 . 2]" 1
1334 1 57 ASP HB2 1 59 LEU HG . . 5.380 4.884 4.420 5.092 . 0 0 "[ . 1 . 2]" 1
1335 1 57 ASP HB2 1 66 VAL MG1 . . 4.210 3.687 3.514 3.751 . 0 0 "[ . 1 . 2]" 1
1336 1 57 ASP HB2 1 66 VAL MG2 . . 4.170 3.931 3.598 4.176 0.006 7 0 "[ . 1 . 2]" 1
1337 1 57 ASP HB2 1 69 ARG HA . . 5.430 4.945 4.907 5.007 . 0 0 "[ . 1 . 2]" 1
1338 1 57 ASP HB3 1 59 LEU QD . . 3.350 2.814 2.603 2.902 . 0 0 "[ . 1 . 2]" 1
1339 1 57 ASP HB3 1 59 LEU HG . . 4.940 4.317 4.090 4.434 . 0 0 "[ . 1 . 2]" 1
1340 1 57 ASP HB3 1 66 VAL HA . . 4.980 4.301 4.093 4.404 . 0 0 "[ . 1 . 2]" 1
1341 1 57 ASP HB3 1 66 VAL MG1 . . 3.580 2.243 2.087 2.300 . 0 0 "[ . 1 . 2]" 1
1342 1 57 ASP HB3 1 66 VAL MG2 . . 3.970 3.133 2.883 3.357 . 0 0 "[ . 1 . 2]" 1
1343 1 57 ASP HB3 1 69 ARG HA . . 4.230 4.025 3.904 4.079 . 0 0 "[ . 1 . 2]" 1
1344 1 58 HIS H 1 58 HIS HB2 . . 3.190 2.677 2.655 2.702 . 0 0 "[ . 1 . 2]" 1
1345 1 58 HIS H 1 58 HIS HD2 . . 3.460 2.883 2.809 2.933 . 0 0 "[ . 1 . 2]" 1
1346 1 58 HIS H 1 59 LEU H . . 4.710 4.483 4.439 4.507 . 0 0 "[ . 1 . 2]" 1
1347 1 58 HIS H 1 66 VAL MG1 . . 3.750 2.853 2.783 2.945 . 0 0 "[ . 1 . 2]" 1
1348 1 58 HIS H 1 67 ILE H . . 5.000 4.343 4.281 4.429 . 0 0 "[ . 1 . 2]" 1
1349 1 58 HIS H 1 68 ALA H . . 3.300 2.898 2.873 2.919 . 0 0 "[ . 1 . 2]" 1
1350 1 58 HIS H 1 69 ARG HA . . 3.530 3.547 3.537 3.560 0.030 14 0 "[ . 1 . 2]" 1
1351 1 58 HIS H 1 70 HIS H . . 4.790 4.801 4.785 4.808 0.018 3 0 "[ . 1 . 2]" 1
1352 1 58 HIS HA 1 58 HIS HB3 . . 2.890 2.413 2.399 2.423 . 0 0 "[ . 1 . 2]" 1
1353 1 58 HIS HA 1 58 HIS HD2 . . 4.520 4.321 4.286 4.351 . 0 0 "[ . 1 . 2]" 1
1354 1 58 HIS HA 1 59 LEU H . . 2.660 2.254 2.229 2.271 . 0 0 "[ . 1 . 2]" 1
1355 1 58 HIS HA 1 59 LEU QD . . 5.260 3.012 2.939 3.091 . 0 0 "[ . 1 . 2]" 1
1356 1 58 HIS HA 1 67 ILE HB . . 4.750 4.594 4.533 4.624 . 0 0 "[ . 1 . 2]" 1
1357 1 58 HIS HA 1 67 ILE MD . . 5.240 4.961 4.884 5.001 . 0 0 "[ . 1 . 2]" 1
1358 1 58 HIS HB2 1 59 LEU H . . 3.920 3.936 3.921 3.954 0.034 14 0 "[ . 1 . 2]" 1
1359 1 58 HIS HB2 1 59 LEU HA . . 4.820 4.756 4.743 4.771 . 0 0 "[ . 1 . 2]" 1
1360 1 58 HIS HB2 1 67 ILE H . . 3.860 3.749 3.691 3.806 . 0 0 "[ . 1 . 2]" 1
1361 1 58 HIS HB2 1 67 ILE HB . . 3.670 2.428 2.399 2.441 . 0 0 "[ . 1 . 2]" 1
1362 1 58 HIS HB2 1 67 ILE MD . . 4.340 3.954 3.918 3.983 . 0 0 "[ . 1 . 2]" 1
1363 1 58 HIS HB2 1 67 ILE QG . . 4.500 4.520 4.510 4.528 0.028 7 0 "[ . 1 . 2]" 1
1364 1 58 HIS HB2 1 67 ILE MG . . 3.900 3.046 2.951 3.111 . 0 0 "[ . 1 . 2]" 1
1365 1 58 HIS HB2 1 68 ALA H . . 3.300 2.538 2.471 2.621 . 0 0 "[ . 1 . 2]" 1
1366 1 58 HIS HB2 1 68 ALA MB . . 4.220 2.742 2.703 2.777 . 0 0 "[ . 1 . 2]" 1
1367 1 58 HIS HB2 1 89 LEU MD2 . . 3.850 3.707 3.615 3.765 . 0 0 "[ . 1 . 2]" 1
1368 1 58 HIS HB3 1 67 ILE HB . . 3.680 3.051 3.008 3.088 . 0 0 "[ . 1 . 2]" 1
1369 1 58 HIS HB3 1 67 ILE MD . . 3.810 3.490 3.435 3.523 . 0 0 "[ . 1 . 2]" 1
1370 1 58 HIS HB3 1 67 ILE QG . . 5.210 4.752 4.705 4.802 . 0 0 "[ . 1 . 2]" 1
1371 1 58 HIS HB3 1 67 ILE MG . . 3.900 3.584 3.477 3.643 . 0 0 "[ . 1 . 2]" 1
1372 1 58 HIS HB3 1 68 ALA H . . 5.000 4.158 4.085 4.254 . 0 0 "[ . 1 . 2]" 1
1373 1 58 HIS HB3 1 89 LEU MD2 . . 3.990 3.659 3.566 3.715 . 0 0 "[ . 1 . 2]" 1
1374 1 58 HIS HD2 1 67 ILE HB . . 4.950 4.947 4.929 4.955 0.005 7 0 "[ . 1 . 2]" 1
1375 1 58 HIS HD2 1 67 ILE MG . . 4.660 4.429 4.357 4.476 . 0 0 "[ . 1 . 2]" 1
1376 1 58 HIS HD2 1 68 ALA HA . . 5.070 4.527 4.491 4.560 . 0 0 "[ . 1 . 2]" 1
1377 1 58 HIS HD2 1 68 ALA MB . . 3.280 2.332 2.308 2.354 . 0 0 "[ . 1 . 2]" 1
1378 1 58 HIS HD2 1 69 ARG H . . 4.710 4.084 4.016 4.190 . 0 0 "[ . 1 . 2]" 1
1379 1 58 HIS HD2 1 69 ARG HA . . 4.890 3.749 3.709 3.828 . 0 0 "[ . 1 . 2]" 1
1380 1 58 HIS HD2 1 70 HIS H . . 4.680 4.290 4.251 4.396 . 0 0 "[ . 1 . 2]" 1
1381 1 58 HIS HD2 1 70 HIS HB2 . . 4.330 3.298 3.261 3.342 . 0 0 "[ . 1 . 2]" 1
1382 1 58 HIS HD2 1 70 HIS HB3 . . 5.170 4.794 4.739 4.851 . 0 0 "[ . 1 . 2]" 1
1383 1 58 HIS HD2 1 89 LEU H . . 4.620 4.605 4.562 4.623 0.003 11 0 "[ . 1 . 2]" 1
1384 1 58 HIS HD2 1 89 LEU HB3 . . 5.130 3.793 3.713 3.821 . 0 0 "[ . 1 . 2]" 1
1385 1 58 HIS HD2 1 89 LEU MD2 . . 4.080 3.885 3.782 3.926 . 0 0 "[ . 1 . 2]" 1
1386 1 58 HIS HD2 1 90 CYS H . . 4.990 5.003 4.964 5.017 0.027 15 0 "[ . 1 . 2]" 1
1387 1 58 HIS HE1 1 89 LEU MD2 . . 4.200 3.170 3.115 3.221 . 0 0 "[ . 1 . 2]" 1
1388 1 59 LEU H 1 59 LEU HB2 . . 2.950 2.668 2.651 2.677 . 0 0 "[ . 1 . 2]" 1
1389 1 59 LEU H 1 59 LEU QD . . 3.550 2.861 2.820 2.933 . 0 0 "[ . 1 . 2]" 1
1390 1 59 LEU H 1 66 VAL HA . . 5.160 4.855 4.837 4.883 . 0 0 "[ . 1 . 2]" 1
1391 1 59 LEU H 1 67 ILE H . . 4.300 4.369 4.360 4.385 0.085 9 0 "[ . 1 . 2]" 1
1392 1 59 LEU H 1 67 ILE MD . . 4.300 3.815 3.779 3.858 . 0 0 "[ . 1 . 2]" 1
1393 1 59 LEU HA 1 59 LEU QD . . 3.650 3.027 3.005 3.043 . 0 0 "[ . 1 . 2]" 1
1394 1 59 LEU HA 1 59 LEU HG . . 3.480 2.415 2.402 2.439 . 0 0 "[ . 1 . 2]" 1
1395 1 59 LEU HA 1 60 CYS HA . . 4.630 4.409 4.401 4.417 . 0 0 "[ . 1 . 2]" 1
1396 1 59 LEU HA 1 60 CYS HB2 . . 4.760 4.219 4.210 4.240 . 0 0 "[ . 1 . 2]" 1
1397 1 59 LEU HA 1 60 CYS HB3 . . 5.100 4.660 4.631 4.673 . 0 0 "[ . 1 . 2]" 1
1398 1 59 LEU HA 1 64 HIS HA . . 4.070 4.080 4.005 4.096 0.026 20 0 "[ . 1 . 2]" 1
1399 1 59 LEU HA 1 66 VAL HA . . 3.280 2.452 2.436 2.482 . 0 0 "[ . 1 . 2]" 1
1400 1 59 LEU HA 1 66 VAL MG1 . . 4.560 4.065 3.958 4.173 . 0 0 "[ . 1 . 2]" 1
1401 1 59 LEU HA 1 66 VAL MG2 . . 4.050 3.899 3.863 3.952 . 0 0 "[ . 1 . 2]" 1
1402 1 59 LEU HA 1 67 ILE HB . . 4.980 3.759 3.712 3.803 . 0 0 "[ . 1 . 2]" 1
1403 1 59 LEU HA 1 67 ILE MD . . 4.110 3.675 3.647 3.699 . 0 0 "[ . 1 . 2]" 1
1404 1 59 LEU HA 1 67 ILE QG . . 3.730 3.188 3.124 3.329 . 0 0 "[ . 1 . 2]" 1
1405 1 59 LEU HB2 1 64 HIS HA . . 4.330 4.166 4.138 4.227 . 0 0 "[ . 1 . 2]" 1
1406 1 59 LEU HB2 1 64 HIS HD2 . . 4.490 3.471 3.413 3.503 . 0 0 "[ . 1 . 2]" 1
1407 1 59 LEU HB3 1 64 HIS HA . . 3.530 2.543 2.516 2.588 . 0 0 "[ . 1 . 2]" 1
1408 1 59 LEU HB3 1 64 HIS HB2 . . 4.910 4.919 4.904 4.929 0.019 20 0 "[ . 1 . 2]" 1
1409 1 59 LEU HB3 1 64 HIS HD2 . . 4.080 2.895 2.741 2.956 . 0 0 "[ . 1 . 2]" 1
1410 1 59 LEU HB3 1 66 VAL HA . . 4.740 4.310 4.293 4.370 . 0 0 "[ . 1 . 2]" 1
1411 1 59 LEU HB3 1 66 VAL MG2 . . 4.910 4.550 4.520 4.569 . 0 0 "[ . 1 . 2]" 1
1412 1 59 LEU QD 1 64 HIS HA . . 3.280 3.248 3.211 3.278 . 0 0 "[ . 1 . 2]" 1
1413 1 59 LEU QD 1 64 HIS HB2 . . 4.090 4.058 4.047 4.068 . 0 0 "[ . 1 . 2]" 1
1414 1 59 LEU QD 1 64 HIS HB3 . . 3.460 2.586 2.578 2.592 . 0 0 "[ . 1 . 2]" 1
1415 1 59 LEU QD 1 64 HIS HD2 . . 3.710 3.123 3.105 3.142 . 0 0 "[ . 1 . 2]" 1
1416 1 59 LEU QD 1 66 VAL HA . . 3.770 3.371 3.328 3.397 . 0 0 "[ . 1 . 2]" 1
1417 1 59 LEU QD 1 66 VAL MG2 . . 3.070 2.528 2.470 2.601 . 0 0 "[ . 1 . 2]" 1
1418 1 59 LEU HG 1 64 HIS HB3 . . 4.850 4.869 4.861 4.874 0.024 10 0 "[ . 1 . 2]" 1
1419 1 59 LEU HG 1 66 VAL HA . . 3.780 2.517 2.493 2.540 . 0 0 "[ . 1 . 2]" 1
1420 1 59 LEU HG 1 66 VAL MG1 . . 4.400 3.609 3.368 3.720 . 0 0 "[ . 1 . 2]" 1
1421 1 59 LEU HG 1 66 VAL MG2 . . 3.560 2.335 2.303 2.356 . 0 0 "[ . 1 . 2]" 1
1422 1 59 LEU HG 1 67 ILE H . . 4.380 4.000 3.980 4.022 . 0 0 "[ . 1 . 2]" 1
1423 1 60 CYS H 1 61 LYS H . . 4.800 4.587 4.576 4.598 . 0 0 "[ . 1 . 2]" 1
1424 1 60 CYS H 1 64 HIS H . . 4.280 4.072 4.053 4.097 . 0 0 "[ . 1 . 2]" 1
1425 1 60 CYS H 1 65 HIS HD2 . . 4.480 3.848 3.811 3.879 . 0 0 "[ . 1 . 2]" 1
1426 1 60 CYS H 1 66 VAL HA . . 3.960 3.885 3.871 3.910 . 0 0 "[ . 1 . 2]" 1
1427 1 60 CYS H 1 67 ILE H . . 4.010 3.343 3.257 3.372 . 0 0 "[ . 1 . 2]" 1
1428 1 60 CYS H 1 67 ILE QG . . 3.550 2.464 2.432 2.504 . 0 0 "[ . 1 . 2]" 1
1429 1 60 CYS HA 1 61 LYS H . . 2.950 2.193 2.178 2.201 . 0 0 "[ . 1 . 2]" 1
1430 1 60 CYS HA 1 61 LYS HA . . 4.550 4.468 4.460 4.477 . 0 0 "[ . 1 . 2]" 1
1431 1 60 CYS HA 1 67 ILE MD . . 3.270 2.090 2.076 2.113 . 0 0 "[ . 1 . 2]" 1
1432 1 60 CYS HA 1 67 ILE QG . . 4.700 3.387 3.359 3.421 . 0 0 "[ . 1 . 2]" 1
1433 1 60 CYS HB2 1 65 HIS HD2 . . 3.900 2.512 2.492 2.547 . 0 0 "[ . 1 . 2]" 1
1434 1 60 CYS HB2 1 67 ILE MD . . 3.480 2.490 2.453 2.509 . 0 0 "[ . 1 . 2]" 1
1435 1 60 CYS HB2 1 67 ILE QG . . 3.830 2.395 2.368 2.415 . 0 0 "[ . 1 . 2]" 1
1436 1 60 CYS HB3 1 64 HIS H . . 3.520 2.452 2.438 2.510 . 0 0 "[ . 1 . 2]" 1
1437 1 60 CYS HB3 1 67 ILE MD . . 3.890 3.807 3.792 3.820 . 0 0 "[ . 1 . 2]" 1
1438 1 60 CYS HB3 1 67 ILE QG . . 4.370 3.847 3.813 3.865 . 0 0 "[ . 1 . 2]" 1
1439 1 61 LYS H 1 61 LYS HB3 . . 3.340 2.293 2.278 2.319 . 0 0 "[ . 1 . 2]" 1
1440 1 61 LYS H 1 61 LYS HD2 . . 5.000 4.877 4.829 4.923 . 0 0 "[ . 1 . 2]" 1
1441 1 61 LYS H 1 62 ASN H . . 3.450 2.754 2.742 2.760 . 0 0 "[ . 1 . 2]" 1
1442 1 61 LYS H 1 63 CYS H . . 5.060 5.065 4.973 5.081 0.021 17 0 "[ . 1 . 2]" 1
1443 1 61 LYS H 1 64 HIS H . . 5.280 4.802 4.792 4.811 . 0 0 "[ . 1 . 2]" 1
1444 1 61 LYS HA 1 61 LYS HD2 . . 3.250 2.460 2.384 2.533 . 0 0 "[ . 1 . 2]" 1
1445 1 61 LYS HA 1 61 LYS HG2 . . 3.890 3.969 3.948 3.978 0.088 3 0 "[ . 1 . 2]" 1
1446 1 61 LYS HA 1 62 ASN HA . . 4.840 4.707 4.694 4.714 . 0 0 "[ . 1 . 2]" 1
1447 1 61 LYS HA 1 64 HIS H . . 4.320 4.331 4.323 4.336 0.016 1 0 "[ . 1 . 2]" 1
1448 1 61 LYS HA 1 64 HIS HA . . 4.730 4.548 4.527 4.586 . 0 0 "[ . 1 . 2]" 1
1449 1 61 LYS HA 1 64 HIS HD2 . . 3.670 3.700 3.694 3.707 0.037 16 0 "[ . 1 . 2]" 1
1450 1 61 LYS HB3 1 61 LYS HG2 . . 2.920 2.368 2.358 2.389 . 0 0 "[ . 1 . 2]" 1
1451 1 61 LYS HB3 1 62 ASN HB2 . . 4.800 4.678 4.584 4.722 . 0 0 "[ . 1 . 2]" 1
1452 1 61 LYS HB3 1 62 ASN HB3 . . 5.470 5.305 5.286 5.328 . 0 0 "[ . 1 . 2]" 1
1453 1 61 LYS HD2 1 61 LYS HG3 . . 3.010 2.577 2.541 2.628 . 0 0 "[ . 1 . 2]" 1
1454 1 61 LYS HG3 1 62 ASN HA . . 4.410 4.009 4.004 4.016 . 0 0 "[ . 1 . 2]" 1
1455 1 62 ASN H 1 62 ASN HB3 . . 2.830 2.427 2.415 2.449 . 0 0 "[ . 1 . 2]" 1
1456 1 62 ASN H 1 63 CYS H . . 3.130 2.656 2.589 2.673 . 0 0 "[ . 1 . 2]" 1
1457 1 62 ASN H 1 63 CYS HA . . 5.070 5.098 5.081 5.103 0.033 5 0 "[ . 1 . 2]" 1
1458 1 62 ASN H 1 64 HIS H . . 3.210 3.261 3.255 3.264 0.054 13 0 "[ . 1 . 2]" 1
1459 1 62 ASN HA 1 62 ASN HB2 . . 2.930 2.397 2.388 2.426 . 0 0 "[ . 1 . 2]" 1
1460 1 62 ASN HA 1 64 HIS H . . 4.530 4.549 4.543 4.568 0.038 9 0 "[ . 1 . 2]" 1
1461 1 62 ASN HB3 1 62 ASN HD21 . . 3.500 2.214 2.203 2.219 . 0 0 "[ . 1 . 2]" 1
1462 1 62 ASN HB3 1 62 ASN HD22 . . 3.560 3.511 3.507 3.513 . 0 0 "[ . 1 . 2]" 1
1463 1 62 ASN HB3 1 63 CYS HA . . 5.030 4.671 4.645 4.708 . 0 0 "[ . 1 . 2]" 1
1464 1 62 ASN HD21 1 63 CYS H . . 4.170 3.084 3.030 3.250 . 0 0 "[ . 1 . 2]" 1
1465 1 62 ASN HD22 1 63 CYS H . . 4.420 4.323 4.254 4.506 0.086 9 0 "[ . 1 . 2]" 1
1466 1 63 CYS H 1 63 CYS HB2 . . 3.670 3.618 3.605 3.645 . 0 0 "[ . 1 . 2]" 1
1467 1 63 CYS H 1 63 CYS HB3 . . 3.230 2.853 2.835 2.909 . 0 0 "[ . 1 . 2]" 1
1468 1 63 CYS H 1 64 HIS H . . 3.000 2.535 2.460 2.557 . 0 0 "[ . 1 . 2]" 1
1469 1 63 CYS HB2 1 64 HIS H . . 4.640 4.300 4.289 4.321 . 0 0 "[ . 1 . 2]" 1
1470 1 63 CYS HB3 1 64 HIS H . . 4.520 4.504 4.497 4.515 . 0 0 "[ . 1 . 2]" 1
1471 1 64 HIS H 1 65 HIS QB . . 5.040 4.368 4.337 4.403 . 0 0 "[ . 1 . 2]" 1
1472 1 64 HIS HA 1 64 HIS HD2 . . 3.540 2.846 2.731 2.885 . 0 0 "[ . 1 . 2]" 1
1473 1 65 HIS H 1 65 HIS QB . . 3.020 1.952 1.943 1.964 . 0 0 "[ . 1 . 2]" 1
1474 1 65 HIS HA 1 65 HIS QB . . 2.710 2.166 2.159 2.171 . 0 0 "[ . 1 . 2]" 1
1475 1 65 HIS HA 1 66 VAL H . . 2.610 2.354 2.336 2.365 . 0 0 "[ . 1 . 2]" 1
1476 1 65 HIS QB 1 66 VAL H . . 3.780 3.542 3.517 3.556 . 0 0 "[ . 1 . 2]" 1
1477 1 65 HIS QB 1 67 ILE QG . . 4.360 4.395 4.391 4.398 0.038 5 0 "[ . 1 . 2]" 1
1478 1 65 HIS HD2 1 67 ILE H . . 4.680 4.615 4.544 4.643 . 0 0 "[ . 1 . 2]" 1
1479 1 65 HIS HD2 1 67 ILE HA . . 3.700 3.799 3.785 3.812 0.112 20 0 "[ . 1 . 2]" 1
1480 1 65 HIS HD2 1 67 ILE MD . . 3.950 3.984 3.979 3.989 0.039 9 0 "[ . 1 . 2]" 1
1481 1 65 HIS HD2 1 67 ILE QG . . 3.630 2.855 2.848 2.859 . 0 0 "[ . 1 . 2]" 1
1482 1 66 VAL H 1 66 VAL HB . . 2.880 2.497 2.447 2.572 . 0 0 "[ . 1 . 2]" 1
1483 1 66 VAL H 1 66 VAL MG1 . . 3.770 3.801 3.793 3.806 0.036 7 0 "[ . 1 . 2]" 1
1484 1 66 VAL H 1 66 VAL MG2 . . 2.890 2.366 2.268 2.423 . 0 0 "[ . 1 . 2]" 1
1485 1 66 VAL H 1 67 ILE H . . 4.700 4.313 4.271 4.330 . 0 0 "[ . 1 . 2]" 1
1486 1 66 VAL HA 1 66 VAL MG1 . . 2.970 2.381 2.312 2.428 . 0 0 "[ . 1 . 2]" 1
1487 1 66 VAL HA 1 66 VAL MG2 . . 2.870 2.382 2.355 2.426 . 0 0 "[ . 1 . 2]" 1
1488 1 66 VAL HA 1 67 ILE H . . 2.890 2.080 2.070 2.092 . 0 0 "[ . 1 . 2]" 1
1489 1 66 VAL HA 1 67 ILE HA . . 4.420 4.471 4.466 4.480 0.060 7 0 "[ . 1 . 2]" 1
1490 1 66 VAL HA 1 67 ILE HB . . 4.910 4.239 4.199 4.266 . 0 0 "[ . 1 . 2]" 1
1491 1 66 VAL HA 1 67 ILE MD . . 5.000 5.029 5.013 5.037 0.037 18 0 "[ . 1 . 2]" 1
1492 1 66 VAL HA 1 67 ILE QG . . 4.870 3.931 3.883 3.985 . 0 0 "[ . 1 . 2]" 1
1493 1 66 VAL HA 1 68 ALA H . . 5.000 3.791 3.723 3.832 . 0 0 "[ . 1 . 2]" 1
1494 1 66 VAL MG1 1 67 ILE H . . 3.270 3.161 3.096 3.214 . 0 0 "[ . 1 . 2]" 1
1495 1 66 VAL MG1 1 67 ILE HA . . 4.720 4.455 4.417 4.515 . 0 0 "[ . 1 . 2]" 1
1496 1 66 VAL MG1 1 67 ILE HB . . 4.780 4.383 4.298 4.425 . 0 0 "[ . 1 . 2]" 1
1497 1 66 VAL MG1 1 67 ILE QG . . 4.880 4.840 4.813 4.887 0.007 19 0 "[ . 1 . 2]" 1
1498 1 66 VAL MG1 1 68 ALA H . . 3.050 2.664 2.556 2.717 . 0 0 "[ . 1 . 2]" 1
1499 1 66 VAL MG1 1 68 ALA HA . . 3.800 3.508 3.379 3.616 . 0 0 "[ . 1 . 2]" 1
1500 1 66 VAL MG1 1 68 ALA MB . . 4.440 4.168 4.066 4.223 . 0 0 "[ . 1 . 2]" 1
1501 1 66 VAL MG1 1 69 ARG H . . 4.750 4.349 4.129 4.470 . 0 0 "[ . 1 . 2]" 1
1502 1 66 VAL MG1 1 69 ARG HA . . 4.190 3.907 3.720 4.013 . 0 0 "[ . 1 . 2]" 1
1503 1 66 VAL MG1 1 69 ARG QD . . 4.560 2.323 2.007 2.461 . 0 0 "[ . 1 . 2]" 1
1504 1 66 VAL MG1 1 69 ARG QG . . 4.150 3.485 3.371 3.604 . 0 0 "[ . 1 . 2]" 1
1505 1 66 VAL MG2 1 67 ILE H . . 4.170 4.108 4.067 4.183 0.013 9 0 "[ . 1 . 2]" 1
1506 1 67 ILE H 1 67 ILE HB . . 3.090 2.253 2.223 2.286 . 0 0 "[ . 1 . 2]" 1
1507 1 67 ILE H 1 67 ILE QG . . 2.990 2.313 2.274 2.367 . 0 0 "[ . 1 . 2]" 1
1508 1 67 ILE H 1 68 ALA H . . 3.910 2.703 2.674 2.761 . 0 0 "[ . 1 . 2]" 1
1509 1 67 ILE HA 1 67 ILE MD . . 4.080 3.746 3.737 3.755 . 0 0 "[ . 1 . 2]" 1
1510 1 67 ILE HA 1 67 ILE QG . . 3.140 2.213 2.205 2.221 . 0 0 "[ . 1 . 2]" 1
1511 1 67 ILE HA 1 67 ILE MG . . 2.840 2.630 2.619 2.649 . 0 0 "[ . 1 . 2]" 1
1512 1 67 ILE HA 1 68 ALA MB . . 4.260 4.320 4.317 4.325 0.065 14 0 "[ . 1 . 2]" 1
1513 1 67 ILE HB 1 67 ILE MD . . 3.230 2.452 2.432 2.466 . 0 0 "[ . 1 . 2]" 1
1514 1 67 ILE HB 1 68 ALA MB . . 4.260 3.632 3.596 3.690 . 0 0 "[ . 1 . 2]" 1
1515 1 67 ILE MD 1 67 ILE MG . . 2.830 2.049 2.035 2.067 . 0 0 "[ . 1 . 2]" 1
1516 1 67 ILE QG 1 67 ILE MG . . 3.000 2.382 2.374 2.393 . 0 0 "[ . 1 . 2]" 1
1517 1 67 ILE MG 1 68 ALA H . . 3.750 3.121 3.075 3.146 . 0 0 "[ . 1 . 2]" 1
1518 1 67 ILE MG 1 68 ALA HA . . 4.920 4.030 3.994 4.073 . 0 0 "[ . 1 . 2]" 1
1519 1 67 ILE MG 1 68 ALA MB . . 3.100 2.314 2.288 2.349 . 0 0 "[ . 1 . 2]" 1
1520 1 67 ILE MG 1 89 LEU MD2 . . 2.850 2.590 2.553 2.634 . 0 0 "[ . 1 . 2]" 1
1521 1 68 ALA H 1 68 ALA MB . . 3.150 2.694 2.678 2.707 . 0 0 "[ . 1 . 2]" 1
1522 1 68 ALA H 1 69 ARG H . . 4.420 4.402 4.385 4.411 . 0 0 "[ . 1 . 2]" 1
1523 1 68 ALA HA 1 69 ARG H . . 2.450 2.414 2.389 2.432 . 0 0 "[ . 1 . 2]" 1
1524 1 68 ALA HA 1 69 ARG HA . . 5.160 4.568 4.554 4.574 . 0 0 "[ . 1 . 2]" 1
1525 1 68 ALA HA 1 69 ARG QD . . 5.470 3.453 3.324 3.634 . 0 0 "[ . 1 . 2]" 1
1526 1 68 ALA HA 1 88 LEU H . . 5.010 4.987 4.924 5.012 0.002 20 0 "[ . 1 . 2]" 1
1527 1 68 ALA HA 1 88 LEU QB . . 3.460 3.154 3.092 3.205 . 0 0 "[ . 1 . 2]" 1
1528 1 68 ALA HA 1 88 LEU MD2 . . 3.300 2.403 2.349 2.489 . 0 0 "[ . 1 . 2]" 1
1529 1 68 ALA HA 1 88 LEU HG . . 4.380 4.312 4.253 4.376 . 0 0 "[ . 1 . 2]" 1
1530 1 68 ALA MB 1 69 ARG HA . . 4.680 4.133 4.119 4.165 . 0 0 "[ . 1 . 2]" 1
1531 1 68 ALA MB 1 87 CYS HA . . 4.720 4.665 4.626 4.692 . 0 0 "[ . 1 . 2]" 1
1532 1 68 ALA MB 1 88 LEU QB . . 3.140 2.163 2.146 2.184 . 0 0 "[ . 1 . 2]" 1
1533 1 68 ALA MB 1 88 LEU MD2 . . 2.850 2.650 2.616 2.688 . 0 0 "[ . 1 . 2]" 1
1534 1 68 ALA MB 1 88 LEU HG . . 3.640 3.021 2.994 3.057 . 0 0 "[ . 1 . 2]" 1
1535 1 68 ALA MB 1 89 LEU MD2 . . 3.110 3.125 3.118 3.129 0.019 14 0 "[ . 1 . 2]" 1
1536 1 69 ARG H 1 69 ARG HB2 . . 3.000 2.501 2.454 2.520 . 0 0 "[ . 1 . 2]" 1
1537 1 69 ARG H 1 69 ARG HB3 . . 3.590 3.618 3.611 3.623 0.033 18 0 "[ . 1 . 2]" 1
1538 1 69 ARG H 1 69 ARG QD . . 3.580 3.065 2.762 3.230 . 0 0 "[ . 1 . 2]" 1
1539 1 69 ARG H 1 70 HIS H . . 4.570 4.413 4.395 4.445 . 0 0 "[ . 1 . 2]" 1
1540 1 69 ARG H 1 88 LEU H . . 4.280 3.340 3.268 3.439 . 0 0 "[ . 1 . 2]" 1
1541 1 69 ARG H 1 88 LEU HG . . 5.120 4.941 4.858 5.033 . 0 0 "[ . 1 . 2]" 1
1542 1 69 ARG H 1 89 LEU H . . 4.650 4.550 4.458 4.656 0.006 4 0 "[ . 1 . 2]" 1
1543 1 69 ARG HA 1 69 ARG HB2 . . 3.020 3.042 3.037 3.046 0.026 19 0 "[ . 1 . 2]" 1
1544 1 69 ARG HA 1 69 ARG QD . . 3.990 2.932 2.675 3.012 . 0 0 "[ . 1 . 2]" 1
1545 1 69 ARG HA 1 69 ARG QG . . 3.180 2.292 2.251 2.417 . 0 0 "[ . 1 . 2]" 1
1546 1 69 ARG HA 1 70 HIS H . . 2.720 2.142 2.129 2.167 . 0 0 "[ . 1 . 2]" 1
1547 1 69 ARG HA 1 70 HIS HA . . 5.330 4.471 4.465 4.493 . 0 0 "[ . 1 . 2]" 1
1548 1 69 ARG HA 1 70 HIS HB2 . . 4.330 4.093 4.073 4.139 . 0 0 "[ . 1 . 2]" 1
1549 1 69 ARG HB2 1 69 ARG QD . . 2.930 2.510 2.409 2.971 0.041 7 0 "[ . 1 . 2]" 1
1550 1 69 ARG HB2 1 69 ARG HE . . 4.970 4.255 2.384 4.605 . 0 0 "[ . 1 . 2]" 1
1551 1 69 ARG HB2 1 70 HIS H . . 4.280 4.155 4.057 4.180 . 0 0 "[ . 1 . 2]" 1
1552 1 69 ARG HB3 1 69 ARG QD . . 3.370 3.351 3.327 3.468 0.098 7 0 "[ . 1 . 2]" 1
1553 1 69 ARG HB3 1 70 HIS H . . 3.560 2.930 2.804 2.969 . 0 0 "[ . 1 . 2]" 1
1554 1 69 ARG QG 1 70 HIS H . . 3.460 3.492 3.467 3.529 0.069 7 0 "[ . 1 . 2]" 1
1555 1 70 HIS H 1 70 HIS HB3 . . 2.970 2.709 2.691 2.760 . 0 0 "[ . 1 . 2]" 1
1556 1 70 HIS H 1 70 HIS HD2 . . 5.170 5.117 5.081 5.149 . 0 0 "[ . 1 . 2]" 1
1557 1 70 HIS H 1 71 GLU H . . 4.590 4.453 4.429 4.468 . 0 0 "[ . 1 . 2]" 1
1558 1 70 HIS H 1 71 GLU QB . . 5.270 4.908 4.859 4.934 . 0 0 "[ . 1 . 2]" 1
1559 1 70 HIS H 1 87 CYS HA . . 4.830 4.871 4.863 4.885 0.055 16 0 "[ . 1 . 2]" 1
1560 1 70 HIS HA 1 70 HIS HD2 . . 4.700 3.716 3.702 3.731 . 0 0 "[ . 1 . 2]" 1
1561 1 70 HIS HA 1 71 GLU H . . 2.720 2.190 2.186 2.196 . 0 0 "[ . 1 . 2]" 1
1562 1 70 HIS HA 1 71 GLU HA . . 5.430 4.500 4.498 4.505 . 0 0 "[ . 1 . 2]" 1
1563 1 70 HIS HA 1 86 LEU H . . 5.040 4.963 4.951 4.982 . 0 0 "[ . 1 . 2]" 1
1564 1 70 HIS HA 1 87 CYS H . . 4.860 4.732 4.722 4.745 . 0 0 "[ . 1 . 2]" 1
1565 1 70 HIS HA 1 87 CYS HA . . 3.250 2.457 2.448 2.464 . 0 0 "[ . 1 . 2]" 1
1566 1 70 HIS HA 1 87 CYS HB2 . . 3.180 2.276 2.267 2.286 . 0 0 "[ . 1 . 2]" 1
1567 1 70 HIS HA 1 87 CYS HB3 . . 3.840 3.879 3.873 3.891 0.051 9 0 "[ . 1 . 2]" 1
1568 1 70 HIS HA 1 88 LEU H . . 4.160 4.032 4.015 4.054 . 0 0 "[ . 1 . 2]" 1
1569 1 70 HIS HA 1 90 CYS H . . 5.380 5.370 5.337 5.388 0.008 9 0 "[ . 1 . 2]" 1
1570 1 70 HIS HB3 1 70 HIS HD2 . . 3.950 3.017 3.010 3.026 . 0 0 "[ . 1 . 2]" 1
1571 1 70 HIS HB3 1 71 GLU H . . 4.040 3.969 3.948 3.996 . 0 0 "[ . 1 . 2]" 1
1572 1 70 HIS HB3 1 87 CYS HA . . 5.450 5.452 5.437 5.460 0.010 14 0 "[ . 1 . 2]" 1
1573 1 70 HIS HD2 1 71 GLU HA . . 4.040 3.162 3.134 3.203 . 0 0 "[ . 1 . 2]" 1
1574 1 70 HIS HD2 1 72 TYR H . . 4.110 3.402 3.363 3.443 . 0 0 "[ . 1 . 2]" 1
1575 1 70 HIS HD2 1 72 TYR HA . . 4.460 4.496 4.487 4.502 0.042 5 0 "[ . 1 . 2]" 1
1576 1 70 HIS HD2 1 72 TYR HB2 . . 4.300 3.461 3.428 3.482 . 0 0 "[ . 1 . 2]" 1
1577 1 70 HIS HD2 1 72 TYR HB3 . . 4.070 3.469 3.445 3.486 . 0 0 "[ . 1 . 2]" 1
1578 1 70 HIS HD2 1 72 TYR QD . . 5.190 5.216 5.206 5.230 0.040 11 0 "[ . 1 . 2]" 1
1579 1 70 HIS HD2 1 85 MET HA . . 5.250 5.313 5.304 5.323 0.073 7 0 "[ . 1 . 2]" 1
1580 1 70 HIS HD2 1 87 CYS HB2 . . 4.810 4.083 4.067 4.106 . 0 0 "[ . 1 . 2]" 1
1581 1 70 HIS HE1 1 85 MET ME . . 4.620 4.038 3.956 4.094 . 0 0 "[ . 1 . 2]" 1
1582 1 70 HIS HE1 1 85 MET QG . . 4.810 3.719 3.664 3.751 . 0 0 "[ . 1 . 2]" 1
1583 1 70 HIS HE1 1 87 CYS HB3 . . 4.820 3.853 3.840 3.868 . 0 0 "[ . 1 . 2]" 1
1584 1 70 HIS HE1 1 90 CYS H . . 5.320 4.690 4.659 4.735 . 0 0 "[ . 1 . 2]" 1
1585 1 70 HIS HE1 1 90 CYS HA . . 5.490 4.906 4.870 4.957 . 0 0 "[ . 1 . 2]" 1
1586 1 70 HIS HE1 1 90 CYS HB2 . . 3.300 2.486 2.450 2.546 . 0 0 "[ . 1 . 2]" 1
1587 1 70 HIS HE1 1 90 CYS HB3 . . 5.000 2.584 2.556 2.640 . 0 0 "[ . 1 . 2]" 1
1588 1 70 HIS HE1 1 91 GLY H . . 5.040 5.081 5.073 5.090 0.050 10 0 "[ . 1 . 2]" 1
1589 1 71 GLU H 1 71 GLU HG2 . . 4.370 4.246 4.241 4.252 . 0 0 "[ . 1 . 2]" 1
1590 1 71 GLU H 1 72 TYR H . . 4.220 4.227 4.218 4.234 0.014 4 0 "[ . 1 . 2]" 1
1591 1 71 GLU H 1 85 MET QG . . 4.320 3.933 3.904 3.963 . 0 0 "[ . 1 . 2]" 1
1592 1 71 GLU H 1 86 LEU H . . 3.490 3.193 3.185 3.204 . 0 0 "[ . 1 . 2]" 1
1593 1 71 GLU H 1 86 LEU HB3 . . 4.370 3.921 3.878 3.961 . 0 0 "[ . 1 . 2]" 1
1594 1 71 GLU H 1 87 CYS H . . 4.530 4.581 4.574 4.586 0.056 20 0 "[ . 1 . 2]" 1
1595 1 71 GLU H 1 87 CYS HA . . 3.800 3.435 3.413 3.448 . 0 0 "[ . 1 . 2]" 1
1596 1 71 GLU H 1 87 CYS HB2 . . 3.150 2.998 2.983 3.010 . 0 0 "[ . 1 . 2]" 1
1597 1 71 GLU H 1 87 CYS HB3 . . 4.530 4.546 4.540 4.553 0.023 6 0 "[ . 1 . 2]" 1
1598 1 71 GLU HA 1 71 GLU HG2 . . 3.520 3.397 3.391 3.405 . 0 0 "[ . 1 . 2]" 1
1599 1 71 GLU HA 1 71 GLU HG3 . . 3.260 2.607 2.590 2.621 . 0 0 "[ . 1 . 2]" 1
1600 1 71 GLU HA 1 72 TYR H . . 2.790 2.143 2.130 2.150 . 0 0 "[ . 1 . 2]" 1
1601 1 71 GLU QB 1 72 TYR HA . . 4.810 4.754 4.743 4.771 . 0 0 "[ . 1 . 2]" 1
1602 1 71 GLU QB 1 73 THR MG . . 4.220 3.989 3.972 4.003 . 0 0 "[ . 1 . 2]" 1
1603 1 71 GLU QB 1 86 LEU HB2 . . 4.620 4.117 4.093 4.143 . 0 0 "[ . 1 . 2]" 1
1604 1 71 GLU QB 1 86 LEU HB3 . . 3.810 2.518 2.496 2.546 . 0 0 "[ . 1 . 2]" 1
1605 1 71 GLU QB 1 86 LEU MD2 . . 4.060 3.144 3.115 3.177 . 0 0 "[ . 1 . 2]" 1
1606 1 71 GLU HG2 1 72 TYR H . . 3.960 3.452 3.414 3.497 . 0 0 "[ . 1 . 2]" 1
1607 1 71 GLU HG2 1 72 TYR HA . . 5.060 3.698 3.680 3.728 . 0 0 "[ . 1 . 2]" 1
1608 1 71 GLU HG2 1 73 THR H . . 4.550 4.148 4.130 4.176 . 0 0 "[ . 1 . 2]" 1
1609 1 71 GLU HG2 1 73 THR MG . . 3.290 2.425 2.407 2.447 . 0 0 "[ . 1 . 2]" 1
1610 1 71 GLU HG2 1 86 LEU HB2 . . 4.760 4.365 4.360 4.370 . 0 0 "[ . 1 . 2]" 1
1611 1 71 GLU HG2 1 86 LEU HB3 . . 4.880 3.389 3.382 3.400 . 0 0 "[ . 1 . 2]" 1
1612 1 71 GLU HG2 1 86 LEU MD2 . . 4.640 4.309 4.306 4.314 . 0 0 "[ . 1 . 2]" 1
1613 1 71 GLU HG3 1 72 TYR HA . . 4.390 4.345 4.324 4.366 . 0 0 "[ . 1 . 2]" 1
1614 1 71 GLU HG3 1 73 THR HA . . 5.450 5.086 5.071 5.109 . 0 0 "[ . 1 . 2]" 1
1615 1 71 GLU HG3 1 73 THR MG . . 3.510 2.504 2.487 2.518 . 0 0 "[ . 1 . 2]" 1
1616 1 71 GLU HG3 1 86 LEU MD2 . . 5.470 5.334 5.322 5.353 . 0 0 "[ . 1 . 2]" 1
1617 1 72 TYR H 1 72 TYR QD . . 4.220 4.116 4.083 4.146 . 0 0 "[ . 1 . 2]" 1
1618 1 72 TYR H 1 73 THR H . . 4.330 4.217 4.198 4.235 . 0 0 "[ . 1 . 2]" 1
1619 1 72 TYR H 1 73 THR MG . . 4.400 3.591 3.550 3.622 . 0 0 "[ . 1 . 2]" 1
1620 1 72 TYR H 1 86 LEU H . . 4.950 4.907 4.897 4.914 . 0 0 "[ . 1 . 2]" 1
1621 1 72 TYR HA 1 72 TYR QD . . 3.490 2.722 2.707 2.746 . 0 0 "[ . 1 . 2]" 1
1622 1 72 TYR HA 1 72 TYR QE . . 4.830 4.824 4.810 4.841 0.011 6 0 "[ . 1 . 2]" 1
1623 1 72 TYR HA 1 85 MET H . . 4.880 4.783 4.764 4.805 . 0 0 "[ . 1 . 2]" 1
1624 1 72 TYR HA 1 85 MET HA . . 3.000 2.188 2.178 2.202 . 0 0 "[ . 1 . 2]" 1
1625 1 72 TYR HA 1 85 MET HB2 . . 4.280 3.418 3.391 3.442 . 0 0 "[ . 1 . 2]" 1
1626 1 72 TYR HA 1 85 MET HB3 . . 4.810 4.801 4.778 4.815 0.005 17 0 "[ . 1 . 2]" 1
1627 1 72 TYR HA 1 85 MET QG . . 3.880 3.399 3.374 3.440 . 0 0 "[ . 1 . 2]" 1
1628 1 72 TYR HA 1 86 LEU H . . 3.450 3.469 3.464 3.478 0.028 4 0 "[ . 1 . 2]" 1
1629 1 72 TYR HB2 1 73 THR H . . 4.180 4.134 4.119 4.153 . 0 0 "[ . 1 . 2]" 1
1630 1 72 TYR HB2 1 85 MET HA . . 3.760 3.601 3.561 3.641 . 0 0 "[ . 1 . 2]" 1
1631 1 72 TYR QD 1 73 THR H . . 3.770 3.049 3.029 3.079 . 0 0 "[ . 1 . 2]" 1
1632 1 72 TYR QD 1 73 THR HA . . 4.610 4.421 4.412 4.435 . 0 0 "[ . 1 . 2]" 1
1633 1 72 TYR QD 1 74 PHE H . . 5.110 5.117 5.110 5.126 0.016 5 0 "[ . 1 . 2]" 1
1634 1 72 TYR QD 1 74 PHE HB2 . . 4.600 4.569 4.546 4.594 . 0 0 "[ . 1 . 2]" 1
1635 1 72 TYR QD 1 74 PHE HB3 . . 5.350 5.036 5.002 5.065 . 0 0 "[ . 1 . 2]" 1
1636 1 72 TYR QD 1 83 TYR HA . . 4.830 4.858 4.852 4.863 0.033 17 0 "[ . 1 . 2]" 1
1637 1 72 TYR QD 1 83 TYR QD . . 4.440 4.483 4.478 4.490 0.050 4 0 "[ . 1 . 2]" 1
1638 1 72 TYR QD 1 85 MET HA . . 4.100 3.432 3.406 3.486 . 0 0 "[ . 1 . 2]" 1
1639 1 72 TYR QD 1 85 MET HB2 . . 5.110 2.651 2.609 2.710 . 0 0 "[ . 1 . 2]" 1
1640 1 72 TYR QD 1 85 MET HB3 . . 4.920 4.305 4.261 4.360 . 0 0 "[ . 1 . 2]" 1
1641 1 72 TYR QD 1 85 MET QG . . 5.220 3.999 3.962 4.064 . 0 0 "[ . 1 . 2]" 1
1642 1 72 TYR QD 1 86 LEU H . . 5.400 5.250 5.225 5.298 . 0 0 "[ . 1 . 2]" 1
1643 1 72 TYR QE 1 73 THR H . . 4.810 4.402 4.387 4.426 . 0 0 "[ . 1 . 2]" 1
1644 1 72 TYR QE 1 73 THR HA . . 5.060 4.943 4.926 4.957 . 0 0 "[ . 1 . 2]" 1
1645 1 72 TYR QE 1 74 PHE H . . 4.740 4.772 4.759 4.782 0.042 18 0 "[ . 1 . 2]" 1
1646 1 72 TYR QE 1 74 PHE HA . . 4.190 4.286 4.277 4.296 0.106 17 0 "[ . 1 . 2]" 1
1647 1 72 TYR QE 1 74 PHE HB2 . . 3.670 3.086 3.053 3.121 . 0 0 "[ . 1 . 2]" 1
1648 1 72 TYR QE 1 74 PHE HB3 . . 3.910 3.737 3.690 3.784 . 0 0 "[ . 1 . 2]" 1
1649 1 72 TYR QE 1 74 PHE QD . . 4.330 4.098 4.061 4.128 . 0 0 "[ . 1 . 2]" 1
1650 1 72 TYR QE 1 83 TYR HA . . 4.430 3.423 3.374 3.466 . 0 0 "[ . 1 . 2]" 1
1651 1 72 TYR QE 1 83 TYR QB . . 3.800 2.975 2.926 3.059 . 0 0 "[ . 1 . 2]" 1
1652 1 72 TYR QE 1 83 TYR QD . . 3.450 2.159 2.145 2.177 . 0 0 "[ . 1 . 2]" 1
1653 1 72 TYR QE 1 83 TYR QE . . 4.060 4.078 4.072 4.088 0.028 4 0 "[ . 1 . 2]" 1
1654 1 72 TYR QE 1 84 THR H . . 5.120 3.441 3.387 3.488 . 0 0 "[ . 1 . 2]" 1
1655 1 72 TYR QE 1 85 MET HB2 . . 5.230 4.559 4.513 4.630 . 0 0 "[ . 1 . 2]" 1
1656 1 73 THR H 1 73 THR HB . . 3.910 3.940 3.938 3.943 0.033 20 0 "[ . 1 . 2]" 1
1657 1 73 THR H 1 73 THR MG . . 3.340 2.668 2.661 2.690 . 0 0 "[ . 1 . 2]" 1
1658 1 73 THR H 1 74 PHE H . . 4.450 4.368 4.356 4.379 . 0 0 "[ . 1 . 2]" 1
1659 1 73 THR H 1 84 THR H . . 3.690 3.279 3.257 3.299 . 0 0 "[ . 1 . 2]" 1
1660 1 73 THR H 1 84 THR HB . . 5.030 4.942 4.894 4.997 . 0 0 "[ . 1 . 2]" 1
1661 1 73 THR H 1 85 MET HA . . 3.380 3.350 3.342 3.363 . 0 0 "[ . 1 . 2]" 1
1662 1 73 THR H 1 86 LEU H . . 4.890 4.990 4.982 4.996 0.106 17 0 "[ . 1 . 2]" 1
1663 1 73 THR HA 1 73 THR HB . . 2.920 2.236 2.232 2.240 . 0 0 "[ . 1 . 2]" 1
1664 1 73 THR HA 1 73 THR MG . . 2.790 2.714 2.708 2.721 . 0 0 "[ . 1 . 2]" 1
1665 1 73 THR HB 1 74 PHE H . . 3.510 3.158 3.137 3.168 . 0 0 "[ . 1 . 2]" 1
1666 1 73 THR MG 1 86 LEU H . . 5.270 4.950 4.914 4.973 . 0 0 "[ . 1 . 2]" 1
1667 1 74 PHE H 1 74 PHE HB2 . . 3.450 3.319 3.297 3.339 . 0 0 "[ . 1 . 2]" 1
1668 1 74 PHE H 1 74 PHE HB3 . . 3.350 2.533 2.511 2.553 . 0 0 "[ . 1 . 2]" 1
1669 1 74 PHE H 1 74 PHE QD . . 4.280 4.074 4.065 4.084 . 0 0 "[ . 1 . 2]" 1
1670 1 74 PHE H 1 75 SER HA . . 5.130 4.991 4.976 5.004 . 0 0 "[ . 1 . 2]" 1
1671 1 74 PHE HA 1 74 PHE QD . . 2.950 2.712 2.680 2.746 . 0 0 "[ . 1 . 2]" 1
1672 1 74 PHE HA 1 74 PHE QE . . 4.710 4.653 4.630 4.674 . 0 0 "[ . 1 . 2]" 1
1673 1 74 PHE HA 1 75 SER H . . 2.710 2.227 2.219 2.237 . 0 0 "[ . 1 . 2]" 1
1674 1 74 PHE HA 1 75 SER HB2 . . 5.410 4.276 4.264 4.305 . 0 0 "[ . 1 . 2]" 1
1675 1 74 PHE HA 1 83 TYR HA . . 2.960 2.562 2.540 2.581 . 0 0 "[ . 1 . 2]" 1
1676 1 74 PHE HA 1 83 TYR QB . . 4.840 4.588 4.565 4.609 . 0 0 "[ . 1 . 2]" 1
1677 1 74 PHE HA 1 83 TYR QD . . 4.360 4.223 4.197 4.252 . 0 0 "[ . 1 . 2]" 1
1678 1 74 PHE HA 1 83 TYR QE . . 5.350 5.316 5.290 5.342 . 0 0 "[ . 1 . 2]" 1
1679 1 74 PHE HA 1 84 THR H . . 3.760 3.303 3.294 3.316 . 0 0 "[ . 1 . 2]" 1
1680 1 74 PHE HA 1 84 THR MG . . 3.960 4.000 3.993 4.013 0.053 4 0 "[ . 1 . 2]" 1
1681 1 74 PHE HB2 1 75 SER H . . 4.200 4.134 4.113 4.153 . 0 0 "[ . 1 . 2]" 1
1682 1 74 PHE HB2 1 83 TYR HA . . 4.150 3.387 3.348 3.433 . 0 0 "[ . 1 . 2]" 1
1683 1 74 PHE HB2 1 83 TYR QD . . 4.050 3.185 3.173 3.202 . 0 0 "[ . 1 . 2]" 1
1684 1 74 PHE HB2 1 83 TYR QE . . 4.220 3.934 3.915 3.956 . 0 0 "[ . 1 . 2]" 1
1685 1 74 PHE HB2 1 84 THR H . . 4.960 4.209 4.163 4.246 . 0 0 "[ . 1 . 2]" 1
1686 1 74 PHE HB3 1 75 SER H . . 4.410 4.418 4.405 4.432 0.022 6 0 "[ . 1 . 2]" 1
1687 1 74 PHE HB3 1 83 TYR HA . . 5.180 4.912 4.880 4.951 . 0 0 "[ . 1 . 2]" 1
1688 1 74 PHE HB3 1 83 TYR QD . . 4.760 4.817 4.808 4.825 0.065 20 0 "[ . 1 . 2]" 1
1689 1 74 PHE HB3 1 83 TYR QE . . 5.030 5.052 5.047 5.058 0.028 8 0 "[ . 1 . 2]" 1
1690 1 74 PHE QD 1 75 SER H . . 3.350 3.301 3.277 3.317 . 0 0 "[ . 1 . 2]" 1
1691 1 74 PHE QD 1 76 ILE MD . . 4.450 4.461 4.455 4.467 0.017 13 0 "[ . 1 . 2]" 1
1692 1 74 PHE QD 1 76 ILE HG12 . . 4.860 4.657 4.642 4.682 . 0 0 "[ . 1 . 2]" 1
1693 1 74 PHE QD 1 76 ILE HG13 . . 4.930 4.265 4.242 4.289 . 0 0 "[ . 1 . 2]" 1
1694 1 74 PHE QD 1 81 GLN HB2 . . 4.790 4.789 4.729 4.806 0.016 17 0 "[ . 1 . 2]" 1
1695 1 74 PHE QD 1 81 GLN HB3 . . 4.250 4.180 4.159 4.204 . 0 0 "[ . 1 . 2]" 1
1696 1 74 PHE QD 1 82 GLU H . . 3.980 4.002 3.997 4.010 0.030 10 0 "[ . 1 . 2]" 1
1697 1 74 PHE QD 1 82 GLU HA . . 5.430 5.055 5.011 5.075 . 0 0 "[ . 1 . 2]" 1
1698 1 74 PHE QD 1 83 TYR H . . 4.530 4.529 4.492 4.537 0.007 4 0 "[ . 1 . 2]" 1
1699 1 74 PHE QD 1 83 TYR HA . . 3.770 2.779 2.740 2.792 . 0 0 "[ . 1 . 2]" 1
1700 1 74 PHE QD 1 83 TYR QB . . 4.140 3.918 3.880 3.932 . 0 0 "[ . 1 . 2]" 1
1701 1 74 PHE QD 1 83 TYR QD . . 3.840 2.887 2.859 2.906 . 0 0 "[ . 1 . 2]" 1
1702 1 74 PHE QD 1 84 THR H . . 4.730 4.681 4.639 4.708 . 0 0 "[ . 1 . 2]" 1
1703 1 74 PHE QE 1 75 SER H . . 4.460 4.277 4.250 4.294 . 0 0 "[ . 1 . 2]" 1
1704 1 74 PHE QE 1 76 ILE HA . . 4.710 4.713 4.698 4.729 0.019 5 0 "[ . 1 . 2]" 1
1705 1 74 PHE QE 1 76 ILE HB . . 4.960 4.825 4.800 4.847 . 0 0 "[ . 1 . 2]" 1
1706 1 74 PHE QE 1 76 ILE MD . . 3.290 2.420 2.408 2.435 . 0 0 "[ . 1 . 2]" 1
1707 1 74 PHE QE 1 76 ILE HG12 . . 4.010 3.134 3.106 3.162 . 0 0 "[ . 1 . 2]" 1
1708 1 74 PHE QE 1 76 ILE HG13 . . 3.920 2.674 2.644 2.699 . 0 0 "[ . 1 . 2]" 1
1709 1 74 PHE QE 1 81 GLN HA . . 4.040 3.796 3.768 3.830 . 0 0 "[ . 1 . 2]" 1
1710 1 74 PHE QE 1 81 GLN HB2 . . 3.540 2.855 2.807 2.879 . 0 0 "[ . 1 . 2]" 1
1711 1 74 PHE QE 1 81 GLN HB3 . . 3.470 2.002 1.993 2.013 . 0 0 "[ . 1 . 2]" 1
1712 1 74 PHE QE 1 81 GLN HG2 . . 4.350 4.231 4.194 4.266 . 0 0 "[ . 1 . 2]" 1
1713 1 74 PHE QE 1 81 GLN HG3 . . 4.710 4.627 4.591 4.689 . 0 0 "[ . 1 . 2]" 1
1714 1 74 PHE QE 1 82 GLU H . . 4.390 3.392 3.364 3.412 . 0 0 "[ . 1 . 2]" 1
1715 1 74 PHE QE 1 83 TYR HA . . 4.760 4.785 4.762 4.797 0.037 2 0 "[ . 1 . 2]" 1
1716 1 74 PHE QE 1 83 TYR QD . . 4.320 3.789 3.743 3.808 . 0 0 "[ . 1 . 2]" 1
1717 1 74 PHE QE 1 83 TYR QE . . 3.620 2.832 2.772 2.873 . 0 0 "[ . 1 . 2]" 1
1718 1 74 PHE QE 1 97 ILE MD . . 4.980 4.642 4.586 4.715 . 0 0 "[ . 1 . 2]" 1
1719 1 74 PHE HZ 1 76 ILE HA . . 5.020 4.441 4.416 4.495 . 0 0 "[ . 1 . 2]" 1
1720 1 74 PHE HZ 1 76 ILE HB . . 4.990 5.053 5.029 5.061 0.071 2 0 "[ . 1 . 2]" 1
1721 1 74 PHE HZ 1 76 ILE MD . . 3.310 2.297 2.287 2.315 . 0 0 "[ . 1 . 2]" 1
1722 1 74 PHE HZ 1 76 ILE HG12 . . 3.950 2.268 2.239 2.282 . 0 0 "[ . 1 . 2]" 1
1723 1 74 PHE HZ 1 76 ILE HG13 . . 3.550 3.167 3.140 3.185 . 0 0 "[ . 1 . 2]" 1
1724 1 74 PHE HZ 1 76 ILE MG . . 4.450 4.214 4.160 4.242 . 0 0 "[ . 1 . 2]" 1
1725 1 74 PHE HZ 1 81 GLN HA . . 4.380 4.070 4.035 4.099 . 0 0 "[ . 1 . 2]" 1
1726 1 74 PHE HZ 1 81 GLN HB2 . . 4.230 4.211 4.154 4.241 0.011 15 0 "[ . 1 . 2]" 1
1727 1 74 PHE HZ 1 81 GLN HB3 . . 4.280 2.579 2.545 2.605 . 0 0 "[ . 1 . 2]" 1
1728 1 74 PHE HZ 1 81 GLN HG2 . . 4.560 3.730 3.661 3.776 . 0 0 "[ . 1 . 2]" 1
1729 1 74 PHE HZ 1 81 GLN HG3 . . 5.200 4.906 4.848 4.988 . 0 0 "[ . 1 . 2]" 1
1730 1 74 PHE HZ 1 82 GLU H . . 4.450 4.501 4.489 4.524 0.074 5 0 "[ . 1 . 2]" 1
1731 1 75 SER H 1 75 SER HB2 . . 3.610 2.487 2.451 2.521 . 0 0 "[ . 1 . 2]" 1
1732 1 75 SER H 1 75 SER HB3 . . 3.800 3.621 3.604 3.640 . 0 0 "[ . 1 . 2]" 1
1733 1 75 SER H 1 76 ILE H . . 4.440 4.496 4.491 4.511 0.071 19 0 "[ . 1 . 2]" 1
1734 1 75 SER H 1 76 ILE HG13 . . 5.170 5.267 5.241 5.284 0.114 4 0 "[ . 1 . 2]" 1
1735 1 75 SER H 1 82 GLU H . . 3.420 3.125 3.095 3.147 . 0 0 "[ . 1 . 2]" 1
1736 1 75 SER H 1 82 GLU HA . . 4.990 4.643 4.637 4.653 . 0 0 "[ . 1 . 2]" 1
1737 1 75 SER H 1 82 GLU HB2 . . 4.730 2.981 2.948 3.133 . 0 0 "[ . 1 . 2]" 1
1738 1 75 SER H 1 82 GLU HB3 . . 4.120 3.492 3.468 3.528 . 0 0 "[ . 1 . 2]" 1
1739 1 75 SER H 1 83 TYR HA . . 3.800 3.797 3.782 3.812 0.012 4 0 "[ . 1 . 2]" 1
1740 1 75 SER H 1 84 THR H . . 4.870 4.934 4.922 4.956 0.086 19 0 "[ . 1 . 2]" 1
1741 1 75 SER HA 1 82 GLU HB2 . . 5.430 4.572 4.542 4.718 . 0 0 "[ . 1 . 2]" 1
1742 1 75 SER HB2 1 76 ILE H . . 4.230 4.246 4.242 4.254 0.024 19 0 "[ . 1 . 2]" 1
1743 1 75 SER HB2 1 82 GLU H . . 4.610 4.114 3.978 4.160 . 0 0 "[ . 1 . 2]" 1
1744 1 75 SER HB2 1 82 GLU HB2 . . 3.860 2.432 2.364 2.461 . 0 0 "[ . 1 . 2]" 1
1745 1 75 SER HB2 1 82 GLU HB3 . . 3.980 3.137 3.117 3.158 . 0 0 "[ . 1 . 2]" 1
1746 1 75 SER HB2 1 82 GLU HG3 . . 5.280 4.695 4.635 4.764 . 0 0 "[ . 1 . 2]" 1
1747 1 75 SER HB3 1 76 ILE H . . 3.400 3.070 3.060 3.099 . 0 0 "[ . 1 . 2]" 1
1748 1 75 SER HB3 1 77 MET ME . . 4.480 4.464 4.224 4.495 0.015 9 0 "[ . 1 . 2]" 1
1749 1 75 SER HB3 1 77 MET QG . . 4.680 4.248 4.172 4.751 0.071 5 0 "[ . 1 . 2]" 1
1750 1 75 SER HB3 1 82 GLU H . . 4.750 4.428 4.300 4.461 . 0 0 "[ . 1 . 2]" 1
1751 1 75 SER HB3 1 82 GLU HB2 . . 4.000 3.105 3.066 3.117 . 0 0 "[ . 1 . 2]" 1
1752 1 75 SER HB3 1 82 GLU HB3 . . 4.360 4.386 4.377 4.407 0.047 19 0 "[ . 1 . 2]" 1
1753 1 75 SER HB3 1 82 GLU HG3 . . 5.470 4.875 4.812 5.010 . 0 0 "[ . 1 . 2]" 1
1754 1 76 ILE H 1 76 ILE HB . . 2.900 2.709 2.695 2.745 . 0 0 "[ . 1 . 2]" 1
1755 1 76 ILE H 1 76 ILE HG13 . . 3.030 2.810 2.804 2.816 . 0 0 "[ . 1 . 2]" 1
1756 1 76 ILE H 1 77 MET H . . 4.450 4.397 4.329 4.412 . 0 0 "[ . 1 . 2]" 1
1757 1 76 ILE H 1 82 GLU H . . 5.010 4.836 4.832 4.845 . 0 0 "[ . 1 . 2]" 1
1758 1 76 ILE HA 1 76 ILE MD . . 3.900 3.671 3.659 3.732 . 0 0 "[ . 1 . 2]" 1
1759 1 76 ILE HA 1 76 ILE HG12 . . 3.670 2.380 2.363 2.464 . 0 0 "[ . 1 . 2]" 1
1760 1 76 ILE HA 1 76 ILE HG13 . . 3.650 3.312 3.288 3.364 . 0 0 "[ . 1 . 2]" 1
1761 1 76 ILE HA 1 76 ILE MG . . 2.920 2.378 2.365 2.403 . 0 0 "[ . 1 . 2]" 1
1762 1 76 ILE HA 1 77 MET H . . 2.500 2.126 2.116 2.152 . 0 0 "[ . 1 . 2]" 1
1763 1 76 ILE HA 1 77 MET HB3 . . 5.380 4.836 4.818 4.934 . 0 0 "[ . 1 . 2]" 1
1764 1 76 ILE HA 1 77 MET QG . . 5.110 3.835 3.681 4.885 . 0 0 "[ . 1 . 2]" 1
1765 1 76 ILE HA 1 81 GLN HA . . 3.170 2.314 2.239 2.337 . 0 0 "[ . 1 . 2]" 1
1766 1 76 ILE HA 1 81 GLN HB3 . . 4.170 3.910 3.859 3.944 . 0 0 "[ . 1 . 2]" 1
1767 1 76 ILE HA 1 81 GLN HG2 . . 4.610 4.184 4.131 4.263 . 0 0 "[ . 1 . 2]" 1
1768 1 76 ILE HA 1 82 GLU H . . 3.590 3.287 3.272 3.320 . 0 0 "[ . 1 . 2]" 1
1769 1 76 ILE HB 1 76 ILE MD . . 2.830 2.652 2.620 2.663 . 0 0 "[ . 1 . 2]" 1
1770 1 76 ILE HB 1 77 MET HA . . 4.970 4.911 4.719 4.943 . 0 0 "[ . 1 . 2]" 1
1771 1 76 ILE HB 1 81 GLN HA . . 5.080 5.082 4.999 5.100 0.020 4 0 "[ . 1 . 2]" 1
1772 1 76 ILE MD 1 81 GLN HA . . 4.170 4.198 4.191 4.223 0.053 5 0 "[ . 1 . 2]" 1
1773 1 76 ILE MD 1 81 GLN HB3 . . 3.770 3.789 3.746 3.799 0.029 17 0 "[ . 1 . 2]" 1
1774 1 76 ILE MD 1 81 GLN HG2 . . 3.870 3.221 3.151 3.307 . 0 0 "[ . 1 . 2]" 1
1775 1 76 ILE HG12 1 76 ILE MG . . 3.180 2.660 2.636 2.672 . 0 0 "[ . 1 . 2]" 1
1776 1 76 ILE HG12 1 81 GLN HA . . 4.290 3.052 3.025 3.077 . 0 0 "[ . 1 . 2]" 1
1777 1 76 ILE HG12 1 81 GLN HB3 . . 3.660 3.042 2.936 3.077 . 0 0 "[ . 1 . 2]" 1
1778 1 76 ILE HG12 1 81 GLN HG2 . . 4.650 3.570 3.467 3.643 . 0 0 "[ . 1 . 2]" 1
1779 1 76 ILE HG12 1 82 GLU H . . 4.960 3.886 3.868 3.918 . 0 0 "[ . 1 . 2]" 1
1780 1 76 ILE HG13 1 81 GLN HA . . 4.580 4.665 4.617 4.694 0.114 14 0 "[ . 1 . 2]" 1
1781 1 76 ILE HG13 1 81 GLN HB3 . . 4.530 4.692 4.599 4.730 0.200 4 0 "[ . 1 . 2]" 1
1782 1 76 ILE HG13 1 81 GLN HG2 . . 5.470 5.246 5.143 5.325 . 0 0 "[ . 1 . 2]" 1
1783 1 76 ILE HG13 1 82 GLU H . . 5.430 5.083 5.042 5.117 . 0 0 "[ . 1 . 2]" 1
1784 1 76 ILE MG 1 77 MET HA . . 3.610 3.663 3.610 3.672 0.062 15 0 "[ . 1 . 2]" 1
1785 1 76 ILE MG 1 78 ASP H . . 3.970 3.905 3.862 3.996 0.026 19 0 "[ . 1 . 2]" 1
1786 1 76 ILE MG 1 81 GLN H . . 5.070 4.791 4.660 4.817 . 0 0 "[ . 1 . 2]" 1
1787 1 76 ILE MG 1 81 GLN HA . . 3.280 3.283 3.229 3.297 0.017 6 0 "[ . 1 . 2]" 1
1788 1 76 ILE MG 1 81 GLN HG2 . . 3.600 3.091 2.917 3.188 . 0 0 "[ . 1 . 2]" 1
1789 1 76 ILE MG 1 82 GLU H . . 5.030 4.855 4.842 4.876 . 0 0 "[ . 1 . 2]" 1
1790 1 77 MET H 1 80 PHE H . . 4.770 3.429 3.401 3.445 . 0 0 "[ . 1 . 2]" 1
1791 1 77 MET H 1 80 PHE QD . . 4.590 4.607 4.593 4.630 0.040 19 0 "[ . 1 . 2]" 1
1792 1 77 MET H 1 81 GLN H . . 4.780 4.798 4.768 4.879 0.099 5 0 "[ . 1 . 2]" 1
1793 1 77 MET H 1 81 GLN HA . . 3.290 3.214 3.178 3.317 0.027 19 0 "[ . 1 . 2]" 1
1794 1 77 MET H 1 82 GLU HB2 . . 5.230 4.888 4.846 4.960 . 0 0 "[ . 1 . 2]" 1
1795 1 77 MET HA 1 77 MET ME . . 4.260 4.168 4.047 4.189 . 0 0 "[ . 1 . 2]" 1
1796 1 77 MET HA 1 77 MET QG . . 3.370 3.377 3.360 3.483 0.113 5 0 "[ . 1 . 2]" 1
1797 1 77 MET HA 1 78 ASP H . . 2.620 2.070 2.012 2.091 . 0 0 "[ . 1 . 2]" 1
1798 1 77 MET HA 1 78 ASP HA . . 4.440 4.285 4.215 4.311 . 0 0 "[ . 1 . 2]" 1
1799 1 77 MET HB2 1 78 ASP H . . 3.680 3.479 3.229 3.523 . 0 0 "[ . 1 . 2]" 1
1800 1 77 MET HB2 1 79 GLU H . . 4.950 4.774 4.719 4.981 0.031 5 0 "[ . 1 . 2]" 1
1801 1 77 MET ME 1 77 MET QG . . 3.140 2.563 2.112 2.621 . 0 0 "[ . 1 . 2]" 1
1802 1 77 MET ME 1 80 PHE QD . . 5.210 4.020 2.511 4.204 . 0 0 "[ . 1 . 2]" 1
1803 1 77 MET ME 1 80 PHE QE . . 4.750 4.738 4.440 4.775 0.025 9 0 "[ . 1 . 2]" 1
1804 1 77 MET ME 1 96 THR MG . . 4.520 4.275 2.499 4.523 0.003 10 0 "[ . 1 . 2]" 1
1805 1 77 MET QG 1 78 ASP H . . 4.620 4.490 4.445 4.499 . 0 0 "[ . 1 . 2]" 1
1806 1 77 MET QG 1 80 PHE HB2 . . 4.040 2.639 2.492 3.749 . 0 0 "[ . 1 . 2]" 1
1807 1 77 MET QG 1 80 PHE QD . . 4.780 2.359 2.280 2.817 . 0 0 "[ . 1 . 2]" 1
1808 1 77 MET QG 1 80 PHE QE . . 4.180 4.203 4.191 4.208 0.028 15 0 "[ . 1 . 2]" 1
1809 1 78 ASP H 1 78 ASP HA . . 2.680 2.245 2.232 2.261 . 0 0 "[ . 1 . 2]" 1
1810 1 78 ASP H 1 78 ASP QB . . 3.250 3.007 2.742 3.271 0.021 5 0 "[ . 1 . 2]" 1
1811 1 78 ASP HA 1 78 ASP QB . . 2.500 2.387 2.385 2.390 . 0 0 "[ . 1 . 2]" 1
1812 1 78 ASP QB 1 79 GLU H . . 2.720 2.104 2.037 2.144 . 0 0 "[ . 1 . 2]" 1
1813 1 78 ASP QB 1 79 GLU QB . . 4.530 3.906 3.732 4.041 . 0 0 "[ . 1 . 2]" 1
1814 1 78 ASP QB 1 79 GLU HG2 . . 3.860 3.613 2.520 4.333 0.473 11 0 "[ . 1 . 2]" 1
1815 1 78 ASP QB 1 79 GLU HG3 . . 3.860 3.339 2.541 4.180 0.320 9 0 "[ . 1 . 2]" 1
1816 1 78 ASP QB 1 80 PHE H . . 3.650 3.704 3.688 3.712 0.062 12 0 "[ . 1 . 2]" 1
1817 1 78 ASP QB 1 80 PHE QD . . 4.280 4.257 4.216 4.282 0.002 5 0 "[ . 1 . 2]" 1
1818 1 78 ASP QB 1 80 PHE QE . . 4.350 3.914 3.815 4.020 . 0 0 "[ . 1 . 2]" 1
1819 1 78 ASP QB 1 80 PHE HZ . . 4.930 4.639 4.453 4.884 . 0 0 "[ . 1 . 2]" 1
1820 1 79 GLU H 1 79 GLU QB . . 3.180 2.829 2.748 2.864 . 0 0 "[ . 1 . 2]" 1
1821 1 79 GLU H 1 80 PHE H . . 2.990 1.988 1.935 2.128 . 0 0 "[ . 1 . 2]" 1
1822 1 79 GLU HA 1 79 GLU HG2 . . 4.010 2.944 2.716 3.496 . 0 0 "[ . 1 . 2]" 1
1823 1 79 GLU HA 1 79 GLU HG3 . . 4.010 3.622 3.477 3.963 . 0 0 "[ . 1 . 2]" 1
1824 1 79 GLU HA 1 80 PHE HA . . 4.820 4.548 4.473 4.562 . 0 0 "[ . 1 . 2]" 1
1825 1 79 GLU HA 1 80 PHE QD . . 5.460 4.721 4.677 4.797 . 0 0 "[ . 1 . 2]" 1
1826 1 79 GLU HA 1 99 ILE MD . . 3.360 2.721 2.610 3.410 0.050 10 0 "[ . 1 . 2]" 1
1827 1 79 GLU QB 1 80 PHE HA . . 4.680 4.191 4.166 4.222 . 0 0 "[ . 1 . 2]" 1
1828 1 79 GLU QB 1 80 PHE QD . . 4.070 2.873 2.803 3.032 . 0 0 "[ . 1 . 2]" 1
1829 1 79 GLU QB 1 80 PHE QE . . 4.520 2.757 2.701 2.879 . 0 0 "[ . 1 . 2]" 1
1830 1 79 GLU QB 1 98 SER HA . . 5.080 4.423 4.378 4.490 . 0 0 "[ . 1 . 2]" 1
1831 1 79 GLU QB 1 98 SER QB . . 5.050 4.100 4.001 4.214 . 0 0 "[ . 1 . 2]" 1
1832 1 79 GLU QB 1 99 ILE H . . 3.960 3.581 3.564 3.590 . 0 0 "[ . 1 . 2]" 1
1833 1 79 GLU QB 1 100 LEU HA . . 4.790 4.274 4.206 4.304 . 0 0 "[ . 1 . 2]" 1
1834 1 79 GLU HG2 1 80 PHE QD . . 5.180 5.522 5.143 5.689 0.509 4 3 "[ +.* 1- . 2]" 1
1835 1 79 GLU HG2 1 80 PHE QE . . 4.890 5.135 4.506 5.412 0.522 11 3 "[ *.- 1+ . 2]" 1
1836 1 79 GLU HG3 1 80 PHE QD . . 5.180 5.020 4.923 5.270 0.090 10 0 "[ . 1 . 2]" 1
1837 1 79 GLU HG3 1 80 PHE QE . . 4.890 4.272 4.222 4.374 . 0 0 "[ . 1 . 2]" 1
1838 1 80 PHE H 1 81 GLN H . . 4.730 4.442 4.417 4.451 . 0 0 "[ . 1 . 2]" 1
1839 1 80 PHE HA 1 81 GLN HA . . 4.780 4.546 4.534 4.557 . 0 0 "[ . 1 . 2]" 1
1840 1 80 PHE HA 1 81 GLN HG2 . . 4.620 4.053 3.926 4.142 . 0 0 "[ . 1 . 2]" 1
1841 1 80 PHE HA 1 81 GLN HG3 . . 4.630 3.563 3.443 3.653 . 0 0 "[ . 1 . 2]" 1
1842 1 80 PHE HA 1 96 THR MG . . 4.700 4.436 4.394 4.484 . 0 0 "[ . 1 . 2]" 1
1843 1 80 PHE HA 1 98 SER HA . . 3.110 2.251 2.198 2.315 . 0 0 "[ . 1 . 2]" 1
1844 1 80 PHE HA 1 98 SER QB . . 4.220 3.962 3.899 4.036 . 0 0 "[ . 1 . 2]" 1
1845 1 80 PHE HA 1 99 ILE HA . . 5.040 5.098 5.068 5.133 0.093 17 0 "[ . 1 . 2]" 1
1846 1 80 PHE HA 1 99 ILE HB . . 5.450 5.256 5.166 5.318 . 0 0 "[ . 1 . 2]" 1
1847 1 80 PHE HA 1 99 ILE MD . . 3.980 3.591 3.488 3.986 0.006 10 0 "[ . 1 . 2]" 1
1848 1 80 PHE HA 1 99 ILE QG . . 3.700 2.387 2.304 2.445 . 0 0 "[ . 1 . 2]" 1
1849 1 80 PHE HA 1 99 ILE MG . . 4.230 3.643 3.023 3.744 . 0 0 "[ . 1 . 2]" 1
1850 1 80 PHE HB2 1 81 GLN H . . 3.550 2.895 2.844 2.920 . 0 0 "[ . 1 . 2]" 1
1851 1 80 PHE HB2 1 82 GLU HG3 . . 4.670 4.106 4.032 4.207 . 0 0 "[ . 1 . 2]" 1
1852 1 80 PHE HB2 1 96 THR HB . . 5.350 5.394 5.384 5.408 0.058 9 0 "[ . 1 . 2]" 1
1853 1 80 PHE HB2 1 96 THR MG . . 3.160 2.816 2.798 2.843 . 0 0 "[ . 1 . 2]" 1
1854 1 80 PHE HB2 1 97 ILE H . . 4.510 4.553 4.547 4.565 0.055 10 0 "[ . 1 . 2]" 1
1855 1 80 PHE HB2 1 98 SER QB . . 4.950 5.001 4.991 5.009 0.059 6 0 "[ . 1 . 2]" 1
1856 1 80 PHE HB3 1 81 GLN H . . 3.530 2.468 2.446 2.484 . 0 0 "[ . 1 . 2]" 1
1857 1 80 PHE HB3 1 97 ILE H . . 4.370 3.855 3.827 3.898 . 0 0 "[ . 1 . 2]" 1
1858 1 80 PHE QD 1 81 GLN H . . 4.300 4.380 4.359 4.386 0.086 20 0 "[ . 1 . 2]" 1
1859 1 80 PHE QD 1 82 GLU HG3 . . 5.390 4.779 4.678 4.931 . 0 0 "[ . 1 . 2]" 1
1860 1 80 PHE QD 1 96 THR MG . . 3.660 3.587 3.529 3.681 0.021 5 0 "[ . 1 . 2]" 1
1861 1 80 PHE QD 1 98 SER H . . 5.200 4.768 4.696 4.853 . 0 0 "[ . 1 . 2]" 1
1862 1 80 PHE QD 1 98 SER HA . . 3.400 2.196 2.133 2.267 . 0 0 "[ . 1 . 2]" 1
1863 1 80 PHE QD 1 98 SER QB . . 3.650 2.440 2.336 2.521 . 0 0 "[ . 1 . 2]" 1
1864 1 80 PHE QD 1 99 ILE H . . 4.140 3.021 2.919 3.094 . 0 0 "[ . 1 . 2]" 1
1865 1 80 PHE QE 1 98 SER QB . . 3.770 3.357 3.279 3.452 . 0 0 "[ . 1 . 2]" 1
1866 1 81 GLN H 1 81 GLN HB2 . . 3.590 2.990 2.954 3.017 . 0 0 "[ . 1 . 2]" 1
1867 1 81 GLN H 1 81 GLN HB3 . . 3.930 3.826 3.812 3.852 . 0 0 "[ . 1 . 2]" 1
1868 1 81 GLN H 1 81 GLN HG2 . . 3.700 3.387 3.310 3.447 . 0 0 "[ . 1 . 2]" 1
1869 1 81 GLN H 1 82 GLU H . . 4.440 4.418 4.389 4.444 0.004 10 0 "[ . 1 . 2]" 1
1870 1 81 GLN H 1 82 GLU HA . . 4.960 4.972 4.956 4.983 0.023 12 0 "[ . 1 . 2]" 1
1871 1 81 GLN H 1 83 TYR QE . . 5.050 4.952 4.926 4.993 . 0 0 "[ . 1 . 2]" 1
1872 1 81 GLN H 1 97 ILE H . . 3.310 2.744 2.709 2.776 . 0 0 "[ . 1 . 2]" 1
1873 1 81 GLN H 1 97 ILE HA . . 4.590 4.594 4.578 4.614 0.024 5 0 "[ . 1 . 2]" 1
1874 1 81 GLN H 1 97 ILE HB . . 4.000 3.375 3.315 3.426 . 0 0 "[ . 1 . 2]" 1
1875 1 81 GLN H 1 97 ILE HG13 . . 4.920 4.624 4.597 4.653 . 0 0 "[ . 1 . 2]" 1
1876 1 81 GLN H 1 99 ILE H . . 4.470 4.518 4.502 4.554 0.084 10 0 "[ . 1 . 2]" 1
1877 1 81 GLN H 1 99 ILE QG . . 4.710 3.546 3.436 3.901 . 0 0 "[ . 1 . 2]" 1
1878 1 81 GLN HA 1 81 GLN HG2 . . 3.630 2.923 2.880 2.982 . 0 0 "[ . 1 . 2]" 1
1879 1 81 GLN HA 1 81 GLN HG3 . . 3.720 3.631 3.590 3.653 . 0 0 "[ . 1 . 2]" 1
1880 1 81 GLN HA 1 82 GLU H . . 2.670 2.183 2.170 2.196 . 0 0 "[ . 1 . 2]" 1
1881 1 81 GLN HA 1 82 GLU HA . . 4.430 4.481 4.477 4.486 0.056 5 0 "[ . 1 . 2]" 1
1882 1 81 GLN HA 1 83 TYR QE . . 4.910 4.925 4.915 4.933 0.023 4 0 "[ . 1 . 2]" 1
1883 1 81 GLN HA 1 96 THR MG . . 4.270 4.314 4.301 4.331 0.061 19 0 "[ . 1 . 2]" 1
1884 1 81 GLN HA 1 97 ILE HB . . 5.260 5.287 5.226 5.320 0.060 12 0 "[ . 1 . 2]" 1
1885 1 81 GLN HB2 1 82 GLU H . . 3.910 3.569 3.528 3.600 . 0 0 "[ . 1 . 2]" 1
1886 1 81 GLN HB2 1 83 TYR QD . . 3.870 3.643 3.578 3.688 . 0 0 "[ . 1 . 2]" 1
1887 1 81 GLN HB2 1 83 TYR QE . . 3.380 2.223 2.200 2.241 . 0 0 "[ . 1 . 2]" 1
1888 1 81 GLN HB2 1 96 THR HA . . 4.570 4.469 4.422 4.517 . 0 0 "[ . 1 . 2]" 1
1889 1 81 GLN HB2 1 96 THR MG . . 4.480 4.516 4.497 4.530 0.050 12 0 "[ . 1 . 2]" 1
1890 1 81 GLN HB2 1 97 ILE MD . . 4.220 3.500 3.413 3.575 . 0 0 "[ . 1 . 2]" 1
1891 1 81 GLN HB2 1 97 ILE MG . . 5.260 4.407 4.333 4.464 . 0 0 "[ . 1 . 2]" 1
1892 1 81 GLN HB3 1 81 GLN QE . . 3.300 3.271 2.762 3.357 0.057 4 0 "[ . 1 . 2]" 1
1893 1 81 GLN HB3 1 81 GLN HG2 . . 2.990 2.458 2.417 2.499 . 0 0 "[ . 1 . 2]" 1
1894 1 81 GLN HB3 1 82 GLU H . . 3.330 2.985 2.942 3.027 . 0 0 "[ . 1 . 2]" 1
1895 1 81 GLN HB3 1 83 TYR QD . . 4.580 4.592 4.580 4.607 0.027 4 0 "[ . 1 . 2]" 1
1896 1 81 GLN HB3 1 83 TYR QE . . 3.350 3.283 3.255 3.309 . 0 0 "[ . 1 . 2]" 1
1897 1 81 GLN HB3 1 97 ILE H . . 4.730 4.752 4.737 4.765 0.035 20 0 "[ . 1 . 2]" 1
1898 1 81 GLN HB3 1 97 ILE MD . . 4.800 4.702 4.603 4.797 . 0 0 "[ . 1 . 2]" 1
1899 1 81 GLN QE 1 97 ILE HB . . 4.820 3.677 2.195 4.859 0.039 11 0 "[ . 1 . 2]" 1
1900 1 81 GLN HG2 1 82 GLU H . . 4.960 4.802 4.782 4.832 . 0 0 "[ . 1 . 2]" 1
1901 1 81 GLN HG2 1 83 TYR QE . . 4.740 4.849 4.785 4.908 0.168 2 0 "[ . 1 . 2]" 1
1902 1 81 GLN HG2 1 97 ILE HB . . 4.240 4.417 4.311 4.506 0.266 14 0 "[ . 1 . 2]" 1
1903 1 81 GLN HG2 1 97 ILE MD . . 5.350 5.299 5.143 5.473 0.123 17 0 "[ . 1 . 2]" 1
1904 1 81 GLN HG2 1 97 ILE MG . . 5.180 5.264 5.143 5.380 0.200 12 0 "[ . 1 . 2]" 1
1905 1 81 GLN HG2 1 99 ILE MD . . 3.780 3.504 2.728 3.597 . 0 0 "[ . 1 . 2]" 1
1906 1 81 GLN HG2 1 99 ILE QG . . 4.190 2.472 2.217 3.399 . 0 0 "[ . 1 . 2]" 1
1907 1 81 GLN HG3 1 83 TYR QE . . 4.290 4.094 4.060 4.138 . 0 0 "[ . 1 . 2]" 1
1908 1 81 GLN HG3 1 99 ILE MD . . 4.190 4.088 3.395 4.188 . 0 0 "[ . 1 . 2]" 1
1909 1 81 GLN HG3 1 99 ILE QG . . 4.240 2.553 2.369 3.361 . 0 0 "[ . 1 . 2]" 1
1910 1 81 GLN HG3 1 99 ILE MG . . 3.400 2.382 2.111 2.512 . 0 0 "[ . 1 . 2]" 1
1911 1 82 GLU H 1 82 GLU HB2 . . 3.360 2.467 2.453 2.533 . 0 0 "[ . 1 . 2]" 1
1912 1 82 GLU H 1 83 TYR H . . 4.630 4.320 4.302 4.332 . 0 0 "[ . 1 . 2]" 1
1913 1 82 GLU H 1 96 THR MG . . 4.780 4.063 4.051 4.072 . 0 0 "[ . 1 . 2]" 1
1914 1 82 GLU HA 1 82 GLU HB3 . . 2.870 2.664 2.653 2.689 . 0 0 "[ . 1 . 2]" 1
1915 1 82 GLU HA 1 82 GLU HG2 . . 3.310 2.418 2.402 2.428 . 0 0 "[ . 1 . 2]" 1
1916 1 82 GLU HA 1 82 GLU HG3 . . 3.400 2.912 2.833 2.934 . 0 0 "[ . 1 . 2]" 1
1917 1 82 GLU HA 1 83 TYR H . . 2.680 2.100 2.075 2.109 . 0 0 "[ . 1 . 2]" 1
1918 1 82 GLU HA 1 83 TYR HA . . 4.450 4.479 4.470 4.484 0.034 10 0 "[ . 1 . 2]" 1
1919 1 82 GLU HA 1 83 TYR QB . . 4.550 4.253 4.216 4.277 . 0 0 "[ . 1 . 2]" 1
1920 1 82 GLU HA 1 83 TYR QD . . 3.950 3.443 3.382 3.497 . 0 0 "[ . 1 . 2]" 1
1921 1 82 GLU HA 1 96 THR HB . . 4.820 4.851 4.844 4.868 0.048 5 0 "[ . 1 . 2]" 1
1922 1 82 GLU HA 1 96 THR MG . . 2.830 2.465 2.456 2.497 . 0 0 "[ . 1 . 2]" 1
1923 1 82 GLU HB2 1 83 TYR H . . 4.560 4.315 4.301 4.338 . 0 0 "[ . 1 . 2]" 1
1924 1 82 GLU HB2 1 84 THR MG . . 4.640 4.445 4.397 4.512 . 0 0 "[ . 1 . 2]" 1
1925 1 82 GLU HB2 1 96 THR MG . . 4.040 4.030 3.947 4.044 0.004 9 0 "[ . 1 . 2]" 1
1926 1 82 GLU HB3 1 84 THR MG . . 4.700 3.147 3.115 3.180 . 0 0 "[ . 1 . 2]" 1
1927 1 82 GLU HB3 1 96 THR MG . . 4.170 4.079 4.067 4.113 . 0 0 "[ . 1 . 2]" 1
1928 1 82 GLU HG2 1 84 THR MG . . 4.750 4.439 4.407 4.445 . 0 0 "[ . 1 . 2]" 1
1929 1 82 GLU HG2 1 96 THR HA . . 4.040 3.834 3.757 3.851 . 0 0 "[ . 1 . 2]" 1
1930 1 82 GLU HG2 1 96 THR HB . . 5.240 4.684 4.631 4.706 . 0 0 "[ . 1 . 2]" 1
1931 1 82 GLU HG2 1 96 THR MG . . 3.540 2.309 2.271 2.364 . 0 0 "[ . 1 . 2]" 1
1932 1 82 GLU HG3 1 96 THR HA . . 4.930 4.365 4.192 4.415 . 0 0 "[ . 1 . 2]" 1
1933 1 82 GLU HG3 1 96 THR MG . . 3.450 2.273 2.127 2.305 . 0 0 "[ . 1 . 2]" 1
1934 1 83 TYR H 1 83 TYR QB . . 3.100 2.468 2.463 2.476 . 0 0 "[ . 1 . 2]" 1
1935 1 83 TYR H 1 83 TYR QD . . 3.310 2.771 2.757 2.792 . 0 0 "[ . 1 . 2]" 1
1936 1 83 TYR H 1 84 THR H . . 4.590 4.389 4.383 4.396 . 0 0 "[ . 1 . 2]" 1
1937 1 83 TYR H 1 94 GLU HA . . 4.930 4.663 4.646 4.681 . 0 0 "[ . 1 . 2]" 1
1938 1 83 TYR H 1 95 ASP H . . 3.400 2.983 2.964 3.009 . 0 0 "[ . 1 . 2]" 1
1939 1 83 TYR H 1 96 THR MG . . 4.070 4.125 4.115 4.141 0.071 5 0 "[ . 1 . 2]" 1
1940 1 83 TYR HA 1 83 TYR QD . . 3.430 2.916 2.907 2.931 . 0 0 "[ . 1 . 2]" 1
1941 1 83 TYR HA 1 83 TYR QE . . 4.620 4.633 4.628 4.641 0.021 19 0 "[ . 1 . 2]" 1
1942 1 83 TYR HA 1 84 THR H . . 2.770 2.224 2.209 2.233 . 0 0 "[ . 1 . 2]" 1
1943 1 83 TYR HA 1 84 THR HA . . 4.600 4.463 4.456 4.468 . 0 0 "[ . 1 . 2]" 1
1944 1 83 TYR HA 1 84 THR MG . . 4.320 3.583 3.563 3.602 . 0 0 "[ . 1 . 2]" 1
1945 1 83 TYR HA 1 95 ASP H . . 4.670 4.694 4.682 4.708 0.038 4 0 "[ . 1 . 2]" 1
1946 1 83 TYR QB 1 84 THR H . . 3.220 3.217 3.209 3.225 0.005 7 0 "[ . 1 . 2]" 1
1947 1 83 TYR QB 1 84 THR HA . . 4.410 3.967 3.960 3.977 . 0 0 "[ . 1 . 2]" 1
1948 1 83 TYR QB 1 85 MET H . . 5.210 5.275 5.270 5.288 0.078 16 0 "[ . 1 . 2]" 1
1949 1 83 TYR QB 1 94 GLU HA . . 3.890 3.953 3.942 3.964 0.074 18 0 "[ . 1 . 2]" 1
1950 1 83 TYR QB 1 95 ASP H . . 3.140 2.762 2.742 2.783 . 0 0 "[ . 1 . 2]" 1
1951 1 83 TYR QB 1 96 THR HA . . 4.570 4.587 4.573 4.593 0.023 9 0 "[ . 1 . 2]" 1
1952 1 83 TYR QB 1 97 ILE MD . . 4.730 4.695 4.602 4.741 0.011 16 0 "[ . 1 . 2]" 1
1953 1 83 TYR QD 1 84 THR H . . 4.170 4.193 4.186 4.201 0.031 1 0 "[ . 1 . 2]" 1
1954 1 83 TYR QD 1 95 ASP H . . 4.650 4.480 4.453 4.495 . 0 0 "[ . 1 . 2]" 1
1955 1 83 TYR QD 1 95 ASP HB3 . . 4.080 3.147 3.076 3.342 . 0 0 "[ . 1 . 2]" 1
1956 1 83 TYR QD 1 96 THR HA . . 4.080 3.335 3.298 3.370 . 0 0 "[ . 1 . 2]" 1
1957 1 83 TYR QD 1 96 THR MG . . 4.810 4.686 4.670 4.716 . 0 0 "[ . 1 . 2]" 1
1958 1 83 TYR QD 1 97 ILE HB . . 4.880 4.732 4.649 4.791 . 0 0 "[ . 1 . 2]" 1
1959 1 83 TYR QD 1 97 ILE MD . . 3.680 3.434 3.353 3.475 . 0 0 "[ . 1 . 2]" 1
1960 1 83 TYR QD 1 97 ILE HG12 . . 4.340 4.278 4.150 4.376 0.036 16 0 "[ . 1 . 2]" 1
1961 1 83 TYR QD 1 97 ILE HG13 . . 4.350 2.816 2.728 2.865 . 0 0 "[ . 1 . 2]" 1
1962 1 83 TYR QE 1 96 THR HA . . 4.870 4.740 4.705 4.774 . 0 0 "[ . 1 . 2]" 1
1963 1 83 TYR QE 1 97 ILE H . . 3.980 4.008 3.997 4.014 0.034 18 0 "[ . 1 . 2]" 1
1964 1 83 TYR QE 1 97 ILE HB . . 3.480 3.338 3.263 3.390 . 0 0 "[ . 1 . 2]" 1
1965 1 83 TYR QE 1 97 ILE MD . . 3.050 2.295 2.240 2.329 . 0 0 "[ . 1 . 2]" 1
1966 1 83 TYR QE 1 97 ILE HG12 . . 4.080 4.076 4.006 4.160 0.080 3 0 "[ . 1 . 2]" 1
1967 1 83 TYR QE 1 97 ILE HG13 . . 3.710 2.524 2.441 2.619 . 0 0 "[ . 1 . 2]" 1
1968 1 83 TYR QE 1 97 ILE MG . . 4.340 4.312 4.240 4.353 0.013 10 0 "[ . 1 . 2]" 1
1969 1 84 THR H 1 84 THR HB . . 4.170 3.999 3.993 4.009 . 0 0 "[ . 1 . 2]" 1
1970 1 84 THR H 1 84 THR MG . . 3.540 2.740 2.730 2.749 . 0 0 "[ . 1 . 2]" 1
1971 1 84 THR H 1 85 MET H . . 4.250 4.319 4.314 4.328 0.078 7 0 "[ . 1 . 2]" 1
1972 1 84 THR H 1 95 ASP H . . 5.160 4.978 4.970 4.990 . 0 0 "[ . 1 . 2]" 1
1973 1 84 THR HA 1 84 THR HB . . 2.740 2.253 2.250 2.256 . 0 0 "[ . 1 . 2]" 1
1974 1 84 THR HA 1 84 THR MG . . 2.820 2.736 2.729 2.742 . 0 0 "[ . 1 . 2]" 1
1975 1 84 THR HA 1 85 MET H . . 2.650 2.163 2.153 2.178 . 0 0 "[ . 1 . 2]" 1
1976 1 84 THR HA 1 85 MET HB2 . . 5.220 4.532 4.499 4.549 . 0 0 "[ . 1 . 2]" 1
1977 1 84 THR HA 1 85 MET HB3 . . 4.640 4.340 4.325 4.359 . 0 0 "[ . 1 . 2]" 1
1978 1 84 THR HA 1 93 ALA MB . . 4.910 4.445 4.360 4.509 . 0 0 "[ . 1 . 2]" 1
1979 1 84 THR HA 1 94 GLU HB2 . . 3.370 3.380 3.375 3.386 0.016 4 0 "[ . 1 . 2]" 1
1980 1 84 THR HA 1 94 GLU HB3 . . 5.000 4.773 4.763 4.782 . 0 0 "[ . 1 . 2]" 1
1981 1 84 THR HB 1 85 MET H . . 3.410 2.999 2.963 3.019 . 0 0 "[ . 1 . 2]" 1
1982 1 84 THR HB 1 94 GLU HA . . 4.190 3.759 3.739 3.776 . 0 0 "[ . 1 . 2]" 1
1983 1 84 THR HB 1 94 GLU HB2 . . 4.210 3.239 3.230 3.250 . 0 0 "[ . 1 . 2]" 1
1984 1 84 THR HB 1 94 GLU HB3 . . 4.940 4.981 4.974 4.990 0.050 9 0 "[ . 1 . 2]" 1
1985 1 84 THR MG 1 94 GLU HA . . 3.910 3.440 3.414 3.462 . 0 0 "[ . 1 . 2]" 1
1986 1 84 THR MG 1 94 GLU HB2 . . 3.700 3.458 3.417 3.488 . 0 0 "[ . 1 . 2]" 1
1987 1 84 THR MG 1 94 GLU HB3 . . 4.630 4.601 4.577 4.621 . 0 0 "[ . 1 . 2]" 1
1988 1 85 MET H 1 85 MET HB2 . . 3.610 3.303 3.276 3.321 . 0 0 "[ . 1 . 2]" 1
1989 1 85 MET H 1 85 MET HB3 . . 3.390 2.688 2.671 2.703 . 0 0 "[ . 1 . 2]" 1
1990 1 85 MET H 1 85 MET QG . . 3.970 4.043 4.036 4.046 0.076 16 0 "[ . 1 . 2]" 1
1991 1 85 MET H 1 86 LEU H . . 4.480 4.315 4.298 4.327 . 0 0 "[ . 1 . 2]" 1
1992 1 85 MET H 1 86 LEU HB2 . . 4.900 4.720 4.680 4.765 . 0 0 "[ . 1 . 2]" 1
1993 1 85 MET H 1 93 ALA H . . 3.190 2.888 2.855 2.924 . 0 0 "[ . 1 . 2]" 1
1994 1 85 MET H 1 93 ALA HA . . 4.810 4.747 4.712 4.790 . 0 0 "[ . 1 . 2]" 1
1995 1 85 MET H 1 93 ALA MB . . 4.050 3.585 3.498 3.666 . 0 0 "[ . 1 . 2]" 1
1996 1 85 MET H 1 94 GLU H . . 4.960 4.920 4.892 4.944 . 0 0 "[ . 1 . 2]" 1
1997 1 85 MET HA 1 85 MET QG . . 3.370 2.479 2.471 2.492 . 0 0 "[ . 1 . 2]" 1
1998 1 85 MET HA 1 86 LEU H . . 2.620 2.108 2.100 2.113 . 0 0 "[ . 1 . 2]" 1
1999 1 85 MET HA 1 86 LEU HB2 . . 5.440 4.275 4.261 4.287 . 0 0 "[ . 1 . 2]" 1
2000 1 85 MET HB2 1 85 MET ME . . 3.740 3.476 3.453 3.510 . 0 0 "[ . 1 . 2]" 1
2001 1 85 MET HB2 1 86 LEU H . . 3.810 3.891 3.887 3.895 0.085 18 0 "[ . 1 . 2]" 1
2002 1 85 MET HB2 1 93 ALA H . . 4.660 4.581 4.544 4.615 . 0 0 "[ . 1 . 2]" 1
2003 1 85 MET HB2 1 93 ALA MB . . 4.710 3.937 3.809 4.019 . 0 0 "[ . 1 . 2]" 1
2004 1 85 MET HB3 1 85 MET ME . . 3.300 2.338 2.308 2.372 . 0 0 "[ . 1 . 2]" 1
2005 1 85 MET HB3 1 93 ALA MB . . 3.570 2.495 2.359 2.575 . 0 0 "[ . 1 . 2]" 1
2006 1 85 MET ME 1 85 MET QG . . 3.180 2.325 2.318 2.338 . 0 0 "[ . 1 . 2]" 1
2007 1 85 MET ME 1 86 LEU HA . . 4.780 4.551 4.535 4.575 . 0 0 "[ . 1 . 2]" 1
2008 1 85 MET ME 1 87 CYS HB3 . . 4.700 3.668 3.601 3.721 . 0 0 "[ . 1 . 2]" 1
2009 1 85 MET ME 1 90 CYS HB2 . . 3.780 3.618 3.544 3.668 . 0 0 "[ . 1 . 2]" 1
2010 1 85 MET ME 1 90 CYS HB3 . . 4.470 3.276 3.196 3.322 . 0 0 "[ . 1 . 2]" 1
2011 1 85 MET ME 1 91 GLY QA . . 4.100 2.768 2.723 2.829 . 0 0 "[ . 1 . 2]" 1
2012 1 85 MET ME 1 92 LYS HA . . 3.630 3.666 3.652 3.674 0.044 6 0 "[ . 1 . 2]" 1
2013 1 85 MET ME 1 93 ALA HA . . 4.630 4.613 4.542 4.634 0.004 9 0 "[ . 1 . 2]" 1
2014 1 85 MET ME 1 93 ALA MB . . 2.900 2.300 2.248 2.332 . 0 0 "[ . 1 . 2]" 1
2015 1 85 MET QG 1 92 LYS HA . . 4.040 3.626 3.580 3.656 . 0 0 "[ . 1 . 2]" 1
2016 1 85 MET QG 1 93 ALA MB . . 4.010 3.976 3.876 4.019 0.009 1 0 "[ . 1 . 2]" 1
2017 1 86 LEU H 1 86 LEU HB3 . . 3.040 2.883 2.873 2.897 . 0 0 "[ . 1 . 2]" 1
2018 1 86 LEU H 1 87 CYS H . . 3.890 3.827 3.818 3.837 . 0 0 "[ . 1 . 2]" 1
2019 1 86 LEU H 1 87 CYS HA . . 4.850 4.896 4.887 4.900 0.050 8 0 "[ . 1 . 2]" 1
2020 1 86 LEU H 1 87 CYS HB3 . . 5.290 4.874 4.845 4.898 . 0 0 "[ . 1 . 2]" 1
2021 1 86 LEU H 1 93 ALA H . . 4.880 4.754 4.728 4.780 . 0 0 "[ . 1 . 2]" 1
2022 1 86 LEU HA 1 86 LEU MD1 . . 2.970 2.297 2.283 2.306 . 0 0 "[ . 1 . 2]" 1
2023 1 86 LEU HA 1 86 LEU MD2 . . 4.060 3.908 3.903 3.913 . 0 0 "[ . 1 . 2]" 1
2024 1 86 LEU HA 1 86 LEU HG . . 3.490 2.697 2.688 2.711 . 0 0 "[ . 1 . 2]" 1
2025 1 86 LEU HA 1 92 LYS HA . . 3.210 2.330 2.317 2.340 . 0 0 "[ . 1 . 2]" 1
2026 1 86 LEU HA 1 92 LYS HB2 . . 4.250 2.945 2.933 2.980 . 0 0 "[ . 1 . 2]" 1
2027 1 86 LEU HA 1 92 LYS HB3 . . 4.360 4.460 4.454 4.475 0.115 6 0 "[ . 1 . 2]" 1
2028 1 86 LEU HA 1 92 LYS HG2 . . 4.430 4.887 4.829 5.033 0.603 17 2 "[ . 1 - . + 2]" 1
2029 1 86 LEU HA 1 92 LYS HG3 . . 4.380 3.536 3.457 3.730 . 0 0 "[ . 1 . 2]" 1
2030 1 86 LEU HA 1 93 ALA H . . 3.920 3.837 3.801 3.868 . 0 0 "[ . 1 . 2]" 1
2031 1 86 LEU HB2 1 86 LEU MD1 . . 2.530 2.239 2.234 2.247 . 0 0 "[ . 1 . 2]" 1
2032 1 86 LEU HB3 1 86 LEU MD1 . . 3.110 3.144 3.141 3.148 0.038 12 0 "[ . 1 . 2]" 1
2033 1 86 LEU HB3 1 86 LEU MD2 . . 2.980 2.234 2.224 2.239 . 0 0 "[ . 1 . 2]" 1
2034 1 86 LEU HB3 1 86 LEU HG . . 2.990 2.621 2.610 2.631 . 0 0 "[ . 1 . 2]" 1
2035 1 86 LEU HB3 1 87 CYS H . . 4.520 4.372 4.364 4.377 . 0 0 "[ . 1 . 2]" 1
2036 1 86 LEU HB3 1 92 LYS HA . . 5.120 5.167 5.157 5.176 0.056 16 0 "[ . 1 . 2]" 1
2037 1 86 LEU MD1 1 87 CYS H . . 3.930 3.738 3.708 3.755 . 0 0 "[ . 1 . 2]" 1
2038 1 86 LEU MD1 1 92 LYS H . . 4.830 4.846 4.840 4.855 0.025 4 0 "[ . 1 . 2]" 1
2039 1 86 LEU MD1 1 92 LYS HA . . 3.790 3.127 3.068 3.150 . 0 0 "[ . 1 . 2]" 1
2040 1 86 LEU MD1 1 92 LYS HB2 . . 3.450 2.121 2.115 2.134 . 0 0 "[ . 1 . 2]" 1
2041 1 86 LEU MD1 1 92 LYS HB3 . . 3.610 3.570 3.552 3.612 0.002 12 0 "[ . 1 . 2]" 1
2042 1 86 LEU MD1 1 93 ALA H . . 5.000 4.416 4.331 4.467 . 0 0 "[ . 1 . 2]" 1
2043 1 86 LEU HG 1 87 CYS H . . 3.360 3.409 3.402 3.414 0.054 17 0 "[ . 1 . 2]" 1
2044 1 86 LEU HG 1 87 CYS HA . . 4.310 4.032 3.989 4.061 . 0 0 "[ . 1 . 2]" 1
2045 1 87 CYS H 1 87 CYS HB2 . . 3.490 3.303 3.295 3.310 . 0 0 "[ . 1 . 2]" 1
2046 1 87 CYS H 1 87 CYS HB3 . . 3.380 2.687 2.663 2.697 . 0 0 "[ . 1 . 2]" 1
2047 1 87 CYS H 1 88 LEU H . . 4.250 4.275 4.271 4.277 0.027 18 0 "[ . 1 . 2]" 1
2048 1 87 CYS H 1 89 LEU H . . 5.190 5.182 5.167 5.193 0.003 4 0 "[ . 1 . 2]" 1
2049 1 87 CYS H 1 92 LYS H . . 5.050 4.359 4.347 4.379 . 0 0 "[ . 1 . 2]" 1
2050 1 87 CYS HA 1 88 LEU H . . 2.930 2.188 2.181 2.194 . 0 0 "[ . 1 . 2]" 1
2051 1 87 CYS HA 1 89 LEU H . . 3.940 3.945 3.939 3.950 0.010 7 0 "[ . 1 . 2]" 1
2052 1 87 CYS HA 1 90 CYS H . . 5.050 4.766 4.751 4.781 . 0 0 "[ . 1 . 2]" 1
2053 1 87 CYS HA 1 90 CYS HB2 . . 4.900 4.829 4.821 4.834 . 0 0 "[ . 1 . 2]" 1
2054 1 87 CYS HA 1 91 GLY H . . 4.410 4.271 4.259 4.279 . 0 0 "[ . 1 . 2]" 1
2055 1 87 CYS HB2 1 88 LEU H . . 4.540 4.121 4.105 4.141 . 0 0 "[ . 1 . 2]" 1
2056 1 87 CYS HB2 1 89 LEU H . . 4.530 4.467 4.453 4.485 . 0 0 "[ . 1 . 2]" 1
2057 1 87 CYS HB2 1 90 CYS H . . 4.280 3.897 3.876 3.920 . 0 0 "[ . 1 . 2]" 1
2058 1 87 CYS HB2 1 90 CYS HB2 . . 4.330 2.886 2.876 2.905 . 0 0 "[ . 1 . 2]" 1
2059 1 87 CYS HB2 1 90 CYS HB3 . . 4.460 4.506 4.502 4.510 0.050 9 0 "[ . 1 . 2]" 1
2060 1 87 CYS HB2 1 91 GLY H . . 3.630 3.662 3.656 3.667 0.037 8 0 "[ . 1 . 2]" 1
2061 1 87 CYS HB3 1 88 LEU H . . 4.370 4.136 4.128 4.159 . 0 0 "[ . 1 . 2]" 1
2062 1 87 CYS HB3 1 90 CYS HB2 . . 4.010 2.084 2.073 2.100 . 0 0 "[ . 1 . 2]" 1
2063 1 87 CYS HB3 1 90 CYS HB3 . . 4.020 3.633 3.625 3.642 . 0 0 "[ . 1 . 2]" 1
2064 1 88 LEU H 1 88 LEU MD1 . . 4.260 4.274 4.272 4.276 0.016 13 0 "[ . 1 . 2]" 1
2065 1 88 LEU H 1 88 LEU HG . . 4.550 4.367 4.358 4.376 . 0 0 "[ . 1 . 2]" 1
2066 1 88 LEU H 1 89 LEU H . . 3.540 2.698 2.689 2.704 . 0 0 "[ . 1 . 2]" 1
2067 1 88 LEU H 1 90 CYS H . . 5.360 4.590 4.571 4.612 . 0 0 "[ . 1 . 2]" 1
2068 1 88 LEU HA 1 88 LEU MD1 . . 3.120 2.275 2.268 2.281 . 0 0 "[ . 1 . 2]" 1
2069 1 88 LEU HA 1 88 LEU MD2 . . 4.040 3.960 3.953 3.967 . 0 0 "[ . 1 . 2]" 1
2070 1 88 LEU HA 1 88 LEU HG . . 3.310 3.320 3.316 3.323 0.013 5 0 "[ . 1 . 2]" 1
2071 1 88 LEU QB 1 88 LEU MD1 . . 2.810 2.382 2.378 2.386 . 0 0 "[ . 1 . 2]" 1
2072 1 88 LEU QB 1 88 LEU MD2 . . 2.920 2.153 2.143 2.160 . 0 0 "[ . 1 . 2]" 1
2073 1 88 LEU QB 1 89 LEU H . . 3.250 2.891 2.876 2.904 . 0 0 "[ . 1 . 2]" 1
2074 1 88 LEU QB 1 89 LEU HA . . 4.680 4.627 4.616 4.633 . 0 0 "[ . 1 . 2]" 1
2075 1 88 LEU QB 1 89 LEU HB3 . . 4.550 4.501 4.486 4.526 . 0 0 "[ . 1 . 2]" 1
2076 1 88 LEU HG 1 89 LEU HA . . 5.460 3.852 3.835 3.862 . 0 0 "[ . 1 . 2]" 1
2077 1 89 LEU H 1 89 LEU HB2 . . 3.090 2.928 2.922 2.938 . 0 0 "[ . 1 . 2]" 1
2078 1 89 LEU H 1 89 LEU HB3 . . 2.670 2.302 2.295 2.307 . 0 0 "[ . 1 . 2]" 1
2079 1 89 LEU H 1 89 LEU MD2 . . 4.290 4.289 4.284 4.294 0.004 7 0 "[ . 1 . 2]" 1
2080 1 89 LEU H 1 89 LEU HG . . 4.260 4.255 4.250 4.261 0.001 11 0 "[ . 1 . 2]" 1
2081 1 89 LEU H 1 90 CYS H . . 3.080 2.475 2.458 2.496 . 0 0 "[ . 1 . 2]" 1
2082 1 89 LEU H 1 90 CYS HB2 . . 4.570 4.483 4.463 4.503 . 0 0 "[ . 1 . 2]" 1
2083 1 89 LEU H 1 91 GLY H . . 4.120 3.705 3.692 3.744 . 0 0 "[ . 1 . 2]" 1
2084 1 89 LEU HA 1 89 LEU MD1 . . 3.020 2.143 2.134 2.179 . 0 0 "[ . 1 . 2]" 1
2085 1 89 LEU HA 1 89 LEU MD2 . . 4.070 3.903 3.898 3.909 . 0 0 "[ . 1 . 2]" 1
2086 1 89 LEU HA 1 89 LEU HG . . 3.860 3.324 3.315 3.334 . 0 0 "[ . 1 . 2]" 1
2087 1 89 LEU HB2 1 89 LEU MD2 . . 3.010 2.394 2.387 2.418 . 0 0 "[ . 1 . 2]" 1
2088 1 89 LEU HB2 1 90 CYS H . . 3.600 3.676 3.672 3.682 0.082 9 0 "[ . 1 . 2]" 1
2089 1 89 LEU HB3 1 89 LEU MD1 . . 3.250 3.241 3.238 3.247 . 0 0 "[ . 1 . 2]" 1
2090 1 89 LEU HB3 1 90 CYS H . . 3.040 2.180 2.174 2.188 . 0 0 "[ . 1 . 2]" 1
2091 1 89 LEU HB3 1 91 GLY H . . 5.060 4.783 4.768 4.816 . 0 0 "[ . 1 . 2]" 1
2092 1 89 LEU MD1 1 90 CYS HA . . 3.890 3.945 3.934 3.952 0.062 19 0 "[ . 1 . 2]" 1
2093 1 89 LEU MD2 1 90 CYS H . . 3.710 3.647 3.632 3.660 . 0 0 "[ . 1 . 2]" 1
2094 1 89 LEU MD2 1 90 CYS HA . . 4.330 4.364 4.358 4.370 0.040 13 0 "[ . 1 . 2]" 1
2095 1 89 LEU HG 1 90 CYS H . . 3.620 2.868 2.848 2.885 . 0 0 "[ . 1 . 2]" 1
2096 1 90 CYS H 1 90 CYS HB2 . . 3.480 2.425 2.400 2.437 . 0 0 "[ . 1 . 2]" 1
2097 1 90 CYS H 1 90 CYS HB3 . . 3.710 3.539 3.530 3.544 . 0 0 "[ . 1 . 2]" 1
2098 1 90 CYS H 1 91 GLY H . . 3.250 2.830 2.816 2.838 . 0 0 "[ . 1 . 2]" 1
2099 1 90 CYS HB2 1 91 GLY H . . 3.600 2.809 2.761 2.838 . 0 0 "[ . 1 . 2]" 1
2100 1 91 GLY H 1 92 LYS H . . 4.610 4.437 4.426 4.443 . 0 0 "[ . 1 . 2]" 1
2101 1 91 GLY QA 1 92 LYS H . . 2.910 2.188 2.176 2.196 . 0 0 "[ . 1 . 2]" 1
2102 1 91 GLY QA 1 92 LYS HB3 . . 4.850 4.148 4.017 4.193 . 0 0 "[ . 1 . 2]" 1
2103 1 92 LYS H 1 92 LYS HB2 . . 3.120 3.160 3.152 3.166 0.046 19 0 "[ . 1 . 2]" 1
2104 1 92 LYS H 1 92 LYS HB3 . . 3.030 2.484 2.363 2.519 . 0 0 "[ . 1 . 2]" 1
2105 1 92 LYS H 1 93 ALA H . . 4.530 4.300 4.275 4.340 . 0 0 "[ . 1 . 2]" 1
2106 1 92 LYS HA 1 92 LYS HG2 . . 3.550 3.257 3.199 3.342 . 0 0 "[ . 1 . 2]" 1
2107 1 92 LYS HA 1 92 LYS HG3 . . 3.580 2.675 2.633 2.849 . 0 0 "[ . 1 . 2]" 1
2108 1 92 LYS HA 1 93 ALA HA . . 5.260 4.395 4.388 4.404 . 0 0 "[ . 1 . 2]" 1
2109 1 92 LYS HA 1 93 ALA MB . . 4.040 3.922 3.902 3.939 . 0 0 "[ . 1 . 2]" 1
2110 1 92 LYS HB3 1 93 ALA H . . 4.410 4.407 4.383 4.428 0.018 17 0 "[ . 1 . 2]" 1
2111 1 92 LYS HB3 1 93 ALA MB . . 5.460 5.232 5.216 5.264 . 0 0 "[ . 1 . 2]" 1
2112 1 92 LYS HG2 1 93 ALA HA . . 3.890 3.672 3.625 3.691 . 0 0 "[ . 1 . 2]" 1
2113 1 93 ALA H 1 93 ALA MB . . 3.170 2.611 2.597 2.622 . 0 0 "[ . 1 . 2]" 1
2114 1 93 ALA H 1 94 GLU H . . 4.640 4.474 4.467 4.479 . 0 0 "[ . 1 . 2]" 1
2115 1 93 ALA H 1 94 GLU HA . . 5.150 5.020 5.011 5.035 . 0 0 "[ . 1 . 2]" 1
2116 1 93 ALA HA 1 94 GLU H . . 2.710 2.348 2.336 2.359 . 0 0 "[ . 1 . 2]" 1
2117 1 93 ALA HA 1 94 GLU HA . . 4.610 4.545 4.536 4.555 . 0 0 "[ . 1 . 2]" 1
2118 1 93 ALA HA 1 94 GLU HB2 . . 4.730 4.475 4.427 4.514 . 0 0 "[ . 1 . 2]" 1
2119 1 93 ALA HA 1 94 GLU HB3 . . 4.650 4.399 4.350 4.436 . 0 0 "[ . 1 . 2]" 1
2120 1 93 ALA MB 1 94 GLU H . . 2.990 2.598 2.579 2.610 . 0 0 "[ . 1 . 2]" 1
2121 1 93 ALA MB 1 94 GLU HA . . 4.270 3.925 3.883 3.963 . 0 0 "[ . 1 . 2]" 1
2122 1 94 GLU H 1 94 GLU HB3 . . 3.710 2.869 2.822 2.902 . 0 0 "[ . 1 . 2]" 1
2123 1 94 GLU H 1 95 ASP H . . 4.260 4.271 4.254 4.283 0.023 4 0 "[ . 1 . 2]" 1
2124 1 94 GLU HA 1 95 ASP H . . 2.620 2.193 2.179 2.204 . 0 0 "[ . 1 . 2]" 1
2125 1 94 GLU HB3 1 95 ASP H . . 4.330 4.149 4.134 4.161 . 0 0 "[ . 1 . 2]" 1
2126 1 94 GLU HB3 1 95 ASP HA . . 4.860 4.897 4.891 4.904 0.044 5 0 "[ . 1 . 2]" 1
2127 1 95 ASP H 1 95 ASP HB2 . . 3.580 3.085 3.043 3.193 . 0 0 "[ . 1 . 2]" 1
2128 1 95 ASP H 1 96 THR H . . 4.370 4.421 4.416 4.425 0.055 6 0 "[ . 1 . 2]" 1
2129 1 95 ASP H 1 96 THR HA . . 4.790 4.797 4.792 4.804 0.014 16 0 "[ . 1 . 2]" 1
2130 1 95 ASP HA 1 95 ASP HB2 . . 2.830 2.653 2.545 2.686 . 0 0 "[ . 1 . 2]" 1
2131 1 95 ASP HA 1 96 THR H . . 2.440 2.340 2.337 2.343 . 0 0 "[ . 1 . 2]" 1
2132 1 95 ASP HA 1 96 THR HA . . 4.650 4.502 4.497 4.511 . 0 0 "[ . 1 . 2]" 1
2133 1 95 ASP HA 1 96 THR HB . . 5.030 5.042 5.036 5.052 0.022 6 0 "[ . 1 . 2]" 1
2134 1 95 ASP HB3 1 96 THR HA . . 4.920 4.294 4.228 4.518 . 0 0 "[ . 1 . 2]" 1
2135 1 96 THR H 1 96 THR HB . . 3.070 3.103 3.097 3.107 0.037 15 0 "[ . 1 . 2]" 1
2136 1 96 THR H 1 96 THR MG . . 4.030 4.041 4.038 4.045 0.015 4 0 "[ . 1 . 2]" 1
2137 1 96 THR H 1 97 ILE H . . 4.450 4.338 4.325 4.357 . 0 0 "[ . 1 . 2]" 1
2138 1 96 THR H 1 97 ILE HA . . 5.140 4.848 4.832 4.893 . 0 0 "[ . 1 . 2]" 1
2139 1 96 THR H 1 97 ILE HG13 . . 5.060 4.597 4.541 4.695 . 0 0 "[ . 1 . 2]" 1
2140 1 96 THR HA 1 96 THR HB . . 2.990 2.998 2.996 3.001 0.011 13 0 "[ . 1 . 2]" 1
2141 1 96 THR HA 1 96 THR MG . . 2.890 2.227 2.216 2.244 . 0 0 "[ . 1 . 2]" 1
2142 1 96 THR HA 1 97 ILE H . . 2.540 2.185 2.176 2.197 . 0 0 "[ . 1 . 2]" 1
2143 1 96 THR HA 1 97 ILE HA . . 4.500 4.481 4.473 4.486 . 0 0 "[ . 1 . 2]" 1
2144 1 96 THR HA 1 97 ILE HB . . 5.160 4.776 4.720 4.829 . 0 0 "[ . 1 . 2]" 1
2145 1 96 THR HA 1 97 ILE MD . . 4.950 4.924 4.902 4.948 . 0 0 "[ . 1 . 2]" 1
2146 1 96 THR HA 1 97 ILE HG12 . . 4.610 4.407 4.317 4.506 . 0 0 "[ . 1 . 2]" 1
2147 1 96 THR HA 1 97 ILE HG13 . . 4.750 3.452 3.423 3.489 . 0 0 "[ . 1 . 2]" 1
2148 1 96 THR HA 1 97 ILE MG . . 5.400 5.421 5.410 5.429 0.029 4 0 "[ . 1 . 2]" 1
2149 1 96 THR HB 1 97 ILE H . . 3.860 3.846 3.811 3.866 0.006 8 0 "[ . 1 . 2]" 1
2150 1 96 THR HB 1 97 ILE HA . . 4.700 4.671 4.645 4.697 . 0 0 "[ . 1 . 2]" 1
2151 1 96 THR MG 1 97 ILE H . . 3.000 2.479 2.457 2.501 . 0 0 "[ . 1 . 2]" 1
2152 1 96 THR MG 1 97 ILE HA . . 4.210 4.203 4.188 4.223 0.013 6 0 "[ . 1 . 2]" 1
2153 1 97 ILE H 1 97 ILE HG12 . . 3.620 3.542 3.475 3.621 0.001 16 0 "[ . 1 . 2]" 1
2154 1 97 ILE H 1 97 ILE HG13 . . 3.580 2.558 2.525 2.587 . 0 0 "[ . 1 . 2]" 1
2155 1 97 ILE H 1 98 SER H . . 4.470 4.398 4.359 4.437 . 0 0 "[ . 1 . 2]" 1
2156 1 97 ILE HA 1 97 ILE MD . . 3.950 3.934 3.905 3.948 . 0 0 "[ . 1 . 2]" 1
2157 1 97 ILE HA 1 97 ILE HG12 . . 3.260 2.726 2.685 2.768 . 0 0 "[ . 1 . 2]" 1
2158 1 97 ILE HA 1 97 ILE HG13 . . 3.450 3.407 3.346 3.446 . 0 0 "[ . 1 . 2]" 1
2159 1 97 ILE HA 1 97 ILE MG . . 2.840 2.290 2.264 2.307 . 0 0 "[ . 1 . 2]" 1
2160 1 97 ILE HA 1 98 SER H . . 2.400 2.198 2.161 2.224 . 0 0 "[ . 1 . 2]" 1
2161 1 97 ILE HA 1 98 SER QB . . 5.150 4.587 4.532 4.615 . 0 0 "[ . 1 . 2]" 1
2162 1 97 ILE HA 1 106 GLN QG . . 5.420 4.010 3.610 5.379 . 0 0 "[ . 1 . 2]" 1
2163 1 97 ILE HB 1 97 ILE MD . . 3.150 2.521 2.501 2.552 . 0 0 "[ . 1 . 2]" 1
2164 1 97 ILE HB 1 98 SER H . . 3.950 4.046 4.029 4.071 0.121 16 0 "[ . 1 . 2]" 1
2165 1 97 ILE HB 1 98 SER HA . . 5.410 4.788 4.756 4.812 . 0 0 "[ . 1 . 2]" 1
2166 1 97 ILE HB 1 99 ILE MG . . 3.640 2.998 2.794 3.141 . 0 0 "[ . 1 . 2]" 1
2167 1 97 ILE HB 1 106 GLN QG . . 4.300 4.257 3.369 4.353 0.053 8 0 "[ . 1 . 2]" 1
2168 1 97 ILE MD 1 106 GLN QG . . 4.040 3.863 2.915 4.059 0.019 17 0 "[ . 1 . 2]" 1
2169 1 97 ILE HG12 1 97 ILE MG . . 2.840 2.484 2.439 2.559 . 0 0 "[ . 1 . 2]" 1
2170 1 97 ILE HG12 1 106 GLN QG . . 4.900 4.628 4.585 5.005 0.105 10 0 "[ . 1 . 2]" 1
2171 1 97 ILE HG13 1 97 ILE MG . . 3.250 3.233 3.223 3.241 . 0 0 "[ . 1 . 2]" 1
2172 1 97 ILE MG 1 98 SER H . . 3.130 2.647 2.588 2.678 . 0 0 "[ . 1 . 2]" 1
2173 1 97 ILE MG 1 98 SER QB . . 4.530 4.520 4.485 4.543 0.013 10 0 "[ . 1 . 2]" 1
2174 1 97 ILE MG 1 99 ILE HA . . 4.420 4.282 4.136 4.428 0.008 8 0 "[ . 1 . 2]" 1
2175 1 97 ILE MG 1 106 GLN QG . . 3.700 1.981 1.929 2.291 . 0 0 "[ . 1 . 2]" 1
2176 1 98 SER HA 1 99 ILE QG . . 4.420 3.631 3.567 3.697 . 0 0 "[ . 1 . 2]" 1
2177 1 98 SER HA 1 99 ILE MG . . 4.330 3.713 3.402 3.806 . 0 0 "[ . 1 . 2]" 1
2178 1 98 SER QB 1 99 ILE H . . 3.590 3.054 2.958 3.134 . 0 0 "[ . 1 . 2]" 1
2179 1 99 ILE HA 1 100 LEU H . . 2.550 2.537 2.402 2.572 0.022 6 0 "[ . 1 . 2]" 1
2180 1 99 ILE HA 1 100 LEU HA . . 4.630 4.570 4.527 4.600 . 0 0 "[ . 1 . 2]" 1
2181 1 99 ILE HA 1 100 LEU HB2 . . 4.650 4.154 4.082 4.276 . 0 0 "[ . 1 . 2]" 1
2182 1 99 ILE HA 1 104 PRO HD2 . . 4.140 3.667 3.290 3.960 . 0 0 "[ . 1 . 2]" 1
2183 1 99 ILE HA 1 106 GLN QG . . 4.530 4.154 3.954 4.555 0.025 10 0 "[ . 1 . 2]" 1
2184 1 99 ILE HB 1 99 ILE MD . . 3.000 2.404 2.336 2.453 . 0 0 "[ . 1 . 2]" 1
2185 1 99 ILE HB 1 100 LEU H . . 3.360 2.043 1.855 2.447 . 0 0 "[ . 1 . 2]" 1
2186 1 99 ILE HB 1 100 LEU HA . . 4.530 4.525 4.425 4.553 0.023 3 0 "[ . 1 . 2]" 1
2187 1 99 ILE MD 1 100 LEU HA . . 4.470 3.446 3.314 4.498 0.028 10 0 "[ . 1 . 2]" 1
2188 1 99 ILE QG 1 99 ILE MG . . 2.770 2.085 2.070 2.196 . 0 0 "[ . 1 . 2]" 1
2189 1 100 LEU H 1 100 LEU HB2 . . 2.670 2.475 2.421 2.544 . 0 0 "[ . 1 . 2]" 1
2190 1 100 LEU H 1 100 LEU QD . . 4.250 3.613 2.952 3.766 . 0 0 "[ . 1 . 2]" 1
2191 1 100 LEU H 1 104 PRO HD2 . . 3.510 2.219 2.033 2.807 . 0 0 "[ . 1 . 2]" 1
2192 1 100 LEU H 1 104 PRO QG . . 4.440 2.862 2.422 3.190 . 0 0 "[ . 1 . 2]" 1
2193 1 100 LEU HA 1 100 LEU MD1 . . 3.840 3.767 2.131 3.921 0.081 10 0 "[ . 1 . 2]" 1
2194 1 100 LEU HA 1 100 LEU QD . . 2.900 2.175 2.098 2.744 . 0 0 "[ . 1 . 2]" 1
2195 1 100 LEU HA 1 100 LEU MD2 . . 3.840 2.289 2.148 3.806 . 0 0 "[ . 1 . 2]" 1
2196 1 100 LEU HA 1 100 LEU HG . . 3.720 3.062 2.484 3.748 0.028 16 0 "[ . 1 . 2]" 1
2197 1 100 LEU HA 1 101 PRO HB3 . . 5.040 5.034 4.967 5.060 0.020 5 0 "[ . 1 . 2]" 1
2198 1 100 LEU HA 1 101 PRO HD2 . . 2.830 2.526 2.466 2.577 . 0 0 "[ . 1 . 2]" 1
2199 1 100 LEU HA 1 101 PRO HD3 . . 2.730 2.613 2.516 2.677 . 0 0 "[ . 1 . 2]" 1
2200 1 100 LEU HA 1 101 PRO QG . . 4.250 4.211 4.152 4.253 0.003 5 0 "[ . 1 . 2]" 1
2201 1 100 LEU HA 1 102 ASP H . . 4.190 4.137 4.014 4.210 0.020 6 0 "[ . 1 . 2]" 1
2202 1 100 LEU HB2 1 101 PRO HD2 . . 3.770 3.748 3.690 3.855 0.085 10 0 "[ . 1 . 2]" 1
2203 1 100 LEU HB2 1 104 PRO HD2 . . 3.980 3.199 2.907 3.778 . 0 0 "[ . 1 . 2]" 1
2204 1 100 LEU HB3 1 100 LEU MD1 . . 3.410 2.429 2.364 3.249 . 0 0 "[ . 1 . 2]" 1
2205 1 100 LEU HB3 1 100 LEU QD . . 2.680 2.151 2.127 2.439 . 0 0 "[ . 1 . 2]" 1
2206 1 100 LEU HB3 1 100 LEU MD2 . . 3.410 2.441 2.245 3.226 . 0 0 "[ . 1 . 2]" 1
2207 1 100 LEU HB3 1 101 PRO HD2 . . 3.190 2.181 2.114 2.321 . 0 0 "[ . 1 . 2]" 1
2208 1 100 LEU HB3 1 101 PRO HD3 . . 4.200 3.672 3.629 3.758 . 0 0 "[ . 1 . 2]" 1
2209 1 100 LEU HB3 1 102 ASP H . . 3.820 2.573 2.387 2.839 . 0 0 "[ . 1 . 2]" 1
2210 1 100 LEU HB3 1 103 ASP H . . 4.580 4.385 4.145 4.651 0.071 6 0 "[ . 1 . 2]" 1
2211 1 100 LEU QD 1 101 PRO HD2 . . 4.010 2.537 2.399 3.191 . 0 0 "[ . 1 . 2]" 1
2212 1 100 LEU QD 1 101 PRO HD3 . . 4.610 3.399 3.258 4.285 . 0 0 "[ . 1 . 2]" 1
2213 1 100 LEU QD 1 104 PRO HD2 . . 5.190 4.410 4.135 4.758 . 0 0 "[ . 1 . 2]" 1
2214 1 100 LEU QD 1 104 PRO QG . . 4.530 2.731 2.365 3.269 . 0 0 "[ . 1 . 2]" 1
2215 1 100 LEU MD1 1 104 PRO QG . . 5.200 2.881 2.498 4.753 . 0 0 "[ . 1 . 2]" 1
2216 1 100 LEU MD2 1 104 PRO QG . . 5.200 4.425 2.371 5.096 . 0 0 "[ . 1 . 2]" 1
2217 1 100 LEU HG 1 101 PRO HD3 . . 5.080 5.327 3.920 5.442 0.362 5 0 "[ . 1 . 2]" 1
2218 1 101 PRO HB2 1 102 ASP H . . 3.840 3.784 3.712 3.829 . 0 0 "[ . 1 . 2]" 1
2219 1 101 PRO QG 1 102 ASP H . . 3.910 2.910 2.810 3.072 . 0 0 "[ . 1 . 2]" 1
2220 1 102 ASP H 1 102 ASP QB . . 2.970 2.237 2.183 2.356 . 0 0 "[ . 1 . 2]" 1
2221 1 102 ASP H 1 103 ASP H . . 3.360 2.664 2.605 2.776 . 0 0 "[ . 1 . 2]" 1
2222 1 102 ASP H 1 103 ASP HA . . 4.920 4.785 4.711 4.907 . 0 0 "[ . 1 . 2]" 1
2223 1 102 ASP H 1 104 PRO HD2 . . 4.760 4.567 4.322 5.342 0.582 16 1 "[ . 1 .+ 2]" 1
2224 1 102 ASP HA 1 103 ASP H . . 3.520 3.330 3.290 3.374 . 0 0 "[ . 1 . 2]" 1
2225 1 102 ASP QB 1 103 ASP H . . 4.030 3.380 3.294 3.475 . 0 0 "[ . 1 . 2]" 1
2226 1 102 ASP QB 1 104 PRO QB . . 4.970 3.945 3.682 4.325 . 0 0 "[ . 1 . 2]" 1
2227 1 103 ASP H 1 103 ASP HB2 . . 3.920 2.928 2.865 3.026 . 0 0 "[ . 1 . 2]" 1
2228 1 103 ASP H 1 103 ASP QB . . 3.060 2.800 2.749 2.875 . 0 0 "[ . 1 . 2]" 1
2229 1 103 ASP H 1 103 ASP HB3 . . 3.920 3.565 3.521 3.660 . 0 0 "[ . 1 . 2]" 1
2230 1 103 ASP HA 1 104 PRO HD2 . . 3.220 2.343 2.135 2.461 . 0 0 "[ . 1 . 2]" 1
2231 1 103 ASP HA 1 104 PRO HD3 . . 3.070 3.137 2.734 3.299 0.229 13 0 "[ . 1 . 2]" 1
2232 1 103 ASP HA 1 104 PRO QG . . 4.860 4.155 3.988 4.254 . 0 0 "[ . 1 . 2]" 1
2233 1 103 ASP HA 1 105 ARG H . . 4.300 3.401 3.212 3.705 . 0 0 "[ . 1 . 2]" 1
2234 1 103 ASP QB 1 104 PRO HD3 . . 4.500 4.444 4.372 4.524 0.024 18 0 "[ . 1 . 2]" 1
2235 1 103 ASP QB 1 105 ARG H . . 5.340 4.854 4.489 5.266 . 0 0 "[ . 1 . 2]" 1
2236 1 103 ASP HB2 1 104 PRO HD2 . . 4.940 4.711 4.546 4.808 . 0 0 "[ . 1 . 2]" 1
2237 1 103 ASP HB2 1 104 PRO HD3 . . 5.180 5.016 4.882 5.114 . 0 0 "[ . 1 . 2]" 1
2238 1 103 ASP HB3 1 104 PRO HD2 . . 4.940 5.010 4.939 5.044 0.104 10 0 "[ . 1 . 2]" 1
2239 1 103 ASP HB3 1 104 PRO HD3 . . 5.180 4.962 4.881 5.090 . 0 0 "[ . 1 . 2]" 1
2240 1 104 PRO QB 1 105 ARG H . . 3.880 3.489 2.895 3.677 . 0 0 "[ . 1 . 2]" 1
2241 1 104 PRO QB 1 106 GLN H . . 4.630 3.214 2.886 4.461 . 0 0 "[ . 1 . 2]" 1
2242 1 104 PRO HD2 1 105 ARG HA . . 5.410 4.763 4.475 5.102 . 0 0 "[ . 1 . 2]" 1
2243 1 104 PRO HD3 1 105 ARG H . . 4.070 3.912 3.624 4.140 0.070 16 0 "[ . 1 . 2]" 1
2244 1 105 ARG H 1 105 ARG QB . . 3.600 3.087 2.586 3.337 . 0 0 "[ . 1 . 2]" 1
2245 1 105 ARG H 1 105 ARG QG . . 3.540 2.823 2.426 3.555 0.015 12 0 "[ . 1 . 2]" 1
2246 1 105 ARG H 1 106 GLN H . . 3.900 2.967 1.766 3.197 . 0 0 "[ . 1 . 2]" 1
2247 1 105 ARG HA 1 105 ARG QG . . 3.510 2.774 2.206 3.535 0.025 15 0 "[ . 1 . 2]" 1
2248 1 105 ARG HA 1 106 GLN H . . 3.540 2.796 2.411 3.338 . 0 0 "[ . 1 . 2]" 1
2249 1 105 ARG QB 1 105 ARG QD . . 3.060 2.262 2.100 2.412 . 0 0 "[ . 1 . 2]" 1
2250 1 105 ARG QB 1 105 ARG QG . . 2.340 2.095 1.997 2.129 . 0 0 "[ . 1 . 2]" 1
2251 1 105 ARG HB2 1 105 ARG QD . . 3.490 2.704 2.338 3.452 . 0 0 "[ . 1 . 2]" 1
2252 1 105 ARG HB3 1 105 ARG QD . . 3.490 2.555 2.295 3.374 . 0 0 "[ . 1 . 2]" 1
2253 1 106 GLN H 1 106 GLN QG . . 4.850 2.706 2.008 4.036 . 0 0 "[ . 1 . 2]" 1
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