NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632969 |
6ce5   |
30404 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ce5
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 1430
_Distance_constraint_stats_list.Viol_count 1901
_Distance_constraint_stats_list.Viol_total 5845.689
_Distance_constraint_stats_list.Viol_max 1.897
_Distance_constraint_stats_list.Viol_rms 0.0697
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.1538
_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 SER 0.243 0.145 9 0 "[ . 1 . 2]"
1 2 GLU 1.262 0.186 17 0 "[ . 1 . 2]"
1 3 ALA 0.094 0.045 2 0 "[ . 1 . 2]"
1 4 VAL 5.330 0.889 8 1 "[ . + 1 . 2]"
1 5 ILE 4.906 0.743 1 2 "[+ . 1- . 2]"
1 6 LYS 3.543 0.549 18 1 "[ . 1 . + 2]"
1 7 VAL 2.067 0.369 20 0 "[ . 1 . 2]"
1 8 ILE 12.619 0.889 8 4 "[* . + 1* . - 2]"
1 9 SER 0.349 0.081 11 0 "[ . 1 . 2]"
1 10 SER 8.423 0.667 11 7 "[ ** * *+* . -2]"
1 11 ALA 2.413 0.422 4 0 "[ . 1 . 2]"
1 12 CYS 4.173 0.260 1 0 "[ . 1 . 2]"
1 13 LYS 13.131 0.431 15 0 "[ . 1 . 2]"
1 14 THR 15.980 0.667 11 7 "[ ** * *+* . -2]"
1 15 TYR 6.568 0.233 15 0 "[ . 1 . 2]"
1 16 CYS 1.759 0.131 8 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 9.753 0.777 6 8 "[ * .+ -*1* * **2]"
1 19 THR 12.274 0.777 6 8 "[ * .+ -*1* * **2]"
1 20 SER 4.896 0.431 15 0 "[ . 1 . 2]"
1 21 PRO 0.677 0.141 12 0 "[ . 1 . 2]"
1 22 SER 1.631 0.619 5 1 "[ + 1 . 2]"
1 23 LYS 2.528 0.284 16 0 "[ . 1 . 2]"
1 24 LYS 0.817 0.232 1 0 "[ . 1 . 2]"
1 25 GLU 4.129 0.619 5 1 "[ + 1 . 2]"
1 26 ILE 1.409 0.055 9 0 "[ . 1 . 2]"
1 27 GLY 0.091 0.017 20 0 "[ . 1 . 2]"
1 28 ALA 0.264 0.164 7 0 "[ . 1 . 2]"
1 29 MET 6.143 0.379 7 0 "[ . 1 . 2]"
1 30 LEU 3.617 0.228 16 0 "[ . 1 . 2]"
1 31 SER 0.019 0.013 20 0 "[ . 1 . 2]"
1 32 LEU 4.827 0.504 14 1 "[ . 1 +. 2]"
1 33 LEU 16.622 0.924 1 7 "[+ . ** 1* *- * 2]"
1 34 GLN 1.090 0.639 10 1 "[ . + . 2]"
1 35 LYS 1.507 0.475 16 0 "[ . 1 . 2]"
1 36 GLU 2.018 0.475 16 0 "[ . 1 . 2]"
1 37 GLY 0.635 0.448 20 0 "[ . 1 . 2]"
1 38 LEU 14.795 0.924 1 7 "[+ . ** 1* *- * 2]"
1 39 LEU 1.514 0.639 10 1 "[ . + . 2]"
1 40 MET 8.758 0.463 18 0 "[ . 1 . 2]"
1 41 SER 5.109 0.325 5 0 "[ . 1 . 2]"
1 42 PRO 1.509 0.258 1 0 "[ . 1 . 2]"
1 43 SER 1.455 0.440 18 0 "[ . 1 . 2]"
1 44 ASP 0.396 0.055 13 0 "[ . 1 . 2]"
1 45 LEU 8.964 0.906 10 1 "[ . + . 2]"
1 46 TYR 1.635 0.763 10 1 "[ . + . 2]"
1 47 SER 0.318 0.055 13 0 "[ . 1 . 2]"
1 48 PRO 2.521 0.201 18 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 8.015 0.341 8 0 "[ . 1 . 2]"
1 51 TRP 6.863 0.743 10 1 "[ . + . 2]"
1 52 ASP 8.706 0.409 4 0 "[ . 1 . 2]"
1 53 PRO 0.342 0.138 10 0 "[ . 1 . 2]"
1 54 ILE 2.108 0.174 19 0 "[ . 1 . 2]"
1 55 THR 8.572 0.409 4 0 "[ . 1 . 2]"
1 56 ALA 4.080 0.378 6 0 "[ . 1 . 2]"
1 57 ALA 0.224 0.041 16 0 "[ . 1 . 2]"
1 58 LEU 0.878 0.116 16 0 "[ . 1 . 2]"
1 59 SER 0.726 0.143 10 0 "[ . 1 . 2]"
1 60 GLN 6.034 0.404 19 0 "[ . 1 . 2]"
1 61 ARG 6.416 0.328 16 0 "[ . 1 . 2]"
1 62 ALA 11.207 0.861 2 1 "[ + . 1 . 2]"
1 63 MET 34.203 0.861 2 15 "[*+**.** ******. * *-]"
1 64 ILE 14.646 0.507 20 1 "[ . 1 . +]"
1 65 LEU 24.520 0.912 18 16 "[****.** ******. *+*-]"
1 66 GLY 0.886 0.250 7 0 "[ . 1 . 2]"
1 67 LYS 31.550 1.264 18 20 [*****************+*-]
1 68 SER 21.225 1.264 18 19 "[ ******-*********+**]"
1 69 GLY 0.429 0.104 12 0 "[ . 1 . 2]"
1 70 GLU 9.315 0.846 7 7 "[ **+ * .* - *]"
1 71 LEU 5.350 0.348 10 0 "[ . 1 . 2]"
1 72 LYS 11.942 0.846 7 7 "[ **+ * .* - *]"
1 73 THR 12.519 0.547 9 3 "[ . *+1 . - 2]"
1 74 TRP 8.301 0.906 10 1 "[ . + . 2]"
1 75 GLY 0.037 0.020 15 0 "[ . 1 . 2]"
1 76 LEU 9.418 0.654 14 4 "[ . **1 +. - 2]"
1 77 VAL 5.897 0.435 10 0 "[ . 1 . 2]"
1 78 LEU 0.744 0.091 20 0 "[ . 1 . 2]"
1 79 GLY 0.237 0.085 13 0 "[ . 1 . 2]"
1 80 ALA 0.192 0.096 20 0 "[ . 1 . 2]"
1 81 LEU 27.949 1.897 13 20 [*-**********+*******]
1 82 LYS 1.793 0.112 20 0 "[ . 1 . 2]"
1 83 ALA 2.204 0.395 9 0 "[ . 1 . 2]"
1 84 ALA 2.887 0.422 4 0 "[ . 1 . 2]"
1 85 ARG 28.352 1.897 13 20 [*-**********+*******]
1 86 GLU 2.736 0.480 16 0 "[ . 1 . 2]"
1 87 GLU 0.660 0.261 8 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 SER QB 1 2 GLU HB3 . . 5.200 4.393 3.221 5.245 0.045 4 0 "[ . 1 . 2]" 1
2 1 1 SER QB 1 2 GLU QG . . 4.970 4.210 2.704 5.115 0.145 9 0 "[ . 1 . 2]" 1
3 1 1 SER QB 1 4 VAL MG2 . . 4.600 3.298 1.992 4.555 . 0 0 "[ . 1 . 2]" 1
4 1 1 SER QB 1 5 ILE MD . . 4.600 3.685 1.884 4.596 . 0 0 "[ . 1 . 2]" 1
5 1 1 SER QB 1 42 PRO HB2 . . 4.160 3.531 2.210 4.193 0.033 17 0 "[ . 1 . 2]" 1
6 1 1 SER QB 1 42 PRO HG2 . . 4.530 3.046 2.238 4.203 . 0 0 "[ . 1 . 2]" 1
7 1 1 SER QB 1 42 PRO HG3 . . 3.450 2.639 2.019 3.424 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLU HA 1 2 GLU QG . . 3.540 3.238 2.569 3.337 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLU HA 1 3 ALA H . . 3.510 3.433 2.924 3.555 0.045 2 0 "[ . 1 . 2]" 1
10 1 2 GLU HA 1 4 VAL H . . 5.130 4.094 3.047 5.132 0.002 11 0 "[ . 1 . 2]" 1
11 1 2 GLU HA 1 5 ILE HB . . 3.840 3.177 2.331 3.871 0.031 17 0 "[ . 1 . 2]" 1
12 1 2 GLU HA 1 5 ILE MD . . 3.890 1.993 1.875 2.269 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLU HA 1 5 ILE MG . . 5.230 4.508 3.743 5.186 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLU HB2 1 2 GLU QG . . 2.710 2.330 2.196 2.472 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLU HB2 1 5 ILE MD . . 4.360 3.608 2.912 4.220 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLU HB3 1 5 ILE MD . . 4.220 3.863 3.551 4.356 0.136 9 0 "[ . 1 . 2]" 1
17 1 2 GLU QG 1 3 ALA MB . . 5.360 3.288 2.591 4.315 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLU QG 1 4 VAL H . . 5.350 4.472 4.019 4.852 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLU QG 1 4 VAL MG2 . . 5.500 5.440 4.772 5.686 0.186 17 0 "[ . 1 . 2]" 1
20 1 2 GLU QG 1 5 ILE MD . . 4.320 4.245 3.388 4.354 0.034 15 0 "[ . 1 . 2]" 1
21 1 3 ALA H 1 4 VAL H . . 4.470 2.641 1.894 2.810 . 0 0 "[ . 1 . 2]" 1
22 1 3 ALA H 1 4 VAL HA . . 5.370 5.232 4.626 5.377 0.007 4 0 "[ . 1 . 2]" 1
23 1 3 ALA H 1 5 ILE MD . . 5.500 4.115 3.162 4.617 . 0 0 "[ . 1 . 2]" 1
24 1 3 ALA HA 1 6 LYS QB . . 3.940 2.910 2.436 3.314 . 0 0 "[ . 1 . 2]" 1
25 1 3 ALA HA 1 7 VAL MG2 . . 5.420 3.266 2.983 3.539 . 0 0 "[ . 1 . 2]" 1
26 1 3 ALA MB 1 4 VAL H . . 4.130 2.749 2.229 3.349 . 0 0 "[ . 1 . 2]" 1
27 1 3 ALA MB 1 4 VAL HA . . 4.210 3.836 3.638 4.089 . 0 0 "[ . 1 . 2]" 1
28 1 3 ALA MB 1 4 VAL MG1 . . 5.450 4.892 4.792 5.024 . 0 0 "[ . 1 . 2]" 1
29 1 3 ALA MB 1 4 VAL MG2 . . 4.630 3.107 2.822 3.313 . 0 0 "[ . 1 . 2]" 1
30 1 3 ALA MB 1 7 VAL H . . 5.500 4.455 4.065 5.413 . 0 0 "[ . 1 . 2]" 1
31 1 3 ALA MB 1 7 VAL MG2 . . 4.730 2.922 2.438 3.626 . 0 0 "[ . 1 . 2]" 1
32 1 4 VAL H 1 4 VAL HB . . 3.330 2.650 2.527 2.814 . 0 0 "[ . 1 . 2]" 1
33 1 4 VAL H 1 4 VAL MG1 . . 4.470 3.786 3.758 3.877 . 0 0 "[ . 1 . 2]" 1
34 1 4 VAL H 1 4 VAL MG2 . . 3.800 2.094 1.906 2.589 . 0 0 "[ . 1 . 2]" 1
35 1 4 VAL H 1 5 ILE H . . 3.760 2.557 2.087 2.893 . 0 0 "[ . 1 . 2]" 1
36 1 4 VAL H 1 6 LYS H . . 5.300 3.877 3.285 4.699 . 0 0 "[ . 1 . 2]" 1
37 1 4 VAL H 1 7 VAL H . . 5.370 4.688 4.385 4.975 . 0 0 "[ . 1 . 2]" 1
38 1 4 VAL HA 1 4 VAL MG1 . . 3.410 2.297 2.113 2.398 . 0 0 "[ . 1 . 2]" 1
39 1 4 VAL HA 1 4 VAL MG2 . . 3.130 2.432 2.297 2.583 . 0 0 "[ . 1 . 2]" 1
40 1 4 VAL HA 1 7 VAL HB . . 3.370 2.904 2.211 3.364 . 0 0 "[ . 1 . 2]" 1
41 1 4 VAL HA 1 7 VAL MG1 . . 4.270 4.251 3.706 4.639 0.369 20 0 "[ . 1 . 2]" 1
42 1 4 VAL HA 1 7 VAL MG2 . . 3.680 3.413 2.137 3.711 0.031 10 0 "[ . 1 . 2]" 1
43 1 4 VAL HA 1 8 ILE MD . . 5.070 4.216 3.917 4.699 . 0 0 "[ . 1 . 2]" 1
44 1 4 VAL HA 1 46 TYR QE . . 4.730 3.993 3.409 4.724 . 0 0 "[ . 1 . 2]" 1
45 1 4 VAL HB 1 5 ILE H . . 4.900 2.664 2.138 3.181 . 0 0 "[ . 1 . 2]" 1
46 1 4 VAL MG1 1 5 ILE H . . 4.370 3.668 3.385 3.997 . 0 0 "[ . 1 . 2]" 1
47 1 4 VAL MG1 1 5 ILE HA . . 3.920 3.788 3.584 4.004 0.084 17 0 "[ . 1 . 2]" 1
48 1 4 VAL MG1 1 5 ILE HG13 . . 4.910 3.771 3.285 4.094 . 0 0 "[ . 1 . 2]" 1
49 1 4 VAL MG1 1 7 VAL H . . 5.160 4.926 4.192 5.208 0.048 15 0 "[ . 1 . 2]" 1
50 1 4 VAL MG1 1 7 VAL HB . . 5.020 4.146 3.285 4.621 . 0 0 "[ . 1 . 2]" 1
51 1 4 VAL MG1 1 8 ILE HA . . 5.020 5.088 4.743 5.909 0.889 8 1 "[ . + 1 . 2]" 1
52 1 4 VAL MG1 1 8 ILE HG12 . . 4.960 2.470 1.975 3.254 . 0 0 "[ . 1 . 2]" 1
53 1 4 VAL MG1 1 8 ILE HG13 . . 4.220 2.341 2.053 3.126 . 0 0 "[ . 1 . 2]" 1
54 1 4 VAL MG1 1 42 PRO HB2 . . 4.220 3.285 2.330 3.935 . 0 0 "[ . 1 . 2]" 1
55 1 4 VAL MG1 1 43 SER H . . 5.040 4.506 4.045 5.056 0.016 17 0 "[ . 1 . 2]" 1
56 1 4 VAL MG1 1 43 SER HA . . 4.080 2.743 1.976 3.427 . 0 0 "[ . 1 . 2]" 1
57 1 4 VAL MG1 1 43 SER HB3 . . 5.310 4.528 3.699 5.283 . 0 0 "[ . 1 . 2]" 1
58 1 4 VAL MG1 1 46 TYR QD . . 5.130 4.515 3.655 4.978 . 0 0 "[ . 1 . 2]" 1
59 1 4 VAL MG1 1 46 TYR QE . . 4.050 3.526 2.513 3.975 . 0 0 "[ . 1 . 2]" 1
60 1 4 VAL MG2 1 42 PRO HA . . 4.880 3.947 3.408 4.540 . 0 0 "[ . 1 . 2]" 1
61 1 4 VAL MG2 1 42 PRO HB2 . . 3.970 2.235 1.916 3.018 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL MG2 1 42 PRO HG3 . . 4.750 3.875 3.171 4.531 . 0 0 "[ . 1 . 2]" 1
63 1 4 VAL MG2 1 43 SER H . . 4.810 3.276 2.981 3.788 . 0 0 "[ . 1 . 2]" 1
64 1 4 VAL MG2 1 43 SER HA . . 3.660 2.209 1.910 2.679 . 0 0 "[ . 1 . 2]" 1
65 1 4 VAL MG2 1 43 SER HB3 . . 3.930 2.969 2.290 4.370 0.440 18 0 "[ . 1 . 2]" 1
66 1 4 VAL MG2 1 46 TYR QD . . 5.160 4.574 3.897 5.040 . 0 0 "[ . 1 . 2]" 1
67 1 4 VAL MG2 1 46 TYR QE . . 4.070 3.194 2.414 3.675 . 0 0 "[ . 1 . 2]" 1
68 1 5 ILE H 1 5 ILE MD . . 3.730 2.386 1.942 2.958 . 0 0 "[ . 1 . 2]" 1
69 1 5 ILE HA 1 5 ILE MD . . 3.730 3.709 3.406 3.813 0.083 19 0 "[ . 1 . 2]" 1
70 1 5 ILE HA 1 5 ILE HG12 . . 3.750 3.265 2.909 3.497 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE HA 1 5 ILE HG13 . . 3.750 2.446 2.337 2.505 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE HA 1 5 ILE MG . . 3.080 2.294 2.212 2.430 . 0 0 "[ . 1 . 2]" 1
73 1 5 ILE HA 1 6 LYS HA . . 4.910 4.662 4.594 4.824 . 0 0 "[ . 1 . 2]" 1
74 1 5 ILE HA 1 7 VAL H . . 5.370 4.769 3.731 5.259 . 0 0 "[ . 1 . 2]" 1
75 1 5 ILE HA 1 8 ILE H . . 4.860 4.070 3.554 4.525 . 0 0 "[ . 1 . 2]" 1
76 1 5 ILE HA 1 8 ILE HG13 . . 4.900 4.678 4.023 4.912 0.012 17 0 "[ . 1 . 2]" 1
77 1 5 ILE HA 1 8 ILE MG . . 4.430 4.575 3.947 5.173 0.743 1 2 "[+ . 1- . 2]" 1
78 1 5 ILE HA 1 9 SER H . . 4.490 4.015 3.229 4.482 . 0 0 "[ . 1 . 2]" 1
79 1 5 ILE HA 1 26 ILE MD . . 3.890 3.306 2.959 3.886 . 0 0 "[ . 1 . 2]" 1
80 1 5 ILE HB 1 5 ILE MD . . 2.880 2.071 1.989 2.263 . 0 0 "[ . 1 . 2]" 1
81 1 5 ILE MD 1 27 GLY QA . . 3.770 3.570 3.452 3.650 . 0 0 "[ . 1 . 2]" 1
82 1 5 ILE MD 1 30 LEU QD . . 3.750 3.154 2.414 3.693 . 0 0 "[ . 1 . 2]" 1
83 1 5 ILE HG12 1 27 GLY QA . . 4.940 3.155 2.629 3.354 . 0 0 "[ . 1 . 2]" 1
84 1 5 ILE HG12 1 30 LEU QD . . 4.450 3.543 2.706 4.249 . 0 0 "[ . 1 . 2]" 1
85 1 5 ILE HG13 1 26 ILE MG . . 4.760 3.166 2.248 4.167 . 0 0 "[ . 1 . 2]" 1
86 1 5 ILE HG13 1 30 LEU QD . . 3.940 2.957 2.433 3.516 . 0 0 "[ . 1 . 2]" 1
87 1 5 ILE MG 1 6 LYS HA . . 4.160 3.740 3.286 3.940 . 0 0 "[ . 1 . 2]" 1
88 1 5 ILE MG 1 23 LYS HA . . 3.820 2.215 1.897 2.671 . 0 0 "[ . 1 . 2]" 1
89 1 5 ILE MG 1 23 LYS HB2 . . 3.840 2.641 1.884 3.460 . 0 0 "[ . 1 . 2]" 1
90 1 5 ILE MG 1 23 LYS QD . . 4.170 3.866 3.568 4.192 0.022 11 0 "[ . 1 . 2]" 1
91 1 5 ILE MG 1 23 LYS QE . . 4.940 4.394 3.153 4.965 0.025 3 0 "[ . 1 . 2]" 1
92 1 5 ILE MG 1 26 ILE MD . . 4.040 2.739 2.024 3.714 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE MG 1 27 GLY H . . 3.820 3.615 3.049 3.815 . 0 0 "[ . 1 . 2]" 1
94 1 6 LYS H 1 6 LYS QB . . 3.050 2.250 2.038 2.491 . 0 0 "[ . 1 . 2]" 1
95 1 6 LYS H 1 7 VAL H . . 3.490 2.456 2.188 2.947 . 0 0 "[ . 1 . 2]" 1
96 1 6 LYS H 1 7 VAL HB . . 5.360 4.576 4.328 5.030 . 0 0 "[ . 1 . 2]" 1
97 1 6 LYS H 1 7 VAL MG2 . . 5.500 3.894 3.523 4.375 . 0 0 "[ . 1 . 2]" 1
98 1 6 LYS H 1 8 ILE H . . 5.080 3.921 3.448 4.452 . 0 0 "[ . 1 . 2]" 1
99 1 6 LYS HA 1 8 ILE H . . 4.530 4.542 3.838 5.079 0.549 18 1 "[ . 1 . + 2]" 1
100 1 6 LYS QB 1 7 VAL H . . 3.440 2.575 2.093 3.389 . 0 0 "[ . 1 . 2]" 1
101 1 6 LYS QB 1 7 VAL MG2 . . 4.110 3.017 2.790 3.276 . 0 0 "[ . 1 . 2]" 1
102 1 7 VAL H 1 7 VAL HB . . 3.190 2.585 2.497 2.680 . 0 0 "[ . 1 . 2]" 1
103 1 7 VAL H 1 7 VAL MG1 . . 4.080 3.774 3.757 3.845 . 0 0 "[ . 1 . 2]" 1
104 1 7 VAL H 1 7 VAL MG2 . . 3.460 2.158 1.946 2.765 . 0 0 "[ . 1 . 2]" 1
105 1 7 VAL H 1 8 ILE H . . 3.620 2.670 1.969 2.960 . 0 0 "[ . 1 . 2]" 1
106 1 7 VAL H 1 9 SER H . . 4.910 3.889 3.111 4.289 . 0 0 "[ . 1 . 2]" 1
107 1 7 VAL HA 1 7 VAL MG1 . . 3.120 2.338 2.210 2.404 . 0 0 "[ . 1 . 2]" 1
108 1 7 VAL HA 1 7 VAL MG2 . . 3.070 2.401 2.337 2.438 . 0 0 "[ . 1 . 2]" 1
109 1 7 VAL HB 1 8 ILE H . . 3.600 2.577 2.202 3.024 . 0 0 "[ . 1 . 2]" 1
110 1 7 VAL HB 1 8 ILE MD . . 4.580 3.661 3.237 3.953 . 0 0 "[ . 1 . 2]" 1
111 1 7 VAL HB 1 8 ILE HG12 . . 5.080 3.071 2.831 3.213 . 0 0 "[ . 1 . 2]" 1
112 1 7 VAL HB 1 46 TYR QE . . 4.670 3.838 3.546 4.159 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL MG1 1 8 ILE H . . 3.880 3.454 3.075 3.882 0.002 11 0 "[ . 1 . 2]" 1
114 1 7 VAL MG1 1 11 ALA MB . . 4.580 3.854 3.303 4.517 . 0 0 "[ . 1 . 2]" 1
115 1 7 VAL MG1 1 46 TYR QD . . 4.840 4.829 4.686 4.852 0.012 12 0 "[ . 1 . 2]" 1
116 1 7 VAL MG1 1 46 TYR QE . . 3.820 3.085 2.812 3.344 . 0 0 "[ . 1 . 2]" 1
117 1 7 VAL MG2 1 46 TYR QE . . 4.740 4.370 4.048 4.602 . 0 0 "[ . 1 . 2]" 1
118 1 8 ILE H 1 8 ILE HB . . 2.960 2.552 2.476 2.647 . 0 0 "[ . 1 . 2]" 1
119 1 8 ILE H 1 8 ILE MD . . 4.240 3.349 3.124 3.554 . 0 0 "[ . 1 . 2]" 1
120 1 8 ILE H 1 8 ILE HG12 . . 3.890 2.207 1.980 2.479 . 0 0 "[ . 1 . 2]" 1
121 1 8 ILE H 1 9 SER H . . 3.560 2.480 2.078 2.850 . 0 0 "[ . 1 . 2]" 1
122 1 8 ILE H 1 10 SER H . . 5.460 4.261 3.794 4.717 . 0 0 "[ . 1 . 2]" 1
123 1 8 ILE HA 1 8 ILE MD . . 3.730 2.027 1.966 2.153 . 0 0 "[ . 1 . 2]" 1
124 1 8 ILE HA 1 8 ILE HG12 . . 3.550 3.032 2.938 3.134 . 0 0 "[ . 1 . 2]" 1
125 1 8 ILE HA 1 8 ILE HG13 . . 3.760 3.739 3.717 3.792 0.032 11 0 "[ . 1 . 2]" 1
126 1 8 ILE HA 1 8 ILE MG . . 3.280 2.317 2.204 2.410 . 0 0 "[ . 1 . 2]" 1
127 1 8 ILE HA 1 10 SER H . . 4.610 4.268 3.730 4.833 0.223 9 0 "[ . 1 . 2]" 1
128 1 8 ILE HA 1 11 ALA H . . 4.000 3.400 3.134 3.704 . 0 0 "[ . 1 . 2]" 1
129 1 8 ILE HA 1 11 ALA MB . . 3.420 2.702 2.472 2.904 . 0 0 "[ . 1 . 2]" 1
130 1 8 ILE HA 1 12 CYS H . . 4.190 4.083 3.922 4.200 0.010 17 0 "[ . 1 . 2]" 1
131 1 8 ILE HA 1 81 LEU QD . . 5.500 4.267 3.718 4.587 . 0 0 "[ . 1 . 2]" 1
132 1 8 ILE HB 1 9 SER H . . 3.360 2.848 2.476 3.104 . 0 0 "[ . 1 . 2]" 1
133 1 8 ILE HB 1 9 SER HA . . 4.770 4.242 4.166 4.331 . 0 0 "[ . 1 . 2]" 1
134 1 8 ILE MD 1 8 ILE MG . . 2.970 2.013 1.917 2.112 . 0 0 "[ . 1 . 2]" 1
135 1 8 ILE MD 1 11 ALA H . . 5.290 4.864 4.602 5.120 . 0 0 "[ . 1 . 2]" 1
136 1 8 ILE MD 1 11 ALA MB . . 3.930 3.391 3.147 3.630 . 0 0 "[ . 1 . 2]" 1
137 1 8 ILE MD 1 12 CYS H . . 5.110 5.180 4.891 5.370 0.260 1 0 "[ . 1 . 2]" 1
138 1 8 ILE MD 1 45 LEU HB3 . . 5.000 2.904 2.377 3.639 . 0 0 "[ . 1 . 2]" 1
139 1 8 ILE MD 1 46 TYR QD . . 5.010 3.253 2.909 3.666 . 0 0 "[ . 1 . 2]" 1
140 1 8 ILE MD 1 46 TYR QE . . 4.330 2.194 1.987 2.608 . 0 0 "[ . 1 . 2]" 1
141 1 8 ILE HG12 1 46 TYR QE . . 4.730 3.486 2.964 4.087 . 0 0 "[ . 1 . 2]" 1
142 1 8 ILE HG12 1 81 LEU QD . . 5.500 4.407 3.993 4.825 . 0 0 "[ . 1 . 2]" 1
143 1 8 ILE HG13 1 46 TYR QE . . 4.740 4.188 3.601 4.731 . 0 0 "[ . 1 . 2]" 1
144 1 8 ILE MG 1 9 SER H . . 3.950 3.665 3.306 3.963 0.013 11 0 "[ . 1 . 2]" 1
145 1 8 ILE MG 1 9 SER HA . . 4.500 3.674 3.314 3.999 . 0 0 "[ . 1 . 2]" 1
146 1 8 ILE MG 1 10 SER H . . 5.230 4.992 4.685 5.244 0.014 4 0 "[ . 1 . 2]" 1
147 1 8 ILE MG 1 11 ALA H . . 4.890 4.409 3.984 4.792 . 0 0 "[ . 1 . 2]" 1
148 1 8 ILE MG 1 11 ALA MB . . 4.290 3.186 2.755 3.566 . 0 0 "[ . 1 . 2]" 1
149 1 8 ILE MG 1 12 CYS H . . 4.700 3.601 3.259 3.860 . 0 0 "[ . 1 . 2]" 1
150 1 8 ILE MG 1 12 CYS QB . . 5.230 3.285 3.038 3.528 . 0 0 "[ . 1 . 2]" 1
151 1 8 ILE MG 1 46 TYR QE . . 5.500 5.103 4.846 5.447 . 0 0 "[ . 1 . 2]" 1
152 1 8 ILE MG 1 80 ALA MB . . 5.250 3.611 3.078 3.996 . 0 0 "[ . 1 . 2]" 1
153 1 8 ILE MG 1 81 LEU H . . 5.260 4.585 4.183 5.154 . 0 0 "[ . 1 . 2]" 1
154 1 8 ILE MG 1 81 LEU QD . . 4.900 3.152 2.546 3.699 . 0 0 "[ . 1 . 2]" 1
155 1 9 SER H 1 10 SER H . . 3.540 2.715 2.408 2.995 . 0 0 "[ . 1 . 2]" 1
156 1 9 SER H 1 12 CYS H . . 4.920 4.903 4.754 5.001 0.081 11 0 "[ . 1 . 2]" 1
157 1 9 SER HA 1 12 CYS H . . 3.860 3.735 3.588 3.872 0.012 20 0 "[ . 1 . 2]" 1
158 1 9 SER HA 1 12 CYS QB . . 4.050 3.389 2.736 3.931 . 0 0 "[ . 1 . 2]" 1
159 1 9 SER HA 1 26 ILE MD . . 3.460 3.017 2.416 3.206 . 0 0 "[ . 1 . 2]" 1
160 1 9 SER HB2 1 26 ILE MD . . 4.070 3.107 2.647 3.510 . 0 0 "[ . 1 . 2]" 1
161 1 10 SER H 1 10 SER HB3 . . 2.990 2.543 2.208 2.901 . 0 0 "[ . 1 . 2]" 1
162 1 10 SER H 1 11 ALA H . . 3.490 2.605 2.278 2.952 . 0 0 "[ . 1 . 2]" 1
163 1 10 SER H 1 11 ALA MB . . 5.110 4.228 3.882 4.484 . 0 0 "[ . 1 . 2]" 1
164 1 10 SER H 1 13 LYS H . . 4.800 4.768 4.590 4.844 0.044 17 0 "[ . 1 . 2]" 1
165 1 10 SER HA 1 13 LYS HB2 . . 2.850 2.726 2.461 2.901 0.051 11 0 "[ . 1 . 2]" 1
166 1 10 SER HA 1 13 LYS HB3 . . 4.240 3.565 3.073 3.867 . 0 0 "[ . 1 . 2]" 1
167 1 10 SER HA 1 13 LYS QG . . 4.330 4.142 4.014 4.234 . 0 0 "[ . 1 . 2]" 1
168 1 10 SER HA 1 14 THR H . . 4.590 4.974 4.677 5.257 0.667 11 7 "[ ** * *+* . -2]" 1
169 1 10 SER HB3 1 11 ALA H . . 3.370 2.665 2.291 3.001 . 0 0 "[ . 1 . 2]" 1
170 1 10 SER HB3 1 11 ALA MB . . 5.500 3.984 3.771 4.327 . 0 0 "[ . 1 . 2]" 1
171 1 11 ALA H 1 11 ALA MB . . 3.130 2.152 2.035 2.254 . 0 0 "[ . 1 . 2]" 1
172 1 11 ALA H 1 12 CYS H . . 3.300 2.735 2.529 2.961 . 0 0 "[ . 1 . 2]" 1
173 1 11 ALA HA 1 14 THR H . . 4.190 3.583 3.456 3.710 . 0 0 "[ . 1 . 2]" 1
174 1 11 ALA HA 1 14 THR HB . . 3.360 3.104 3.011 3.181 . 0 0 "[ . 1 . 2]" 1
175 1 11 ALA HA 1 14 THR MG . . 4.490 4.498 4.402 4.542 0.052 14 0 "[ . 1 . 2]" 1
176 1 11 ALA HA 1 15 TYR QD . . 4.070 3.568 3.165 3.860 . 0 0 "[ . 1 . 2]" 1
177 1 11 ALA HA 1 15 TYR QE . . 4.410 3.606 3.289 4.401 . 0 0 "[ . 1 . 2]" 1
178 1 11 ALA MB 1 12 CYS H . . 3.580 2.449 2.133 2.651 . 0 0 "[ . 1 . 2]" 1
179 1 11 ALA MB 1 12 CYS HA . . 4.400 3.729 3.631 3.810 . 0 0 "[ . 1 . 2]" 1
180 1 11 ALA MB 1 14 THR HB . . 4.570 4.359 4.138 4.505 . 0 0 "[ . 1 . 2]" 1
181 1 11 ALA MB 1 14 THR MG . . 5.500 5.188 4.917 5.350 . 0 0 "[ . 1 . 2]" 1
182 1 11 ALA MB 1 15 TYR QD . . 4.130 2.716 2.267 4.106 . 0 0 "[ . 1 . 2]" 1
183 1 11 ALA MB 1 15 TYR QE . . 4.460 2.569 1.955 4.371 . 0 0 "[ . 1 . 2]" 1
184 1 11 ALA MB 1 77 VAL HA . . 5.500 5.303 4.829 5.548 0.048 4 0 "[ . 1 . 2]" 1
185 1 11 ALA MB 1 80 ALA HA . . 5.090 4.662 3.896 5.084 . 0 0 "[ . 1 . 2]" 1
186 1 11 ALA MB 1 81 LEU HA . . 4.560 4.030 3.689 4.488 . 0 0 "[ . 1 . 2]" 1
187 1 11 ALA MB 1 84 ALA HA . . 5.500 5.174 4.314 5.564 0.064 15 0 "[ . 1 . 2]" 1
188 1 11 ALA MB 1 84 ALA MB . . 3.240 3.207 2.685 3.662 0.422 4 0 "[ . 1 . 2]" 1
189 1 12 CYS H 1 12 CYS QB . . 3.250 2.254 2.046 2.477 . 0 0 "[ . 1 . 2]" 1
190 1 12 CYS H 1 14 THR H . . 4.780 4.001 3.909 4.087 . 0 0 "[ . 1 . 2]" 1
191 1 12 CYS HA 1 13 LYS HA . . 4.670 4.739 4.716 4.754 0.084 19 0 "[ . 1 . 2]" 1
192 1 12 CYS HA 1 15 TYR HB3 . . 4.310 4.290 4.049 4.370 0.060 9 0 "[ . 1 . 2]" 1
193 1 12 CYS HA 1 15 TYR QD . . 4.660 3.505 2.825 4.682 0.022 4 0 "[ . 1 . 2]" 1
194 1 12 CYS HA 1 16 CYS H . . 3.960 3.692 2.994 3.974 0.014 2 0 "[ . 1 . 2]" 1
195 1 12 CYS HA 1 80 ALA HA . . 5.090 4.105 3.652 4.372 . 0 0 "[ . 1 . 2]" 1
196 1 12 CYS HA 1 80 ALA MB . . 3.240 1.961 1.875 2.167 . 0 0 "[ . 1 . 2]" 1
197 1 12 CYS QB 1 13 LYS H . . 4.000 3.201 2.793 3.577 . 0 0 "[ . 1 . 2]" 1
198 1 12 CYS QB 1 13 LYS HA . . 5.130 4.149 3.806 4.496 . 0 0 "[ . 1 . 2]" 1
199 1 12 CYS QB 1 20 SER HA . . 4.290 3.326 2.144 3.593 . 0 0 "[ . 1 . 2]" 1
200 1 12 CYS QB 1 20 SER QB . . 3.810 2.256 1.961 3.087 . 0 0 "[ . 1 . 2]" 1
201 1 12 CYS QB 1 21 PRO HD2 . . 3.860 2.269 2.001 2.509 . 0 0 "[ . 1 . 2]" 1
202 1 12 CYS QB 1 21 PRO HD3 . . 3.830 3.508 2.928 3.763 . 0 0 "[ . 1 . 2]" 1
203 1 12 CYS QB 1 21 PRO HG2 . . 5.170 3.539 3.199 3.844 . 0 0 "[ . 1 . 2]" 1
204 1 12 CYS QB 1 26 ILE MD . . 4.750 3.855 3.347 4.152 . 0 0 "[ . 1 . 2]" 1
205 1 12 CYS QB 1 80 ALA MB . . 4.870 3.049 2.401 3.508 . 0 0 "[ . 1 . 2]" 1
206 1 13 LYS H 1 13 LYS HB2 . . 3.160 2.109 2.081 2.177 . 0 0 "[ . 1 . 2]" 1
207 1 13 LYS H 1 13 LYS QG . . 3.500 3.690 3.513 3.880 0.380 14 0 "[ . 1 . 2]" 1
208 1 13 LYS H 1 14 THR H . . 3.410 2.522 2.452 2.562 . 0 0 "[ . 1 . 2]" 1
209 1 13 LYS H 1 15 TYR H . . 5.290 3.917 3.845 4.010 . 0 0 "[ . 1 . 2]" 1
210 1 13 LYS HA 1 13 LYS QD . . 3.700 2.613 1.981 2.894 . 0 0 "[ . 1 . 2]" 1
211 1 13 LYS HA 1 13 LYS QE . . 5.250 4.046 3.231 4.549 . 0 0 "[ . 1 . 2]" 1
212 1 13 LYS HA 1 13 LYS QG . . 3.620 2.207 2.101 2.470 . 0 0 "[ . 1 . 2]" 1
213 1 13 LYS HA 1 16 CYS H . . 4.160 3.832 3.612 4.037 . 0 0 "[ . 1 . 2]" 1
214 1 13 LYS HA 1 16 CYS HB2 . . 4.870 3.784 3.213 4.154 . 0 0 "[ . 1 . 2]" 1
215 1 13 LYS HA 1 20 SER QB . . 3.190 2.699 2.013 3.037 . 0 0 "[ . 1 . 2]" 1
216 1 13 LYS HB2 1 14 THR H . . 3.550 3.739 3.535 3.923 0.373 9 0 "[ . 1 . 2]" 1
217 1 13 LYS HB3 1 13 LYS QD . . 3.260 2.556 2.149 3.393 0.133 8 0 "[ . 1 . 2]" 1
218 1 13 LYS HB3 1 20 SER QB . . 4.900 5.037 4.268 5.331 0.431 15 0 "[ . 1 . 2]" 1
219 1 13 LYS QE 1 20 SER QB . . 4.620 4.370 3.039 4.645 0.025 7 0 "[ . 1 . 2]" 1
220 1 13 LYS QG 1 20 SER QB . . 4.240 3.224 2.757 3.742 . 0 0 "[ . 1 . 2]" 1
221 1 14 THR H 1 14 THR HB . . 2.920 2.663 2.558 2.737 . 0 0 "[ . 1 . 2]" 1
222 1 14 THR H 1 14 THR MG . . 4.260 3.863 3.813 3.894 . 0 0 "[ . 1 . 2]" 1
223 1 14 THR H 1 15 TYR H . . 3.320 1.981 1.869 2.126 . 0 0 "[ . 1 . 2]" 1
224 1 14 THR H 1 15 TYR HB2 . . 4.970 4.070 3.872 4.224 . 0 0 "[ . 1 . 2]" 1
225 1 14 THR H 1 15 TYR QD . . 5.300 4.146 3.250 4.543 . 0 0 "[ . 1 . 2]" 1
226 1 14 THR H 1 80 ALA MB . . 5.500 4.483 4.126 4.653 . 0 0 "[ . 1 . 2]" 1
227 1 14 THR HA 1 14 THR HB . . 2.960 3.022 3.019 3.025 0.065 20 0 "[ . 1 . 2]" 1
228 1 14 THR HA 1 14 THR MG . . 3.050 2.251 2.193 2.366 . 0 0 "[ . 1 . 2]" 1
229 1 14 THR HA 1 16 CYS H . . 4.650 4.127 3.816 4.687 0.037 12 0 "[ . 1 . 2]" 1
230 1 14 THR HB 1 15 TYR H . . 3.320 3.295 3.118 3.435 0.115 19 0 "[ . 1 . 2]" 1
231 1 14 THR HB 1 15 TYR HA . . 4.750 4.563 4.513 4.594 . 0 0 "[ . 1 . 2]" 1
232 1 14 THR HB 1 15 TYR HB2 . . 5.060 4.741 4.535 4.865 . 0 0 "[ . 1 . 2]" 1
233 1 14 THR HB 1 15 TYR QD . . 3.920 3.780 2.199 4.015 0.095 18 0 "[ . 1 . 2]" 1
234 1 14 THR HB 1 15 TYR QE . . 4.250 4.142 3.100 4.286 0.036 17 0 "[ . 1 . 2]" 1
235 1 14 THR MG 1 15 TYR H . . 4.350 4.005 3.758 4.120 . 0 0 "[ . 1 . 2]" 1
236 1 14 THR MG 1 15 TYR HA . . 4.180 4.006 3.712 4.157 . 0 0 "[ . 1 . 2]" 1
237 1 14 THR MG 1 15 TYR HB2 . . 5.220 5.249 4.993 5.413 0.193 13 0 "[ . 1 . 2]" 1
238 1 14 THR MG 1 15 TYR QD . . 4.130 3.877 2.587 4.127 . 0 0 "[ . 1 . 2]" 1
239 1 14 THR MG 1 15 TYR QE . . 3.990 3.822 2.938 4.043 0.053 17 0 "[ . 1 . 2]" 1
240 1 14 THR MG 1 16 CYS H . . 5.500 5.112 4.750 5.476 . 0 0 "[ . 1 . 2]" 1
241 1 15 TYR H 1 15 TYR HB2 . . 3.360 2.501 2.349 2.596 . 0 0 "[ . 1 . 2]" 1
242 1 15 TYR H 1 15 TYR HB3 . . 3.870 3.692 3.583 3.750 . 0 0 "[ . 1 . 2]" 1
243 1 15 TYR H 1 15 TYR QD . . 3.940 3.393 2.675 3.662 . 0 0 "[ . 1 . 2]" 1
244 1 15 TYR H 1 16 CYS H . . 3.340 2.029 1.896 2.252 . 0 0 "[ . 1 . 2]" 1
245 1 15 TYR H 1 17 GLY H . . 5.050 3.924 3.419 4.454 . 0 0 "[ . 1 . 2]" 1
246 1 15 TYR H 1 80 ALA MB . . 4.820 3.679 3.476 3.833 . 0 0 "[ . 1 . 2]" 1
247 1 15 TYR HA 1 15 TYR QD . . 3.150 2.308 1.982 2.926 . 0 0 "[ . 1 . 2]" 1
248 1 15 TYR HA 1 15 TYR QE . . 4.310 4.380 4.299 4.543 0.233 15 0 "[ . 1 . 2]" 1
249 1 15 TYR HA 1 80 ALA HA . . 4.810 4.606 4.523 4.746 . 0 0 "[ . 1 . 2]" 1
250 1 15 TYR HA 1 80 ALA MB . . 4.970 4.618 4.440 4.848 . 0 0 "[ . 1 . 2]" 1
251 1 15 TYR HA 1 83 ALA MB . . 4.570 4.383 3.811 4.595 0.025 4 0 "[ . 1 . 2]" 1
252 1 15 TYR HB2 1 80 ALA H . . 4.980 4.466 3.958 4.640 . 0 0 "[ . 1 . 2]" 1
253 1 15 TYR HB2 1 80 ALA HA . . 3.650 2.428 2.183 2.609 . 0 0 "[ . 1 . 2]" 1
254 1 15 TYR HB2 1 80 ALA MB . . 3.950 2.001 1.931 2.239 . 0 0 "[ . 1 . 2]" 1
255 1 15 TYR HB2 1 83 ALA MB . . 4.240 4.180 3.468 4.456 0.216 15 0 "[ . 1 . 2]" 1
256 1 15 TYR HB3 1 16 CYS H . . 4.550 4.084 3.648 4.279 . 0 0 "[ . 1 . 2]" 1
257 1 15 TYR HB3 1 80 ALA HA . . 3.760 2.195 2.042 2.519 . 0 0 "[ . 1 . 2]" 1
258 1 15 TYR HB3 1 80 ALA MB . . 3.840 3.037 2.786 3.519 . 0 0 "[ . 1 . 2]" 1
259 1 15 TYR HB3 1 83 ALA MB . . 4.130 3.218 2.587 3.464 . 0 0 "[ . 1 . 2]" 1
260 1 15 TYR QD 1 16 CYS H . . 4.690 4.666 4.301 4.821 0.131 8 0 "[ . 1 . 2]" 1
261 1 15 TYR QD 1 80 ALA HA . . 3.760 2.831 2.312 3.179 . 0 0 "[ . 1 . 2]" 1
262 1 15 TYR QD 1 80 ALA MB . . 3.680 2.109 1.917 3.372 . 0 0 "[ . 1 . 2]" 1
263 1 15 TYR QD 1 83 ALA MB . . 3.610 2.628 1.856 3.321 . 0 0 "[ . 1 . 2]" 1
264 1 15 TYR QD 1 84 ALA HA . . 5.140 4.979 4.180 5.178 0.038 9 0 "[ . 1 . 2]" 1
265 1 15 TYR QD 1 84 ALA MB . . 4.390 3.764 3.406 4.045 . 0 0 "[ . 1 . 2]" 1
266 1 15 TYR QE 1 80 ALA HA . . 4.740 4.494 3.977 4.747 0.007 3 0 "[ . 1 . 2]" 1
267 1 15 TYR QE 1 80 ALA MB . . 4.760 3.839 3.522 4.655 . 0 0 "[ . 1 . 2]" 1
268 1 15 TYR QE 1 83 ALA MB . . 3.860 2.596 2.278 3.573 . 0 0 "[ . 1 . 2]" 1
269 1 15 TYR QE 1 84 ALA H . . 5.040 3.652 2.887 4.088 . 0 0 "[ . 1 . 2]" 1
270 1 15 TYR QE 1 84 ALA HA . . 3.790 3.117 2.016 3.460 . 0 0 "[ . 1 . 2]" 1
271 1 15 TYR QE 1 84 ALA MB . . 3.620 2.405 2.003 2.945 . 0 0 "[ . 1 . 2]" 1
272 1 16 CYS H 1 16 CYS HB2 . . 3.450 2.750 2.349 2.912 . 0 0 "[ . 1 . 2]" 1
273 1 16 CYS H 1 17 GLY H . . 3.120 2.359 1.898 2.719 . 0 0 "[ . 1 . 2]" 1
274 1 16 CYS H 1 80 ALA MB . . 5.240 4.280 3.560 4.769 . 0 0 "[ . 1 . 2]" 1
275 1 16 CYS HA 1 76 LEU QD . . 5.300 4.294 3.849 4.930 . 0 0 "[ . 1 . 2]" 1
276 1 16 CYS HB2 1 17 GLY H . . 4.060 2.148 1.847 2.591 . 0 0 "[ . 1 . 2]" 1
277 1 16 CYS HB2 1 19 THR H . . 4.920 4.386 3.405 4.917 . 0 0 "[ . 1 . 2]" 1
278 1 16 CYS HB2 1 20 SER H . . 4.050 3.133 2.341 3.737 . 0 0 "[ . 1 . 2]" 1
279 1 16 CYS HB2 1 20 SER HA . . 3.450 3.063 2.606 3.332 . 0 0 "[ . 1 . 2]" 1
280 1 16 CYS HB2 1 20 SER QB . . 3.470 2.312 1.905 3.255 . 0 0 "[ . 1 . 2]" 1
281 1 16 CYS HB2 1 21 PRO HD3 . . 5.140 4.907 4.340 5.225 0.085 17 0 "[ . 1 . 2]" 1
282 1 16 CYS HB2 1 76 LEU QD . . 4.800 3.581 2.839 4.456 . 0 0 "[ . 1 . 2]" 1
283 1 16 CYS HB3 1 17 GLY H . . 4.340 3.335 2.795 3.753 . 0 0 "[ . 1 . 2]" 1
284 1 16 CYS HB3 1 19 THR H . . 4.770 4.045 2.652 4.759 . 0 0 "[ . 1 . 2]" 1
285 1 16 CYS HB3 1 19 THR HB . . 4.970 4.011 2.783 5.083 0.113 12 0 "[ . 1 . 2]" 1
286 1 16 CYS HB3 1 19 THR MG . . 5.500 3.587 1.901 4.781 . 0 0 "[ . 1 . 2]" 1
287 1 16 CYS HB3 1 20 SER H . . 4.060 3.231 2.026 3.729 . 0 0 "[ . 1 . 2]" 1
288 1 16 CYS HB3 1 20 SER HA . . 3.570 3.352 2.964 3.571 0.001 16 0 "[ . 1 . 2]" 1
289 1 16 CYS HB3 1 20 SER QB . . 3.840 3.488 2.905 3.900 0.060 12 0 "[ . 1 . 2]" 1
290 1 16 CYS HB3 1 21 PRO HD3 . . 5.280 5.080 4.475 5.342 0.062 17 0 "[ . 1 . 2]" 1
291 1 16 CYS HB3 1 76 LEU QD . . 4.340 2.780 2.200 3.476 . 0 0 "[ . 1 . 2]" 1
292 1 17 GLY H 1 17 GLY HA2 . . 2.930 2.355 2.295 2.460 . 0 0 "[ . 1 . 2]" 1
293 1 17 GLY H 1 18 LYS H . . 5.150 4.114 3.072 4.538 . 0 0 "[ . 1 . 2]" 1
294 1 17 GLY H 1 20 SER H . . 4.940 3.770 2.891 4.702 . 0 0 "[ . 1 . 2]" 1
295 1 17 GLY H 1 20 SER HA . . 5.500 4.717 4.048 5.042 . 0 0 "[ . 1 . 2]" 1
296 1 17 GLY H 1 20 SER HB2 . . 4.560 3.617 2.554 4.346 . 0 0 "[ . 1 . 2]" 1
297 1 17 GLY HA3 1 19 THR H . . 4.910 4.000 3.233 4.857 . 0 0 "[ . 1 . 2]" 1
298 1 18 LYS H 1 19 THR H . . 4.660 2.809 2.401 3.906 . 0 0 "[ . 1 . 2]" 1
299 1 18 LYS HA 1 18 LYS QD . . 3.710 3.453 2.297 3.740 0.030 15 0 "[ . 1 . 2]" 1
300 1 18 LYS HA 1 18 LYS QG . . 3.240 2.379 2.002 3.395 0.155 1 0 "[ . 1 . 2]" 1
301 1 18 LYS QB 1 19 THR MG . . 4.480 3.883 2.604 4.720 0.240 15 0 "[ . 1 . 2]" 1
302 1 18 LYS QD 1 18 LYS QG . . 2.400 2.066 2.009 2.091 . 0 0 "[ . 1 . 2]" 1
303 1 18 LYS QE 1 18 LYS QG . . 3.290 2.098 1.970 2.250 . 0 0 "[ . 1 . 2]" 1
304 1 18 LYS QG 1 19 THR H . . 4.710 4.054 1.934 4.695 . 0 0 "[ . 1 . 2]" 1
305 1 18 LYS QG 1 19 THR HA . . 5.350 5.285 3.662 6.127 0.777 6 3 "[ * .+ 1 . -2]" 1
306 1 18 LYS QG 1 19 THR MG . . 5.360 4.943 2.394 6.059 0.699 9 5 "[ . -+1* * * 2]" 1
307 1 19 THR H 1 19 THR MG . . 3.880 2.885 2.044 3.795 . 0 0 "[ . 1 . 2]" 1
308 1 19 THR HA 1 19 THR MG . . 2.710 2.554 2.056 3.183 0.473 16 0 "[ . 1 . 2]" 1
309 1 19 THR HA 1 20 SER H . . 3.570 3.401 3.037 3.551 . 0 0 "[ . 1 . 2]" 1
310 1 19 THR HA 1 20 SER QB . . 5.160 5.029 4.654 5.242 0.082 3 0 "[ . 1 . 2]" 1
311 1 19 THR HA 1 76 LEU QD . . 5.150 4.093 3.554 4.870 . 0 0 "[ . 1 . 2]" 1
312 1 19 THR HB 1 76 LEU QD . . 3.790 3.162 1.802 3.651 . 0 0 "[ . 1 . 2]" 1
313 1 19 THR MG 1 20 SER H . . 4.800 3.307 1.857 4.423 . 0 0 "[ . 1 . 2]" 1
314 1 19 THR MG 1 76 LEU QD . . 4.710 2.974 1.910 4.320 . 0 0 "[ . 1 . 2]" 1
315 1 20 SER H 1 20 SER HB3 . . 2.820 2.323 2.074 3.032 0.212 15 0 "[ . 1 . 2]" 1
316 1 20 SER H 1 76 LEU QD . . 5.500 3.544 2.469 4.544 . 0 0 "[ . 1 . 2]" 1
317 1 20 SER HA 1 21 PRO HD2 . . 3.290 2.354 1.958 2.504 . 0 0 "[ . 1 . 2]" 1
318 1 20 SER HA 1 21 PRO HD3 . . 3.330 2.313 2.253 2.701 . 0 0 "[ . 1 . 2]" 1
319 1 20 SER HA 1 76 LEU QD . . 3.800 2.435 1.868 3.501 . 0 0 "[ . 1 . 2]" 1
320 1 20 SER QB 1 76 LEU QD . . 5.150 3.686 3.048 4.443 . 0 0 "[ . 1 . 2]" 1
321 1 21 PRO HA 1 22 SER QB . . 4.120 3.935 3.873 4.008 . 0 0 "[ . 1 . 2]" 1
322 1 21 PRO HA 1 73 THR MG . . 4.900 4.045 3.307 4.901 0.001 5 0 "[ . 1 . 2]" 1
323 1 21 PRO HA 1 76 LEU QD . . 4.890 3.384 2.454 4.671 . 0 0 "[ . 1 . 2]" 1
324 1 21 PRO HB2 1 22 SER H . . 3.920 2.122 1.951 3.140 . 0 0 "[ . 1 . 2]" 1
325 1 21 PRO HB2 1 26 ILE MD . . 4.130 3.036 2.675 3.361 . 0 0 "[ . 1 . 2]" 1
326 1 21 PRO HB2 1 26 ILE HG13 . . 5.130 2.182 1.984 2.588 . 0 0 "[ . 1 . 2]" 1
327 1 21 PRO HB2 1 73 THR MG . . 3.760 2.740 2.236 3.239 . 0 0 "[ . 1 . 2]" 1
328 1 21 PRO HB2 1 76 LEU QD . . 5.500 4.276 3.704 5.280 . 0 0 "[ . 1 . 2]" 1
329 1 21 PRO HB2 1 77 VAL MG2 . . 4.650 3.814 3.347 4.416 . 0 0 "[ . 1 . 2]" 1
330 1 21 PRO HB3 1 26 ILE MD . . 4.540 4.152 3.731 4.545 0.005 5 0 "[ . 1 . 2]" 1
331 1 21 PRO HB3 1 73 THR HA . . 4.410 3.058 2.419 3.528 . 0 0 "[ . 1 . 2]" 1
332 1 21 PRO HB3 1 73 THR MG . . 3.630 2.295 1.951 3.255 . 0 0 "[ . 1 . 2]" 1
333 1 21 PRO HB3 1 76 LEU QD . . 4.390 2.918 2.216 4.035 . 0 0 "[ . 1 . 2]" 1
334 1 21 PRO HD2 1 26 ILE MD . . 5.240 3.963 3.733 4.409 . 0 0 "[ . 1 . 2]" 1
335 1 21 PRO HD2 1 76 LEU HB3 . . 4.680 3.187 2.551 3.627 . 0 0 "[ . 1 . 2]" 1
336 1 21 PRO HD2 1 76 LEU QD . . 4.180 3.382 2.925 3.933 . 0 0 "[ . 1 . 2]" 1
337 1 21 PRO HD2 1 77 VAL MG2 . . 5.250 3.927 3.286 4.450 . 0 0 "[ . 1 . 2]" 1
338 1 21 PRO HD3 1 26 ILE MD . . 5.280 4.665 4.471 5.151 . 0 0 "[ . 1 . 2]" 1
339 1 21 PRO HD3 1 76 LEU HB2 . . 4.710 2.707 2.196 3.374 . 0 0 "[ . 1 . 2]" 1
340 1 21 PRO HD3 1 76 LEU HB3 . . 4.140 2.071 1.947 2.473 . 0 0 "[ . 1 . 2]" 1
341 1 21 PRO HD3 1 76 LEU QD . . 3.790 2.243 1.887 2.798 . 0 0 "[ . 1 . 2]" 1
342 1 21 PRO HG2 1 26 ILE MD . . 3.990 2.078 1.956 2.597 . 0 0 "[ . 1 . 2]" 1
343 1 21 PRO HG2 1 26 ILE HG13 . . 5.160 3.100 2.614 3.753 . 0 0 "[ . 1 . 2]" 1
344 1 21 PRO HG2 1 77 VAL MG2 . . 3.920 3.006 2.361 3.348 . 0 0 "[ . 1 . 2]" 1
345 1 21 PRO HG3 1 26 ILE MD . . 4.670 3.080 2.691 4.050 . 0 0 "[ . 1 . 2]" 1
346 1 21 PRO HG3 1 73 THR HA . . 4.080 3.893 3.165 4.221 0.141 12 0 "[ . 1 . 2]" 1
347 1 21 PRO HG3 1 73 THR MG . . 3.810 3.077 2.113 3.760 . 0 0 "[ . 1 . 2]" 1
348 1 21 PRO HG3 1 76 LEU QD . . 4.340 3.411 2.335 3.888 . 0 0 "[ . 1 . 2]" 1
349 1 22 SER H 1 22 SER QB . . 3.380 2.609 2.350 2.901 . 0 0 "[ . 1 . 2]" 1
350 1 22 SER H 1 23 LYS H . . 4.880 4.436 4.348 4.514 . 0 0 "[ . 1 . 2]" 1
351 1 22 SER H 1 25 GLU H . . 4.500 3.223 2.891 3.631 . 0 0 "[ . 1 . 2]" 1
352 1 22 SER H 1 25 GLU HB2 . . 3.910 1.986 1.921 2.533 . 0 0 "[ . 1 . 2]" 1
353 1 22 SER H 1 25 GLU HB3 . . 3.320 3.162 2.389 3.939 0.619 5 1 "[ + 1 . 2]" 1
354 1 22 SER H 1 25 GLU QG . . 4.180 3.565 2.662 4.020 . 0 0 "[ . 1 . 2]" 1
355 1 22 SER H 1 73 THR MG . . 5.500 3.873 2.927 5.131 . 0 0 "[ . 1 . 2]" 1
356 1 22 SER HA 1 24 LYS H . . 4.350 4.091 3.854 4.342 . 0 0 "[ . 1 . 2]" 1
357 1 22 SER QB 1 23 LYS H . . 4.790 2.781 2.171 3.322 . 0 0 "[ . 1 . 2]" 1
358 1 23 LYS H 1 23 LYS QD . . 4.390 3.697 1.884 4.329 . 0 0 "[ . 1 . 2]" 1
359 1 23 LYS H 1 24 LYS H . . 4.520 2.686 2.392 2.825 . 0 0 "[ . 1 . 2]" 1
360 1 23 LYS HA 1 23 LYS QD . . 4.070 3.711 3.574 3.926 . 0 0 "[ . 1 . 2]" 1
361 1 23 LYS HA 1 23 LYS HG2 . . 3.940 3.391 2.422 4.224 0.284 16 0 "[ . 1 . 2]" 1
362 1 23 LYS HA 1 26 ILE H . . 4.050 3.985 3.647 4.097 0.047 9 0 "[ . 1 . 2]" 1
363 1 23 LYS HA 1 26 ILE HB . . 3.290 3.225 2.730 3.302 0.012 9 0 "[ . 1 . 2]" 1
364 1 23 LYS HA 1 26 ILE MD . . 3.590 3.489 3.151 3.607 0.017 5 0 "[ . 1 . 2]" 1
365 1 23 LYS HA 1 26 ILE MG . . 4.530 4.511 4.103 4.559 0.029 12 0 "[ . 1 . 2]" 1
366 1 23 LYS HB3 1 24 LYS H . . 4.530 3.570 2.617 4.255 . 0 0 "[ . 1 . 2]" 1
367 1 23 LYS QD 1 24 LYS HA . . 3.280 3.150 2.834 3.313 0.033 5 0 "[ . 1 . 2]" 1
368 1 24 LYS H 1 24 LYS HB3 . . 3.310 3.163 2.726 3.542 0.232 1 0 "[ . 1 . 2]" 1
369 1 24 LYS H 1 25 GLU H . . 4.000 2.362 2.091 2.580 . 0 0 "[ . 1 . 2]" 1
370 1 24 LYS H 1 26 ILE H . . 5.160 4.251 3.893 4.604 . 0 0 "[ . 1 . 2]" 1
371 1 24 LYS HA 1 24 LYS QG . . 3.500 2.154 2.004 2.320 . 0 0 "[ . 1 . 2]" 1
372 1 24 LYS HB3 1 25 GLU H . . 3.540 3.066 2.662 3.532 . 0 0 "[ . 1 . 2]" 1
373 1 25 GLU H 1 25 GLU HB3 . . 3.340 3.435 3.228 3.576 0.236 17 0 "[ . 1 . 2]" 1
374 1 25 GLU H 1 25 GLU QG . . 3.410 3.024 2.535 3.453 0.043 8 0 "[ . 1 . 2]" 1
375 1 25 GLU H 1 26 ILE H . . 3.530 2.686 2.429 2.809 . 0 0 "[ . 1 . 2]" 1
376 1 25 GLU H 1 27 GLY H . . 4.830 4.013 3.837 4.186 . 0 0 "[ . 1 . 2]" 1
377 1 25 GLU HA 1 25 GLU QG . . 3.210 2.276 2.135 2.689 . 0 0 "[ . 1 . 2]" 1
378 1 25 GLU HA 1 28 ALA MB . . 3.290 3.122 2.876 3.299 0.009 16 0 "[ . 1 . 2]" 1
379 1 25 GLU HA 1 73 THR MG . . 4.920 3.927 3.475 4.341 . 0 0 "[ . 1 . 2]" 1
380 1 25 GLU HB2 1 26 ILE H . . 4.110 2.620 2.274 3.062 . 0 0 "[ . 1 . 2]" 1
381 1 25 GLU HB2 1 73 THR MG . . 4.620 3.387 2.624 4.214 . 0 0 "[ . 1 . 2]" 1
382 1 25 GLU HB3 1 26 ILE H . . 3.840 2.877 2.410 3.210 . 0 0 "[ . 1 . 2]" 1
383 1 25 GLU HB3 1 26 ILE HG12 . . 4.950 4.530 4.071 4.957 0.007 17 0 "[ . 1 . 2]" 1
384 1 25 GLU HB3 1 26 ILE HG13 . . 5.100 3.846 3.357 4.232 . 0 0 "[ . 1 . 2]" 1
385 1 25 GLU HB3 1 73 THR MG . . 4.880 2.250 1.930 2.739 . 0 0 "[ . 1 . 2]" 1
386 1 25 GLU QG 1 26 ILE H . . 4.630 4.204 4.047 4.420 . 0 0 "[ . 1 . 2]" 1
387 1 25 GLU QG 1 73 THR MG . . 4.450 3.747 3.191 4.179 . 0 0 "[ . 1 . 2]" 1
388 1 26 ILE H 1 26 ILE HB . . 2.980 2.576 2.501 2.629 . 0 0 "[ . 1 . 2]" 1
389 1 26 ILE H 1 26 ILE MD . . 4.200 3.588 3.501 3.642 . 0 0 "[ . 1 . 2]" 1
390 1 26 ILE H 1 26 ILE HG13 . . 3.860 2.044 1.948 2.170 . 0 0 "[ . 1 . 2]" 1
391 1 26 ILE H 1 27 GLY H . . 3.540 2.830 2.629 2.912 . 0 0 "[ . 1 . 2]" 1
392 1 26 ILE H 1 28 ALA H . . 5.040 4.404 4.187 4.840 . 0 0 "[ . 1 . 2]" 1
393 1 26 ILE H 1 73 THR MG . . 5.000 3.126 2.598 3.570 . 0 0 "[ . 1 . 2]" 1
394 1 26 ILE HA 1 26 ILE MD . . 3.850 3.809 3.792 3.875 0.025 5 0 "[ . 1 . 2]" 1
395 1 26 ILE HA 1 26 ILE HG12 . . 3.780 2.497 2.461 2.629 . 0 0 "[ . 1 . 2]" 1
396 1 26 ILE HA 1 26 ILE HG13 . . 3.890 3.033 2.970 3.105 . 0 0 "[ . 1 . 2]" 1
397 1 26 ILE HA 1 26 ILE MG . . 3.180 2.381 2.231 2.426 . 0 0 "[ . 1 . 2]" 1
398 1 26 ILE HA 1 29 MET H . . 4.170 3.347 3.179 3.802 . 0 0 "[ . 1 . 2]" 1
399 1 26 ILE HA 1 29 MET HB2 . . 4.780 3.344 3.091 3.583 . 0 0 "[ . 1 . 2]" 1
400 1 26 ILE HA 1 29 MET HB3 . . 4.010 2.623 2.511 2.684 . 0 0 "[ . 1 . 2]" 1
401 1 26 ILE HA 1 29 MET ME . . 3.890 3.205 2.660 3.699 . 0 0 "[ . 1 . 2]" 1
402 1 26 ILE HA 1 29 MET HG2 . . 5.170 5.174 5.078 5.217 0.047 14 0 "[ . 1 . 2]" 1
403 1 26 ILE HA 1 29 MET HG3 . . 5.110 5.097 4.886 5.144 0.034 8 0 "[ . 1 . 2]" 1
404 1 26 ILE HA 1 30 LEU H . . 5.120 4.268 3.921 4.498 . 0 0 "[ . 1 . 2]" 1
405 1 26 ILE HA 1 73 THR HB . . 5.060 4.100 3.417 4.599 . 0 0 "[ . 1 . 2]" 1
406 1 26 ILE HA 1 73 THR MG . . 3.500 2.169 1.903 2.595 . 0 0 "[ . 1 . 2]" 1
407 1 26 ILE HA 1 77 VAL MG2 . . 4.610 3.725 3.480 3.946 . 0 0 "[ . 1 . 2]" 1
408 1 26 ILE HB 1 26 ILE MD . . 3.100 2.389 2.348 2.438 . 0 0 "[ . 1 . 2]" 1
409 1 26 ILE HB 1 27 GLY H . . 3.380 2.545 2.375 2.736 . 0 0 "[ . 1 . 2]" 1
410 1 26 ILE HB 1 27 GLY QA . . 4.480 3.876 3.779 3.948 . 0 0 "[ . 1 . 2]" 1
411 1 26 ILE MD 1 26 ILE MG . . 3.210 1.975 1.906 2.047 . 0 0 "[ . 1 . 2]" 1
412 1 26 ILE MD 1 27 GLY H . . 4.860 4.543 4.397 4.694 . 0 0 "[ . 1 . 2]" 1
413 1 26 ILE MD 1 29 MET ME . . 4.200 4.219 4.185 4.250 0.050 12 0 "[ . 1 . 2]" 1
414 1 26 ILE HG12 1 77 VAL H . . 5.140 5.118 4.807 5.195 0.055 9 0 "[ . 1 . 2]" 1
415 1 26 ILE HG12 1 77 VAL MG2 . . 3.950 2.308 2.003 2.700 . 0 0 "[ . 1 . 2]" 1
416 1 26 ILE HG13 1 27 GLY H . . 5.400 4.212 4.005 4.308 . 0 0 "[ . 1 . 2]" 1
417 1 26 ILE HG13 1 73 THR MG . . 4.670 3.086 2.447 3.549 . 0 0 "[ . 1 . 2]" 1
418 1 26 ILE MG 1 27 GLY QA . . 4.700 3.337 3.171 3.648 . 0 0 "[ . 1 . 2]" 1
419 1 26 ILE MG 1 29 MET H . . 5.500 4.369 4.040 4.871 . 0 0 "[ . 1 . 2]" 1
420 1 26 ILE MG 1 29 MET ME . . 3.170 2.313 2.056 2.471 . 0 0 "[ . 1 . 2]" 1
421 1 26 ILE MG 1 30 LEU HA . . 5.090 4.914 4.507 5.081 . 0 0 "[ . 1 . 2]" 1
422 1 26 ILE MG 1 30 LEU QD . . 3.800 2.559 1.829 3.137 . 0 0 "[ . 1 . 2]" 1
423 1 27 GLY H 1 28 ALA H . . 3.510 2.862 2.828 2.920 . 0 0 "[ . 1 . 2]" 1
424 1 27 GLY H 1 28 ALA HA . . 5.430 5.431 5.406 5.447 0.017 20 0 "[ . 1 . 2]" 1
425 1 27 GLY H 1 28 ALA MB . . 5.500 4.516 4.448 4.541 . 0 0 "[ . 1 . 2]" 1
426 1 27 GLY QA 1 28 ALA H . . 3.230 2.682 2.509 2.746 . 0 0 "[ . 1 . 2]" 1
427 1 27 GLY QA 1 29 MET H . . 4.820 4.016 3.849 4.212 . 0 0 "[ . 1 . 2]" 1
428 1 27 GLY QA 1 30 LEU H . . 4.330 3.498 3.411 3.651 . 0 0 "[ . 1 . 2]" 1
429 1 27 GLY QA 1 30 LEU HB2 . . 4.080 2.858 2.798 2.914 . 0 0 "[ . 1 . 2]" 1
430 1 27 GLY QA 1 30 LEU HB3 . . 4.360 4.113 3.923 4.249 . 0 0 "[ . 1 . 2]" 1
431 1 27 GLY QA 1 30 LEU QD . . 4.260 3.256 2.968 3.531 . 0 0 "[ . 1 . 2]" 1
432 1 27 GLY QA 1 31 SER H . . 4.870 4.070 3.680 4.443 . 0 0 "[ . 1 . 2]" 1
433 1 28 ALA H 1 28 ALA MB . . 3.100 2.214 2.082 2.249 . 0 0 "[ . 1 . 2]" 1
434 1 28 ALA H 1 29 MET H . . 3.510 2.576 2.455 2.796 . 0 0 "[ . 1 . 2]" 1
435 1 28 ALA H 1 29 MET HA . . 5.420 5.194 5.103 5.368 . 0 0 "[ . 1 . 2]" 1
436 1 28 ALA H 1 29 MET HB2 . . 5.430 4.942 4.836 5.161 . 0 0 "[ . 1 . 2]" 1
437 1 28 ALA H 1 30 LEU H . . 4.590 4.057 3.954 4.170 . 0 0 "[ . 1 . 2]" 1
438 1 28 ALA H 1 30 LEU HB2 . . 5.490 5.081 4.903 5.146 . 0 0 "[ . 1 . 2]" 1
439 1 28 ALA HA 1 30 LEU H . . 4.580 4.154 3.905 4.334 . 0 0 "[ . 1 . 2]" 1
440 1 28 ALA HA 1 31 SER QB . . 3.890 2.839 2.528 3.176 . 0 0 "[ . 1 . 2]" 1
441 1 28 ALA MB 1 29 MET H . . 3.580 2.676 2.509 2.815 . 0 0 "[ . 1 . 2]" 1
442 1 28 ALA MB 1 31 SER QB . . 4.500 4.075 3.772 4.394 . 0 0 "[ . 1 . 2]" 1
443 1 28 ALA MB 1 70 GLU HA . . 5.410 5.160 4.836 5.409 . 0 0 "[ . 1 . 2]" 1
444 1 28 ALA MB 1 70 GLU HG3 . . 5.390 4.159 3.498 5.554 0.164 7 0 "[ . 1 . 2]" 1
445 1 28 ALA MB 1 73 THR MG . . 5.500 4.589 4.369 4.687 . 0 0 "[ . 1 . 2]" 1
446 1 29 MET H 1 29 MET HB2 . . 3.240 2.559 2.495 2.650 . 0 0 "[ . 1 . 2]" 1
447 1 29 MET H 1 29 MET HB3 . . 3.250 2.504 2.461 2.580 . 0 0 "[ . 1 . 2]" 1
448 1 29 MET H 1 30 LEU H . . 3.410 2.584 2.452 2.730 . 0 0 "[ . 1 . 2]" 1
449 1 29 MET H 1 73 THR MG . . 5.040 3.785 3.309 4.061 . 0 0 "[ . 1 . 2]" 1
450 1 29 MET HA 1 29 MET ME . . 4.790 4.092 3.940 4.188 . 0 0 "[ . 1 . 2]" 1
451 1 29 MET HA 1 29 MET HG2 . . 3.570 2.775 2.627 2.842 . 0 0 "[ . 1 . 2]" 1
452 1 29 MET HA 1 29 MET HG3 . . 3.780 2.882 2.850 2.944 . 0 0 "[ . 1 . 2]" 1
453 1 29 MET HA 1 32 LEU HB2 . . 4.380 3.781 3.299 4.402 0.022 16 0 "[ . 1 . 2]" 1
454 1 29 MET HA 1 32 LEU HB3 . . 3.580 3.311 2.800 3.959 0.379 7 0 "[ . 1 . 2]" 1
455 1 29 MET HA 1 32 LEU QD . . 4.400 3.644 3.378 4.011 . 0 0 "[ . 1 . 2]" 1
456 1 29 MET HA 1 33 LEU QD . . 5.170 4.375 3.964 4.861 . 0 0 "[ . 1 . 2]" 1
457 1 29 MET HA 1 58 LEU MD2 . . 5.470 4.955 4.688 5.054 . 0 0 "[ . 1 . 2]" 1
458 1 29 MET HA 1 70 GLU HA . . 4.680 4.092 3.746 4.439 . 0 0 "[ . 1 . 2]" 1
459 1 29 MET HA 1 70 GLU HB3 . . 4.290 3.635 3.070 4.419 0.129 16 0 "[ . 1 . 2]" 1
460 1 29 MET HA 1 73 THR HB . . 5.170 4.773 4.327 5.021 . 0 0 "[ . 1 . 2]" 1
461 1 29 MET HB2 1 30 LEU H . . 3.820 3.998 3.922 4.048 0.228 16 0 "[ . 1 . 2]" 1
462 1 29 MET HB2 1 73 THR HB . . 4.210 2.616 2.291 2.823 . 0 0 "[ . 1 . 2]" 1
463 1 29 MET HB2 1 73 THR MG . . 4.230 2.708 2.008 3.270 . 0 0 "[ . 1 . 2]" 1
464 1 29 MET HB3 1 29 MET ME . . 3.440 2.136 1.960 2.405 . 0 0 "[ . 1 . 2]" 1
465 1 29 MET HB3 1 30 LEU H . . 3.470 2.816 2.673 3.033 . 0 0 "[ . 1 . 2]" 1
466 1 29 MET HB3 1 73 THR MG . . 4.470 3.051 2.325 3.543 . 0 0 "[ . 1 . 2]" 1
467 1 29 MET ME 1 29 MET HG2 . . 3.450 2.385 2.262 2.468 . 0 0 "[ . 1 . 2]" 1
468 1 29 MET ME 1 29 MET HG3 . . 3.740 3.366 3.344 3.373 . 0 0 "[ . 1 . 2]" 1
469 1 29 MET ME 1 30 LEU H . . 4.250 3.208 2.862 3.430 . 0 0 "[ . 1 . 2]" 1
470 1 29 MET ME 1 30 LEU HA . . 4.040 3.057 2.735 3.191 . 0 0 "[ . 1 . 2]" 1
471 1 29 MET ME 1 30 LEU HB2 . . 3.930 3.846 3.683 3.927 . 0 0 "[ . 1 . 2]" 1
472 1 29 MET ME 1 30 LEU HB3 . . 4.760 4.728 4.584 4.789 0.029 16 0 "[ . 1 . 2]" 1
473 1 29 MET ME 1 30 LEU QD . . 3.490 2.666 1.771 3.256 . 0 0 "[ . 1 . 2]" 1
474 1 29 MET ME 1 30 LEU HG . . 4.030 3.089 2.538 3.814 . 0 0 "[ . 1 . 2]" 1
475 1 29 MET ME 1 33 LEU QD . . 3.760 2.534 2.183 3.562 . 0 0 "[ . 1 . 2]" 1
476 1 29 MET ME 1 58 LEU MD1 . . 4.840 4.560 4.261 4.770 . 0 0 "[ . 1 . 2]" 1
477 1 29 MET ME 1 73 THR HB . . 5.120 4.045 3.648 4.595 . 0 0 "[ . 1 . 2]" 1
478 1 29 MET ME 1 73 THR MG . . 3.870 3.327 2.735 3.834 . 0 0 "[ . 1 . 2]" 1
479 1 29 MET ME 1 74 TRP HA . . 4.010 3.786 3.451 4.001 . 0 0 "[ . 1 . 2]" 1
480 1 29 MET ME 1 74 TRP HB2 . . 4.530 4.451 4.110 4.561 0.031 17 0 "[ . 1 . 2]" 1
481 1 29 MET ME 1 74 TRP HE3 . . 3.610 2.748 2.253 3.004 . 0 0 "[ . 1 . 2]" 1
482 1 29 MET ME 1 74 TRP HH2 . . 5.500 5.080 4.830 5.443 . 0 0 "[ . 1 . 2]" 1
483 1 29 MET ME 1 74 TRP HZ3 . . 4.300 3.039 2.683 3.384 . 0 0 "[ . 1 . 2]" 1
484 1 29 MET ME 1 77 VAL MG1 . . 3.540 3.146 2.516 3.555 0.015 12 0 "[ . 1 . 2]" 1
485 1 29 MET ME 1 77 VAL MG2 . . 3.440 2.857 2.326 3.247 . 0 0 "[ . 1 . 2]" 1
486 1 29 MET HG2 1 33 LEU H . . 4.820 4.317 3.989 4.826 0.006 14 0 "[ . 1 . 2]" 1
487 1 29 MET HG2 1 33 LEU QD . . 4.470 2.506 1.967 2.971 . 0 0 "[ . 1 . 2]" 1
488 1 29 MET HG2 1 58 LEU MD1 . . 5.160 3.954 3.665 4.240 . 0 0 "[ . 1 . 2]" 1
489 1 29 MET HG2 1 58 LEU MD2 . . 5.160 4.164 3.769 4.557 . 0 0 "[ . 1 . 2]" 1
490 1 29 MET HG2 1 70 GLU HB3 . . 5.170 3.725 3.385 4.306 . 0 0 "[ . 1 . 2]" 1
491 1 29 MET HG2 1 73 THR HB . . 4.990 4.230 3.818 4.728 . 0 0 "[ . 1 . 2]" 1
492 1 29 MET HG2 1 73 THR MG . . 5.130 4.637 3.983 5.133 0.003 12 0 "[ . 1 . 2]" 1
493 1 29 MET HG3 1 33 LEU QD . . 4.840 3.633 3.109 3.956 . 0 0 "[ . 1 . 2]" 1
494 1 29 MET HG3 1 58 LEU MD1 . . 4.930 3.599 3.080 3.863 . 0 0 "[ . 1 . 2]" 1
495 1 29 MET HG3 1 58 LEU MD2 . . 5.200 3.873 3.331 4.406 . 0 0 "[ . 1 . 2]" 1
496 1 29 MET HG3 1 70 GLU HA . . 4.800 3.382 2.878 3.869 . 0 0 "[ . 1 . 2]" 1
497 1 29 MET HG3 1 70 GLU HB3 . . 4.560 2.571 2.032 3.246 . 0 0 "[ . 1 . 2]" 1
498 1 29 MET HG3 1 73 THR HB . . 4.230 2.858 2.346 3.359 . 0 0 "[ . 1 . 2]" 1
499 1 29 MET HG3 1 73 THR MG . . 4.790 3.945 3.352 4.568 . 0 0 "[ . 1 . 2]" 1
500 1 29 MET HG3 1 74 TRP H . . 4.830 3.868 3.156 4.337 . 0 0 "[ . 1 . 2]" 1
501 1 29 MET HG3 1 74 TRP HB2 . . 5.190 3.534 3.300 3.780 . 0 0 "[ . 1 . 2]" 1
502 1 30 LEU H 1 30 LEU HB2 . . 2.980 2.084 2.051 2.125 . 0 0 "[ . 1 . 2]" 1
503 1 30 LEU H 1 30 LEU HB3 . . 3.480 3.348 3.273 3.392 . 0 0 "[ . 1 . 2]" 1
504 1 30 LEU H 1 30 LEU QD . . 3.990 3.250 2.466 3.653 . 0 0 "[ . 1 . 2]" 1
505 1 30 LEU H 1 31 SER H . . 3.370 2.596 2.475 2.813 . 0 0 "[ . 1 . 2]" 1
506 1 30 LEU H 1 32 LEU H . . 5.160 3.891 3.704 4.003 . 0 0 "[ . 1 . 2]" 1
507 1 30 LEU HA 1 30 LEU QD . . 3.240 2.138 1.963 2.412 . 0 0 "[ . 1 . 2]" 1
508 1 30 LEU HA 1 30 LEU HG . . 3.820 2.597 2.423 2.713 . 0 0 "[ . 1 . 2]" 1
509 1 30 LEU HA 1 33 LEU HB2 . . 3.980 2.514 2.262 2.629 . 0 0 "[ . 1 . 2]" 1
510 1 30 LEU HA 1 33 LEU HB3 . . 4.660 4.124 3.888 4.228 . 0 0 "[ . 1 . 2]" 1
511 1 30 LEU HA 1 33 LEU QD . . 3.830 2.861 2.493 3.450 . 0 0 "[ . 1 . 2]" 1
512 1 30 LEU HA 1 33 LEU HG . . 4.520 3.956 3.246 4.519 . 0 0 "[ . 1 . 2]" 1
513 1 30 LEU HB2 1 31 SER H . . 3.530 2.868 2.720 3.038 . 0 0 "[ . 1 . 2]" 1
514 1 30 LEU HB3 1 31 SER H . . 3.680 2.875 2.539 3.048 . 0 0 "[ . 1 . 2]" 1
515 1 30 LEU HB3 1 31 SER HA . . 4.880 3.823 3.726 3.888 . 0 0 "[ . 1 . 2]" 1
516 1 30 LEU HB3 1 32 LEU H . . 5.430 4.849 4.829 4.872 . 0 0 "[ . 1 . 2]" 1
517 1 30 LEU QD 1 31 SER H . . 4.830 3.969 3.781 4.074 . 0 0 "[ . 1 . 2]" 1
518 1 30 LEU QD 1 42 PRO HA . . 3.530 2.104 1.818 3.082 . 0 0 "[ . 1 . 2]" 1
519 1 30 LEU QD 1 42 PRO HB2 . . 3.750 2.631 2.313 3.033 . 0 0 "[ . 1 . 2]" 1
520 1 30 LEU QD 1 42 PRO HG3 . . 4.450 4.003 3.701 4.266 . 0 0 "[ . 1 . 2]" 1
521 1 31 SER H 1 31 SER QB . . 2.980 2.327 2.116 2.747 . 0 0 "[ . 1 . 2]" 1
522 1 31 SER H 1 32 LEU H . . 3.410 2.745 2.706 2.796 . 0 0 "[ . 1 . 2]" 1
523 1 31 SER HA 1 31 SER QB . . 2.690 2.361 2.199 2.484 . 0 0 "[ . 1 . 2]" 1
524 1 31 SER HA 1 34 GLN H . . 4.010 3.777 3.424 3.942 . 0 0 "[ . 1 . 2]" 1
525 1 31 SER HA 1 34 GLN QB . . 3.390 3.096 2.870 3.388 . 0 0 "[ . 1 . 2]" 1
526 1 31 SER HA 1 34 GLN HG2 . . 4.570 4.543 4.333 4.583 0.013 20 0 "[ . 1 . 2]" 1
527 1 31 SER HA 1 34 GLN HG3 . . 4.720 2.940 2.698 3.179 . 0 0 "[ . 1 . 2]" 1
528 1 31 SER QB 1 32 LEU H . . 3.520 2.877 2.664 3.081 . 0 0 "[ . 1 . 2]" 1
529 1 32 LEU H 1 32 LEU HB2 . . 3.190 2.559 2.223 2.882 . 0 0 "[ . 1 . 2]" 1
530 1 32 LEU H 1 32 LEU HB3 . . 3.180 2.564 2.213 2.966 . 0 0 "[ . 1 . 2]" 1
531 1 32 LEU H 1 32 LEU QD . . 4.860 3.732 3.613 3.778 . 0 0 "[ . 1 . 2]" 1
532 1 32 LEU H 1 32 LEU HG . . 5.200 4.371 4.189 4.644 . 0 0 "[ . 1 . 2]" 1
533 1 32 LEU H 1 33 LEU H . . 3.490 2.479 2.269 2.647 . 0 0 "[ . 1 . 2]" 1
534 1 32 LEU H 1 33 LEU QD . . 5.420 4.657 3.727 5.077 . 0 0 "[ . 1 . 2]" 1
535 1 32 LEU H 1 34 GLN H . . 5.030 3.798 3.662 4.024 . 0 0 "[ . 1 . 2]" 1
536 1 32 LEU HA 1 32 LEU HB3 . . 2.970 2.996 2.940 3.015 0.045 5 0 "[ . 1 . 2]" 1
537 1 32 LEU HA 1 32 LEU QD . . 3.180 2.430 1.981 2.990 . 0 0 "[ . 1 . 2]" 1
538 1 32 LEU HA 1 32 LEU HG . . 3.840 2.915 2.275 3.688 . 0 0 "[ . 1 . 2]" 1
539 1 32 LEU HA 1 35 LYS H . . 3.800 3.421 3.137 3.715 . 0 0 "[ . 1 . 2]" 1
540 1 32 LEU HA 1 35 LYS QB . . 3.340 2.916 2.503 3.382 0.042 1 0 "[ . 1 . 2]" 1
541 1 32 LEU HA 1 35 LYS QE . . 4.790 3.436 2.326 4.010 . 0 0 "[ . 1 . 2]" 1
542 1 32 LEU HB2 1 33 LEU H . . 3.840 3.738 3.323 4.103 0.263 15 0 "[ . 1 . 2]" 1
543 1 32 LEU HB2 1 70 GLU HG2 . . 4.930 3.567 2.705 5.364 0.434 16 0 "[ . 1 . 2]" 1
544 1 32 LEU QD 1 33 LEU H . . 4.510 3.628 3.026 4.144 . 0 0 "[ . 1 . 2]" 1
545 1 32 LEU QD 1 33 LEU HA . . 4.820 3.701 2.832 4.380 . 0 0 "[ . 1 . 2]" 1
546 1 32 LEU QD 1 35 LYS H . . 5.500 4.433 3.679 4.861 . 0 0 "[ . 1 . 2]" 1
547 1 32 LEU QD 1 35 LYS QB . . 3.920 3.454 2.786 3.942 0.022 14 0 "[ . 1 . 2]" 1
548 1 32 LEU QD 1 35 LYS QE . . 4.440 3.067 1.955 4.015 . 0 0 "[ . 1 . 2]" 1
549 1 32 LEU QD 1 36 GLU H . . 5.160 3.332 2.997 3.677 . 0 0 "[ . 1 . 2]" 1
550 1 32 LEU QD 1 36 GLU HA . . 4.510 4.240 3.961 4.445 . 0 0 "[ . 1 . 2]" 1
551 1 32 LEU QD 1 36 GLU HB2 . . 4.790 3.388 2.700 3.890 . 0 0 "[ . 1 . 2]" 1
552 1 32 LEU QD 1 36 GLU HB3 . . 4.780 4.149 3.731 4.600 . 0 0 "[ . 1 . 2]" 1
553 1 32 LEU QD 1 36 GLU QG . . 3.990 1.947 1.674 2.234 . 0 0 "[ . 1 . 2]" 1
554 1 32 LEU QD 1 61 ARG QD . . 4.190 2.933 1.978 3.552 . 0 0 "[ . 1 . 2]" 1
555 1 32 LEU QD 1 61 ARG HE . . 5.500 3.554 1.945 4.895 . 0 0 "[ . 1 . 2]" 1
556 1 32 LEU QD 1 70 GLU HB2 . . 4.370 2.954 2.166 3.807 . 0 0 "[ . 1 . 2]" 1
557 1 32 LEU QD 1 70 GLU HB3 . . 4.760 3.364 2.518 4.155 . 0 0 "[ . 1 . 2]" 1
558 1 32 LEU QD 1 70 GLU HG2 . . 3.790 2.270 1.887 3.266 . 0 0 "[ . 1 . 2]" 1
559 1 32 LEU HG 1 33 LEU H . . 4.710 4.159 2.931 5.214 0.504 14 1 "[ . 1 +. 2]" 1
560 1 32 LEU HG 1 36 GLU QG . . 4.410 3.067 1.941 3.997 . 0 0 "[ . 1 . 2]" 1
561 1 33 LEU H 1 33 LEU HB2 . . 3.110 2.249 2.129 2.444 . 0 0 "[ . 1 . 2]" 1
562 1 33 LEU H 1 33 LEU HB3 . . 3.690 3.524 3.442 3.582 . 0 0 "[ . 1 . 2]" 1
563 1 33 LEU H 1 33 LEU QD . . 4.010 3.087 1.926 3.516 . 0 0 "[ . 1 . 2]" 1
564 1 33 LEU H 1 33 LEU HG . . 3.170 2.916 2.348 3.489 0.319 10 0 "[ . 1 . 2]" 1
565 1 33 LEU HA 1 33 LEU QD . . 3.210 2.093 1.899 2.404 . 0 0 "[ . 1 . 2]" 1
566 1 33 LEU HA 1 36 GLU H . . 4.260 3.883 3.765 4.003 . 0 0 "[ . 1 . 2]" 1
567 1 33 LEU HA 1 36 GLU HB2 . . 4.090 2.868 2.623 3.310 . 0 0 "[ . 1 . 2]" 1
568 1 33 LEU HA 1 36 GLU QG . . 5.060 3.728 3.340 4.195 . 0 0 "[ . 1 . 2]" 1
569 1 33 LEU HA 1 38 LEU HB2 . . 4.100 2.898 2.599 3.010 . 0 0 "[ . 1 . 2]" 1
570 1 33 LEU HA 1 38 LEU HB3 . . 4.510 4.478 4.141 4.528 0.018 20 0 "[ . 1 . 2]" 1
571 1 33 LEU HA 1 38 LEU QD . . 3.710 2.682 1.914 3.037 . 0 0 "[ . 1 . 2]" 1
572 1 33 LEU HA 1 38 LEU HG . . 4.790 4.358 3.542 4.764 . 0 0 "[ . 1 . 2]" 1
573 1 33 LEU HA 1 39 LEU HG . . 5.360 4.368 4.009 4.686 . 0 0 "[ . 1 . 2]" 1
574 1 33 LEU HA 1 54 ILE MG . . 5.450 4.801 4.493 5.128 . 0 0 "[ . 1 . 2]" 1
575 1 33 LEU HB2 1 38 LEU HB3 . . 5.500 5.917 5.614 6.275 0.775 15 7 "[* . ** 1* *+ - 2]" 1
576 1 33 LEU HB2 1 39 LEU MD1 . . 5.010 2.706 2.369 3.147 . 0 0 "[ . 1 . 2]" 1
577 1 33 LEU HB3 1 34 GLN H . . 4.020 3.652 3.312 3.885 . 0 0 "[ . 1 . 2]" 1
578 1 33 LEU HB3 1 38 LEU H . . 4.320 4.570 4.257 5.244 0.924 1 3 "[+ . 1 *- 2]" 1
579 1 33 LEU QD 1 38 LEU H . . 4.940 4.012 3.826 4.214 . 0 0 "[ . 1 . 2]" 1
580 1 33 LEU QD 1 38 LEU HB2 . . 4.270 2.110 1.945 2.430 . 0 0 "[ . 1 . 2]" 1
581 1 33 LEU QD 1 38 LEU QD . . 3.240 1.916 1.793 2.066 . 0 0 "[ . 1 . 2]" 1
582 1 33 LEU QD 1 38 LEU HG . . 3.890 3.780 2.913 3.873 . 0 0 "[ . 1 . 2]" 1
583 1 33 LEU QD 1 39 LEU HB2 . . 5.290 3.658 3.402 3.938 . 0 0 "[ . 1 . 2]" 1
584 1 33 LEU QD 1 54 ILE HA . . 4.470 3.312 3.056 3.569 . 0 0 "[ . 1 . 2]" 1
585 1 33 LEU QD 1 54 ILE HB . . 5.500 3.879 3.624 4.067 . 0 0 "[ . 1 . 2]" 1
586 1 33 LEU QD 1 54 ILE MD . . 4.220 2.610 1.895 3.066 . 0 0 "[ . 1 . 2]" 1
587 1 33 LEU QD 1 54 ILE HG12 . . 4.790 2.542 1.983 2.910 . 0 0 "[ . 1 . 2]" 1
588 1 33 LEU QD 1 54 ILE MG . . 3.490 1.749 1.672 1.819 . 0 0 "[ . 1 . 2]" 1
589 1 33 LEU QD 1 74 TRP HE3 . . 5.500 3.600 3.009 4.538 . 0 0 "[ . 1 . 2]" 1
590 1 33 LEU QD 1 74 TRP HZ3 . . 5.500 3.633 2.964 4.333 . 0 0 "[ . 1 . 2]" 1
591 1 33 LEU HG 1 54 ILE MG . . 5.460 3.760 3.186 4.102 . 0 0 "[ . 1 . 2]" 1
592 1 34 GLN H 1 34 GLN QB . . 2.950 2.466 2.325 2.584 . 0 0 "[ . 1 . 2]" 1
593 1 34 GLN H 1 34 GLN HG3 . . 3.690 2.841 2.325 3.268 . 0 0 "[ . 1 . 2]" 1
594 1 34 GLN H 1 35 LYS H . . 3.040 2.512 2.057 2.927 . 0 0 "[ . 1 . 2]" 1
595 1 34 GLN H 1 39 LEU MD1 . . 5.100 4.707 4.480 5.091 . 0 0 "[ . 1 . 2]" 1
596 1 34 GLN HA 1 34 GLN HG2 . . 3.400 2.468 2.361 2.632 . 0 0 "[ . 1 . 2]" 1
597 1 34 GLN HA 1 34 GLN HG3 . . 3.760 3.643 3.535 3.775 0.015 20 0 "[ . 1 . 2]" 1
598 1 34 GLN HA 1 38 LEU H . . 4.310 4.067 3.584 4.328 0.018 20 0 "[ . 1 . 2]" 1
599 1 34 GLN HA 1 39 LEU H . . 3.760 2.893 2.539 3.036 . 0 0 "[ . 1 . 2]" 1
600 1 34 GLN HA 1 39 LEU HB2 . . 3.980 3.043 2.907 3.143 . 0 0 "[ . 1 . 2]" 1
601 1 34 GLN HA 1 39 LEU HB3 . . 4.880 4.345 4.299 4.381 . 0 0 "[ . 1 . 2]" 1
602 1 34 GLN HA 1 39 LEU MD1 . . 5.380 4.783 4.681 4.885 . 0 0 "[ . 1 . 2]" 1
603 1 34 GLN HA 1 39 LEU HG . . 5.170 4.986 4.595 5.163 . 0 0 "[ . 1 . 2]" 1
604 1 34 GLN HA 1 40 MET HA . . 4.340 4.299 4.160 4.379 0.039 16 0 "[ . 1 . 2]" 1
605 1 34 GLN QB 1 35 LYS H . . 3.190 2.411 2.065 2.806 . 0 0 "[ . 1 . 2]" 1
606 1 34 GLN QB 1 37 GLY H . . 4.930 4.780 4.585 5.052 0.122 20 0 "[ . 1 . 2]" 1
607 1 34 GLN QB 1 40 MET HA . . 4.990 4.590 4.302 4.917 . 0 0 "[ . 1 . 2]" 1
608 1 34 GLN HE21 1 40 MET HA . . 5.350 3.527 2.652 5.279 . 0 0 "[ . 1 . 2]" 1
609 1 34 GLN HE21 1 41 SER HA . . 5.500 3.416 2.624 4.326 . 0 0 "[ . 1 . 2]" 1
610 1 34 GLN HE22 1 39 LEU HB3 . . 5.500 5.065 4.066 6.139 0.639 10 1 "[ . + . 2]" 1
611 1 34 GLN HE22 1 41 SER HA . . 5.500 2.237 1.948 2.927 . 0 0 "[ . 1 . 2]" 1
612 1 34 GLN HG2 1 39 LEU H . . 5.240 4.525 4.077 4.726 . 0 0 "[ . 1 . 2]" 1
613 1 34 GLN HG2 1 39 LEU HB2 . . 4.330 2.840 2.400 3.048 . 0 0 "[ . 1 . 2]" 1
614 1 34 GLN HG2 1 39 LEU MD1 . . 4.950 3.828 3.653 3.976 . 0 0 "[ . 1 . 2]" 1
615 1 34 GLN HG2 1 39 LEU HG . . 5.450 5.073 4.647 5.308 . 0 0 "[ . 1 . 2]" 1
616 1 34 GLN HG3 1 39 LEU HB2 . . 4.610 4.510 3.987 4.616 0.006 14 0 "[ . 1 . 2]" 1
617 1 34 GLN HG3 1 39 LEU MD1 . . 4.960 4.885 4.593 4.960 0.000 18 0 "[ . 1 . 2]" 1
618 1 35 LYS H 1 35 LYS QB . . 2.810 2.255 2.112 2.434 . 0 0 "[ . 1 . 2]" 1
619 1 35 LYS H 1 35 LYS QG . . 4.110 3.539 2.251 4.019 . 0 0 "[ . 1 . 2]" 1
620 1 35 LYS H 1 36 GLU H . . 3.560 2.703 2.434 2.900 . 0 0 "[ . 1 . 2]" 1
621 1 35 LYS H 1 36 GLU HB2 . . 4.710 4.654 4.478 4.732 0.022 20 0 "[ . 1 . 2]" 1
622 1 35 LYS H 1 37 GLY H . . 4.970 3.982 3.783 4.658 . 0 0 "[ . 1 . 2]" 1
623 1 35 LYS HA 1 35 LYS QB . . 2.620 2.381 2.175 2.520 . 0 0 "[ . 1 . 2]" 1
624 1 35 LYS QB 1 35 LYS QE . . 4.000 2.299 1.966 3.090 . 0 0 "[ . 1 . 2]" 1
625 1 35 LYS QB 1 36 GLU H . . 3.340 2.562 2.297 3.465 0.125 14 0 "[ . 1 . 2]" 1
626 1 35 LYS QB 1 36 GLU HA . . 4.420 4.026 3.765 4.498 0.078 1 0 "[ . 1 . 2]" 1
627 1 35 LYS QB 1 37 GLY H . . 4.990 4.482 4.328 5.055 0.065 20 0 "[ . 1 . 2]" 1
628 1 35 LYS QE 1 35 LYS QG . . 3.390 2.226 1.944 2.502 . 0 0 "[ . 1 . 2]" 1
629 1 35 LYS QE 1 36 GLU QG . . 4.360 3.688 2.814 4.835 0.475 16 0 "[ . 1 . 2]" 1
630 1 35 LYS QG 1 36 GLU H . . 4.430 3.834 2.174 4.421 . 0 0 "[ . 1 . 2]" 1
631 1 36 GLU H 1 36 GLU HB2 . . 3.260 2.307 2.149 2.482 . 0 0 "[ . 1 . 2]" 1
632 1 36 GLU H 1 36 GLU HB3 . . 3.540 3.547 3.452 3.606 0.066 14 0 "[ . 1 . 2]" 1
633 1 36 GLU H 1 37 GLY H . . 3.480 2.690 2.539 2.766 . 0 0 "[ . 1 . 2]" 1
634 1 36 GLU H 1 38 LEU H . . 4.420 4.074 3.678 4.193 . 0 0 "[ . 1 . 2]" 1
635 1 36 GLU H 1 38 LEU QD . . 4.930 4.487 3.396 4.789 . 0 0 "[ . 1 . 2]" 1
636 1 36 GLU H 1 39 LEU H . . 5.500 5.370 5.053 5.497 . 0 0 "[ . 1 . 2]" 1
637 1 36 GLU HB2 1 37 GLY H . . 4.560 3.083 2.576 3.438 . 0 0 "[ . 1 . 2]" 1
638 1 36 GLU HB2 1 38 LEU H . . 4.430 3.086 2.712 3.375 . 0 0 "[ . 1 . 2]" 1
639 1 36 GLU HB2 1 38 LEU QD . . 3.920 2.616 1.959 2.916 . 0 0 "[ . 1 . 2]" 1
640 1 36 GLU HB3 1 37 GLY H . . 4.350 3.719 2.816 4.234 . 0 0 "[ . 1 . 2]" 1
641 1 36 GLU HB3 1 38 LEU H . . 4.680 3.554 3.031 3.839 . 0 0 "[ . 1 . 2]" 1
642 1 36 GLU HB3 1 38 LEU QD . . 3.670 2.607 1.875 2.843 . 0 0 "[ . 1 . 2]" 1
643 1 36 GLU HB3 1 38 LEU HG . . 4.130 2.800 2.115 4.421 0.291 20 0 "[ . 1 . 2]" 1
644 1 36 GLU QG 1 38 LEU QD . . 5.490 3.007 2.473 3.494 . 0 0 "[ . 1 . 2]" 1
645 1 37 GLY H 1 38 LEU H . . 3.330 2.255 1.799 2.556 . 0 0 "[ . 1 . 2]" 1
646 1 37 GLY H 1 38 LEU HB2 . . 4.910 4.426 4.081 4.745 . 0 0 "[ . 1 . 2]" 1
647 1 37 GLY H 1 38 LEU QD . . 5.220 4.359 2.425 4.671 . 0 0 "[ . 1 . 2]" 1
648 1 37 GLY H 1 38 LEU HG . . 4.790 4.374 3.708 5.238 0.448 20 0 "[ . 1 . 2]" 1
649 1 37 GLY H 1 39 LEU H . . 4.410 3.567 3.193 3.696 . 0 0 "[ . 1 . 2]" 1
650 1 37 GLY HA2 1 39 LEU H . . 5.310 3.697 3.428 3.854 . 0 0 "[ . 1 . 2]" 1
651 1 37 GLY HA3 1 39 LEU H . . 5.480 4.770 4.465 4.912 . 0 0 "[ . 1 . 2]" 1
652 1 38 LEU H 1 38 LEU HB2 . . 3.370 2.424 2.303 2.643 . 0 0 "[ . 1 . 2]" 1
653 1 38 LEU H 1 38 LEU QD . . 3.940 3.146 1.686 3.354 . 0 0 "[ . 1 . 2]" 1
654 1 38 LEU H 1 38 LEU HG . . 3.330 2.708 2.111 3.736 0.406 20 0 "[ . 1 . 2]" 1
655 1 38 LEU H 1 39 LEU H . . 3.240 2.304 2.090 2.578 . 0 0 "[ . 1 . 2]" 1
656 1 38 LEU H 1 39 LEU HA . . 5.420 5.002 4.825 5.220 . 0 0 "[ . 1 . 2]" 1
657 1 38 LEU H 1 39 LEU HG . . 4.980 4.654 4.493 4.976 . 0 0 "[ . 1 . 2]" 1
658 1 38 LEU HA 1 38 LEU QD . . 2.950 2.353 1.940 2.537 . 0 0 "[ . 1 . 2]" 1
659 1 38 LEU HA 1 38 LEU HG . . 3.430 2.907 2.664 3.610 0.180 20 0 "[ . 1 . 2]" 1
660 1 38 LEU HA 1 39 LEU MD2 . . 5.500 4.355 4.178 4.544 . 0 0 "[ . 1 . 2]" 1
661 1 38 LEU HB2 1 38 LEU QD . . 2.900 2.137 1.997 2.233 . 0 0 "[ . 1 . 2]" 1
662 1 38 LEU HB3 1 39 LEU MD2 . . 4.770 3.513 3.153 3.927 . 0 0 "[ . 1 . 2]" 1
663 1 38 LEU HB3 1 54 ILE HG12 . . 3.330 2.284 1.936 2.639 . 0 0 "[ . 1 . 2]" 1
664 1 38 LEU HB3 1 54 ILE MG . . 5.230 3.742 3.239 4.202 . 0 0 "[ . 1 . 2]" 1
665 1 38 LEU QD 1 53 PRO HA . . 5.110 4.160 3.715 4.560 . 0 0 "[ . 1 . 2]" 1
666 1 38 LEU QD 1 53 PRO HB2 . . 4.480 2.905 2.298 3.151 . 0 0 "[ . 1 . 2]" 1
667 1 38 LEU QD 1 54 ILE H . . 5.000 4.215 4.019 4.838 . 0 0 "[ . 1 . 2]" 1
668 1 38 LEU QD 1 54 ILE HA . . 3.910 2.506 2.238 3.357 . 0 0 "[ . 1 . 2]" 1
669 1 38 LEU QD 1 54 ILE HG12 . . 4.210 2.842 2.472 3.799 . 0 0 "[ . 1 . 2]" 1
670 1 38 LEU QD 1 54 ILE HG13 . . 4.690 3.344 3.019 4.213 . 0 0 "[ . 1 . 2]" 1
671 1 38 LEU QD 1 54 ILE MG . . 4.190 2.949 2.445 3.672 . 0 0 "[ . 1 . 2]" 1
672 1 38 LEU QD 1 57 ALA MB . . 2.970 1.979 1.758 2.226 . 0 0 "[ . 1 . 2]" 1
673 1 38 LEU QD 1 58 LEU H . . 5.400 3.975 3.440 4.600 . 0 0 "[ . 1 . 2]" 1
674 1 38 LEU QD 1 58 LEU HA . . 5.290 4.498 3.956 5.073 . 0 0 "[ . 1 . 2]" 1
675 1 39 LEU H 1 39 LEU HB2 . . 3.730 2.711 2.645 2.793 . 0 0 "[ . 1 . 2]" 1
676 1 39 LEU H 1 39 LEU HB3 . . 3.860 3.818 3.779 3.862 0.002 14 0 "[ . 1 . 2]" 1
677 1 39 LEU H 1 39 LEU HG . . 4.550 3.268 3.130 3.384 . 0 0 "[ . 1 . 2]" 1
678 1 39 LEU H 1 40 MET H . . 4.630 4.360 3.971 4.414 . 0 0 "[ . 1 . 2]" 1
679 1 39 LEU HA 1 39 LEU MD2 . . 3.270 1.966 1.938 2.033 . 0 0 "[ . 1 . 2]" 1
680 1 39 LEU HA 1 39 LEU HG . . 4.100 3.181 3.105 3.258 . 0 0 "[ . 1 . 2]" 1
681 1 39 LEU HA 1 40 MET H . . 2.860 2.232 2.179 2.267 . 0 0 "[ . 1 . 2]" 1
682 1 39 LEU HA 1 40 MET QB . . 4.930 4.038 3.985 4.603 . 0 0 "[ . 1 . 2]" 1
683 1 39 LEU HA 1 44 ASP HB2 . . 4.190 4.141 3.669 4.232 0.042 20 0 "[ . 1 . 2]" 1
684 1 39 LEU HA 1 44 ASP HB3 . . 4.300 3.959 3.571 4.312 0.012 16 0 "[ . 1 . 2]" 1
685 1 39 LEU HA 1 54 ILE MD . . 5.430 4.398 4.081 4.571 . 0 0 "[ . 1 . 2]" 1
686 1 39 LEU HB2 1 39 LEU MD1 . . 3.590 2.383 2.258 2.463 . 0 0 "[ . 1 . 2]" 1
687 1 39 LEU HB2 1 39 LEU MD2 . . 3.630 3.178 3.176 3.181 . 0 0 "[ . 1 . 2]" 1
688 1 39 LEU HB2 1 40 MET H . . 4.420 4.005 3.883 4.423 0.003 5 0 "[ . 1 . 2]" 1
689 1 39 LEU HB2 1 41 SER H . . 4.660 4.082 3.481 4.470 . 0 0 "[ . 1 . 2]" 1
690 1 39 LEU HB2 1 54 ILE MD . . 4.920 4.786 4.388 4.934 0.014 16 0 "[ . 1 . 2]" 1
691 1 39 LEU HB3 1 40 MET H . . 4.390 2.929 2.769 3.797 . 0 0 "[ . 1 . 2]" 1
692 1 39 LEU HB3 1 41 SER H . . 4.290 2.766 2.424 3.283 . 0 0 "[ . 1 . 2]" 1
693 1 39 LEU HB3 1 42 PRO HA . . 4.840 4.784 4.239 4.872 0.032 11 0 "[ . 1 . 2]" 1
694 1 39 LEU HB3 1 44 ASP HB2 . . 4.950 2.712 2.254 3.304 . 0 0 "[ . 1 . 2]" 1
695 1 39 LEU HB3 1 44 ASP HB3 . . 5.180 3.221 2.522 3.786 . 0 0 "[ . 1 . 2]" 1
696 1 39 LEU MD1 1 41 SER H . . 4.630 4.360 4.107 4.955 0.325 5 0 "[ . 1 . 2]" 1
697 1 39 LEU MD1 1 42 PRO HA . . 3.900 3.861 3.620 3.912 0.012 16 0 "[ . 1 . 2]" 1
698 1 39 LEU MD1 1 44 ASP H . . 4.220 3.943 3.607 4.212 . 0 0 "[ . 1 . 2]" 1
699 1 39 LEU MD1 1 44 ASP HB2 . . 3.740 2.759 2.000 3.733 . 0 0 "[ . 1 . 2]" 1
700 1 39 LEU MD1 1 44 ASP HB3 . . 3.880 2.815 1.966 3.516 . 0 0 "[ . 1 . 2]" 1
701 1 39 LEU MD1 1 54 ILE MG . . 5.020 3.355 3.174 3.643 . 0 0 "[ . 1 . 2]" 1
702 1 39 LEU MD2 1 40 MET H . . 4.460 3.230 3.094 3.680 . 0 0 "[ . 1 . 2]" 1
703 1 39 LEU MD2 1 44 ASP HB2 . . 4.340 2.704 2.330 3.245 . 0 0 "[ . 1 . 2]" 1
704 1 39 LEU MD2 1 44 ASP HB3 . . 3.970 1.981 1.891 2.587 . 0 0 "[ . 1 . 2]" 1
705 1 39 LEU MD2 1 50 SER HB2 . . 4.560 3.838 3.263 4.421 . 0 0 "[ . 1 . 2]" 1
706 1 39 LEU MD2 1 50 SER HB3 . . 4.560 3.331 2.835 3.550 . 0 0 "[ . 1 . 2]" 1
707 1 39 LEU MD2 1 51 TRP HD1 . . 5.100 4.829 4.410 5.179 0.079 13 0 "[ . 1 . 2]" 1
708 1 39 LEU MD2 1 54 ILE MD . . 3.580 1.884 1.778 1.972 . 0 0 "[ . 1 . 2]" 1
709 1 39 LEU MD2 1 54 ILE HG13 . . 5.500 3.607 3.349 3.837 . 0 0 "[ . 1 . 2]" 1
710 1 39 LEU HG 1 40 MET H . . 5.340 5.076 4.994 5.313 . 0 0 "[ . 1 . 2]" 1
711 1 39 LEU HG 1 54 ILE MD . . 5.180 2.798 2.368 3.085 . 0 0 "[ . 1 . 2]" 1
712 1 40 MET H 1 40 MET QB . . 3.310 2.383 2.241 2.672 . 0 0 "[ . 1 . 2]" 1
713 1 40 MET H 1 40 MET HG2 . . 4.040 4.451 3.869 4.503 0.463 18 0 "[ . 1 . 2]" 1
714 1 40 MET H 1 40 MET HG3 . . 4.710 4.485 2.405 4.719 0.009 17 0 "[ . 1 . 2]" 1
715 1 40 MET H 1 41 SER H . . 2.980 2.174 2.040 2.706 . 0 0 "[ . 1 . 2]" 1
716 1 40 MET H 1 44 ASP HB2 . . 5.240 3.919 3.249 4.754 . 0 0 "[ . 1 . 2]" 1
717 1 40 MET HA 1 40 MET HG2 . . 3.910 2.544 2.368 3.301 . 0 0 "[ . 1 . 2]" 1
718 1 40 MET HA 1 40 MET HG3 . . 4.210 2.914 2.765 3.524 . 0 0 "[ . 1 . 2]" 1
719 1 40 MET QB 1 41 SER H . . 3.470 3.050 2.720 3.310 . 0 0 "[ . 1 . 2]" 1
720 1 40 MET QB 1 41 SER HA . . 5.230 4.587 4.303 4.789 . 0 0 "[ . 1 . 2]" 1
721 1 40 MET QB 1 41 SER HB2 . . 4.940 4.858 4.550 4.989 0.049 1 0 "[ . 1 . 2]" 1
722 1 40 MET HG2 1 41 SER H . . 5.160 4.598 4.434 5.186 0.026 16 0 "[ . 1 . 2]" 1
723 1 40 MET HG3 1 41 SER H . . 5.500 5.323 4.166 5.509 0.009 7 0 "[ . 1 . 2]" 1
724 1 41 SER H 1 41 SER HB2 . . 3.740 3.473 3.224 3.736 . 0 0 "[ . 1 . 2]" 1
725 1 41 SER H 1 41 SER HB3 . . 3.730 3.891 3.794 3.972 0.242 7 0 "[ . 1 . 2]" 1
726 1 41 SER H 1 44 ASP H . . 4.810 4.018 3.906 4.068 . 0 0 "[ . 1 . 2]" 1
727 1 41 SER H 1 44 ASP HB2 . . 4.920 3.171 2.536 3.621 . 0 0 "[ . 1 . 2]" 1
728 1 41 SER HA 1 41 SER HB3 . . 2.660 2.245 2.239 2.265 . 0 0 "[ . 1 . 2]" 1
729 1 41 SER HA 1 42 PRO HA . . 4.610 4.386 4.385 4.386 . 0 0 "[ . 1 . 2]" 1
730 1 41 SER HA 1 42 PRO HD2 . . 2.790 2.516 2.506 2.525 . 0 0 "[ . 1 . 2]" 1
731 1 41 SER HA 1 42 PRO HG3 . . 4.560 4.545 4.538 4.551 . 0 0 "[ . 1 . 2]" 1
732 1 41 SER HA 1 43 SER H . . 5.020 4.098 3.951 4.236 . 0 0 "[ . 1 . 2]" 1
733 1 41 SER HB3 1 42 PRO HG3 . . 4.880 4.899 4.678 5.138 0.258 1 0 "[ . 1 . 2]" 1
734 1 42 PRO HB2 1 43 SER HA . . 5.240 4.187 4.115 4.290 . 0 0 "[ . 1 . 2]" 1
735 1 42 PRO HG2 1 43 SER H . . 3.800 2.674 2.407 3.064 . 0 0 "[ . 1 . 2]" 1
736 1 42 PRO HG2 1 43 SER HA . . 5.500 4.367 4.311 4.468 . 0 0 "[ . 1 . 2]" 1
737 1 42 PRO HG3 1 43 SER H . . 5.060 4.108 3.909 4.402 . 0 0 "[ . 1 . 2]" 1
738 1 43 SER H 1 43 SER HB2 . . 3.660 3.456 2.134 3.649 . 0 0 "[ . 1 . 2]" 1
739 1 43 SER H 1 43 SER HB3 . . 3.240 2.933 2.214 3.385 0.145 12 0 "[ . 1 . 2]" 1
740 1 43 SER H 1 44 ASP H . . 3.260 2.483 2.359 2.542 . 0 0 "[ . 1 . 2]" 1
741 1 43 SER HA 1 43 SER HB2 . . 2.810 2.591 2.239 2.888 0.078 18 0 "[ . 1 . 2]" 1
742 1 43 SER HA 1 43 SER HB3 . . 2.830 2.411 2.238 2.846 0.016 10 0 "[ . 1 . 2]" 1
743 1 43 SER HA 1 45 LEU H . . 4.250 3.251 3.181 3.348 . 0 0 "[ . 1 . 2]" 1
744 1 43 SER HA 1 45 LEU HB3 . . 5.470 4.880 4.767 5.355 . 0 0 "[ . 1 . 2]" 1
745 1 43 SER HA 1 46 TYR H . . 4.590 3.991 3.849 4.155 . 0 0 "[ . 1 . 2]" 1
746 1 43 SER HA 1 46 TYR QD . . 3.860 3.746 3.231 3.893 0.033 10 0 "[ . 1 . 2]" 1
747 1 43 SER HA 1 46 TYR QE . . 4.140 3.271 2.721 3.594 . 0 0 "[ . 1 . 2]" 1
748 1 43 SER HB2 1 46 TYR QD . . 4.040 2.743 2.216 4.375 0.335 18 0 "[ . 1 . 2]" 1
749 1 43 SER HB2 1 46 TYR QE . . 4.110 2.908 1.989 4.175 0.065 18 0 "[ . 1 . 2]" 1
750 1 43 SER HB3 1 46 TYR QD . . 4.370 3.830 2.934 4.387 0.017 10 0 "[ . 1 . 2]" 1
751 1 43 SER HB3 1 46 TYR QE . . 4.310 3.038 2.418 3.718 . 0 0 "[ . 1 . 2]" 1
752 1 44 ASP H 1 44 ASP HB2 . . 3.190 2.287 2.148 2.436 . 0 0 "[ . 1 . 2]" 1
753 1 44 ASP H 1 44 ASP HB3 . . 3.560 3.315 2.636 3.584 0.024 7 0 "[ . 1 . 2]" 1
754 1 44 ASP H 1 45 LEU H . . 3.370 2.618 2.552 2.674 . 0 0 "[ . 1 . 2]" 1
755 1 44 ASP H 1 46 TYR H . . 4.830 4.350 4.293 4.465 . 0 0 "[ . 1 . 2]" 1
756 1 44 ASP HA 1 46 TYR H . . 4.610 3.452 3.324 3.611 . 0 0 "[ . 1 . 2]" 1
757 1 44 ASP HA 1 47 SER H . . 4.410 3.934 3.662 4.182 . 0 0 "[ . 1 . 2]" 1
758 1 44 ASP HA 1 47 SER QB . . 3.500 3.442 3.213 3.555 0.055 13 0 "[ . 1 . 2]" 1
759 1 44 ASP HB2 1 45 LEU H . . 4.150 3.515 3.166 4.096 . 0 0 "[ . 1 . 2]" 1
760 1 44 ASP HB3 1 45 LEU H . . 4.720 3.711 3.160 4.070 . 0 0 "[ . 1 . 2]" 1
761 1 44 ASP HB3 1 47 SER QB . . 4.850 4.009 3.575 4.848 . 0 0 "[ . 1 . 2]" 1
762 1 45 LEU H 1 45 LEU HB2 . . 3.270 2.062 2.041 2.281 . 0 0 "[ . 1 . 2]" 1
763 1 45 LEU H 1 45 LEU HB3 . . 3.490 3.234 3.111 3.542 0.052 10 0 "[ . 1 . 2]" 1
764 1 45 LEU H 1 45 LEU MD1 . . 5.240 4.268 3.640 4.317 . 0 0 "[ . 1 . 2]" 1
765 1 45 LEU H 1 45 LEU HG . . 3.920 4.224 3.877 4.369 0.449 8 0 "[ . 1 . 2]" 1
766 1 45 LEU H 1 46 TYR H . . 3.500 2.620 2.521 2.696 . 0 0 "[ . 1 . 2]" 1
767 1 45 LEU HA 1 45 LEU MD1 . . 4.330 2.410 1.959 2.580 . 0 0 "[ . 1 . 2]" 1
768 1 45 LEU HA 1 45 LEU MD2 . . 3.360 2.099 2.045 2.664 . 0 0 "[ . 1 . 2]" 1
769 1 45 LEU HA 1 47 SER H . . 4.340 3.351 3.311 3.449 . 0 0 "[ . 1 . 2]" 1
770 1 45 LEU HA 1 51 TRP HE1 . . 4.140 3.091 2.357 3.261 . 0 0 "[ . 1 . 2]" 1
771 1 45 LEU HA 1 54 ILE MD . . 4.610 4.369 4.125 4.608 . 0 0 "[ . 1 . 2]" 1
772 1 45 LEU HA 1 81 LEU QD . . 5.150 3.767 3.036 4.226 . 0 0 "[ . 1 . 2]" 1
773 1 45 LEU HB2 1 45 LEU MD2 . . 3.550 2.395 2.264 2.442 . 0 0 "[ . 1 . 2]" 1
774 1 45 LEU HB2 1 46 TYR H . . 4.160 3.550 3.005 3.735 . 0 0 "[ . 1 . 2]" 1
775 1 45 LEU HB2 1 46 TYR QD . . 4.910 4.765 4.098 4.926 0.016 18 0 "[ . 1 . 2]" 1
776 1 45 LEU HB2 1 81 LEU QD . . 5.120 4.020 3.252 4.248 . 0 0 "[ . 1 . 2]" 1
777 1 45 LEU HB3 1 45 LEU MD1 . . 3.370 2.296 2.173 2.341 . 0 0 "[ . 1 . 2]" 1
778 1 45 LEU HB3 1 46 TYR H . . 4.020 3.432 3.245 3.671 . 0 0 "[ . 1 . 2]" 1
779 1 45 LEU HB3 1 46 TYR QD . . 4.650 3.744 3.496 4.111 . 0 0 "[ . 1 . 2]" 1
780 1 45 LEU HB3 1 46 TYR QE . . 5.240 4.193 4.030 4.599 . 0 0 "[ . 1 . 2]" 1
781 1 45 LEU HB3 1 47 SER H . . 5.160 4.769 4.698 4.830 . 0 0 "[ . 1 . 2]" 1
782 1 45 LEU HB3 1 51 TRP HE1 . . 5.250 4.701 4.090 4.833 . 0 0 "[ . 1 . 2]" 1
783 1 45 LEU HB3 1 81 LEU QD . . 4.360 2.623 1.864 2.973 . 0 0 "[ . 1 . 2]" 1
784 1 45 LEU MD1 1 46 TYR H . . 4.910 4.528 4.366 4.744 . 0 0 "[ . 1 . 2]" 1
785 1 45 LEU MD1 1 46 TYR QE . . 5.210 5.203 4.789 5.973 0.763 10 1 "[ . + . 2]" 1
786 1 45 LEU MD1 1 74 TRP HZ3 . . 4.170 1.981 1.948 2.100 . 0 0 "[ . 1 . 2]" 1
787 1 45 LEU MD2 1 51 TRP HD1 . . 4.510 4.152 4.041 5.253 0.743 10 1 "[ . + . 2]" 1
788 1 45 LEU MD2 1 51 TRP HE1 . . 5.500 3.558 3.344 4.451 . 0 0 "[ . 1 . 2]" 1
789 1 45 LEU MD2 1 54 ILE MD . . 4.140 3.579 3.281 4.158 0.018 10 0 "[ . 1 . 2]" 1
790 1 45 LEU MD2 1 54 ILE MG . . 4.800 3.870 3.679 4.968 0.168 10 0 "[ . 1 . 2]" 1
791 1 45 LEU MD2 1 74 TRP HE3 . . 5.040 3.753 3.575 5.045 0.005 10 0 "[ . 1 . 2]" 1
792 1 45 LEU MD2 1 74 TRP HH2 . . 4.790 2.672 2.453 4.322 . 0 0 "[ . 1 . 2]" 1
793 1 45 LEU MD2 1 74 TRP HZ2 . . 5.500 4.782 4.577 6.406 0.906 10 1 "[ . + . 2]" 1
794 1 45 LEU MD2 1 74 TRP HZ3 . . 4.290 2.024 1.917 3.395 . 0 0 "[ . 1 . 2]" 1
795 1 45 LEU HG 1 74 TRP HZ3 . . 5.080 3.630 3.445 4.461 . 0 0 "[ . 1 . 2]" 1
796 1 45 LEU HG 1 81 LEU QD . . 4.710 3.582 3.093 3.735 . 0 0 "[ . 1 . 2]" 1
797 1 46 TYR H 1 46 TYR HB2 . . 3.220 2.541 2.458 2.644 . 0 0 "[ . 1 . 2]" 1
798 1 46 TYR H 1 46 TYR HB3 . . 3.620 3.624 3.605 3.652 0.032 19 0 "[ . 1 . 2]" 1
799 1 46 TYR H 1 47 SER H . . 3.070 2.592 2.563 2.699 . 0 0 "[ . 1 . 2]" 1
800 1 46 TYR H 1 47 SER QB . . 4.650 4.191 4.002 4.476 . 0 0 "[ . 1 . 2]" 1
801 1 46 TYR HA 1 46 TYR QD . . 3.110 2.113 1.990 2.333 . 0 0 "[ . 1 . 2]" 1
802 1 46 TYR HA 1 46 TYR QE . . 4.530 4.416 4.318 4.533 0.003 10 0 "[ . 1 . 2]" 1
803 1 46 TYR HA 1 81 LEU QD . . 4.420 2.909 2.588 3.147 . 0 0 "[ . 1 . 2]" 1
804 1 46 TYR HB2 1 47 SER H . . 4.070 3.661 3.452 3.851 . 0 0 "[ . 1 . 2]" 1
805 1 46 TYR HB3 1 47 SER H . . 4.510 4.374 4.279 4.465 . 0 0 "[ . 1 . 2]" 1
806 1 46 TYR HB3 1 47 SER HA . . 5.190 4.815 4.737 4.900 . 0 0 "[ . 1 . 2]" 1
807 1 46 TYR QD 1 81 LEU QD . . 3.860 2.804 2.309 3.045 . 0 0 "[ . 1 . 2]" 1
808 1 46 TYR QE 1 81 LEU QD . . 4.120 3.616 3.142 3.844 . 0 0 "[ . 1 . 2]" 1
809 1 47 SER H 1 47 SER QB . . 2.860 2.323 2.258 2.701 . 0 0 "[ . 1 . 2]" 1
810 1 47 SER H 1 48 PRO HD2 . . 5.500 4.504 4.476 4.537 . 0 0 "[ . 1 . 2]" 1
811 1 47 SER H 1 51 TRP HE1 . . 4.790 4.035 3.496 4.498 . 0 0 "[ . 1 . 2]" 1
812 1 47 SER HA 1 47 SER QB . . 2.690 2.472 2.188 2.531 . 0 0 "[ . 1 . 2]" 1
813 1 47 SER HA 1 48 PRO HD2 . . 3.120 1.921 1.915 1.926 . 0 0 "[ . 1 . 2]" 1
814 1 47 SER HA 1 48 PRO HD3 . . 2.960 2.583 2.554 2.607 . 0 0 "[ . 1 . 2]" 1
815 1 47 SER HA 1 48 PRO HG2 . . 4.280 4.115 4.113 4.118 . 0 0 "[ . 1 . 2]" 1
816 1 47 SER QB 1 48 PRO HD2 . . 3.840 3.806 3.549 3.880 0.040 13 0 "[ . 1 . 2]" 1
817 1 48 PRO HA 1 50 SER H . . 4.440 3.580 3.405 3.727 . 0 0 "[ . 1 . 2]" 1
818 1 48 PRO HA 1 51 TRP H . . 4.190 3.788 3.569 3.943 . 0 0 "[ . 1 . 2]" 1
819 1 48 PRO HA 1 51 TRP HB3 . . 4.990 5.010 4.698 5.191 0.201 18 0 "[ . 1 . 2]" 1
820 1 48 PRO HA 1 51 TRP HE1 . . 4.940 3.752 3.374 4.018 . 0 0 "[ . 1 . 2]" 1
821 1 48 PRO HA 1 51 TRP HE3 . . 4.320 3.523 3.261 3.847 . 0 0 "[ . 1 . 2]" 1
822 1 48 PRO HA 1 51 TRP HZ2 . . 4.670 3.556 3.405 3.802 . 0 0 "[ . 1 . 2]" 1
823 1 48 PRO HA 1 51 TRP HZ3 . . 4.870 3.923 3.399 4.600 . 0 0 "[ . 1 . 2]" 1
824 1 48 PRO QB 1 49 GLY H . . 3.870 3.644 3.640 3.653 . 0 0 "[ . 1 . 2]" 1
825 1 48 PRO QB 1 50 SER H . . 4.930 4.745 4.601 4.851 . 0 0 "[ . 1 . 2]" 1
826 1 48 PRO QB 1 51 TRP HE3 . . 4.300 3.752 3.414 3.946 . 0 0 "[ . 1 . 2]" 1
827 1 48 PRO QB 1 51 TRP HH2 . . 4.330 2.875 2.623 3.126 . 0 0 "[ . 1 . 2]" 1
828 1 48 PRO QB 1 51 TRP HZ2 . . 4.710 3.641 3.463 3.892 . 0 0 "[ . 1 . 2]" 1
829 1 48 PRO QB 1 51 TRP HZ3 . . 4.140 3.068 2.890 3.202 . 0 0 "[ . 1 . 2]" 1
830 1 48 PRO HD2 1 49 GLY H . . 4.170 2.909 2.903 2.921 . 0 0 "[ . 1 . 2]" 1
831 1 48 PRO HD3 1 51 TRP HE1 . . 5.500 5.504 5.322 5.622 0.122 10 0 "[ . 1 . 2]" 1
832 1 48 PRO HG3 1 51 TRP HH2 . . 4.740 4.769 4.589 4.825 0.085 8 0 "[ . 1 . 2]" 1
833 1 49 GLY H 1 51 TRP H . . 5.100 4.104 4.007 4.200 . 0 0 "[ . 1 . 2]" 1
834 1 50 SER H 1 50 SER HB2 . . 3.170 2.538 2.471 2.627 . 0 0 "[ . 1 . 2]" 1
835 1 50 SER H 1 50 SER HB3 . . 3.430 3.635 3.334 3.771 0.341 8 0 "[ . 1 . 2]" 1
836 1 50 SER H 1 51 TRP H . . 3.070 2.031 1.909 2.150 . 0 0 "[ . 1 . 2]" 1
837 1 50 SER H 1 51 TRP HB2 . . 5.100 4.190 4.177 4.212 . 0 0 "[ . 1 . 2]" 1
838 1 50 SER H 1 51 TRP HD1 . . 4.580 4.276 4.104 4.435 . 0 0 "[ . 1 . 2]" 1
839 1 50 SER H 1 51 TRP HE1 . . 5.430 5.222 5.099 5.290 . 0 0 "[ . 1 . 2]" 1
840 1 50 SER H 1 52 ASP H . . 5.200 4.150 4.007 4.287 . 0 0 "[ . 1 . 2]" 1
841 1 50 SER HA 1 50 SER HB2 . . 2.960 2.983 2.861 3.028 0.068 8 0 "[ . 1 . 2]" 1
842 1 50 SER HA 1 50 SER HB3 . . 2.930 2.606 2.474 2.843 . 0 0 "[ . 1 . 2]" 1
843 1 50 SER HA 1 53 PRO QD . . 3.860 2.495 2.430 2.572 . 0 0 "[ . 1 . 2]" 1
844 1 50 SER HA 1 53 PRO HG2 . . 4.240 3.075 2.697 3.278 . 0 0 "[ . 1 . 2]" 1
845 1 50 SER HA 1 53 PRO HG3 . . 5.050 3.113 2.911 3.174 . 0 0 "[ . 1 . 2]" 1
846 1 50 SER HA 1 54 ILE MD . . 4.940 4.080 3.899 4.356 . 0 0 "[ . 1 . 2]" 1
847 1 50 SER HB2 1 51 TRP HD1 . . 4.960 4.396 4.037 4.955 . 0 0 "[ . 1 . 2]" 1
848 1 50 SER HB2 1 52 ASP H . . 5.480 5.356 5.223 5.524 0.044 16 0 "[ . 1 . 2]" 1
849 1 50 SER HB2 1 53 PRO HG2 . . 5.080 4.735 4.493 4.947 . 0 0 "[ . 1 . 2]" 1
850 1 50 SER HB2 1 54 ILE MD . . 4.150 3.023 2.672 3.541 . 0 0 "[ . 1 . 2]" 1
851 1 50 SER HB3 1 51 TRP HD1 . . 4.780 4.762 4.233 4.995 0.215 8 0 "[ . 1 . 2]" 1
852 1 50 SER HB3 1 54 ILE MD . . 4.070 2.219 1.902 2.724 . 0 0 "[ . 1 . 2]" 1
853 1 51 TRP H 1 51 TRP HB2 . . 3.850 2.388 2.305 2.474 . 0 0 "[ . 1 . 2]" 1
854 1 51 TRP H 1 51 TRP HD1 . . 3.660 3.437 3.369 3.489 . 0 0 "[ . 1 . 2]" 1
855 1 51 TRP H 1 52 ASP H . . 3.660 2.531 2.448 2.602 . 0 0 "[ . 1 . 2]" 1
856 1 51 TRP H 1 54 ILE MD . . 5.500 4.070 3.897 4.414 . 0 0 "[ . 1 . 2]" 1
857 1 51 TRP HA 1 51 TRP HD1 . . 3.120 2.111 2.047 2.191 . 0 0 "[ . 1 . 2]" 1
858 1 51 TRP HA 1 51 TRP HE1 . . 4.610 4.625 4.547 4.698 0.088 19 0 "[ . 1 . 2]" 1
859 1 51 TRP HA 1 54 ILE HB . . 3.850 2.278 2.197 2.425 . 0 0 "[ . 1 . 2]" 1
860 1 51 TRP HA 1 54 ILE MD . . 3.940 2.667 2.417 2.833 . 0 0 "[ . 1 . 2]" 1
861 1 51 TRP HA 1 54 ILE HG13 . . 5.100 3.888 3.581 4.125 . 0 0 "[ . 1 . 2]" 1
862 1 51 TRP HA 1 54 ILE MG . . 4.840 3.628 3.526 3.848 . 0 0 "[ . 1 . 2]" 1
863 1 51 TRP HA 1 74 TRP HH2 . . 4.040 3.694 3.341 3.871 . 0 0 "[ . 1 . 2]" 1
864 1 51 TRP HA 1 74 TRP HZ2 . . 3.460 2.242 2.125 2.366 . 0 0 "[ . 1 . 2]" 1
865 1 51 TRP HA 1 78 LEU QD . . 4.600 3.608 3.372 3.996 . 0 0 "[ . 1 . 2]" 1
866 1 51 TRP HB2 1 51 TRP HE3 . . 3.760 2.657 2.563 2.796 . 0 0 "[ . 1 . 2]" 1
867 1 51 TRP HB2 1 52 ASP H . . 3.530 3.141 3.012 3.276 . 0 0 "[ . 1 . 2]" 1
868 1 51 TRP HB2 1 52 ASP HA . . 5.420 4.459 4.363 4.585 . 0 0 "[ . 1 . 2]" 1
869 1 51 TRP HB2 1 74 TRP HZ2 . . 4.490 4.140 3.984 4.266 . 0 0 "[ . 1 . 2]" 1
870 1 51 TRP HB3 1 74 TRP HZ2 . . 4.040 2.779 2.472 3.049 . 0 0 "[ . 1 . 2]" 1
871 1 51 TRP HB3 1 78 LEU QD . . 3.860 2.195 1.942 2.557 . 0 0 "[ . 1 . 2]" 1
872 1 51 TRP HD1 1 54 ILE HB . . 4.810 3.532 3.438 3.723 . 0 0 "[ . 1 . 2]" 1
873 1 51 TRP HD1 1 54 ILE MD . . 4.120 2.569 2.280 2.890 . 0 0 "[ . 1 . 2]" 1
874 1 51 TRP HD1 1 54 ILE MG . . 5.500 3.884 3.760 4.173 . 0 0 "[ . 1 . 2]" 1
875 1 51 TRP HD1 1 74 TRP HH2 . . 4.000 2.155 2.022 2.309 . 0 0 "[ . 1 . 2]" 1
876 1 51 TRP HD1 1 74 TRP HZ2 . . 4.280 2.385 2.197 2.765 . 0 0 "[ . 1 . 2]" 1
877 1 51 TRP HD1 1 74 TRP HZ3 . . 4.940 4.584 4.425 4.740 . 0 0 "[ . 1 . 2]" 1
878 1 51 TRP HD1 1 78 LEU QD . . 5.060 3.325 3.013 3.763 . 0 0 "[ . 1 . 2]" 1
879 1 51 TRP HD1 1 81 LEU QD . . 5.500 5.047 4.759 5.324 . 0 0 "[ . 1 . 2]" 1
880 1 51 TRP HE1 1 74 TRP HH2 . . 4.520 2.663 2.373 3.065 . 0 0 "[ . 1 . 2]" 1
881 1 51 TRP HE1 1 78 LEU QD . . 5.470 3.446 3.159 3.675 . 0 0 "[ . 1 . 2]" 1
882 1 51 TRP HE1 1 81 LEU QD . . 4.170 3.138 2.913 3.710 . 0 0 "[ . 1 . 2]" 1
883 1 51 TRP HE3 1 78 LEU QD . . 3.900 2.838 2.525 3.103 . 0 0 "[ . 1 . 2]" 1
884 1 51 TRP HE3 1 82 LYS QD . . 4.770 3.939 2.455 4.646 . 0 0 "[ . 1 . 2]" 1
885 1 51 TRP HE3 1 82 LYS QE . . 4.320 2.665 1.905 3.633 . 0 0 "[ . 1 . 2]" 1
886 1 51 TRP HE3 1 82 LYS QG . . 4.830 3.331 2.938 3.809 . 0 0 "[ . 1 . 2]" 1
887 1 51 TRP HH2 1 78 LEU QD . . 5.500 4.047 3.584 4.493 . 0 0 "[ . 1 . 2]" 1
888 1 51 TRP HH2 1 81 LEU HB3 . . 4.650 2.325 2.004 2.590 . 0 0 "[ . 1 . 2]" 1
889 1 51 TRP HH2 1 81 LEU QD . . 5.500 3.136 2.902 3.361 . 0 0 "[ . 1 . 2]" 1
890 1 51 TRP HH2 1 82 LYS HA . . 4.020 2.931 2.717 3.209 . 0 0 "[ . 1 . 2]" 1
891 1 51 TRP HH2 1 82 LYS QD . . 5.400 4.928 3.600 5.426 0.026 12 0 "[ . 1 . 2]" 1
892 1 51 TRP HH2 1 82 LYS QG . . 4.630 3.505 3.176 4.057 . 0 0 "[ . 1 . 2]" 1
893 1 51 TRP HH2 1 85 ARG HB2 . . 5.060 4.499 3.433 5.089 0.029 4 0 "[ . 1 . 2]" 1
894 1 51 TRP HH2 1 85 ARG QD . . 4.850 2.476 1.966 3.261 . 0 0 "[ . 1 . 2]" 1
895 1 51 TRP HZ2 1 78 LEU QD . . 5.500 3.719 3.335 4.157 . 0 0 "[ . 1 . 2]" 1
896 1 51 TRP HZ2 1 81 LEU HA . . 5.000 4.941 4.497 5.041 0.041 4 0 "[ . 1 . 2]" 1
897 1 51 TRP HZ2 1 81 LEU HB2 . . 4.650 3.464 3.179 3.710 . 0 0 "[ . 1 . 2]" 1
898 1 51 TRP HZ2 1 81 LEU HB3 . . 3.970 2.406 2.232 2.509 . 0 0 "[ . 1 . 2]" 1
899 1 51 TRP HZ2 1 81 LEU QD . . 4.290 1.982 1.876 2.450 . 0 0 "[ . 1 . 2]" 1
900 1 51 TRP HZ2 1 82 LYS H . . 5.170 4.951 4.797 5.189 0.019 10 0 "[ . 1 . 2]" 1
901 1 51 TRP HZ2 1 82 LYS HA . . 5.190 5.182 5.106 5.245 0.055 13 0 "[ . 1 . 2]" 1
902 1 51 TRP HZ2 1 85 ARG QD . . 4.790 3.579 3.047 4.543 . 0 0 "[ . 1 . 2]" 1
903 1 51 TRP HZ3 1 78 LEU QD . . 5.060 3.707 3.206 4.031 . 0 0 "[ . 1 . 2]" 1
904 1 51 TRP HZ3 1 82 LYS HA . . 4.170 2.803 2.243 3.401 . 0 0 "[ . 1 . 2]" 1
905 1 51 TRP HZ3 1 82 LYS HB3 . . 4.960 4.636 4.152 5.017 0.057 19 0 "[ . 1 . 2]" 1
906 1 51 TRP HZ3 1 82 LYS QD . . 4.450 3.708 2.489 4.347 . 0 0 "[ . 1 . 2]" 1
907 1 51 TRP HZ3 1 82 LYS QE . . 4.300 3.217 2.267 4.077 . 0 0 "[ . 1 . 2]" 1
908 1 51 TRP HZ3 1 82 LYS QG . . 3.970 2.089 1.903 2.442 . 0 0 "[ . 1 . 2]" 1
909 1 51 TRP HZ3 1 85 ARG QD . . 4.830 3.873 3.098 4.410 . 0 0 "[ . 1 . 2]" 1
910 1 52 ASP H 1 52 ASP HB2 . . 3.610 2.583 2.115 3.164 . 0 0 "[ . 1 . 2]" 1
911 1 52 ASP H 1 52 ASP HB3 . . 3.270 2.982 2.150 3.469 0.199 10 0 "[ . 1 . 2]" 1
912 1 52 ASP H 1 53 PRO HD3 . . 3.190 3.064 2.932 3.109 . 0 0 "[ . 1 . 2]" 1
913 1 52 ASP H 1 53 PRO HG2 . . 5.400 4.208 4.098 4.273 . 0 0 "[ . 1 . 2]" 1
914 1 52 ASP H 1 54 ILE H . . 4.750 3.675 3.604 3.736 . 0 0 "[ . 1 . 2]" 1
915 1 52 ASP H 1 55 THR HB . . 5.080 5.123 5.096 5.182 0.102 5 0 "[ . 1 . 2]" 1
916 1 52 ASP HA 1 55 THR H . . 3.890 3.562 3.478 3.691 . 0 0 "[ . 1 . 2]" 1
917 1 52 ASP HA 1 55 THR HB . . 3.270 3.076 2.996 3.155 . 0 0 "[ . 1 . 2]" 1
918 1 52 ASP HA 1 55 THR MG . . 4.360 4.397 4.372 4.417 0.057 20 0 "[ . 1 . 2]" 1
919 1 52 ASP HA 1 56 ALA H . . 4.310 4.228 3.873 4.310 . 0 0 "[ . 1 . 2]" 1
920 1 52 ASP HB2 1 53 PRO QD . . 3.510 2.425 1.865 3.319 . 0 0 "[ . 1 . 2]" 1
921 1 52 ASP HB2 1 55 THR HB . . 5.500 5.669 5.292 5.909 0.409 4 0 "[ . 1 . 2]" 1
922 1 52 ASP HB3 1 53 PRO QD . . 3.240 2.307 1.905 3.378 0.138 10 0 "[ . 1 . 2]" 1
923 1 53 PRO HA 1 56 ALA MB . . 3.250 3.191 2.889 3.252 0.002 10 0 "[ . 1 . 2]" 1
924 1 53 PRO HA 1 57 ALA H . . 4.520 3.821 3.580 4.100 . 0 0 "[ . 1 . 2]" 1
925 1 53 PRO HB2 1 57 ALA MB . . 5.490 4.422 3.960 4.981 . 0 0 "[ . 1 . 2]" 1
926 1 53 PRO HB3 1 54 ILE HG13 . . 5.100 5.006 4.946 5.081 . 0 0 "[ . 1 . 2]" 1
927 1 53 PRO HD3 1 54 ILE H . . 4.100 3.945 3.865 3.956 . 0 0 "[ . 1 . 2]" 1
928 1 54 ILE H 1 54 ILE HB . . 3.210 2.502 2.455 2.570 . 0 0 "[ . 1 . 2]" 1
929 1 54 ILE H 1 54 ILE HG12 . . 4.210 3.943 3.797 4.030 . 0 0 "[ . 1 . 2]" 1
930 1 54 ILE H 1 54 ILE HG13 . . 3.520 2.670 2.434 2.798 . 0 0 "[ . 1 . 2]" 1
931 1 54 ILE H 1 54 ILE MG . . 4.390 3.787 3.755 3.820 . 0 0 "[ . 1 . 2]" 1
932 1 54 ILE H 1 55 THR H . . 3.200 2.090 2.046 2.324 . 0 0 "[ . 1 . 2]" 1
933 1 54 ILE H 1 56 ALA H . . 4.500 3.653 3.565 3.826 . 0 0 "[ . 1 . 2]" 1
934 1 54 ILE HA 1 54 ILE HG12 . . 3.650 2.595 2.525 2.645 . 0 0 "[ . 1 . 2]" 1
935 1 54 ILE HA 1 54 ILE HG13 . . 3.180 2.854 2.803 2.993 . 0 0 "[ . 1 . 2]" 1
936 1 54 ILE HA 1 54 ILE MG . . 3.440 2.382 2.342 2.450 . 0 0 "[ . 1 . 2]" 1
937 1 54 ILE HA 1 56 ALA H . . 5.490 4.341 4.219 4.593 . 0 0 "[ . 1 . 2]" 1
938 1 54 ILE HA 1 57 ALA H . . 3.950 3.871 3.754 3.985 0.035 5 0 "[ . 1 . 2]" 1
939 1 54 ILE HA 1 57 ALA MB . . 3.590 3.097 2.749 3.380 . 0 0 "[ . 1 . 2]" 1
940 1 54 ILE HA 1 58 LEU H . . 4.900 4.163 3.790 4.557 . 0 0 "[ . 1 . 2]" 1
941 1 54 ILE HA 1 58 LEU MD1 . . 4.660 4.306 3.937 4.512 . 0 0 "[ . 1 . 2]" 1
942 1 54 ILE HB 1 54 ILE MD . . 3.340 2.252 2.220 2.308 . 0 0 "[ . 1 . 2]" 1
943 1 54 ILE HB 1 55 THR H . . 3.260 3.063 3.014 3.104 . 0 0 "[ . 1 . 2]" 1
944 1 54 ILE HB 1 74 TRP HH2 . . 4.840 4.132 3.686 4.497 . 0 0 "[ . 1 . 2]" 1
945 1 54 ILE HB 1 74 TRP HZ2 . . 3.900 2.801 2.552 2.992 . 0 0 "[ . 1 . 2]" 1
946 1 54 ILE MD 1 54 ILE MG . . 3.140 2.143 2.057 2.233 . 0 0 "[ . 1 . 2]" 1
947 1 54 ILE MD 1 74 TRP HH2 . . 4.270 3.164 2.574 3.654 . 0 0 "[ . 1 . 2]" 1
948 1 54 ILE MD 1 74 TRP HZ2 . . 4.520 3.359 3.029 3.584 . 0 0 "[ . 1 . 2]" 1
949 1 54 ILE MD 1 74 TRP HZ3 . . 4.970 4.475 3.756 4.935 . 0 0 "[ . 1 . 2]" 1
950 1 54 ILE HG12 1 55 THR H . . 5.440 5.197 5.125 5.230 . 0 0 "[ . 1 . 2]" 1
951 1 54 ILE HG13 1 55 THR H . . 4.320 4.411 4.318 4.494 0.174 19 0 "[ . 1 . 2]" 1
952 1 54 ILE MG 1 55 THR H . . 4.090 3.702 3.581 3.802 . 0 0 "[ . 1 . 2]" 1
953 1 54 ILE MG 1 55 THR HA . . 4.330 3.569 3.415 3.666 . 0 0 "[ . 1 . 2]" 1
954 1 54 ILE MG 1 55 THR MG . . 5.500 5.012 4.925 5.069 . 0 0 "[ . 1 . 2]" 1
955 1 54 ILE MG 1 57 ALA H . . 5.500 5.219 5.083 5.337 . 0 0 "[ . 1 . 2]" 1
956 1 54 ILE MG 1 57 ALA MB . . 4.770 4.235 4.072 4.433 . 0 0 "[ . 1 . 2]" 1
957 1 54 ILE MG 1 58 LEU H . . 5.050 4.506 4.305 4.829 . 0 0 "[ . 1 . 2]" 1
958 1 54 ILE MG 1 58 LEU HB2 . . 4.990 4.354 3.969 4.580 . 0 0 "[ . 1 . 2]" 1
959 1 54 ILE MG 1 58 LEU MD1 . . 3.540 2.440 2.031 2.668 . 0 0 "[ . 1 . 2]" 1
960 1 54 ILE MG 1 58 LEU MD2 . . 4.400 3.833 3.596 4.126 . 0 0 "[ . 1 . 2]" 1
961 1 54 ILE MG 1 58 LEU HG . . 3.930 3.099 2.747 3.467 . 0 0 "[ . 1 . 2]" 1
962 1 54 ILE MG 1 71 LEU QD . . 5.500 5.166 4.753 5.373 . 0 0 "[ . 1 . 2]" 1
963 1 54 ILE MG 1 74 TRP HB3 . . 5.390 4.986 4.656 5.278 . 0 0 "[ . 1 . 2]" 1
964 1 54 ILE MG 1 74 TRP HD1 . . 4.960 4.090 3.757 4.411 . 0 0 "[ . 1 . 2]" 1
965 1 54 ILE MG 1 74 TRP HE1 . . 4.570 3.140 2.795 3.463 . 0 0 "[ . 1 . 2]" 1
966 1 54 ILE MG 1 74 TRP HE3 . . 5.020 4.007 3.603 4.216 . 0 0 "[ . 1 . 2]" 1
967 1 54 ILE MG 1 74 TRP HH2 . . 4.290 3.350 3.127 3.596 . 0 0 "[ . 1 . 2]" 1
968 1 54 ILE MG 1 74 TRP HZ2 . . 4.440 2.928 2.768 3.092 . 0 0 "[ . 1 . 2]" 1
969 1 54 ILE MG 1 74 TRP HZ3 . . 5.190 3.842 3.447 4.175 . 0 0 "[ . 1 . 2]" 1
970 1 55 THR H 1 55 THR HB . . 2.980 2.415 2.376 2.453 . 0 0 "[ . 1 . 2]" 1
971 1 55 THR H 1 55 THR MG . . 4.140 3.753 3.729 3.771 . 0 0 "[ . 1 . 2]" 1
972 1 55 THR H 1 56 ALA H . . 3.210 2.272 2.221 2.321 . 0 0 "[ . 1 . 2]" 1
973 1 55 THR H 1 56 ALA HA . . 5.080 4.958 4.912 5.013 . 0 0 "[ . 1 . 2]" 1
974 1 55 THR H 1 56 ALA MB . . 4.630 3.917 3.848 4.035 . 0 0 "[ . 1 . 2]" 1
975 1 55 THR H 1 57 ALA H . . 4.850 3.989 3.783 4.223 . 0 0 "[ . 1 . 2]" 1
976 1 55 THR H 1 58 LEU H . . 4.910 4.809 4.562 4.904 . 0 0 "[ . 1 . 2]" 1
977 1 55 THR H 1 74 TRP HE1 . . 3.900 3.604 3.265 3.895 . 0 0 "[ . 1 . 2]" 1
978 1 55 THR HA 1 55 THR MG . . 3.090 2.405 2.385 2.446 . 0 0 "[ . 1 . 2]" 1
979 1 55 THR HA 1 56 ALA HA . . 5.200 4.701 4.622 4.761 . 0 0 "[ . 1 . 2]" 1
980 1 55 THR HA 1 56 ALA MB . . 4.950 4.979 4.955 5.004 0.054 12 0 "[ . 1 . 2]" 1
981 1 55 THR HA 1 58 LEU H . . 4.590 3.921 3.693 4.097 . 0 0 "[ . 1 . 2]" 1
982 1 55 THR HA 1 58 LEU HB2 . . 4.540 3.091 2.756 3.385 . 0 0 "[ . 1 . 2]" 1
983 1 55 THR HA 1 58 LEU HB3 . . 4.970 4.646 4.259 4.964 . 0 0 "[ . 1 . 2]" 1
984 1 55 THR HA 1 58 LEU MD1 . . 4.710 3.134 2.747 3.369 . 0 0 "[ . 1 . 2]" 1
985 1 55 THR HA 1 59 SER H . . 4.840 4.257 3.852 4.635 . 0 0 "[ . 1 . 2]" 1
986 1 55 THR HA 1 71 LEU QD . . 4.070 3.998 3.847 4.047 . 0 0 "[ . 1 . 2]" 1
987 1 55 THR HA 1 74 TRP HD1 . . 3.460 2.718 2.301 2.963 . 0 0 "[ . 1 . 2]" 1
988 1 55 THR HA 1 74 TRP HE1 . . 3.320 2.341 2.019 2.762 . 0 0 "[ . 1 . 2]" 1
989 1 55 THR HB 1 56 ALA H . . 3.050 2.914 2.727 3.032 . 0 0 "[ . 1 . 2]" 1
990 1 55 THR HB 1 56 ALA HA . . 4.650 4.485 4.390 4.549 . 0 0 "[ . 1 . 2]" 1
991 1 55 THR HB 1 56 ALA MB . . 4.610 4.027 3.941 4.140 . 0 0 "[ . 1 . 2]" 1
992 1 55 THR HB 1 74 TRP HE1 . . 4.350 3.570 3.446 3.683 . 0 0 "[ . 1 . 2]" 1
993 1 55 THR MG 1 56 ALA H . . 4.000 3.564 3.453 3.670 . 0 0 "[ . 1 . 2]" 1
994 1 55 THR MG 1 56 ALA HA . . 3.850 3.542 3.458 3.613 . 0 0 "[ . 1 . 2]" 1
995 1 55 THR MG 1 56 ALA MB . . 4.890 3.972 3.820 4.108 . 0 0 "[ . 1 . 2]" 1
996 1 55 THR MG 1 57 ALA H . . 5.460 5.237 5.010 5.324 . 0 0 "[ . 1 . 2]" 1
997 1 55 THR MG 1 58 LEU MD1 . . 5.500 4.424 4.121 4.658 . 0 0 "[ . 1 . 2]" 1
998 1 55 THR MG 1 59 SER HB3 . . 4.950 4.089 3.394 4.890 . 0 0 "[ . 1 . 2]" 1
999 1 55 THR MG 1 71 LEU QD . . 4.240 3.626 3.420 3.988 . 0 0 "[ . 1 . 2]" 1
1000 1 55 THR MG 1 74 TRP HD1 . . 4.040 3.314 3.223 3.475 . 0 0 "[ . 1 . 2]" 1
1001 1 55 THR MG 1 74 TRP HE1 . . 4.140 3.186 2.998 3.491 . 0 0 "[ . 1 . 2]" 1
1002 1 56 ALA H 1 56 ALA MB . . 2.940 2.103 2.038 2.303 . 0 0 "[ . 1 . 2]" 1
1003 1 56 ALA H 1 57 ALA H . . 3.310 2.484 2.225 2.646 . 0 0 "[ . 1 . 2]" 1
1004 1 56 ALA H 1 74 TRP HE1 . . 5.060 5.172 4.865 5.438 0.378 6 0 "[ . 1 . 2]" 1
1005 1 56 ALA MB 1 59 SER H . . 4.970 4.820 4.546 5.113 0.143 10 0 "[ . 1 . 2]" 1
1006 1 56 ALA MB 1 60 GLN HE22 . . 5.500 4.764 1.900 5.742 0.242 20 0 "[ . 1 . 2]" 1
1007 1 57 ALA H 1 57 ALA MB . . 2.810 2.138 2.026 2.234 . 0 0 "[ . 1 . 2]" 1
1008 1 57 ALA H 1 58 LEU H . . 3.330 2.761 2.554 2.922 . 0 0 "[ . 1 . 2]" 1
1009 1 57 ALA H 1 58 LEU HG . . 4.940 4.910 4.645 4.981 0.041 16 0 "[ . 1 . 2]" 1
1010 1 57 ALA HA 1 60 GLN QB . . 3.620 2.493 2.361 2.759 . 0 0 "[ . 1 . 2]" 1
1011 1 57 ALA HA 1 60 GLN HE22 . . 4.990 4.097 3.025 4.811 . 0 0 "[ . 1 . 2]" 1
1012 1 57 ALA HA 1 60 GLN QG . . 4.780 4.383 4.339 4.414 . 0 0 "[ . 1 . 2]" 1
1013 1 57 ALA MB 1 58 LEU H . . 3.610 2.611 2.239 3.083 . 0 0 "[ . 1 . 2]" 1
1014 1 57 ALA MB 1 58 LEU MD2 . . 4.300 3.897 3.379 4.292 . 0 0 "[ . 1 . 2]" 1
1015 1 57 ALA MB 1 60 GLN QB . . 4.460 3.830 3.660 4.113 . 0 0 "[ . 1 . 2]" 1
1016 1 58 LEU H 1 58 LEU HB2 . . 3.360 2.309 2.176 2.531 . 0 0 "[ . 1 . 2]" 1
1017 1 58 LEU H 1 58 LEU HB3 . . 3.780 3.542 3.485 3.588 . 0 0 "[ . 1 . 2]" 1
1018 1 58 LEU H 1 58 LEU MD2 . . 4.190 3.627 3.152 3.964 . 0 0 "[ . 1 . 2]" 1
1019 1 58 LEU H 1 58 LEU HG . . 3.250 2.678 2.183 3.251 0.001 16 0 "[ . 1 . 2]" 1
1020 1 58 LEU H 1 59 SER H . . 3.330 2.767 2.469 2.909 . 0 0 "[ . 1 . 2]" 1
1021 1 58 LEU H 1 60 GLN H . . 5.080 3.783 3.410 3.986 . 0 0 "[ . 1 . 2]" 1
1022 1 58 LEU H 1 61 ARG H . . 5.350 4.824 4.753 4.973 . 0 0 "[ . 1 . 2]" 1
1023 1 58 LEU HA 1 58 LEU MD1 . . 4.180 3.825 3.787 3.879 . 0 0 "[ . 1 . 2]" 1
1024 1 58 LEU HA 1 58 LEU MD2 . . 3.080 2.028 1.938 2.324 . 0 0 "[ . 1 . 2]" 1
1025 1 58 LEU HA 1 58 LEU HG . . 4.020 2.948 2.835 3.131 . 0 0 "[ . 1 . 2]" 1
1026 1 58 LEU HA 1 61 ARG QB . . 3.610 3.244 2.786 3.726 0.116 16 0 "[ . 1 . 2]" 1
1027 1 58 LEU HA 1 61 ARG QD . . 3.960 3.400 2.371 4.002 0.042 5 0 "[ . 1 . 2]" 1
1028 1 58 LEU HA 1 71 LEU QD . . 4.380 3.806 3.140 4.431 0.051 13 0 "[ . 1 . 2]" 1
1029 1 58 LEU HB2 1 59 SER H . . 3.750 2.461 2.301 2.675 . 0 0 "[ . 1 . 2]" 1
1030 1 58 LEU HB2 1 60 GLN H . . 4.720 4.658 4.452 4.765 0.045 6 0 "[ . 1 . 2]" 1
1031 1 58 LEU HB2 1 74 TRP HD1 . . 5.080 3.712 3.307 4.084 . 0 0 "[ . 1 . 2]" 1
1032 1 58 LEU HB3 1 58 LEU MD2 . . 3.650 2.324 2.150 2.379 . 0 0 "[ . 1 . 2]" 1
1033 1 58 LEU HB3 1 59 SER H . . 4.080 3.143 2.670 3.571 . 0 0 "[ . 1 . 2]" 1
1034 1 58 LEU HB3 1 71 LEU H . . 4.740 4.375 3.798 4.786 0.046 19 0 "[ . 1 . 2]" 1
1035 1 58 LEU HB3 1 71 LEU HA . . 4.210 3.014 2.442 3.658 . 0 0 "[ . 1 . 2]" 1
1036 1 58 LEU MD1 1 70 GLU HB2 . . 5.090 4.305 3.723 4.727 . 0 0 "[ . 1 . 2]" 1
1037 1 58 LEU MD1 1 70 GLU HB3 . . 4.920 3.363 2.554 3.904 . 0 0 "[ . 1 . 2]" 1
1038 1 58 LEU MD1 1 71 LEU H . . 5.500 4.386 3.965 4.651 . 0 0 "[ . 1 . 2]" 1
1039 1 58 LEU MD1 1 71 LEU HA . . 3.760 2.637 2.297 2.930 . 0 0 "[ . 1 . 2]" 1
1040 1 58 LEU MD1 1 71 LEU QB . . 5.000 4.376 4.013 4.577 . 0 0 "[ . 1 . 2]" 1
1041 1 58 LEU MD1 1 71 LEU QD . . 4.400 2.603 2.297 3.103 . 0 0 "[ . 1 . 2]" 1
1042 1 58 LEU MD1 1 74 TRP H . . 4.430 3.801 3.561 4.115 . 0 0 "[ . 1 . 2]" 1
1043 1 58 LEU MD1 1 74 TRP HA . . 4.770 3.999 3.865 4.191 . 0 0 "[ . 1 . 2]" 1
1044 1 58 LEU MD1 1 74 TRP HB2 . . 3.590 2.077 1.906 2.304 . 0 0 "[ . 1 . 2]" 1
1045 1 58 LEU MD1 1 74 TRP HB3 . . 3.740 2.454 2.208 2.722 . 0 0 "[ . 1 . 2]" 1
1046 1 58 LEU MD1 1 74 TRP HD1 . . 4.100 2.559 2.241 2.878 . 0 0 "[ . 1 . 2]" 1
1047 1 58 LEU MD1 1 75 GLY H . . 5.500 4.474 4.208 4.750 . 0 0 "[ . 1 . 2]" 1
1048 1 58 LEU MD2 1 59 SER H . . 5.440 4.549 4.357 4.758 . 0 0 "[ . 1 . 2]" 1
1049 1 58 LEU MD2 1 61 ARG H . . 5.500 4.886 4.729 5.233 . 0 0 "[ . 1 . 2]" 1
1050 1 58 LEU MD2 1 61 ARG QD . . 4.160 3.018 2.396 3.566 . 0 0 "[ . 1 . 2]" 1
1051 1 58 LEU MD2 1 61 ARG QG . . 5.110 4.265 3.342 5.063 . 0 0 "[ . 1 . 2]" 1
1052 1 58 LEU MD2 1 70 GLU HA . . 5.280 4.675 4.135 5.205 . 0 0 "[ . 1 . 2]" 1
1053 1 58 LEU MD2 1 70 GLU HB2 . . 4.180 2.851 2.393 3.199 . 0 0 "[ . 1 . 2]" 1
1054 1 58 LEU MD2 1 70 GLU HB3 . . 4.280 2.586 1.970 3.303 . 0 0 "[ . 1 . 2]" 1
1055 1 58 LEU MD2 1 70 GLU HG2 . . 5.160 3.821 2.967 5.051 . 0 0 "[ . 1 . 2]" 1
1056 1 58 LEU MD2 1 70 GLU HG3 . . 5.390 4.464 3.791 5.157 . 0 0 "[ . 1 . 2]" 1
1057 1 58 LEU MD2 1 71 LEU HA . . 4.910 3.545 3.020 4.080 . 0 0 "[ . 1 . 2]" 1
1058 1 58 LEU MD2 1 71 LEU QD . . 4.990 3.306 2.371 4.018 . 0 0 "[ . 1 . 2]" 1
1059 1 58 LEU MD2 1 74 TRP HB2 . . 4.950 3.864 3.563 4.104 . 0 0 "[ . 1 . 2]" 1
1060 1 58 LEU MD2 1 74 TRP HD1 . . 5.410 5.072 4.857 5.420 0.010 5 0 "[ . 1 . 2]" 1
1061 1 58 LEU HG 1 59 SER H . . 4.670 4.514 4.314 4.661 . 0 0 "[ . 1 . 2]" 1
1062 1 59 SER H 1 59 SER HB2 . . 3.030 2.813 2.199 3.046 0.016 20 0 "[ . 1 . 2]" 1
1063 1 59 SER H 1 59 SER HB3 . . 3.500 2.352 2.139 3.504 0.004 3 0 "[ . 1 . 2]" 1
1064 1 59 SER H 1 60 GLN H . . 3.260 2.633 2.454 2.767 . 0 0 "[ . 1 . 2]" 1
1065 1 59 SER H 1 60 GLN QB . . 4.510 4.380 4.177 4.499 . 0 0 "[ . 1 . 2]" 1
1066 1 59 SER H 1 71 LEU QD . . 4.350 2.996 2.160 3.430 . 0 0 "[ . 1 . 2]" 1
1067 1 59 SER HA 1 60 GLN HA . . 4.750 4.745 4.678 4.829 0.079 16 0 "[ . 1 . 2]" 1
1068 1 59 SER HA 1 61 ARG H . . 5.330 4.206 3.732 4.606 . 0 0 "[ . 1 . 2]" 1
1069 1 59 SER HA 1 62 ALA H . . 4.080 3.392 3.097 3.864 . 0 0 "[ . 1 . 2]" 1
1070 1 59 SER HA 1 62 ALA MB . . 3.430 2.670 2.503 3.459 0.029 2 0 "[ . 1 . 2]" 1
1071 1 59 SER HA 1 63 MET H . . 5.500 4.325 3.766 4.662 . 0 0 "[ . 1 . 2]" 1
1072 1 59 SER HA 1 71 LEU QD . . 3.280 1.939 1.881 2.173 . 0 0 "[ . 1 . 2]" 1
1073 1 59 SER HB2 1 71 LEU QD . . 4.200 2.645 2.247 3.550 . 0 0 "[ . 1 . 2]" 1
1074 1 59 SER HB3 1 60 GLN H . . 4.330 3.150 2.873 3.740 . 0 0 "[ . 1 . 2]" 1
1075 1 59 SER HB3 1 71 LEU QD . . 4.250 3.547 2.738 3.865 . 0 0 "[ . 1 . 2]" 1
1076 1 60 GLN H 1 60 GLN QB . . 2.880 2.227 2.040 2.269 . 0 0 "[ . 1 . 2]" 1
1077 1 60 GLN H 1 60 GLN QG . . 3.890 3.901 3.415 3.984 0.094 20 0 "[ . 1 . 2]" 1
1078 1 60 GLN H 1 61 ARG HB3 . . 4.440 4.584 4.412 4.768 0.328 16 0 "[ . 1 . 2]" 1
1079 1 60 GLN H 1 63 MET ME . . 4.810 3.688 3.108 4.183 . 0 0 "[ . 1 . 2]" 1
1080 1 60 GLN HA 1 60 GLN QB . . 2.710 2.359 2.310 2.539 . 0 0 "[ . 1 . 2]" 1
1081 1 60 GLN HA 1 60 GLN HE21 . . 5.250 4.422 3.890 4.925 . 0 0 "[ . 1 . 2]" 1
1082 1 60 GLN HA 1 60 GLN QG . . 3.920 2.461 2.002 2.562 . 0 0 "[ . 1 . 2]" 1
1083 1 60 GLN HA 1 61 ARG QB . . 5.490 5.233 5.133 5.339 . 0 0 "[ . 1 . 2]" 1
1084 1 60 GLN HA 1 63 MET ME . . 4.920 2.085 1.902 2.350 . 0 0 "[ . 1 . 2]" 1
1085 1 60 GLN HA 1 63 MET HG2 . . 4.620 2.258 1.969 4.583 . 0 0 "[ . 1 . 2]" 1
1086 1 60 GLN HA 1 63 MET HG3 . . 4.500 3.664 3.392 4.784 0.284 2 0 "[ . 1 . 2]" 1
1087 1 60 GLN HA 1 64 ILE MD . . 5.120 3.742 3.123 4.315 . 0 0 "[ . 1 . 2]" 1
1088 1 60 GLN HA 1 64 ILE HG12 . . 5.270 5.103 4.543 5.674 0.404 19 0 "[ . 1 . 2]" 1
1089 1 60 GLN QB 1 61 ARG H . . 3.330 2.748 2.470 2.994 . 0 0 "[ . 1 . 2]" 1
1090 1 60 GLN QB 1 64 ILE MD . . 4.270 3.606 2.256 4.084 . 0 0 "[ . 1 . 2]" 1
1091 1 60 GLN HE22 1 64 ILE MD . . 5.500 4.587 3.866 5.416 . 0 0 "[ . 1 . 2]" 1
1092 1 60 GLN QG 1 63 MET ME . . 5.170 3.299 1.880 4.030 . 0 0 "[ . 1 . 2]" 1
1093 1 60 GLN QG 1 64 ILE MD . . 4.190 1.954 1.745 2.275 . 0 0 "[ . 1 . 2]" 1
1094 1 60 GLN QG 1 64 ILE HG13 . . 5.420 3.008 2.404 3.424 . 0 0 "[ . 1 . 2]" 1
1095 1 61 ARG H 1 61 ARG HB3 . . 3.000 2.331 2.287 2.495 . 0 0 "[ . 1 . 2]" 1
1096 1 61 ARG H 1 61 ARG QD . . 4.800 4.166 3.544 4.405 . 0 0 "[ . 1 . 2]" 1
1097 1 61 ARG HA 1 61 ARG QD . . 4.530 4.174 4.028 4.458 . 0 0 "[ . 1 . 2]" 1
1098 1 61 ARG HA 1 61 ARG QG . . 3.250 2.905 2.540 3.293 0.043 6 0 "[ . 1 . 2]" 1
1099 1 61 ARG HA 1 64 ILE HB . . 3.910 2.983 2.750 4.030 0.120 2 0 "[ . 1 . 2]" 1
1100 1 61 ARG HA 1 64 ILE MD . . 4.540 3.947 3.292 4.395 . 0 0 "[ . 1 . 2]" 1
1101 1 61 ARG HA 1 64 ILE HG13 . . 5.090 4.358 3.678 4.666 . 0 0 "[ . 1 . 2]" 1
1102 1 61 ARG HA 1 65 LEU H . . 3.810 2.654 2.162 3.250 . 0 0 "[ . 1 . 2]" 1
1103 1 61 ARG HA 1 65 LEU QB . . 3.270 2.817 2.357 3.273 0.003 7 0 "[ . 1 . 2]" 1
1104 1 61 ARG QB 1 62 ALA HA . . 4.970 4.491 4.242 4.628 . 0 0 "[ . 1 . 2]" 1
1105 1 61 ARG QB 1 65 LEU QD . . 4.270 3.323 2.491 3.933 . 0 0 "[ . 1 . 2]" 1
1106 1 61 ARG HB3 1 61 ARG HE . . 5.500 4.244 2.067 4.774 . 0 0 "[ . 1 . 2]" 1
1107 1 61 ARG HB3 1 62 ALA H . . 3.420 3.329 2.392 3.735 0.315 19 0 "[ . 1 . 2]" 1
1108 1 61 ARG QD 1 65 LEU QB . . 5.010 4.220 3.716 5.035 0.025 11 0 "[ . 1 . 2]" 1
1109 1 61 ARG QD 1 65 LEU QD . . 5.230 3.486 2.829 4.527 . 0 0 "[ . 1 . 2]" 1
1110 1 61 ARG HE 1 65 LEU QD . . 5.500 3.223 1.860 4.988 . 0 0 "[ . 1 . 2]" 1
1111 1 62 ALA H 1 62 ALA MB . . 3.220 2.224 2.143 2.319 . 0 0 "[ . 1 . 2]" 1
1112 1 62 ALA H 1 64 ILE H . . 5.270 3.914 3.695 4.476 . 0 0 "[ . 1 . 2]" 1
1113 1 62 ALA H 1 68 SER HA . . 5.290 4.584 4.005 5.298 0.008 8 0 "[ . 1 . 2]" 1
1114 1 62 ALA H 1 71 LEU QD . . 4.990 3.358 2.901 3.827 . 0 0 "[ . 1 . 2]" 1
1115 1 62 ALA HA 1 64 ILE H . . 5.020 4.502 4.316 4.663 . 0 0 "[ . 1 . 2]" 1
1116 1 62 ALA HA 1 65 LEU H . . 5.140 4.741 4.386 5.135 . 0 0 "[ . 1 . 2]" 1
1117 1 62 ALA HA 1 65 LEU QB . . 4.560 4.044 3.683 4.355 . 0 0 "[ . 1 . 2]" 1
1118 1 62 ALA HA 1 67 LYS H . . 3.570 2.107 1.942 2.760 . 0 0 "[ . 1 . 2]" 1
1119 1 62 ALA HA 1 68 SER HA . . 3.670 3.507 3.124 3.688 0.018 4 0 "[ . 1 . 2]" 1
1120 1 62 ALA HA 1 71 LEU QD . . 4.820 4.188 3.734 4.586 . 0 0 "[ . 1 . 2]" 1
1121 1 62 ALA MB 1 63 MET H . . 3.600 2.824 2.493 2.992 . 0 0 "[ . 1 . 2]" 1
1122 1 62 ALA MB 1 63 MET ME . . 5.500 4.501 3.926 5.609 0.109 2 0 "[ . 1 . 2]" 1
1123 1 62 ALA MB 1 63 MET HG2 . . 5.320 4.645 4.385 6.181 0.861 2 1 "[ + . 1 . 2]" 1
1124 1 62 ALA MB 1 63 MET HG3 . . 5.270 5.635 5.430 5.734 0.464 19 0 "[ . 1 . 2]" 1
1125 1 62 ALA MB 1 67 LYS HA . . 5.500 4.530 4.204 4.854 . 0 0 "[ . 1 . 2]" 1
1126 1 62 ALA MB 1 68 SER HA . . 3.210 2.104 1.889 2.466 . 0 0 "[ . 1 . 2]" 1
1127 1 62 ALA MB 1 68 SER HB2 . . 3.620 3.189 2.387 3.627 0.007 15 0 "[ . 1 . 2]" 1
1128 1 62 ALA MB 1 68 SER HB3 . . 3.620 2.390 1.934 3.637 0.017 12 0 "[ . 1 . 2]" 1
1129 1 62 ALA MB 1 71 LEU QB . . 4.050 3.130 2.813 3.472 . 0 0 "[ . 1 . 2]" 1
1130 1 62 ALA MB 1 71 LEU QD . . 3.210 1.967 1.764 2.233 . 0 0 "[ . 1 . 2]" 1
1131 1 63 MET H 1 63 MET HB3 . . 3.380 2.593 2.449 2.743 . 0 0 "[ . 1 . 2]" 1
1132 1 63 MET H 1 63 MET HG2 . . 4.430 2.416 2.225 4.545 0.115 2 0 "[ . 1 . 2]" 1
1133 1 63 MET H 1 63 MET HG3 . . 4.270 3.481 3.361 4.354 0.084 2 0 "[ . 1 . 2]" 1
1134 1 63 MET H 1 64 ILE H . . 3.600 2.285 2.058 2.631 . 0 0 "[ . 1 . 2]" 1
1135 1 63 MET H 1 64 ILE HG13 . . 5.440 4.037 3.743 4.363 . 0 0 "[ . 1 . 2]" 1
1136 1 63 MET H 1 71 LEU QD . . 5.500 4.545 3.982 4.857 . 0 0 "[ . 1 . 2]" 1
1137 1 63 MET HA 1 63 MET HG2 . . 3.800 3.762 3.040 3.832 0.032 19 0 "[ . 1 . 2]" 1
1138 1 63 MET HA 1 63 MET HG3 . . 3.830 3.600 2.393 3.706 . 0 0 "[ . 1 . 2]" 1
1139 1 63 MET HA 1 65 LEU H . . 5.020 5.592 5.045 5.748 0.728 6 15 "[****.+* ****-*. * **]" 1
1140 1 63 MET QB 1 64 ILE HA . . 4.770 4.518 4.105 4.597 . 0 0 "[ . 1 . 2]" 1
1141 1 63 MET QB 1 64 ILE HG13 . . 4.710 3.954 2.689 4.128 . 0 0 "[ . 1 . 2]" 1
1142 1 63 MET HB2 1 64 ILE H . . 3.540 3.976 3.635 4.047 0.507 20 1 "[ . 1 . +]" 1
1143 1 63 MET ME 1 64 ILE MD . . 4.830 4.173 2.193 4.825 . 0 0 "[ . 1 . 2]" 1
1144 1 63 MET ME 1 64 ILE HG13 . . 5.010 3.931 2.241 4.534 . 0 0 "[ . 1 . 2]" 1
1145 1 63 MET HG2 1 64 ILE MG . . 4.840 5.087 4.968 5.288 0.448 1 0 "[ . 1 . 2]" 1
1146 1 64 ILE H 1 64 ILE HB . . 3.280 2.530 2.445 2.816 . 0 0 "[ . 1 . 2]" 1
1147 1 64 ILE H 1 64 ILE HG12 . . 3.680 3.586 2.965 3.714 0.034 1 0 "[ . 1 . 2]" 1
1148 1 64 ILE H 1 64 ILE HG13 . . 3.880 2.401 1.948 2.531 . 0 0 "[ . 1 . 2]" 1
1149 1 64 ILE H 1 64 ILE MG . . 4.300 3.788 3.761 3.811 . 0 0 "[ . 1 . 2]" 1
1150 1 64 ILE H 1 65 LEU H . . 3.680 2.682 2.404 2.841 . 0 0 "[ . 1 . 2]" 1
1151 1 64 ILE H 1 66 GLY H . . 4.600 3.507 3.175 3.945 . 0 0 "[ . 1 . 2]" 1
1152 1 64 ILE HA 1 64 ILE HG12 . . 3.790 2.535 2.462 2.751 . 0 0 "[ . 1 . 2]" 1
1153 1 64 ILE HA 1 64 ILE HG13 . . 3.580 3.061 2.931 3.389 . 0 0 "[ . 1 . 2]" 1
1154 1 64 ILE HA 1 64 ILE MG . . 3.080 2.357 2.232 2.419 . 0 0 "[ . 1 . 2]" 1
1155 1 64 ILE HB 1 64 ILE MD . . 3.540 2.361 2.301 2.435 . 0 0 "[ . 1 . 2]" 1
1156 1 64 ILE HB 1 65 LEU H . . 3.170 2.028 1.933 2.397 . 0 0 "[ . 1 . 2]" 1
1157 1 64 ILE MD 1 64 ILE MG . . 3.220 2.031 1.965 2.103 . 0 0 "[ . 1 . 2]" 1
1158 1 64 ILE HG12 1 64 ILE MG . . 3.620 2.393 2.337 2.432 . 0 0 "[ . 1 . 2]" 1
1159 1 64 ILE HG13 1 64 ILE MG . . 3.490 3.197 3.185 3.203 . 0 0 "[ . 1 . 2]" 1
1160 1 64 ILE HG13 1 65 LEU H . . 4.830 4.030 3.464 4.158 . 0 0 "[ . 1 . 2]" 1
1161 1 64 ILE MG 1 65 LEU H . . 3.920 2.889 2.522 3.409 . 0 0 "[ . 1 . 2]" 1
1162 1 64 ILE MG 1 65 LEU HA . . 4.220 3.264 2.953 3.837 . 0 0 "[ . 1 . 2]" 1
1163 1 65 LEU H 1 65 LEU QB . . 3.690 2.103 2.021 2.241 . 0 0 "[ . 1 . 2]" 1
1164 1 65 LEU H 1 66 GLY H . . 3.410 2.722 2.267 2.921 . 0 0 "[ . 1 . 2]" 1
1165 1 65 LEU H 1 67 LYS H . . 4.680 4.429 4.059 4.673 . 0 0 "[ . 1 . 2]" 1
1166 1 65 LEU HA 1 65 LEU QD . . 2.990 2.637 2.241 2.876 . 0 0 "[ . 1 . 2]" 1
1167 1 65 LEU HA 1 65 LEU HG . . 3.820 2.361 2.210 2.499 . 0 0 "[ . 1 . 2]" 1
1168 1 65 LEU HA 1 67 LYS H . . 4.810 5.014 4.378 5.345 0.535 17 2 "[ . 1 . + -]" 1
1169 1 65 LEU QB 1 66 GLY H . . 4.200 2.704 2.332 3.206 . 0 0 "[ . 1 . 2]" 1
1170 1 65 LEU QB 1 67 LYS QG . . 4.460 3.119 2.233 4.034 . 0 0 "[ . 1 . 2]" 1
1171 1 65 LEU QD 1 66 GLY H . . 4.910 4.008 3.637 4.391 . 0 0 "[ . 1 . 2]" 1
1172 1 65 LEU QD 1 67 LYS H . . 5.500 3.792 3.014 4.416 . 0 0 "[ . 1 . 2]" 1
1173 1 65 LEU QD 1 67 LYS HB3 . . 4.580 3.944 3.224 5.028 0.448 10 0 "[ . 1 . 2]" 1
1174 1 65 LEU QD 1 67 LYS QD . . 4.180 3.634 2.407 4.612 0.432 18 0 "[ . 1 . 2]" 1
1175 1 65 LEU QD 1 67 LYS HE2 . . 4.280 3.743 2.271 5.149 0.869 14 4 "[ . *-* +. 2]" 1
1176 1 65 LEU QD 1 67 LYS HE3 . . 4.720 3.728 2.448 5.632 0.912 18 1 "[ . 1 . + 2]" 1
1177 1 65 LEU QD 1 67 LYS QG . . 4.140 2.419 1.898 3.130 . 0 0 "[ . 1 . 2]" 1
1178 1 65 LEU HG 1 66 GLY H . . 4.830 4.771 4.406 5.080 0.250 7 0 "[ . 1 . 2]" 1
1179 1 65 LEU HG 1 67 LYS H . . 5.500 5.337 4.807 5.961 0.461 10 0 "[ . 1 . 2]" 1
1180 1 66 GLY H 1 67 LYS H . . 3.510 2.325 1.898 2.820 . 0 0 "[ . 1 . 2]" 1
1181 1 66 GLY HA3 1 67 LYS HA . . 4.670 4.587 4.403 4.691 0.021 1 0 "[ . 1 . 2]" 1
1182 1 67 LYS H 1 67 LYS HB2 . . 3.400 2.842 2.533 3.990 0.590 1 1 "[+ . 1 . 2]" 1
1183 1 67 LYS H 1 67 LYS HB3 . . 3.990 3.815 3.459 3.924 . 0 0 "[ . 1 . 2]" 1
1184 1 67 LYS H 1 67 LYS QG . . 3.940 2.994 2.141 3.536 . 0 0 "[ . 1 . 2]" 1
1185 1 67 LYS H 1 68 SER H . . 5.110 3.920 3.405 4.360 . 0 0 "[ . 1 . 2]" 1
1186 1 67 LYS HA 1 67 LYS QD . . 3.900 2.925 1.986 3.803 . 0 0 "[ . 1 . 2]" 1
1187 1 67 LYS HA 1 67 LYS QG . . 3.470 2.655 2.199 3.392 . 0 0 "[ . 1 . 2]" 1
1188 1 67 LYS HB2 1 67 LYS HE3 . . 5.410 4.252 2.774 5.144 . 0 0 "[ . 1 . 2]" 1
1189 1 67 LYS HE2 1 67 LYS QG . . 3.480 2.386 2.031 2.981 . 0 0 "[ . 1 . 2]" 1
1190 1 67 LYS QG 1 68 SER HA . . 5.020 5.937 4.608 6.284 1.264 18 19 "[ ******-*********+**]" 1
1191 1 68 SER HA 1 68 SER HB2 . . 3.000 2.654 2.303 2.988 . 0 0 "[ . 1 . 2]" 1
1192 1 68 SER HA 1 68 SER HB3 . . 2.890 2.452 2.241 2.984 0.094 12 0 "[ . 1 . 2]" 1
1193 1 68 SER HA 1 70 GLU H . . 4.920 4.044 3.152 4.610 . 0 0 "[ . 1 . 2]" 1
1194 1 68 SER HA 1 71 LEU H . . 4.270 3.309 2.898 3.588 . 0 0 "[ . 1 . 2]" 1
1195 1 68 SER HA 1 71 LEU QB . . 3.850 2.589 2.467 2.747 . 0 0 "[ . 1 . 2]" 1
1196 1 68 SER HA 1 71 LEU QD . . 4.280 2.955 2.124 3.625 . 0 0 "[ . 1 . 2]" 1
1197 1 68 SER HA 1 72 LYS H . . 4.950 4.813 4.365 5.000 0.050 5 0 "[ . 1 . 2]" 1
1198 1 68 SER HB2 1 71 LEU H . . 5.140 4.411 3.150 5.484 0.344 20 0 "[ . 1 . 2]" 1
1199 1 68 SER HB2 1 71 LEU QB . . 4.420 2.993 1.898 3.990 . 0 0 "[ . 1 . 2]" 1
1200 1 68 SER HB3 1 71 LEU H . . 5.290 4.743 3.216 5.638 0.348 10 0 "[ . 1 . 2]" 1
1201 1 68 SER HB3 1 71 LEU QB . . 4.420 3.208 2.028 4.264 . 0 0 "[ . 1 . 2]" 1
1202 1 68 SER HB3 1 71 LEU QD . . 4.120 3.321 2.319 4.321 0.201 4 0 "[ . 1 . 2]" 1
1203 1 69 GLY H 1 70 GLU H . . 3.980 3.061 2.394 4.084 0.104 12 0 "[ . 1 . 2]" 1
1204 1 69 GLY HA2 1 72 LYS QB . . 4.390 4.032 3.212 4.397 0.007 7 0 "[ . 1 . 2]" 1
1205 1 69 GLY HA3 1 70 GLU H . . 3.560 2.674 2.310 3.124 . 0 0 "[ . 1 . 2]" 1
1206 1 70 GLU H 1 70 GLU HB2 . . 3.430 2.269 2.067 2.496 . 0 0 "[ . 1 . 2]" 1
1207 1 70 GLU H 1 70 GLU HB3 . . 3.750 3.516 3.299 3.617 . 0 0 "[ . 1 . 2]" 1
1208 1 70 GLU H 1 71 LEU H . . 3.450 2.432 2.015 2.771 . 0 0 "[ . 1 . 2]" 1
1209 1 70 GLU H 1 71 LEU QB . . 4.910 4.086 3.667 4.450 . 0 0 "[ . 1 . 2]" 1
1210 1 70 GLU H 1 72 LYS QB . . 5.070 5.456 4.977 5.916 0.846 7 7 "[ **+ * .* - *]" 1
1211 1 70 GLU HA 1 70 GLU HG2 . . 3.750 3.420 2.071 3.661 . 0 0 "[ . 1 . 2]" 1
1212 1 70 GLU HA 1 70 GLU HG3 . . 3.530 2.466 2.146 3.714 0.184 7 0 "[ . 1 . 2]" 1
1213 1 70 GLU HB2 1 71 LEU H . . 4.060 3.030 2.728 3.262 . 0 0 "[ . 1 . 2]" 1
1214 1 70 GLU HB3 1 71 LEU H . . 3.710 3.595 3.180 3.747 0.037 19 0 "[ . 1 . 2]" 1
1215 1 70 GLU HB3 1 73 THR HB . . 4.820 4.426 3.927 4.823 0.003 8 0 "[ . 1 . 2]" 1
1216 1 71 LEU H 1 71 LEU QB . . 3.120 2.053 2.025 2.106 . 0 0 "[ . 1 . 2]" 1
1217 1 71 LEU H 1 71 LEU QD . . 4.500 3.216 2.415 3.753 . 0 0 "[ . 1 . 2]" 1
1218 1 71 LEU H 1 72 LYS H . . 3.250 2.888 2.732 2.998 . 0 0 "[ . 1 . 2]" 1
1219 1 71 LEU H 1 73 THR H . . 5.230 4.285 3.980 4.713 . 0 0 "[ . 1 . 2]" 1
1220 1 71 LEU HA 1 71 LEU QD . . 3.140 2.072 1.879 2.218 . 0 0 "[ . 1 . 2]" 1
1221 1 71 LEU HA 1 71 LEU HG . . 3.750 3.047 2.622 3.632 . 0 0 "[ . 1 . 2]" 1
1222 1 71 LEU HA 1 72 LYS HA . . 4.910 4.829 4.722 4.854 . 0 0 "[ . 1 . 2]" 1
1223 1 71 LEU HA 1 74 TRP HA . . 5.250 5.374 5.189 5.588 0.338 4 0 "[ . 1 . 2]" 1
1224 1 71 LEU HA 1 74 TRP HB2 . . 3.580 3.459 3.245 3.620 0.040 19 0 "[ . 1 . 2]" 1
1225 1 71 LEU HA 1 74 TRP HB3 . . 3.520 2.772 2.621 2.943 . 0 0 "[ . 1 . 2]" 1
1226 1 71 LEU HA 1 74 TRP HD1 . . 4.260 4.259 4.025 4.306 0.046 7 0 "[ . 1 . 2]" 1
1227 1 71 LEU HA 1 75 GLY H . . 4.640 3.961 3.493 4.627 . 0 0 "[ . 1 . 2]" 1
1228 1 71 LEU QD 1 72 LYS H . . 5.010 3.766 3.535 4.021 . 0 0 "[ . 1 . 2]" 1
1229 1 71 LEU QD 1 74 TRP HB3 . . 4.180 2.967 2.733 3.330 . 0 0 "[ . 1 . 2]" 1
1230 1 71 LEU QD 1 74 TRP HD1 . . 3.440 2.987 2.760 3.276 . 0 0 "[ . 1 . 2]" 1
1231 1 71 LEU QD 1 74 TRP HE1 . . 5.500 4.929 4.741 5.059 . 0 0 "[ . 1 . 2]" 1
1232 1 71 LEU QD 1 75 GLY H . . 5.500 3.529 2.915 4.138 . 0 0 "[ . 1 . 2]" 1
1233 1 72 LYS H 1 72 LYS QB . . 2.760 2.269 2.051 2.505 . 0 0 "[ . 1 . 2]" 1
1234 1 72 LYS H 1 72 LYS QD . . 4.510 4.290 3.860 4.506 . 0 0 "[ . 1 . 2]" 1
1235 1 72 LYS H 1 72 LYS QG . . 4.920 2.705 2.113 3.800 . 0 0 "[ . 1 . 2]" 1
1236 1 72 LYS H 1 73 THR H . . 3.260 2.816 2.521 2.968 . 0 0 "[ . 1 . 2]" 1
1237 1 72 LYS HA 1 72 LYS QB . . 2.630 2.415 2.170 2.536 . 0 0 "[ . 1 . 2]" 1
1238 1 72 LYS HA 1 72 LYS QD . . 3.450 2.924 2.028 3.799 0.349 6 0 "[ . 1 . 2]" 1
1239 1 72 LYS HA 1 72 LYS QE . . 4.330 3.676 2.054 4.634 0.304 6 0 "[ . 1 . 2]" 1
1240 1 72 LYS HA 1 72 LYS QG . . 2.990 2.564 2.163 3.425 0.435 16 0 "[ . 1 . 2]" 1
1241 1 72 LYS HA 1 75 GLY H . . 4.080 3.719 3.450 4.091 0.011 16 0 "[ . 1 . 2]" 1
1242 1 72 LYS QB 1 72 LYS QD . . 3.150 2.210 1.959 2.628 . 0 0 "[ . 1 . 2]" 1
1243 1 72 LYS QB 1 73 THR H . . 3.140 2.716 2.228 3.492 0.352 16 0 "[ . 1 . 2]" 1
1244 1 72 LYS QE 1 76 LEU QD . . 4.220 3.504 2.115 4.075 . 0 0 "[ . 1 . 2]" 1
1245 1 72 LYS QG 1 76 LEU QD . . 5.500 4.482 2.738 4.964 . 0 0 "[ . 1 . 2]" 1
1246 1 73 THR H 1 73 THR HB . . 2.990 2.901 2.620 3.022 0.032 12 0 "[ . 1 . 2]" 1
1247 1 73 THR H 1 73 THR MG . . 4.450 3.688 3.623 3.786 . 0 0 "[ . 1 . 2]" 1
1248 1 73 THR H 1 74 TRP H . . 3.310 2.624 2.427 2.872 . 0 0 "[ . 1 . 2]" 1
1249 1 73 THR H 1 74 TRP HB2 . . 5.090 4.988 4.759 5.240 0.150 17 0 "[ . 1 . 2]" 1
1250 1 73 THR HA 1 73 THR MG . . 3.250 2.152 1.981 2.350 . 0 0 "[ . 1 . 2]" 1
1251 1 73 THR HA 1 74 TRP HA . . 5.440 4.771 4.713 4.860 . 0 0 "[ . 1 . 2]" 1
1252 1 73 THR HA 1 76 LEU HB2 . . 3.950 3.137 2.899 3.361 . 0 0 "[ . 1 . 2]" 1
1253 1 73 THR HA 1 76 LEU HB3 . . 4.420 4.715 4.303 4.967 0.547 9 3 "[ . *+1 . - 2]" 1
1254 1 73 THR HA 1 76 LEU QD . . 3.570 2.695 1.906 3.094 . 0 0 "[ . 1 . 2]" 1
1255 1 73 THR HA 1 76 LEU HG . . 5.070 4.600 3.965 5.063 . 0 0 "[ . 1 . 2]" 1
1256 1 73 THR HA 1 77 VAL H . . 5.020 4.057 3.824 4.258 . 0 0 "[ . 1 . 2]" 1
1257 1 73 THR HB 1 74 TRP H . . 3.130 2.725 2.544 3.017 . 0 0 "[ . 1 . 2]" 1
1258 1 73 THR HB 1 77 VAL MG2 . . 5.240 4.111 3.715 4.837 . 0 0 "[ . 1 . 2]" 1
1259 1 73 THR MG 1 74 TRP H . . 4.340 3.939 3.725 4.156 . 0 0 "[ . 1 . 2]" 1
1260 1 73 THR MG 1 74 TRP HA . . 4.680 4.195 3.731 4.516 . 0 0 "[ . 1 . 2]" 1
1261 1 73 THR MG 1 74 TRP HE3 . . 5.500 5.023 4.593 5.240 . 0 0 "[ . 1 . 2]" 1
1262 1 73 THR MG 1 77 VAL H . . 5.390 4.066 3.674 4.284 . 0 0 "[ . 1 . 2]" 1
1263 1 73 THR MG 1 77 VAL HA . . 5.280 5.450 5.181 5.715 0.435 10 0 "[ . 1 . 2]" 1
1264 1 73 THR MG 1 77 VAL HB . . 4.230 4.251 4.050 4.441 0.211 12 0 "[ . 1 . 2]" 1
1265 1 73 THR MG 1 77 VAL MG1 . . 4.690 4.574 4.399 4.686 . 0 0 "[ . 1 . 2]" 1
1266 1 73 THR MG 1 77 VAL MG2 . . 3.810 2.508 2.246 2.778 . 0 0 "[ . 1 . 2]" 1
1267 1 74 TRP H 1 74 TRP HB2 . . 2.930 2.545 2.434 2.655 . 0 0 "[ . 1 . 2]" 1
1268 1 74 TRP H 1 74 TRP HE3 . . 4.950 4.510 4.347 4.695 . 0 0 "[ . 1 . 2]" 1
1269 1 74 TRP H 1 75 GLY H . . 3.670 2.702 2.577 2.835 . 0 0 "[ . 1 . 2]" 1
1270 1 74 TRP H 1 76 LEU H . . 5.370 4.133 3.926 4.593 . 0 0 "[ . 1 . 2]" 1
1271 1 74 TRP HA 1 74 TRP HD1 . . 4.820 4.671 4.595 4.765 . 0 0 "[ . 1 . 2]" 1
1272 1 74 TRP HA 1 74 TRP HE3 . . 3.180 2.020 1.954 2.250 . 0 0 "[ . 1 . 2]" 1
1273 1 74 TRP HA 1 74 TRP HZ3 . . 4.600 4.328 4.264 4.512 . 0 0 "[ . 1 . 2]" 1
1274 1 74 TRP HA 1 76 LEU H . . 5.220 4.226 3.840 4.898 . 0 0 "[ . 1 . 2]" 1
1275 1 74 TRP HA 1 77 VAL H . . 4.100 3.708 3.413 3.946 . 0 0 "[ . 1 . 2]" 1
1276 1 74 TRP HA 1 77 VAL HB . . 3.350 2.846 2.692 3.012 . 0 0 "[ . 1 . 2]" 1
1277 1 74 TRP HA 1 77 VAL MG1 . . 4.130 4.164 4.071 4.235 0.105 20 0 "[ . 1 . 2]" 1
1278 1 74 TRP HA 1 77 VAL MG2 . . 3.990 3.603 3.205 3.974 . 0 0 "[ . 1 . 2]" 1
1279 1 74 TRP HA 1 78 LEU H . . 4.480 3.736 3.331 4.345 . 0 0 "[ . 1 . 2]" 1
1280 1 74 TRP HB2 1 74 TRP HE3 . . 4.030 3.092 2.960 3.163 . 0 0 "[ . 1 . 2]" 1
1281 1 74 TRP HB3 1 74 TRP HD1 . . 3.550 2.554 2.547 2.563 . 0 0 "[ . 1 . 2]" 1
1282 1 74 TRP HD1 1 75 GLY H . . 4.600 4.130 3.862 4.419 . 0 0 "[ . 1 . 2]" 1
1283 1 74 TRP HE1 1 78 LEU QD . . 3.960 2.733 2.291 3.624 . 0 0 "[ . 1 . 2]" 1
1284 1 74 TRP HE3 1 77 VAL HB . . 3.840 3.118 2.518 3.527 . 0 0 "[ . 1 . 2]" 1
1285 1 74 TRP HE3 1 77 VAL MG1 . . 4.000 3.572 3.212 3.758 . 0 0 "[ . 1 . 2]" 1
1286 1 74 TRP HE3 1 77 VAL MG2 . . 4.610 4.049 3.585 4.544 . 0 0 "[ . 1 . 2]" 1
1287 1 74 TRP HH2 1 77 VAL MG1 . . 5.050 4.557 4.327 4.642 . 0 0 "[ . 1 . 2]" 1
1288 1 74 TRP HH2 1 78 LEU QB . . 5.190 4.559 3.650 5.039 . 0 0 "[ . 1 . 2]" 1
1289 1 74 TRP HH2 1 78 LEU QD . . 4.250 3.132 2.806 3.856 . 0 0 "[ . 1 . 2]" 1
1290 1 74 TRP HH2 1 81 LEU QD . . 4.720 4.356 4.220 4.562 . 0 0 "[ . 1 . 2]" 1
1291 1 74 TRP HZ2 1 78 LEU QB . . 5.180 4.103 3.287 4.616 . 0 0 "[ . 1 . 2]" 1
1292 1 74 TRP HZ2 1 78 LEU QD . . 3.840 2.506 2.282 2.963 . 0 0 "[ . 1 . 2]" 1
1293 1 74 TRP HZ2 1 78 LEU HG . . 5.210 4.654 2.831 5.294 0.084 15 0 "[ . 1 . 2]" 1
1294 1 74 TRP HZ3 1 77 VAL HB . . 5.150 4.001 3.357 4.411 . 0 0 "[ . 1 . 2]" 1
1295 1 74 TRP HZ3 1 77 VAL MG1 . . 3.790 3.006 2.419 3.300 . 0 0 "[ . 1 . 2]" 1
1296 1 74 TRP HZ3 1 77 VAL MG2 . . 5.500 4.818 4.458 5.205 . 0 0 "[ . 1 . 2]" 1
1297 1 74 TRP HZ3 1 78 LEU QD . . 5.280 4.098 3.697 4.765 . 0 0 "[ . 1 . 2]" 1
1298 1 74 TRP HZ3 1 81 LEU QD . . 4.500 4.373 4.003 4.472 . 0 0 "[ . 1 . 2]" 1
1299 1 75 GLY H 1 76 LEU H . . 3.490 2.849 2.775 3.037 . 0 0 "[ . 1 . 2]" 1
1300 1 75 GLY HA2 1 78 LEU QB . . 4.300 2.880 2.608 3.018 . 0 0 "[ . 1 . 2]" 1
1301 1 75 GLY HA2 1 78 LEU QD . . 5.010 3.329 3.054 3.735 . 0 0 "[ . 1 . 2]" 1
1302 1 75 GLY HA3 1 76 LEU H . . 3.540 2.853 2.585 2.995 . 0 0 "[ . 1 . 2]" 1
1303 1 75 GLY HA3 1 78 LEU H . . 5.250 4.909 4.461 5.251 0.001 10 0 "[ . 1 . 2]" 1
1304 1 75 GLY HA3 1 78 LEU QB . . 4.580 4.339 4.016 4.502 . 0 0 "[ . 1 . 2]" 1
1305 1 75 GLY HA3 1 78 LEU QD . . 5.450 4.748 4.540 5.077 . 0 0 "[ . 1 . 2]" 1
1306 1 75 GLY HA3 1 79 GLY H . . 5.110 4.821 4.577 5.130 0.020 15 0 "[ . 1 . 2]" 1
1307 1 76 LEU H 1 76 LEU HB2 . . 3.110 2.332 2.120 2.634 . 0 0 "[ . 1 . 2]" 1
1308 1 76 LEU H 1 76 LEU HB3 . . 3.510 3.546 3.440 3.614 0.104 15 0 "[ . 1 . 2]" 1
1309 1 76 LEU H 1 76 LEU HG . . 3.220 3.080 2.432 3.874 0.654 14 4 "[ . **1 +. - 2]" 1
1310 1 76 LEU H 1 77 VAL H . . 3.030 2.724 2.506 3.005 . 0 0 "[ . 1 . 2]" 1
1311 1 76 LEU H 1 78 LEU H . . 4.370 3.770 3.525 4.207 . 0 0 "[ . 1 . 2]" 1
1312 1 76 LEU HA 1 76 LEU QD . . 2.990 2.310 1.898 2.711 . 0 0 "[ . 1 . 2]" 1
1313 1 76 LEU HA 1 79 GLY H . . 4.360 3.564 3.318 3.892 . 0 0 "[ . 1 . 2]" 1
1314 1 76 LEU HB3 1 77 VAL H . . 3.900 3.058 2.721 3.370 . 0 0 "[ . 1 . 2]" 1
1315 1 77 VAL H 1 77 VAL HB . . 2.960 2.533 2.423 2.625 . 0 0 "[ . 1 . 2]" 1
1316 1 77 VAL H 1 77 VAL MG1 . . 4.100 3.762 3.746 3.767 . 0 0 "[ . 1 . 2]" 1
1317 1 77 VAL H 1 77 VAL MG2 . . 3.400 2.168 1.942 2.413 . 0 0 "[ . 1 . 2]" 1
1318 1 77 VAL H 1 78 LEU H . . 3.510 2.762 2.543 2.893 . 0 0 "[ . 1 . 2]" 1
1319 1 77 VAL HA 1 77 VAL MG1 . . 3.330 2.368 2.342 2.442 . 0 0 "[ . 1 . 2]" 1
1320 1 77 VAL HA 1 77 VAL MG2 . . 3.210 2.324 2.200 2.440 . 0 0 "[ . 1 . 2]" 1
1321 1 77 VAL HA 1 80 ALA MB . . 3.570 3.008 2.726 3.438 . 0 0 "[ . 1 . 2]" 1
1322 1 77 VAL HB 1 78 LEU H . . 3.350 2.833 2.466 3.030 . 0 0 "[ . 1 . 2]" 1
1323 1 77 VAL MG1 1 78 LEU HA . . 4.080 3.565 3.317 3.692 . 0 0 "[ . 1 . 2]" 1
1324 1 77 VAL MG2 1 78 LEU H . . 4.230 3.955 3.818 4.044 . 0 0 "[ . 1 . 2]" 1
1325 1 78 LEU H 1 78 LEU QB . . 3.010 2.227 2.128 2.269 . 0 0 "[ . 1 . 2]" 1
1326 1 78 LEU H 1 78 LEU QD . . 4.500 3.655 3.563 3.762 . 0 0 "[ . 1 . 2]" 1
1327 1 78 LEU H 1 79 GLY H . . 3.610 2.608 2.433 2.820 . 0 0 "[ . 1 . 2]" 1
1328 1 78 LEU H 1 79 GLY HA3 . . 5.020 4.814 4.650 5.015 . 0 0 "[ . 1 . 2]" 1
1329 1 78 LEU H 1 80 ALA H . . 5.220 3.976 3.730 4.262 . 0 0 "[ . 1 . 2]" 1
1330 1 78 LEU H 1 81 LEU H . . 5.500 4.829 4.681 4.991 . 0 0 "[ . 1 . 2]" 1
1331 1 78 LEU HA 1 78 LEU QD . . 3.200 2.255 2.002 2.565 . 0 0 "[ . 1 . 2]" 1
1332 1 78 LEU HA 1 81 LEU H . . 3.980 3.531 3.403 3.689 . 0 0 "[ . 1 . 2]" 1
1333 1 78 LEU HA 1 81 LEU HB2 . . 3.690 2.785 2.702 2.884 . 0 0 "[ . 1 . 2]" 1
1334 1 78 LEU HA 1 81 LEU HB3 . . 4.610 4.067 3.875 4.341 . 0 0 "[ . 1 . 2]" 1
1335 1 78 LEU HA 1 81 LEU QD . . 3.770 3.403 2.955 3.578 . 0 0 "[ . 1 . 2]" 1
1336 1 78 LEU HA 1 81 LEU HG . . 4.930 4.720 3.955 4.888 . 0 0 "[ . 1 . 2]" 1
1337 1 78 LEU HA 1 82 LYS H . . 4.780 3.890 3.558 4.556 . 0 0 "[ . 1 . 2]" 1
1338 1 78 LEU QB 1 79 GLY H . . 3.490 2.335 2.181 2.567 . 0 0 "[ . 1 . 2]" 1
1339 1 78 LEU QB 1 82 LYS QD . . 5.180 3.901 2.810 4.546 . 0 0 "[ . 1 . 2]" 1
1340 1 78 LEU QB 1 82 LYS QE . . 5.450 4.343 3.563 5.065 . 0 0 "[ . 1 . 2]" 1
1341 1 78 LEU QD 1 79 GLY H . . 5.320 3.549 2.485 4.049 . 0 0 "[ . 1 . 2]" 1
1342 1 78 LEU QD 1 81 LEU H . . 5.330 4.611 3.816 5.042 . 0 0 "[ . 1 . 2]" 1
1343 1 78 LEU QD 1 81 LEU HB2 . . 4.290 3.604 2.689 4.205 . 0 0 "[ . 1 . 2]" 1
1344 1 78 LEU QD 1 81 LEU QD . . 4.900 3.571 3.292 4.012 . 0 0 "[ . 1 . 2]" 1
1345 1 78 LEU QD 1 82 LYS H . . 4.820 3.822 2.930 4.286 . 0 0 "[ . 1 . 2]" 1
1346 1 78 LEU QD 1 82 LYS HA . . 5.090 4.665 3.909 4.966 . 0 0 "[ . 1 . 2]" 1
1347 1 78 LEU QD 1 82 LYS HB2 . . 5.380 3.932 2.656 4.456 . 0 0 "[ . 1 . 2]" 1
1348 1 78 LEU QD 1 82 LYS QD . . 4.100 2.518 1.660 3.329 . 0 0 "[ . 1 . 2]" 1
1349 1 78 LEU QD 1 82 LYS QE . . 3.830 2.153 1.775 2.724 . 0 0 "[ . 1 . 2]" 1
1350 1 78 LEU QD 1 82 LYS QG . . 4.530 3.276 1.930 3.902 . 0 0 "[ . 1 . 2]" 1
1351 1 78 LEU HG 1 82 LYS QD . . 4.270 2.854 1.908 4.361 0.091 20 0 "[ . 1 . 2]" 1
1352 1 78 LEU HG 1 82 LYS QE . . 4.810 3.042 2.041 4.092 . 0 0 "[ . 1 . 2]" 1
1353 1 79 GLY H 1 80 ALA H . . 3.380 2.822 2.732 2.905 . 0 0 "[ . 1 . 2]" 1
1354 1 79 GLY H 1 81 LEU H . . 5.280 4.538 4.335 4.683 . 0 0 "[ . 1 . 2]" 1
1355 1 79 GLY HA2 1 82 LYS H . . 4.520 3.885 3.719 4.091 . 0 0 "[ . 1 . 2]" 1
1356 1 79 GLY HA2 1 82 LYS HB2 . . 4.250 2.862 2.551 3.105 . 0 0 "[ . 1 . 2]" 1
1357 1 79 GLY HA2 1 82 LYS HB3 . . 4.580 4.103 3.651 4.665 0.085 13 0 "[ . 1 . 2]" 1
1358 1 79 GLY HA2 1 82 LYS QD . . 4.310 3.049 2.605 3.213 . 0 0 "[ . 1 . 2]" 1
1359 1 79 GLY HA2 1 82 LYS QG . . 4.690 4.524 4.123 4.699 0.009 5 0 "[ . 1 . 2]" 1
1360 1 79 GLY HA3 1 82 LYS HB2 . . 5.180 4.456 4.187 4.598 . 0 0 "[ . 1 . 2]" 1
1361 1 79 GLY HA3 1 82 LYS QD . . 4.700 4.583 4.137 4.706 0.006 8 0 "[ . 1 . 2]" 1
1362 1 80 ALA H 1 80 ALA MB . . 3.080 2.151 2.033 2.259 . 0 0 "[ . 1 . 2]" 1
1363 1 80 ALA H 1 81 LEU H . . 3.280 2.662 2.541 2.795 . 0 0 "[ . 1 . 2]" 1
1364 1 80 ALA H 1 81 LEU HB2 . . 4.560 4.408 4.226 4.567 0.007 4 0 "[ . 1 . 2]" 1
1365 1 80 ALA HA 1 83 ALA H . . 3.930 3.653 3.484 3.758 . 0 0 "[ . 1 . 2]" 1
1366 1 80 ALA HA 1 83 ALA MB . . 3.440 2.999 2.681 3.220 . 0 0 "[ . 1 . 2]" 1
1367 1 80 ALA HA 1 84 ALA H . . 4.710 4.536 4.139 4.806 0.096 20 0 "[ . 1 . 2]" 1
1368 1 80 ALA MB 1 81 LEU H . . 3.550 2.429 2.284 2.578 . 0 0 "[ . 1 . 2]" 1
1369 1 81 LEU H 1 81 LEU HB2 . . 3.090 2.096 2.079 2.155 . 0 0 "[ . 1 . 2]" 1
1370 1 81 LEU H 1 81 LEU QD . . 4.250 3.322 2.238 3.532 . 0 0 "[ . 1 . 2]" 1
1371 1 81 LEU H 1 82 LYS H . . 3.390 2.805 2.700 2.975 . 0 0 "[ . 1 . 2]" 1
1372 1 81 LEU H 1 83 ALA H . . 5.220 4.251 4.074 4.602 . 0 0 "[ . 1 . 2]" 1
1373 1 81 LEU H 1 84 ALA H . . 5.410 4.693 4.507 4.833 . 0 0 "[ . 1 . 2]" 1
1374 1 81 LEU HA 1 81 LEU QD . . 3.020 1.998 1.873 2.232 . 0 0 "[ . 1 . 2]" 1
1375 1 81 LEU HA 1 81 LEU HG . . 3.890 2.852 2.512 3.651 . 0 0 "[ . 1 . 2]" 1
1376 1 81 LEU HA 1 84 ALA MB . . 3.380 2.401 2.179 2.618 . 0 0 "[ . 1 . 2]" 1
1377 1 81 LEU HA 1 85 ARG H . . 4.390 4.238 3.672 4.430 0.040 4 0 "[ . 1 . 2]" 1
1378 1 81 LEU HB2 1 84 ALA H . . 5.450 5.391 5.257 5.455 0.005 5 0 "[ . 1 . 2]" 1
1379 1 81 LEU QD 1 84 ALA MB . . 4.170 2.605 2.378 2.808 . 0 0 "[ . 1 . 2]" 1
1380 1 81 LEU QD 1 85 ARG QD . . 5.500 2.989 2.198 3.592 . 0 0 "[ . 1 . 2]" 1
1381 1 81 LEU HG 1 85 ARG H . . 5.310 6.688 5.985 7.207 1.897 13 20 [*-**********+*******] 1
1382 1 82 LYS H 1 82 LYS HB2 . . 3.150 2.142 2.065 2.275 . 0 0 "[ . 1 . 2]" 1
1383 1 82 LYS H 1 82 LYS HB3 . . 3.460 3.421 3.258 3.542 0.082 17 0 "[ . 1 . 2]" 1
1384 1 82 LYS H 1 83 ALA H . . 3.260 2.829 2.742 2.962 . 0 0 "[ . 1 . 2]" 1
1385 1 82 LYS H 1 83 ALA MB . . 5.500 4.498 4.439 4.566 . 0 0 "[ . 1 . 2]" 1
1386 1 82 LYS H 1 84 ALA H . . 4.400 4.036 3.824 4.256 . 0 0 "[ . 1 . 2]" 1
1387 1 82 LYS H 1 85 ARG QG . . 5.500 4.385 4.097 5.379 . 0 0 "[ . 1 . 2]" 1
1388 1 82 LYS HA 1 82 LYS QD . . 3.890 3.744 3.155 4.002 0.112 20 0 "[ . 1 . 2]" 1
1389 1 82 LYS HA 1 82 LYS QG . . 3.270 2.155 2.008 2.319 . 0 0 "[ . 1 . 2]" 1
1390 1 82 LYS HA 1 85 ARG HB2 . . 4.350 3.546 2.699 3.958 . 0 0 "[ . 1 . 2]" 1
1391 1 82 LYS HA 1 85 ARG QD . . 4.450 4.019 3.145 4.264 . 0 0 "[ . 1 . 2]" 1
1392 1 82 LYS HB2 1 82 LYS QE . . 4.920 3.862 3.672 4.052 . 0 0 "[ . 1 . 2]" 1
1393 1 82 LYS HB2 1 83 ALA H . . 3.400 3.007 2.741 3.300 . 0 0 "[ . 1 . 2]" 1
1394 1 82 LYS HB3 1 82 LYS QD . . 3.630 2.724 2.276 3.228 . 0 0 "[ . 1 . 2]" 1
1395 1 82 LYS HB3 1 82 LYS QE . . 5.080 4.130 3.863 4.350 . 0 0 "[ . 1 . 2]" 1
1396 1 82 LYS HB3 1 83 ALA H . . 3.770 3.112 2.610 3.506 . 0 0 "[ . 1 . 2]" 1
1397 1 83 ALA H 1 83 ALA MB . . 3.090 2.207 2.076 2.249 . 0 0 "[ . 1 . 2]" 1
1398 1 83 ALA H 1 84 ALA H . . 3.290 2.467 2.295 2.629 . 0 0 "[ . 1 . 2]" 1
1399 1 83 ALA H 1 84 ALA HA . . 5.210 5.089 4.950 5.208 . 0 0 "[ . 1 . 2]" 1
1400 1 83 ALA H 1 86 GLU H . . 5.130 5.041 4.727 5.525 0.395 9 0 "[ . 1 . 2]" 1
1401 1 83 ALA HA 1 86 GLU H . . 4.290 3.495 3.131 4.209 . 0 0 "[ . 1 . 2]" 1
1402 1 83 ALA MB 1 84 ALA H . . 3.680 2.831 2.627 3.091 . 0 0 "[ . 1 . 2]" 1
1403 1 83 ALA MB 1 84 ALA HA . . 4.740 3.890 3.780 4.018 . 0 0 "[ . 1 . 2]" 1
1404 1 83 ALA MB 1 84 ALA MB . . 4.270 3.841 3.715 3.961 . 0 0 "[ . 1 . 2]" 1
1405 1 83 ALA MB 1 85 ARG H . . 5.500 4.575 4.327 4.815 . 0 0 "[ . 1 . 2]" 1
1406 1 84 ALA H 1 84 ALA MB . . 3.130 2.175 2.107 2.303 . 0 0 "[ . 1 . 2]" 1
1407 1 84 ALA H 1 85 ARG HA . . 5.460 5.162 4.832 5.360 . 0 0 "[ . 1 . 2]" 1
1408 1 84 ALA H 1 85 ARG QG . . 5.500 3.933 3.574 5.262 . 0 0 "[ . 1 . 2]" 1
1409 1 84 ALA H 1 86 GLU H . . 4.150 4.048 3.888 4.145 . 0 0 "[ . 1 . 2]" 1
1410 1 84 ALA HA 1 86 GLU H . . 4.420 4.145 3.664 4.414 . 0 0 "[ . 1 . 2]" 1
1411 1 84 ALA HA 1 87 GLU H . . 4.090 3.607 2.995 4.078 . 0 0 "[ . 1 . 2]" 1
1412 1 84 ALA HA 1 87 GLU QG . . 4.990 4.056 2.586 4.964 . 0 0 "[ . 1 . 2]" 1
1413 1 84 ALA MB 1 85 ARG H . . 3.820 2.726 2.405 2.923 . 0 0 "[ . 1 . 2]" 1
1414 1 84 ALA MB 1 85 ARG HB3 . . 5.170 5.188 5.070 5.428 0.258 20 0 "[ . 1 . 2]" 1
1415 1 84 ALA MB 1 85 ARG QD . . 5.500 4.159 2.929 4.913 . 0 0 "[ . 1 . 2]" 1
1416 1 85 ARG H 1 85 ARG HB2 . . 3.170 2.652 2.195 2.762 . 0 0 "[ . 1 . 2]" 1
1417 1 85 ARG H 1 86 GLU H . . 3.320 2.549 2.277 2.898 . 0 0 "[ . 1 . 2]" 1
1418 1 85 ARG HA 1 85 ARG QD . . 4.550 3.502 2.060 4.074 . 0 0 "[ . 1 . 2]" 1
1419 1 85 ARG HA 1 85 ARG QG . . 3.390 2.676 2.411 3.116 . 0 0 "[ . 1 . 2]" 1
1420 1 85 ARG HB3 1 85 ARG QG . . 2.780 2.437 2.164 2.525 . 0 0 "[ . 1 . 2]" 1
1421 1 86 GLU H 1 86 GLU HB2 . . 3.150 2.315 2.075 3.028 . 0 0 "[ . 1 . 2]" 1
1422 1 86 GLU H 1 86 GLU HB3 . . 3.680 3.323 2.305 3.624 . 0 0 "[ . 1 . 2]" 1
1423 1 86 GLU H 1 86 GLU HG3 . . 4.110 3.398 2.537 4.590 0.480 16 0 "[ . 1 . 2]" 1
1424 1 86 GLU H 1 87 GLU H . . 3.510 2.545 1.915 2.809 . 0 0 "[ . 1 . 2]" 1
1425 1 86 GLU HA 1 86 GLU HB3 . . 3.020 2.724 2.501 3.005 . 0 0 "[ . 1 . 2]" 1
1426 1 86 GLU HA 1 86 GLU HG2 . . 3.660 2.479 2.046 3.366 . 0 0 "[ . 1 . 2]" 1
1427 1 87 GLU H 1 87 GLU HB2 . . 3.490 2.719 2.065 3.751 0.261 8 0 "[ . 1 . 2]" 1
1428 1 87 GLU H 1 87 GLU QG . . 4.110 3.259 2.084 4.052 . 0 0 "[ . 1 . 2]" 1
1429 1 87 GLU HA 1 87 GLU QG . . 3.860 2.376 2.001 3.373 . 0 0 "[ . 1 . 2]" 1
1430 1 87 GLU HB3 1 87 GLU QG . . 2.540 2.405 2.129 2.523 . 0 0 "[ . 1 . 2]" 1
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