NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561076 |
2m4v   |
19023 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m4v
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 1263
_Distance_constraint_stats_list.Viol_count 5647
_Distance_constraint_stats_list.Viol_total 8770.332
_Distance_constraint_stats_list.Viol_max 0.621
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0444
_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 3 ALA 0.065 0.036 34 0 "[ . 1 . 2 . 3 .]"
1 4 ASP 0.579 0.089 30 0 "[ . 1 . 2 . 3 .]"
1 5 ARG 1.346 0.155 26 0 "[ . 1 . 2 . 3 .]"
1 6 VAL 2.454 0.155 26 0 "[ . 1 . 2 . 3 .]"
1 7 LEU 1.357 0.114 10 0 "[ . 1 . 2 . 3 .]"
1 8 ARG 0.355 0.254 32 0 "[ . 1 . 2 . 3 .]"
1 9 GLY 0.254 0.254 32 0 "[ . 1 . 2 . 3 .]"
1 11 ARG 0.160 0.079 3 0 "[ . 1 . 2 . 3 .]"
1 12 LEU 0.272 0.079 3 0 "[ . 1 . 2 . 3 .]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 14 ALA 0.072 0.034 11 0 "[ . 1 . 2 . 3 .]"
1 15 VAL 3.390 0.511 1 1 "[+ . 1 . 2 . 3 .]"
1 16 SER 1.973 0.158 33 0 "[ . 1 . 2 . 3 .]"
1 17 TYR 4.126 0.511 1 1 "[+ . 1 . 2 . 3 .]"
1 18 GLU 2.917 0.365 16 0 "[ . 1 . 2 . 3 .]"
1 19 THR 2.141 0.205 16 0 "[ . 1 . 2 . 3 .]"
1 20 ASP 1.108 0.206 35 0 "[ . 1 . 2 . 3 .]"
1 21 ARG 0.591 0.206 35 0 "[ . 1 . 2 . 3 .]"
1 24 ASP 1.409 0.123 8 0 "[ . 1 . 2 . 3 .]"
1 25 LEU 2.199 0.123 8 0 "[ . 1 . 2 . 3 .]"
1 26 ALA 1.371 0.103 27 0 "[ . 1 . 2 . 3 .]"
1 27 PRO 1.984 0.118 29 0 "[ . 1 . 2 . 3 .]"
1 28 ARG 5.437 0.118 29 0 "[ . 1 . 2 . 3 .]"
1 29 GLN 11.892 0.127 22 0 "[ . 1 . 2 . 3 .]"
1 30 ILE 11.576 0.160 6 0 "[ . 1 . 2 . 3 .]"
1 31 ALA 7.904 0.312 6 0 "[ . 1 . 2 . 3 .]"
1 32 ARG 8.826 0.471 10 0 "[ . 1 . 2 . 3 .]"
1 33 TYR 27.223 0.480 6 0 "[ . 1 . 2 . 3 .]"
1 34 ARG 10.740 0.318 6 0 "[ . 1 . 2 . 3 .]"
1 35 THR 52.076 0.621 35 9 "[ *. 1 . * 2 ** * * -* +]"
1 36 ASP 15.526 0.323 27 0 "[ . 1 . 2 . 3 .]"
1 37 ASN 24.284 0.454 23 0 "[ . 1 . 2 . 3 .]"
1 38 GLY 5.091 0.139 22 0 "[ . 1 . 2 . 3 .]"
1 39 GLU 8.827 0.112 35 0 "[ . 1 . 2 . 3 .]"
1 40 GLU 8.756 0.139 22 0 "[ . 1 . 2 . 3 .]"
1 41 PHE 17.631 0.142 35 0 "[ . 1 . 2 . 3 .]"
1 42 GLU 8.173 0.101 34 0 "[ . 1 . 2 . 3 .]"
1 43 VAL 5.917 0.095 17 0 "[ . 1 . 2 . 3 .]"
1 44 PRO 5.683 0.108 13 0 "[ . 1 . 2 . 3 .]"
1 45 PHE 11.273 0.160 6 0 "[ . 1 . 2 . 3 .]"
1 46 ALA 6.450 0.086 22 0 "[ . 1 . 2 . 3 .]"
1 47 ASP 2.104 0.155 9 0 "[ . 1 . 2 . 3 .]"
1 48 ASP 3.270 0.155 9 0 "[ . 1 . 2 . 3 .]"
1 49 ALA 2.888 0.069 29 0 "[ . 1 . 2 . 3 .]"
1 50 GLU 1.578 0.063 22 0 "[ . 1 . 2 . 3 .]"
1 51 ILE 28.329 0.203 12 0 "[ . 1 . 2 . 3 .]"
1 52 PRO 9.652 0.116 6 0 "[ . 1 . 2 . 3 .]"
1 53 GLY 1.728 0.070 21 0 "[ . 1 . 2 . 3 .]"
1 54 THR 13.943 0.203 12 0 "[ . 1 . 2 . 3 .]"
1 55 TRP 9.405 0.088 35 0 "[ . 1 . 2 . 3 .]"
1 56 LEU 5.176 0.086 7 0 "[ . 1 . 2 . 3 .]"
1 57 CYS 7.633 0.086 7 0 "[ . 1 . 2 . 3 .]"
1 58 ARG 1.848 0.091 18 0 "[ . 1 . 2 . 3 .]"
1 59 ASN 24.231 0.621 35 9 "[ *. 1 . * 2 ** * * -* +]"
1 60 GLY 3.506 0.088 4 0 "[ . 1 . 2 . 3 .]"
1 61 MET 6.710 0.061 1 0 "[ . 1 . 2 . 3 .]"
1 62 GLU 1.476 0.035 17 0 "[ . 1 . 2 . 3 .]"
1 63 GLY 5.248 0.072 11 0 "[ . 1 . 2 . 3 .]"
1 64 THR 8.003 0.096 6 0 "[ . 1 . 2 . 3 .]"
1 65 LEU 29.504 0.480 6 0 "[ . 1 . 2 . 3 .]"
1 66 ILE 12.164 0.150 21 0 "[ . 1 . 2 . 3 .]"
1 67 GLU 1.779 0.182 17 0 "[ . 1 . 2 . 3 .]"
1 68 GLY 1.234 0.153 5 0 "[ . 1 . 2 . 3 .]"
1 69 ASP 2.758 0.218 4 0 "[ . 1 . 2 . 3 .]"
1 70 LEU 3.898 0.218 4 0 "[ . 1 . 2 . 3 .]"
1 72 GLU 2.674 0.174 13 0 "[ . 1 . 2 . 3 .]"
1 73 PRO 2.634 0.113 14 0 "[ . 1 . 2 . 3 .]"
1 74 LYS 1.335 0.103 5 0 "[ . 1 . 2 . 3 .]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 76 VAL 1.202 0.348 24 0 "[ . 1 . 2 . 3 .]"
1 77 LYS 0.800 0.348 24 0 "[ . 1 . 2 . 3 .]"
1 80 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
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 3 ALA MB 1 4 ASP H . . 3.730 3.028 2.165 3.766 0.036 34 0 "[ . 1 . 2 . 3 .]" 1
2 1 4 ASP H 1 4 ASP QB . . 3.680 2.513 2.081 3.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
3 1 4 ASP HA 1 5 ARG H . . 3.480 2.886 2.157 3.562 0.082 17 0 "[ . 1 . 2 . 3 .]" 1
4 1 4 ASP QB 1 5 ARG H . . 4.240 3.387 2.454 4.063 . 0 0 "[ . 1 . 2 . 3 .]" 1
5 1 4 ASP HB2 1 5 ARG H . . 4.970 3.996 2.632 4.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
6 1 4 ASP HB3 1 5 ARG H . . 4.970 3.843 2.483 5.059 0.089 30 0 "[ . 1 . 2 . 3 .]" 1
7 1 5 ARG H 1 5 ARG QB . . 3.530 2.767 2.169 3.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
8 1 5 ARG H 1 5 ARG HD2 . . 5.500 4.712 3.175 5.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
9 1 5 ARG H 1 5 ARG HD3 . . 5.500 4.851 3.152 5.570 0.070 1 0 "[ . 1 . 2 . 3 .]" 1
10 1 5 ARG HA 1 6 VAL H . . 3.030 2.442 2.114 3.024 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 5 ARG QB 1 6 VAL H . . 3.770 2.966 2.148 3.925 0.155 26 0 "[ . 1 . 2 . 3 .]" 1
12 1 5 ARG HB2 1 6 VAL H . . 4.460 3.648 2.322 4.460 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 5 ARG HB3 1 6 VAL H . . 4.460 3.481 2.166 4.485 0.025 19 0 "[ . 1 . 2 . 3 .]" 1
14 1 6 VAL H 1 6 VAL HB . . 3.730 3.353 2.517 3.840 0.110 35 0 "[ . 1 . 2 . 3 .]" 1
15 1 6 VAL H 1 6 VAL QG . . 3.390 2.394 1.915 3.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
16 1 6 VAL H 1 7 LEU H . . 4.430 3.987 2.275 4.544 0.114 10 0 "[ . 1 . 2 . 3 .]" 1
17 1 6 VAL HA 1 7 LEU H . . 2.970 2.391 2.001 2.991 0.021 29 0 "[ . 1 . 2 . 3 .]" 1
18 1 6 VAL HB 1 7 LEU H . . 4.490 3.697 2.302 4.509 0.019 5 0 "[ . 1 . 2 . 3 .]" 1
19 1 6 VAL QG 1 7 LEU H . . 4.430 3.048 1.751 3.857 . 0 0 "[ . 1 . 2 . 3 .]" 1
20 1 7 LEU H 1 7 LEU QD . . 4.840 2.901 1.766 3.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
21 1 7 LEU H 1 7 LEU HG . . 3.270 2.764 2.237 3.339 0.069 24 0 "[ . 1 . 2 . 3 .]" 1
22 1 7 LEU HA 1 7 LEU QD . . 3.950 2.370 2.126 3.450 . 0 0 "[ . 1 . 2 . 3 .]" 1
23 1 7 LEU QB 1 8 ARG H . . 4.230 3.244 2.103 4.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
24 1 7 LEU HB2 1 8 ARG H . . 4.870 3.889 2.586 4.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
25 1 7 LEU HB3 1 8 ARG H . . 4.870 3.717 2.130 4.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
26 1 8 ARG HA 1 8 ARG HD2 . . 5.500 4.447 2.800 5.510 0.010 10 0 "[ . 1 . 2 . 3 .]" 1
27 1 8 ARG HA 1 8 ARG QD . . 4.710 3.873 2.173 4.522 . 0 0 "[ . 1 . 2 . 3 .]" 1
28 1 8 ARG HA 1 8 ARG HD3 . . 5.500 4.365 2.216 5.549 0.049 35 0 "[ . 1 . 2 . 3 .]" 1
29 1 8 ARG HA 1 9 GLY H . . 3.160 2.379 2.135 3.414 0.254 32 0 "[ . 1 . 2 . 3 .]" 1
30 1 11 ARG HA 1 12 LEU H . . 3.550 2.909 2.114 3.629 0.079 3 0 "[ . 1 . 2 . 3 .]" 1
31 1 11 ARG QB 1 12 LEU H . . 4.220 3.547 2.321 4.280 0.060 3 0 "[ . 1 . 2 . 3 .]" 1
32 1 12 LEU H 1 12 LEU HB2 . . 3.980 2.824 2.314 3.971 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 12 LEU H 1 12 LEU QB . . 3.290 2.531 2.139 3.342 0.052 21 0 "[ . 1 . 2 . 3 .]" 1
34 1 12 LEU H 1 12 LEU HB3 . . 3.980 3.166 2.384 4.016 0.036 22 0 "[ . 1 . 2 . 3 .]" 1
35 1 12 LEU H 1 12 LEU QD . . 5.140 3.336 2.197 4.206 . 0 0 "[ . 1 . 2 . 3 .]" 1
36 1 12 LEU HB2 1 13 GLY H . . 5.190 4.003 2.326 4.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
37 1 12 LEU HB3 1 13 GLY H . . 5.190 3.657 2.352 4.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 14 ALA HA 1 15 VAL H . . 2.850 2.494 2.119 2.884 0.034 11 0 "[ . 1 . 2 . 3 .]" 1
39 1 14 ALA MB 1 15 VAL H . . 4.110 2.863 2.013 3.767 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 15 VAL H 1 15 VAL HB . . 3.750 3.432 2.549 3.853 0.103 7 0 "[ . 1 . 2 . 3 .]" 1
41 1 15 VAL H 1 15 VAL QG . . 3.360 2.227 1.908 3.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
42 1 15 VAL HA 1 16 SER HA . . 4.830 4.137 2.164 4.837 0.007 23 0 "[ . 1 . 2 . 3 .]" 1
43 1 15 VAL HA 1 16 SER HB2 . . 5.500 4.666 3.950 5.658 0.158 33 0 "[ . 1 . 2 . 3 .]" 1
44 1 15 VAL HA 1 16 SER HB3 . . 5.500 5.116 4.301 5.631 0.131 31 0 "[ . 1 . 2 . 3 .]" 1
45 1 15 VAL HB 1 17 TYR QE . . 5.220 4.453 2.661 5.248 0.028 11 0 "[ . 1 . 2 . 3 .]" 1
46 1 15 VAL QG 1 17 TYR QD . . 4.750 3.284 2.236 5.261 0.511 1 1 "[+ . 1 . 2 . 3 .]" 1
47 1 15 VAL QG 1 17 TYR QE . . 4.330 3.068 2.235 4.831 0.501 1 1 "[+ . 1 . 2 . 3 .]" 1
48 1 15 VAL MG1 1 16 SER H . . 5.500 3.676 2.257 4.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 15 VAL MG1 1 17 TYR QE . . 5.410 3.910 2.544 5.422 0.012 1 0 "[ . 1 . 2 . 3 .]" 1
50 1 15 VAL MG2 1 16 SER H . . 5.500 3.740 2.274 4.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
51 1 15 VAL MG2 1 17 TYR QE . . 5.410 4.073 2.240 5.428 0.018 3 0 "[ . 1 . 2 . 3 .]" 1
52 1 16 SER HA 1 17 TYR H . . 3.400 2.555 2.114 3.523 0.123 24 0 "[ . 1 . 2 . 3 .]" 1
53 1 16 SER HA 1 17 TYR QD . . 4.570 3.856 2.994 4.590 0.020 23 0 "[ . 1 . 2 . 3 .]" 1
54 1 16 SER HA 1 17 TYR QE . . 5.500 4.993 3.699 5.562 0.062 24 0 "[ . 1 . 2 . 3 .]" 1
55 1 16 SER HB2 1 17 TYR H . . 5.490 3.983 2.237 4.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
56 1 16 SER HB3 1 17 TYR H . . 5.490 3.799 2.378 4.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
57 1 17 TYR H 1 17 TYR QB . . 3.630 3.120 2.140 3.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
58 1 17 TYR H 1 17 TYR QD . . 4.680 3.093 1.749 3.827 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 17 TYR H 1 18 GLU H . . 4.750 3.802 1.880 4.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 17 TYR HA 1 17 TYR QD . . 3.950 3.654 2.234 3.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 17 TYR HA 1 18 GLU H . . 3.290 2.713 2.038 3.655 0.365 16 0 "[ . 1 . 2 . 3 .]" 1
62 1 17 TYR HA 1 19 THR H . . 5.500 4.784 2.719 5.569 0.069 7 0 "[ . 1 . 2 . 3 .]" 1
63 1 17 TYR QB 1 18 GLU H . . 3.850 2.798 1.873 3.923 0.073 26 0 "[ . 1 . 2 . 3 .]" 1
64 1 17 TYR HB2 1 18 GLU H . . 4.410 3.003 1.881 4.442 0.032 31 0 "[ . 1 . 2 . 3 .]" 1
65 1 17 TYR HB3 1 18 GLU H . . 4.410 3.806 2.825 4.497 0.087 16 0 "[ . 1 . 2 . 3 .]" 1
66 1 17 TYR QD 1 18 GLU HA . . 4.890 4.600 3.573 4.973 0.083 24 0 "[ . 1 . 2 . 3 .]" 1
67 1 17 TYR QD 1 19 THR H . . 5.000 3.384 1.983 4.732 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 17 TYR QD 1 19 THR HA . . 5.120 3.609 2.313 5.154 0.034 28 0 "[ . 1 . 2 . 3 .]" 1
69 1 17 TYR QE 1 19 THR HA . . 4.880 3.764 2.317 4.921 0.041 20 0 "[ . 1 . 2 . 3 .]" 1
70 1 17 TYR QE 1 19 THR MG . . 4.690 3.545 2.375 4.711 0.021 16 0 "[ . 1 . 2 . 3 .]" 1
71 1 18 GLU H 1 18 GLU HB2 . . 4.000 3.005 2.320 3.892 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 18 GLU H 1 18 GLU QB . . 3.390 2.574 2.202 3.303 . 0 0 "[ . 1 . 2 . 3 .]" 1
73 1 18 GLU H 1 18 GLU HB3 . . 4.000 3.109 2.454 3.968 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 18 GLU H 1 18 GLU HG2 . . 5.310 3.665 1.893 4.806 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 18 GLU H 1 18 GLU QG . . 4.440 3.081 1.875 4.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
76 1 18 GLU H 1 18 GLU HG3 . . 5.310 3.592 2.168 4.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 18 GLU HA 1 19 THR H . . 3.210 2.741 2.095 3.415 0.205 16 0 "[ . 1 . 2 . 3 .]" 1
78 1 18 GLU QB 1 19 THR H . . 4.150 3.698 2.389 4.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 18 GLU HB2 1 19 THR H . . 4.950 4.170 2.445 4.633 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 18 GLU HB3 1 19 THR H . . 4.950 4.242 2.582 4.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
81 1 18 GLU HG2 1 19 THR H . . 5.500 4.650 3.359 5.548 0.048 22 0 "[ . 1 . 2 . 3 .]" 1
82 1 18 GLU HG3 1 19 THR H . . 5.500 4.527 3.421 5.219 . 0 0 "[ . 1 . 2 . 3 .]" 1
83 1 19 THR H 1 19 THR MG . . 4.220 3.321 2.103 4.007 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 19 THR H 1 20 ASP H . . 4.720 3.597 2.551 4.743 0.023 23 0 "[ . 1 . 2 . 3 .]" 1
85 1 19 THR H 1 20 ASP HA . . 5.500 5.196 2.929 5.553 0.053 24 0 "[ . 1 . 2 . 3 .]" 1
86 1 19 THR HA 1 19 THR MG . . 3.430 2.427 2.223 3.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 19 THR HA 1 20 ASP H . . 3.320 2.680 2.162 3.480 0.160 23 0 "[ . 1 . 2 . 3 .]" 1
88 1 19 THR MG 1 20 ASP H . . 4.630 3.783 2.520 4.425 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 20 ASP H 1 20 ASP HB2 . . 4.190 3.046 2.385 3.762 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 20 ASP H 1 20 ASP QB . . 3.590 2.505 2.186 2.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 20 ASP H 1 20 ASP HB3 . . 4.190 2.797 2.350 3.732 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 20 ASP HA 1 21 ARG H . . 3.260 2.511 2.117 3.466 0.206 35 0 "[ . 1 . 2 . 3 .]" 1
93 1 20 ASP HB2 1 21 ARG H . . 5.300 4.212 3.839 5.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
94 1 20 ASP HB3 1 21 ARG H . . 5.300 4.089 2.675 5.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
95 1 21 ARG H 1 21 ARG QB . . 3.450 2.572 2.172 3.308 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 21 ARG H 1 21 ARG HG2 . . 5.150 3.679 2.083 4.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
97 1 21 ARG H 1 21 ARG QG . . 4.330 3.166 2.000 4.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 21 ARG H 1 21 ARG HG3 . . 5.150 3.730 2.016 5.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
99 1 21 ARG QB 1 21 ARG QG . . 2.290 2.094 1.992 2.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 24 ASP H 1 25 LEU H . . 4.780 4.522 4.320 4.712 . 0 0 "[ . 1 . 2 . 3 .]" 1
101 1 24 ASP HA 1 25 LEU H . . 2.800 2.400 2.161 2.809 0.009 27 0 "[ . 1 . 2 . 3 .]" 1
102 1 24 ASP HA 1 25 LEU HA . . 4.510 4.460 4.245 4.554 0.044 23 0 "[ . 1 . 2 . 3 .]" 1
103 1 24 ASP HA 1 25 LEU QB . . 5.320 4.434 4.104 4.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 24 ASP HA 1 25 LEU HG . . 5.500 4.098 3.422 5.516 0.016 22 0 "[ . 1 . 2 . 3 .]" 1
105 1 24 ASP QB 1 26 ALA H . . 5.340 4.989 3.093 5.373 0.033 5 0 "[ . 1 . 2 . 3 .]" 1
106 1 24 ASP HB2 1 25 LEU H . . 3.840 3.502 2.305 3.963 0.123 8 0 "[ . 1 . 2 . 3 .]" 1
107 1 24 ASP HB3 1 25 LEU H . . 3.840 2.981 1.927 3.877 0.037 35 0 "[ . 1 . 2 . 3 .]" 1
108 1 25 LEU H 1 25 LEU QB . . 2.710 2.552 2.290 2.752 0.042 12 0 "[ . 1 . 2 . 3 .]" 1
109 1 25 LEU H 1 26 ALA MB . . 4.720 4.597 3.927 4.772 0.052 11 0 "[ . 1 . 2 . 3 .]" 1
110 1 25 LEU HA 1 25 LEU QD . . 3.610 2.342 2.103 3.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
111 1 25 LEU HA 1 25 LEU HG . . 3.720 3.107 2.413 3.805 0.085 22 0 "[ . 1 . 2 . 3 .]" 1
112 1 25 LEU HA 1 26 ALA H . . 2.630 2.217 2.059 2.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 25 LEU QB 1 26 ALA H . . 3.790 3.176 2.488 3.869 0.079 27 0 "[ . 1 . 2 . 3 .]" 1
114 1 25 LEU QD 1 26 ALA H . . 4.550 3.662 3.217 4.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 26 ALA H 1 26 ALA MB . . 3.010 2.642 2.251 2.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
116 1 26 ALA H 1 27 PRO HA . . 5.500 5.002 3.906 5.527 0.027 8 0 "[ . 1 . 2 . 3 .]" 1
117 1 26 ALA H 1 27 PRO QD . . 4.520 3.929 2.348 4.623 0.103 27 0 "[ . 1 . 2 . 3 .]" 1
118 1 26 ALA HA 1 27 PRO QD . . 2.970 2.168 1.970 2.984 0.014 27 0 "[ . 1 . 2 . 3 .]" 1
119 1 26 ALA HA 1 27 PRO HG2 . . 5.500 4.622 4.105 4.884 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 26 ALA HA 1 27 PRO QG . . 4.780 3.993 2.992 4.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
121 1 26 ALA HA 1 27 PRO HG3 . . 5.500 4.429 3.035 5.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
122 1 26 ALA MB 1 27 PRO QD . . 3.790 2.689 2.096 3.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
123 1 27 PRO HA 1 28 ARG H . . 2.700 2.243 2.031 2.818 0.118 29 0 "[ . 1 . 2 . 3 .]" 1
124 1 27 PRO HB2 1 47 ASP H . . 4.470 3.916 3.259 4.538 0.068 29 0 "[ . 1 . 2 . 3 .]" 1
125 1 27 PRO QD 1 28 ARG H . . 4.700 4.627 4.193 4.813 0.113 32 0 "[ . 1 . 2 . 3 .]" 1
126 1 28 ARG H 1 28 ARG HB2 . . 4.120 3.910 3.593 3.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 28 ARG H 1 28 ARG HB3 . . 3.170 3.162 2.376 3.240 0.070 26 0 "[ . 1 . 2 . 3 .]" 1
128 1 28 ARG H 1 28 ARG HG2 . . 3.180 2.436 2.009 2.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 28 ARG H 1 29 GLN HE21 . . 5.460 5.360 5.080 5.469 0.009 8 0 "[ . 1 . 2 . 3 .]" 1
130 1 28 ARG HA 1 28 ARG HD2 . . 5.500 5.030 4.674 5.534 0.034 4 0 "[ . 1 . 2 . 3 .]" 1
131 1 28 ARG HA 1 28 ARG HD3 . . 5.500 4.748 4.646 4.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 28 ARG HA 1 28 ARG HG2 . . 4.160 3.782 3.682 3.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
133 1 28 ARG HA 1 29 GLN H . . 2.660 2.338 2.204 2.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 28 ARG HA 1 29 GLN HB2 . . 4.810 4.488 4.194 4.742 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 28 ARG HA 1 29 GLN HE21 . . 4.170 2.776 2.492 2.875 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 28 ARG HA 1 29 GLN HE22 . . 4.200 3.966 3.711 4.095 . 0 0 "[ . 1 . 2 . 3 .]" 1
137 1 28 ARG HA 1 46 ALA HA . . 4.010 2.553 2.319 2.965 . 0 0 "[ . 1 . 2 . 3 .]" 1
138 1 28 ARG HA 1 46 ALA MB . . 5.210 4.183 3.956 4.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 28 ARG HA 1 47 ASP H . . 3.580 3.124 2.770 3.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
140 1 28 ARG HB2 1 29 GLN H . . 3.330 2.328 2.235 2.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
141 1 28 ARG HB2 1 29 GLN HE22 . . 5.500 5.538 5.516 5.561 0.061 6 0 "[ . 1 . 2 . 3 .]" 1
142 1 28 ARG HB2 1 44 PRO HA . . 5.320 4.459 4.226 4.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
143 1 28 ARG HB2 1 45 PHE H . . 4.160 3.858 3.499 4.172 0.012 29 0 "[ . 1 . 2 . 3 .]" 1
144 1 28 ARG HB2 1 47 ASP H . . 5.180 4.948 4.435 5.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
145 1 28 ARG HB3 1 46 ALA HA . . 4.750 3.094 2.655 3.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 28 ARG QD 1 46 ALA HA . . 5.340 4.872 4.160 5.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
147 1 28 ARG HG3 1 29 GLN H . . 3.830 3.505 3.231 3.797 . 0 0 "[ . 1 . 2 . 3 .]" 1
148 1 28 ARG HG3 1 29 GLN HA . . 5.030 4.274 3.600 4.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
149 1 28 ARG HG3 1 30 ILE H . . 4.480 4.186 3.856 4.498 0.018 30 0 "[ . 1 . 2 . 3 .]" 1
150 1 28 ARG HG3 1 46 ALA HA . . 5.500 5.517 5.267 5.546 0.046 16 0 "[ . 1 . 2 . 3 .]" 1
151 1 29 GLN H 1 29 GLN HB2 . . 3.110 2.753 2.620 2.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
152 1 29 GLN H 1 29 GLN HE21 . . 4.400 2.226 2.086 2.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
153 1 29 GLN H 1 29 GLN HG3 . . 3.430 3.255 3.083 3.471 0.041 6 0 "[ . 1 . 2 . 3 .]" 1
154 1 29 GLN H 1 30 ILE H . . 4.110 3.964 3.861 4.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
155 1 29 GLN H 1 30 ILE MD . . 4.710 3.502 3.216 3.801 . 0 0 "[ . 1 . 2 . 3 .]" 1
156 1 29 GLN H 1 44 PRO HA . . 4.820 4.263 4.040 4.579 . 0 0 "[ . 1 . 2 . 3 .]" 1
157 1 29 GLN H 1 45 PHE H . . 3.390 2.932 2.841 3.107 . 0 0 "[ . 1 . 2 . 3 .]" 1
158 1 29 GLN H 1 45 PHE HB2 . . 4.560 3.490 3.353 3.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
159 1 29 GLN H 1 45 PHE HB3 . . 4.510 4.316 4.185 4.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
160 1 29 GLN H 1 46 ALA HA . . 3.870 3.796 3.615 3.891 0.021 29 0 "[ . 1 . 2 . 3 .]" 1
161 1 29 GLN H 1 47 ASP HA . . 5.500 5.460 5.162 5.524 0.024 4 0 "[ . 1 . 2 . 3 .]" 1
162 1 29 GLN HA 1 29 GLN HG3 . . 3.870 2.723 2.690 2.761 . 0 0 "[ . 1 . 2 . 3 .]" 1
163 1 29 GLN HA 1 30 ILE H . . 2.490 2.195 2.111 2.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 29 GLN HA 1 30 ILE MD . . 4.150 3.783 3.308 4.181 0.031 30 0 "[ . 1 . 2 . 3 .]" 1
165 1 29 GLN HB2 1 29 GLN HE21 . . 3.500 2.241 2.146 2.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 29 GLN HB2 1 29 GLN HE22 . . 3.700 3.336 3.293 3.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
167 1 29 GLN HB2 1 30 ILE HA . . 5.490 4.912 4.677 4.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
168 1 29 GLN HB2 1 31 ALA H . . 5.250 4.940 4.632 5.110 . 0 0 "[ . 1 . 2 . 3 .]" 1
169 1 29 GLN HB2 1 45 PHE H . . 4.010 3.476 3.364 3.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
170 1 29 GLN HB2 1 45 PHE HB2 . . 4.790 2.314 2.255 2.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
171 1 29 GLN HB2 1 45 PHE HB3 . . 4.500 3.460 3.388 3.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
172 1 29 GLN HB2 1 45 PHE QD . . 4.330 4.070 3.935 4.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
173 1 29 GLN HB2 1 46 ALA H . . 5.500 5.565 5.548 5.585 0.085 24 0 "[ . 1 . 2 . 3 .]" 1
174 1 29 GLN HB2 1 49 ALA MB . . 5.500 5.516 5.477 5.525 0.025 19 0 "[ . 1 . 2 . 3 .]" 1
175 1 29 GLN HB2 1 51 ILE MD . . 3.970 2.297 2.187 2.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 29 GLN HB3 1 29 GLN HG2 . . 2.950 2.248 2.234 2.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 29 GLN HB3 1 30 ILE H . . 3.910 3.768 3.459 3.927 0.017 4 0 "[ . 1 . 2 . 3 .]" 1
178 1 29 GLN HB3 1 30 ILE HA . . 5.500 5.005 4.803 5.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
179 1 29 GLN HB3 1 31 ALA H . . 5.500 4.923 4.642 5.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
180 1 29 GLN HB3 1 51 ILE MD . . 4.590 2.540 2.352 2.900 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 29 GLN HE21 1 29 GLN HG3 . . 3.040 2.690 2.634 2.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
182 1 29 GLN HE21 1 30 ILE H . . 5.500 5.592 5.505 5.627 0.127 22 0 "[ . 1 . 2 . 3 .]" 1
183 1 29 GLN HE21 1 45 PHE HB2 . . 4.100 3.019 2.805 3.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
184 1 29 GLN HE21 1 45 PHE HB3 . . 4.030 3.151 2.988 3.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 29 GLN HE21 1 46 ALA HA . . 4.800 3.600 3.486 3.921 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 29 GLN HE21 1 47 ASP H . . 4.670 4.200 4.051 4.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
187 1 29 GLN HE21 1 47 ASP HA . . 4.000 3.687 3.378 4.019 0.019 7 0 "[ . 1 . 2 . 3 .]" 1
188 1 29 GLN HE21 1 47 ASP QB . . 5.340 4.761 4.486 5.318 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 29 GLN HE21 1 51 ILE MD . . 4.030 3.951 3.846 4.032 0.002 22 0 "[ . 1 . 2 . 3 .]" 1
190 1 29 GLN HE22 1 29 GLN HG3 . . 3.730 3.684 3.658 3.738 0.008 4 0 "[ . 1 . 2 . 3 .]" 1
191 1 29 GLN HE22 1 45 PHE HB2 . . 4.260 3.643 3.476 3.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
192 1 29 GLN HE22 1 45 PHE HB3 . . 4.430 2.972 2.853 3.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 29 GLN HE22 1 46 ALA H . . 4.850 4.069 3.866 4.337 . 0 0 "[ . 1 . 2 . 3 .]" 1
194 1 29 GLN HE22 1 47 ASP HA . . 3.660 2.764 2.515 3.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
195 1 29 GLN HE22 1 47 ASP QB . . 5.170 4.498 4.288 5.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
196 1 29 GLN HE22 1 48 ASP H . . 4.790 4.649 4.476 4.824 0.034 29 0 "[ . 1 . 2 . 3 .]" 1
197 1 29 GLN HE22 1 49 ALA H . . 3.690 3.426 3.287 3.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
198 1 29 GLN HE22 1 49 ALA MB . . 3.950 3.614 3.439 3.787 . 0 0 "[ . 1 . 2 . 3 .]" 1
199 1 29 GLN HE22 1 51 ILE MD . . 4.320 4.193 4.017 4.322 0.002 22 0 "[ . 1 . 2 . 3 .]" 1
200 1 29 GLN HE22 1 51 ILE HG12 . . 5.500 5.540 5.517 5.560 0.060 7 0 "[ . 1 . 2 . 3 .]" 1
201 1 29 GLN HG2 1 45 PHE HB2 . . 5.500 5.080 4.932 5.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
202 1 29 GLN HG2 1 51 ILE MD . . 4.480 3.937 3.547 4.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 29 GLN HG3 1 30 ILE H . . 4.930 4.880 4.787 4.946 0.016 28 0 "[ . 1 . 2 . 3 .]" 1
204 1 29 GLN HG3 1 45 PHE HB2 . . 5.500 4.950 4.878 5.081 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 29 GLN HG3 1 45 PHE HB3 . . 5.500 5.566 5.538 5.586 0.086 4 0 "[ . 1 . 2 . 3 .]" 1
206 1 29 GLN HG3 1 47 ASP HA . . 4.750 4.419 4.038 4.782 0.032 7 0 "[ . 1 . 2 . 3 .]" 1
207 1 29 GLN HG3 1 51 ILE MD . . 5.500 4.608 4.400 4.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
208 1 30 ILE H 1 30 ILE HB . . 2.910 2.586 2.394 2.819 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 30 ILE H 1 30 ILE MD . . 3.480 2.624 2.084 3.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
210 1 30 ILE H 1 30 ILE HG12 . . 4.030 3.070 2.226 3.916 . 0 0 "[ . 1 . 2 . 3 .]" 1
211 1 30 ILE H 1 30 ILE QG . . 3.270 2.834 2.210 3.393 0.123 28 0 "[ . 1 . 2 . 3 .]" 1
212 1 30 ILE H 1 30 ILE HG13 . . 4.030 3.794 3.646 4.034 0.004 6 0 "[ . 1 . 2 . 3 .]" 1
213 1 30 ILE H 1 31 ALA H . . 4.260 4.299 4.199 4.332 0.072 7 0 "[ . 1 . 2 . 3 .]" 1
214 1 30 ILE H 1 44 PRO HA . . 4.750 4.403 4.103 4.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
215 1 30 ILE H 1 45 PHE H . . 4.530 4.559 4.411 4.690 0.160 6 0 "[ . 1 . 2 . 3 .]" 1
216 1 30 ILE H 1 51 ILE MD . . 5.170 4.989 4.808 5.163 . 0 0 "[ . 1 . 2 . 3 .]" 1
217 1 30 ILE HA 1 30 ILE MD . . 3.570 2.623 2.289 3.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
218 1 30 ILE HA 1 30 ILE MG . . 3.220 2.330 2.205 2.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
219 1 30 ILE HA 1 31 ALA H . . 2.620 2.151 2.076 2.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 30 ILE HA 1 31 ALA MB . . 4.790 4.099 4.047 4.156 . 0 0 "[ . 1 . 2 . 3 .]" 1
221 1 30 ILE HA 1 43 VAL H . . 5.380 4.443 4.296 4.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
222 1 30 ILE HA 1 44 PRO HA . . 2.900 2.208 2.105 2.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
223 1 30 ILE HA 1 44 PRO HB2 . . 4.980 4.936 4.670 5.088 0.108 13 0 "[ . 1 . 2 . 3 .]" 1
224 1 30 ILE HA 1 44 PRO QB . . 4.340 3.760 3.517 3.912 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 30 ILE HA 1 44 PRO HB3 . . 4.980 3.899 3.634 4.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
226 1 30 ILE HA 1 45 PHE H . . 3.340 3.250 3.049 3.354 0.014 8 0 "[ . 1 . 2 . 3 .]" 1
227 1 30 ILE HA 1 45 PHE QD . . 4.570 4.121 3.846 4.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
228 1 30 ILE HB 1 31 ALA H . . 4.440 4.410 4.333 4.465 0.025 29 0 "[ . 1 . 2 . 3 .]" 1
229 1 30 ILE HB 1 44 PRO HA . . 5.210 4.877 4.586 5.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
230 1 30 ILE MD 1 44 PRO HA . . 3.840 2.550 2.192 3.098 . 0 0 "[ . 1 . 2 . 3 .]" 1
231 1 30 ILE MD 1 44 PRO HB2 . . 4.960 3.515 3.119 4.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 30 ILE MD 1 44 PRO QB . . 4.140 2.344 2.059 2.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 30 ILE MD 1 44 PRO HB3 . . 4.960 2.394 2.088 3.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
234 1 30 ILE MD 1 45 PHE QD . . 5.500 5.344 5.075 5.535 0.035 4 0 "[ . 1 . 2 . 3 .]" 1
235 1 30 ILE QG 1 31 ALA H . . 5.340 4.687 4.285 5.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
236 1 30 ILE QG 1 44 PRO HA . . 4.180 3.484 2.389 4.209 0.029 30 0 "[ . 1 . 2 . 3 .]" 1
237 1 30 ILE QG 1 45 PHE H . . 5.100 4.795 4.027 5.120 0.020 9 0 "[ . 1 . 2 . 3 .]" 1
238 1 30 ILE HG12 1 44 PRO HA . . 4.890 4.511 4.148 4.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
239 1 30 ILE HG13 1 44 PRO HA . . 4.890 3.845 2.404 4.905 0.015 18 0 "[ . 1 . 2 . 3 .]" 1
240 1 30 ILE MG 1 31 ALA H . . 3.190 3.184 3.121 3.225 0.035 10 0 "[ . 1 . 2 . 3 .]" 1
241 1 30 ILE MG 1 31 ALA HA . . 4.480 3.952 3.721 4.303 . 0 0 "[ . 1 . 2 . 3 .]" 1
242 1 30 ILE MG 1 32 ARG QD . . 4.720 4.551 3.910 4.751 0.031 28 0 "[ . 1 . 2 . 3 .]" 1
243 1 30 ILE MG 1 32 ARG HG3 . . 4.090 3.598 3.224 3.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
244 1 30 ILE MG 1 42 GLU H . . 5.500 5.404 5.123 5.519 0.019 14 0 "[ . 1 . 2 . 3 .]" 1
245 1 30 ILE MG 1 42 GLU HA . . 3.880 3.743 3.544 3.890 0.010 9 0 "[ . 1 . 2 . 3 .]" 1
246 1 30 ILE MG 1 42 GLU HB2 . . 3.940 3.485 3.145 3.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 30 ILE MG 1 42 GLU HB3 . . 3.570 2.343 2.165 2.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
248 1 30 ILE MG 1 42 GLU HG2 . . 4.030 3.293 2.917 3.628 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 30 ILE MG 1 42 GLU HG3 . . 4.580 4.185 3.821 4.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
250 1 30 ILE MG 1 43 VAL H . . 3.860 3.416 3.198 3.549 . 0 0 "[ . 1 . 2 . 3 .]" 1
251 1 30 ILE MG 1 43 VAL HA . . 5.130 4.642 4.164 4.891 . 0 0 "[ . 1 . 2 . 3 .]" 1
252 1 30 ILE MG 1 43 VAL HB . . 5.500 5.211 4.886 5.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
253 1 30 ILE MG 1 44 PRO HA . . 3.650 3.376 2.809 3.676 0.026 16 0 "[ . 1 . 2 . 3 .]" 1
254 1 30 ILE MG 1 44 PRO QB . . 4.570 3.829 3.528 4.287 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 30 ILE MG 1 45 PHE QD . . 5.500 5.362 5.163 5.505 0.005 34 0 "[ . 1 . 2 . 3 .]" 1
256 1 31 ALA H 1 31 ALA MB . . 3.030 2.312 2.279 2.367 . 0 0 "[ . 1 . 2 . 3 .]" 1
257 1 31 ALA H 1 32 ARG H . . 4.540 4.547 4.533 4.565 0.025 7 0 "[ . 1 . 2 . 3 .]" 1
258 1 31 ALA H 1 43 VAL H . . 3.930 3.509 3.443 3.619 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 31 ALA H 1 43 VAL HB . . 4.410 3.924 3.775 4.025 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 31 ALA H 1 43 VAL MG1 . . 4.820 4.530 4.433 4.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 31 ALA H 1 44 PRO HA . . 3.600 3.487 3.382 3.614 0.014 30 0 "[ . 1 . 2 . 3 .]" 1
262 1 31 ALA H 1 45 PHE QD . . 3.700 3.053 2.914 3.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
263 1 31 ALA H 1 45 PHE QE . . 4.380 4.224 3.986 4.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 31 ALA H 1 51 ILE MD . . 4.930 3.420 3.309 3.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 31 ALA H 1 51 ILE HG13 . . 5.500 5.318 5.191 5.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 31 ALA H 1 51 ILE MG . . 4.520 4.564 4.537 4.591 0.071 14 0 "[ . 1 . 2 . 3 .]" 1
267 1 31 ALA HA 1 32 ARG H . . 2.620 2.331 2.166 2.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 31 ALA HA 1 33 TYR QE . . 5.200 5.014 4.877 5.216 0.016 6 0 "[ . 1 . 2 . 3 .]" 1
269 1 31 ALA HA 1 43 VAL H . . 5.500 4.867 4.792 4.936 . 0 0 "[ . 1 . 2 . 3 .]" 1
270 1 31 ALA HA 1 51 ILE MD . . 4.820 4.203 4.124 4.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 31 ALA HA 1 51 ILE MG . . 4.670 4.262 4.158 4.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 31 ALA HA 1 65 LEU QD . . 4.380 3.974 3.368 4.610 0.230 6 0 "[ . 1 . 2 . 3 .]" 1
273 1 31 ALA MB 1 32 ARG H . . 3.190 2.521 2.336 2.853 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 31 ALA MB 1 32 ARG HA . . 5.410 4.112 4.006 4.294 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 31 ALA MB 1 33 TYR QD . . 4.020 3.666 3.520 3.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
276 1 31 ALA MB 1 33 TYR QE . . 3.080 2.369 2.242 2.571 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 31 ALA MB 1 43 VAL H . . 4.320 3.814 3.679 4.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
278 1 31 ALA MB 1 43 VAL HB . . 4.210 3.245 3.133 3.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 31 ALA MB 1 43 VAL MG1 . . 5.020 4.143 4.044 4.288 . 0 0 "[ . 1 . 2 . 3 .]" 1
280 1 31 ALA MB 1 43 VAL MG2 . . 4.840 4.245 4.098 4.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
281 1 31 ALA MB 1 44 PRO HA . . 5.200 5.016 4.895 5.163 . 0 0 "[ . 1 . 2 . 3 .]" 1
282 1 31 ALA MB 1 45 PHE QD . . 2.960 2.914 2.742 2.979 0.019 17 0 "[ . 1 . 2 . 3 .]" 1
283 1 31 ALA MB 1 45 PHE QE . . 2.900 2.814 2.689 2.904 0.004 19 0 "[ . 1 . 2 . 3 .]" 1
284 1 31 ALA MB 1 45 PHE HZ . . 4.940 4.772 4.693 4.871 . 0 0 "[ . 1 . 2 . 3 .]" 1
285 1 31 ALA MB 1 51 ILE H . . 5.300 5.218 4.973 5.355 0.055 18 0 "[ . 1 . 2 . 3 .]" 1
286 1 31 ALA MB 1 51 ILE HB . . 5.020 4.099 3.987 4.249 . 0 0 "[ . 1 . 2 . 3 .]" 1
287 1 31 ALA MB 1 51 ILE MD . . 3.480 2.081 1.987 2.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 31 ALA MB 1 51 ILE HG13 . . 5.500 2.726 2.566 2.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
289 1 31 ALA MB 1 51 ILE MG . . 2.840 2.135 2.064 2.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 31 ALA MB 1 52 PRO QD . . 5.350 4.609 4.474 4.777 . 0 0 "[ . 1 . 2 . 3 .]" 1
291 1 31 ALA MB 1 65 LEU HA . . 5.110 4.375 4.177 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 31 ALA MB 1 65 LEU HB2 . . 5.310 4.672 4.500 5.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
293 1 31 ALA MB 1 65 LEU MD1 . . 3.930 2.984 1.932 3.926 . 0 0 "[ . 1 . 2 . 3 .]" 1
294 1 31 ALA MB 1 65 LEU QD . . 2.940 2.611 1.925 3.252 0.312 6 0 "[ . 1 . 2 . 3 .]" 1
295 1 31 ALA MB 1 65 LEU MD2 . . 3.930 3.430 3.177 3.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
296 1 31 ALA MB 1 65 LEU HG . . 4.040 3.390 2.811 4.127 0.087 14 0 "[ . 1 . 2 . 3 .]" 1
297 1 32 ARG H 1 32 ARG HB2 . . 2.920 2.508 2.336 2.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
298 1 32 ARG H 1 32 ARG HD2 . . 5.500 5.042 3.827 5.515 0.015 26 0 "[ . 1 . 2 . 3 .]" 1
299 1 32 ARG H 1 32 ARG HD3 . . 5.500 5.007 4.167 5.546 0.046 11 0 "[ . 1 . 2 . 3 .]" 1
300 1 32 ARG H 1 33 TYR H . . 4.640 4.491 4.412 4.619 . 0 0 "[ . 1 . 2 . 3 .]" 1
301 1 32 ARG H 1 42 GLU HA . . 4.910 4.840 4.752 4.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 32 ARG H 1 51 ILE MD . . 5.500 5.500 5.350 5.547 0.047 10 0 "[ . 1 . 2 . 3 .]" 1
303 1 32 ARG H 1 65 LEU HA . . 5.040 4.630 4.378 5.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
304 1 32 ARG H 1 65 LEU QD . . 3.290 3.228 2.646 3.761 0.471 10 0 "[ . 1 . 2 . 3 .]" 1
305 1 32 ARG H 1 66 ILE H . . 4.550 4.002 3.625 4.304 . 0 0 "[ . 1 . 2 . 3 .]" 1
306 1 32 ARG H 1 66 ILE MD . . 4.290 3.920 3.700 4.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 32 ARG HA 1 32 ARG HD2 . . 5.410 4.539 4.383 4.654 . 0 0 "[ . 1 . 2 . 3 .]" 1
308 1 32 ARG HA 1 32 ARG QD . . 4.620 4.000 3.944 4.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 32 ARG HA 1 32 ARG HD3 . . 5.410 4.450 4.358 4.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
310 1 32 ARG HA 1 32 ARG HG2 . . 3.500 2.500 2.330 2.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 32 ARG HA 1 32 ARG HG3 . . 3.240 2.502 2.272 2.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 32 ARG HA 1 33 TYR H . . 2.730 2.223 2.164 2.258 . 0 0 "[ . 1 . 2 . 3 .]" 1
313 1 32 ARG HA 1 33 TYR HA . . 4.690 4.460 4.416 4.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
314 1 32 ARG HA 1 33 TYR QD . . 4.000 3.165 2.937 3.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 32 ARG HA 1 33 TYR QE . . 4.790 4.728 4.493 4.809 0.019 10 0 "[ . 1 . 2 . 3 .]" 1
316 1 32 ARG HA 1 41 PHE H . . 4.750 4.720 4.650 4.769 0.019 13 0 "[ . 1 . 2 . 3 .]" 1
317 1 32 ARG HA 1 42 GLU H . . 4.820 4.806 4.750 4.835 0.015 31 0 "[ . 1 . 2 . 3 .]" 1
318 1 32 ARG HA 1 42 GLU HA . . 2.890 2.276 2.203 2.334 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 32 ARG HA 1 42 GLU HB2 . . 5.500 5.227 5.144 5.280 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 32 ARG HA 1 42 GLU HB3 . . 4.170 4.188 4.118 4.231 0.061 33 0 "[ . 1 . 2 . 3 .]" 1
321 1 32 ARG HA 1 42 GLU HG2 . . 5.460 4.839 4.100 5.229 . 0 0 "[ . 1 . 2 . 3 .]" 1
322 1 32 ARG HA 1 42 GLU HG3 . . 4.440 3.787 3.561 4.105 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 32 ARG HA 1 43 VAL H . . 3.830 3.159 3.017 3.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 32 ARG HA 1 43 VAL MG2 . . 4.490 4.048 3.881 4.149 . 0 0 "[ . 1 . 2 . 3 .]" 1
325 1 32 ARG HA 1 66 ILE MD . . 3.820 3.747 3.670 3.837 0.017 31 0 "[ . 1 . 2 . 3 .]" 1
326 1 32 ARG HB2 1 32 ARG QD . . 3.130 2.382 2.142 2.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
327 1 32 ARG HB2 1 42 GLU HA . . 5.090 4.807 4.642 4.913 . 0 0 "[ . 1 . 2 . 3 .]" 1
328 1 32 ARG HB2 1 66 ILE H . . 4.840 4.172 3.967 4.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
329 1 32 ARG HB3 1 32 ARG QD . . 3.410 2.697 2.370 3.068 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 32 ARG HB3 1 33 TYR H . . 3.340 2.895 2.694 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 32 ARG HB3 1 33 TYR HA . . 4.320 4.169 4.060 4.342 0.022 14 0 "[ . 1 . 2 . 3 .]" 1
332 1 32 ARG HB3 1 41 PHE H . . 4.840 4.758 4.454 4.855 0.015 21 0 "[ . 1 . 2 . 3 .]" 1
333 1 32 ARG HB3 1 42 GLU HA . . 5.370 4.512 4.188 4.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
334 1 32 ARG HB3 1 66 ILE H . . 5.330 4.023 3.759 4.305 . 0 0 "[ . 1 . 2 . 3 .]" 1
335 1 32 ARG HB3 1 66 ILE MD . . 3.520 2.101 2.008 2.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
336 1 32 ARG HB3 1 66 ILE MG . . 5.060 5.041 4.727 5.135 0.075 23 0 "[ . 1 . 2 . 3 .]" 1
337 1 32 ARG QD 1 42 GLU HG2 . . 4.960 3.676 2.961 4.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
338 1 32 ARG QD 1 66 ILE MD . . 4.100 3.842 3.354 4.163 0.063 14 0 "[ . 1 . 2 . 3 .]" 1
339 1 32 ARG HD2 1 42 GLU HA . . 5.500 5.141 4.605 5.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
340 1 32 ARG HD2 1 42 GLU HG3 . . 5.500 3.775 3.132 4.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 32 ARG HD3 1 42 GLU HA . . 5.500 5.352 4.553 5.518 0.018 10 0 "[ . 1 . 2 . 3 .]" 1
342 1 32 ARG HD3 1 42 GLU HG3 . . 5.500 4.166 2.918 4.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
343 1 32 ARG HG2 1 33 TYR H . . 3.840 3.345 2.946 3.742 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 32 ARG HG2 1 40 GLU HB3 . . 4.440 3.971 3.427 4.456 0.016 18 0 "[ . 1 . 2 . 3 .]" 1
345 1 32 ARG HG2 1 41 PHE H . . 4.850 4.436 3.911 4.857 0.007 14 0 "[ . 1 . 2 . 3 .]" 1
346 1 32 ARG HG2 1 42 GLU H . . 4.590 4.446 4.149 4.644 0.054 23 0 "[ . 1 . 2 . 3 .]" 1
347 1 32 ARG HG2 1 42 GLU HA . . 4.010 2.971 2.467 3.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
348 1 32 ARG HG2 1 42 GLU HG2 . . 4.850 3.549 2.966 4.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 32 ARG HG2 1 42 GLU HG3 . . 5.300 2.251 2.151 2.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
350 1 32 ARG HG2 1 66 ILE MD . . 4.180 3.883 3.684 4.129 . 0 0 "[ . 1 . 2 . 3 .]" 1
351 1 32 ARG HG3 1 42 GLU H . . 5.200 5.185 4.819 5.273 0.073 6 0 "[ . 1 . 2 . 3 .]" 1
352 1 32 ARG HG3 1 42 GLU HA . . 3.730 2.929 2.345 3.051 . 0 0 "[ . 1 . 2 . 3 .]" 1
353 1 32 ARG HG3 1 42 GLU HG2 . . 5.110 3.126 2.293 3.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
354 1 32 ARG HG3 1 42 GLU HG3 . . 5.500 2.650 2.271 3.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
355 1 32 ARG HG3 1 43 VAL H . . 4.580 4.291 3.596 4.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
356 1 33 TYR H 1 33 TYR QD . . 3.370 3.000 2.932 3.058 . 0 0 "[ . 1 . 2 . 3 .]" 1
357 1 33 TYR H 1 33 TYR QE . . 5.320 5.182 5.113 5.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
358 1 33 TYR H 1 40 GLU HA . . 4.540 4.333 4.244 4.437 . 0 0 "[ . 1 . 2 . 3 .]" 1
359 1 33 TYR H 1 41 PHE H . . 3.450 2.991 2.955 3.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
360 1 33 TYR H 1 41 PHE HA . . 4.820 4.819 4.774 4.840 0.020 12 0 "[ . 1 . 2 . 3 .]" 1
361 1 33 TYR H 1 41 PHE HB2 . . 4.230 4.172 4.075 4.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 33 TYR H 1 41 PHE HB3 . . 5.110 5.128 5.017 5.162 0.052 30 0 "[ . 1 . 2 . 3 .]" 1
363 1 33 TYR H 1 41 PHE QD . . 5.380 5.402 5.370 5.421 0.041 25 0 "[ . 1 . 2 . 3 .]" 1
364 1 33 TYR H 1 42 GLU HG3 . . 4.900 4.841 4.615 4.956 0.056 34 0 "[ . 1 . 2 . 3 .]" 1
365 1 33 TYR H 1 43 VAL H . . 4.550 4.626 4.600 4.645 0.095 17 0 "[ . 1 . 2 . 3 .]" 1
366 1 33 TYR H 1 43 VAL MG2 . . 4.090 4.072 3.979 4.116 0.026 19 0 "[ . 1 . 2 . 3 .]" 1
367 1 33 TYR H 1 63 GLY HA3 . . 5.400 5.425 5.346 5.444 0.044 19 0 "[ . 1 . 2 . 3 .]" 1
368 1 33 TYR H 1 65 LEU HA . . 4.930 4.938 4.849 4.988 0.058 30 0 "[ . 1 . 2 . 3 .]" 1
369 1 33 TYR H 1 66 ILE MD . . 3.780 2.936 2.876 2.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
370 1 33 TYR H 1 66 ILE HG13 . . 5.500 5.603 5.532 5.650 0.150 21 0 "[ . 1 . 2 . 3 .]" 1
371 1 33 TYR HA 1 33 TYR QD . . 3.360 3.130 3.071 3.170 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 1 33 TYR HA 1 33 TYR QE . . 4.790 4.817 4.789 4.838 0.048 33 0 "[ . 1 . 2 . 3 .]" 1
373 1 33 TYR HA 1 34 ARG H . . 2.770 2.172 2.143 2.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 1 33 TYR HA 1 41 PHE H . . 5.120 4.917 4.872 4.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
375 1 33 TYR HA 1 63 GLY HA3 . . 4.580 4.407 4.314 4.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
376 1 33 TYR HA 1 64 THR HB . . 5.160 5.198 5.182 5.212 0.052 3 0 "[ . 1 . 2 . 3 .]" 1
377 1 33 TYR HA 1 65 LEU HA . . 3.150 2.611 2.529 2.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
378 1 33 TYR HA 1 65 LEU HB2 . . 5.140 4.862 4.793 4.907 . 0 0 "[ . 1 . 2 . 3 .]" 1
379 1 33 TYR HA 1 65 LEU QD . . 4.140 4.235 3.852 4.620 0.480 6 0 "[ . 1 . 2 . 3 .]" 1
380 1 33 TYR HA 1 65 LEU HG . . 5.500 5.229 4.978 5.514 0.014 30 0 "[ . 1 . 2 . 3 .]" 1
381 1 33 TYR HA 1 66 ILE H . . 3.610 2.836 2.701 2.929 . 0 0 "[ . 1 . 2 . 3 .]" 1
382 1 33 TYR HA 1 66 ILE HA . . 5.500 5.457 5.373 5.519 0.019 15 0 "[ . 1 . 2 . 3 .]" 1
383 1 33 TYR HA 1 66 ILE MD . . 4.010 2.120 2.061 2.208 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 1 33 TYR HA 1 66 ILE HG12 . . 4.840 4.832 4.584 4.948 0.108 26 0 "[ . 1 . 2 . 3 .]" 1
385 1 33 TYR HA 1 66 ILE HG13 . . 4.960 4.811 4.641 4.996 0.036 18 0 "[ . 1 . 2 . 3 .]" 1
386 1 33 TYR HA 1 66 ILE MG . . 4.510 3.656 3.476 3.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
387 1 33 TYR HB2 1 34 ARG H . . 4.260 4.023 3.958 4.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 1 33 TYR HB2 1 41 PHE H . . 4.350 4.040 3.978 4.091 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 1 33 TYR HB2 1 63 GLY H . . 4.800 4.642 4.514 4.718 . 0 0 "[ . 1 . 2 . 3 .]" 1
390 1 33 TYR HB2 1 63 GLY HA2 . . 4.640 4.654 4.612 4.669 0.029 35 0 "[ . 1 . 2 . 3 .]" 1
391 1 33 TYR HB2 1 63 GLY HA3 . . 4.030 3.042 3.013 3.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
392 1 33 TYR HB2 1 64 THR H . . 5.090 4.860 4.825 4.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
393 1 33 TYR HB2 1 64 THR HA . . 5.500 5.571 5.564 5.580 0.080 8 0 "[ . 1 . 2 . 3 .]" 1
394 1 33 TYR HB2 1 65 LEU HA . . 5.080 4.815 4.714 4.871 . 0 0 "[ . 1 . 2 . 3 .]" 1
395 1 33 TYR HB3 1 34 ARG H . . 3.530 2.959 2.873 3.110 . 0 0 "[ . 1 . 2 . 3 .]" 1
396 1 33 TYR HB3 1 55 TRP H . . 4.650 3.778 3.675 3.856 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 1 33 TYR HB3 1 63 GLY H . . 4.370 4.063 3.936 4.152 . 0 0 "[ . 1 . 2 . 3 .]" 1
398 1 33 TYR HB3 1 63 GLY HA2 . . 4.050 3.538 3.466 3.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
399 1 33 TYR HB3 1 63 GLY HA3 . . 4.040 2.230 2.190 2.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
400 1 33 TYR HB3 1 64 THR H . . 3.890 3.272 3.231 3.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
401 1 33 TYR HB3 1 64 THR HA . . 4.360 3.897 3.886 3.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
402 1 33 TYR HB3 1 65 LEU H . . 4.620 4.582 4.540 4.626 0.006 6 0 "[ . 1 . 2 . 3 .]" 1
403 1 33 TYR HB3 1 65 LEU HA . . 5.210 4.026 3.930 4.094 . 0 0 "[ . 1 . 2 . 3 .]" 1
404 1 33 TYR HB3 1 66 ILE H . . 5.360 5.126 5.012 5.211 . 0 0 "[ . 1 . 2 . 3 .]" 1
405 1 33 TYR QD 1 34 ARG H . . 4.120 4.094 4.029 4.134 0.014 14 0 "[ . 1 . 2 . 3 .]" 1
406 1 33 TYR QD 1 41 PHE H . . 5.300 5.239 5.166 5.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
407 1 33 TYR QD 1 41 PHE HB2 . . 5.170 5.050 4.956 5.143 . 0 0 "[ . 1 . 2 . 3 .]" 1
408 1 33 TYR QD 1 42 GLU HA . . 4.720 4.056 3.903 4.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
409 1 33 TYR QD 1 43 VAL H . . 4.360 3.468 3.352 3.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
410 1 33 TYR QD 1 43 VAL HB . . 3.360 3.101 3.025 3.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
411 1 33 TYR QD 1 43 VAL MG2 . . 3.130 2.333 2.236 2.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
412 1 33 TYR QD 1 45 PHE QE . . 4.440 4.363 4.331 4.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 33 TYR QD 1 51 ILE MG . . 5.060 4.582 4.416 4.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
414 1 33 TYR QD 1 54 THR H . . 5.390 5.141 5.109 5.182 . 0 0 "[ . 1 . 2 . 3 .]" 1
415 1 33 TYR QD 1 54 THR HA . . 3.310 2.423 2.387 2.450 . 0 0 "[ . 1 . 2 . 3 .]" 1
416 1 33 TYR QD 1 54 THR HB . . 4.420 4.088 4.032 4.116 . 0 0 "[ . 1 . 2 . 3 .]" 1
417 1 33 TYR QD 1 54 THR MG . . 4.080 3.970 3.945 3.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
418 1 33 TYR QD 1 55 TRP H . . 3.460 2.699 2.669 2.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
419 1 33 TYR QD 1 55 TRP HA . . 5.500 5.101 5.060 5.149 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 1 33 TYR QD 1 55 TRP HB2 . . 4.370 4.085 4.032 4.140 . 0 0 "[ . 1 . 2 . 3 .]" 1
421 1 33 TYR QD 1 55 TRP HB3 . . 3.790 3.352 3.302 3.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
422 1 33 TYR QD 1 63 GLY HA2 . . 4.790 4.775 4.740 4.811 0.021 7 0 "[ . 1 . 2 . 3 .]" 1
423 1 33 TYR QD 1 63 GLY HA3 . . 4.030 3.833 3.790 3.872 . 0 0 "[ . 1 . 2 . 3 .]" 1
424 1 33 TYR QD 1 64 THR H . . 4.200 3.930 3.885 3.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 1 33 TYR QD 1 64 THR HA . . 3.250 2.586 2.559 2.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
426 1 33 TYR QD 1 65 LEU H . . 3.250 2.728 2.692 2.751 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 1 33 TYR QD 1 65 LEU HA . . 3.350 2.998 2.924 3.071 . 0 0 "[ . 1 . 2 . 3 .]" 1
428 1 33 TYR QD 1 65 LEU HB2 . . 3.900 3.319 3.238 3.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 1 33 TYR QD 1 65 LEU HB3 . . 4.880 4.544 4.500 4.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
430 1 33 TYR QD 1 65 LEU QD . . 4.620 3.985 3.437 4.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
431 1 33 TYR QD 1 66 ILE H . . 4.870 4.581 4.448 4.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
432 1 33 TYR QD 1 66 ILE MD . . 4.200 4.235 4.216 4.247 0.047 16 0 "[ . 1 . 2 . 3 .]" 1
433 1 33 TYR QE 1 43 VAL H . . 4.460 3.974 3.830 4.116 . 0 0 "[ . 1 . 2 . 3 .]" 1
434 1 33 TYR QE 1 43 VAL HB . . 3.100 2.206 2.165 2.267 . 0 0 "[ . 1 . 2 . 3 .]" 1
435 1 33 TYR QE 1 43 VAL MG1 . . 3.730 3.383 3.330 3.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
436 1 33 TYR QE 1 43 VAL MG2 . . 3.380 2.969 2.865 3.099 . 0 0 "[ . 1 . 2 . 3 .]" 1
437 1 33 TYR QE 1 45 PHE QD . . 3.990 4.007 3.997 4.026 0.036 4 0 "[ . 1 . 2 . 3 .]" 1
438 1 33 TYR QE 1 45 PHE QE . . 3.020 2.145 2.113 2.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
439 1 33 TYR QE 1 51 ILE MD . . 4.710 3.997 3.885 4.216 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 1 33 TYR QE 1 51 ILE MG . . 3.430 3.011 2.862 3.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
441 1 33 TYR QE 1 52 PRO QD . . 5.350 4.071 4.009 4.144 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 1 33 TYR QE 1 53 GLY HA2 . . 5.200 4.292 4.254 4.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
443 1 33 TYR QE 1 53 GLY HA3 . . 5.500 5.083 5.049 5.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
444 1 33 TYR QE 1 54 THR H . . 4.070 3.540 3.494 3.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
445 1 33 TYR QE 1 54 THR HA . . 3.320 2.194 2.167 2.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
446 1 33 TYR QE 1 54 THR HB . . 4.720 4.523 4.501 4.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
447 1 33 TYR QE 1 54 THR MG . . 4.240 4.259 4.249 4.276 0.036 19 0 "[ . 1 . 2 . 3 .]" 1
448 1 33 TYR QE 1 55 TRP H . . 3.820 3.292 3.253 3.327 . 0 0 "[ . 1 . 2 . 3 .]" 1
449 1 33 TYR QE 1 55 TRP HA . . 4.630 4.637 4.603 4.645 0.015 22 0 "[ . 1 . 2 . 3 .]" 1
450 1 33 TYR QE 1 55 TRP HB2 . . 4.210 3.046 3.006 3.068 . 0 0 "[ . 1 . 2 . 3 .]" 1
451 1 33 TYR QE 1 55 TRP HB3 . . 4.210 3.236 3.190 3.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
452 1 33 TYR QE 1 55 TRP HE3 . . 5.080 4.922 4.881 4.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
453 1 33 TYR QE 1 64 THR HA . . 4.270 4.037 3.990 4.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
454 1 33 TYR QE 1 65 LEU H . . 3.400 3.280 3.246 3.351 . 0 0 "[ . 1 . 2 . 3 .]" 1
455 1 33 TYR QE 1 65 LEU HA . . 3.850 3.710 3.605 3.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
456 1 33 TYR QE 1 65 LEU HB2 . . 3.510 2.427 2.371 2.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
457 1 33 TYR QE 1 65 LEU HB3 . . 4.100 4.071 4.036 4.121 0.021 33 0 "[ . 1 . 2 . 3 .]" 1
458 1 33 TYR QE 1 65 LEU MD1 . . 4.620 3.306 2.823 3.638 . 0 0 "[ . 1 . 2 . 3 .]" 1
459 1 33 TYR QE 1 65 LEU QD . . 3.890 3.204 2.757 3.512 . 0 0 "[ . 1 . 2 . 3 .]" 1
460 1 33 TYR QE 1 65 LEU MD2 . . 4.620 4.307 3.750 4.636 0.016 4 0 "[ . 1 . 2 . 3 .]" 1
461 1 34 ARG H 1 34 ARG HB2 . . 3.240 2.819 2.764 2.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
462 1 34 ARG H 1 34 ARG HB3 . . 3.430 2.530 2.468 2.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
463 1 34 ARG H 1 34 ARG QD . . 4.920 4.708 4.429 4.961 0.041 23 0 "[ . 1 . 2 . 3 .]" 1
464 1 34 ARG H 1 34 ARG HG2 . . 5.120 4.481 4.407 4.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
465 1 34 ARG H 1 34 ARG HG3 . . 5.500 4.586 4.531 4.648 . 0 0 "[ . 1 . 2 . 3 .]" 1
466 1 34 ARG H 1 35 THR H . . 4.640 4.456 4.426 4.494 . 0 0 "[ . 1 . 2 . 3 .]" 1
467 1 34 ARG H 1 40 GLU HA . . 4.600 4.642 4.615 4.661 0.061 10 0 "[ . 1 . 2 . 3 .]" 1
468 1 34 ARG H 1 40 GLU QG . . 4.590 4.045 3.748 4.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
469 1 34 ARG H 1 63 GLY HA2 . . 4.050 4.036 3.954 4.102 0.052 14 0 "[ . 1 . 2 . 3 .]" 1
470 1 34 ARG H 1 63 GLY HA3 . . 4.160 3.881 3.759 4.042 . 0 0 "[ . 1 . 2 . 3 .]" 1
471 1 34 ARG H 1 64 THR H . . 3.260 2.632 2.574 2.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
472 1 34 ARG H 1 64 THR HB . . 4.130 3.840 3.814 3.874 . 0 0 "[ . 1 . 2 . 3 .]" 1
473 1 34 ARG H 1 65 LEU H . . 4.840 4.857 4.827 4.872 0.032 34 0 "[ . 1 . 2 . 3 .]" 1
474 1 34 ARG H 1 65 LEU HA . . 4.380 4.154 4.100 4.224 . 0 0 "[ . 1 . 2 . 3 .]" 1
475 1 34 ARG H 1 65 LEU QD . . 5.440 5.589 5.425 5.758 0.318 6 0 "[ . 1 . 2 . 3 .]" 1
476 1 34 ARG H 1 66 ILE H . . 4.140 4.150 4.107 4.180 0.040 14 0 "[ . 1 . 2 . 3 .]" 1
477 1 34 ARG H 1 66 ILE MD . . 4.040 2.309 2.163 2.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
478 1 34 ARG H 1 66 ILE HG13 . . 4.780 4.522 4.172 4.868 0.088 18 0 "[ . 1 . 2 . 3 .]" 1
479 1 34 ARG H 1 66 ILE MG . . 4.570 3.054 2.763 3.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
480 1 34 ARG HA 1 34 ARG HD2 . . 5.170 4.439 4.092 4.825 . 0 0 "[ . 1 . 2 . 3 .]" 1
481 1 34 ARG HA 1 34 ARG QD . . 4.380 3.911 3.663 4.195 . 0 0 "[ . 1 . 2 . 3 .]" 1
482 1 34 ARG HA 1 34 ARG HD3 . . 5.170 4.451 3.854 4.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
483 1 34 ARG HA 1 34 ARG HG3 . . 3.460 2.434 2.264 2.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
484 1 34 ARG HA 1 35 THR H . . 2.860 2.114 2.087 2.144 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 1 34 ARG HA 1 35 THR HA . . 4.720 4.421 4.394 4.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
486 1 34 ARG HA 1 35 THR MG . . 4.600 3.701 3.643 3.758 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 1 34 ARG HA 1 40 GLU HA . . 2.900 2.248 2.200 2.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
488 1 34 ARG HA 1 40 GLU HB3 . . 4.520 4.172 3.884 4.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
489 1 34 ARG HA 1 40 GLU HG2 . . 3.910 2.503 2.374 2.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 1 34 ARG HA 1 40 GLU QG . . 3.100 2.416 2.287 2.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
491 1 34 ARG HA 1 40 GLU HG3 . . 3.910 3.247 2.803 3.874 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 1 34 ARG HA 1 41 PHE H . . 3.660 3.646 3.595 3.685 0.025 30 0 "[ . 1 . 2 . 3 .]" 1
493 1 34 ARG HA 1 41 PHE QD . . 4.670 4.521 4.434 4.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 34 ARG HA 1 64 THR H . . 4.900 4.402 4.338 4.461 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 1 34 ARG HA 1 66 ILE MD . . 3.990 3.465 3.288 3.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
496 1 34 ARG HA 1 66 ILE HG13 . . 5.490 5.006 4.638 5.511 0.021 14 0 "[ . 1 . 2 . 3 .]" 1
497 1 34 ARG HA 1 66 ILE MG . . 4.830 4.652 4.334 4.885 0.055 15 0 "[ . 1 . 2 . 3 .]" 1
498 1 34 ARG HB2 1 35 THR H . . 4.310 4.280 4.220 4.317 0.007 1 0 "[ . 1 . 2 . 3 .]" 1
499 1 34 ARG HB2 1 40 GLU HA . . 4.200 3.939 3.784 4.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
500 1 34 ARG HB2 1 40 GLU QG . . 3.650 2.210 2.146 2.329 . 0 0 "[ . 1 . 2 . 3 .]" 1
501 1 34 ARG HB2 1 64 THR H . . 4.960 4.788 4.692 4.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
502 1 34 ARG HB2 1 66 ILE H . . 5.440 5.241 5.068 5.481 0.041 18 0 "[ . 1 . 2 . 3 .]" 1
503 1 34 ARG HB2 1 66 ILE MD . . 4.140 2.379 2.056 2.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 1 34 ARG HB2 1 66 ILE HG12 . . 5.170 4.430 4.076 4.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 1 34 ARG HB2 1 66 ILE HG13 . . 4.990 2.942 2.501 3.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
506 1 34 ARG HB2 1 66 ILE MG . . 5.050 2.758 2.437 3.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
507 1 34 ARG HB3 1 35 THR H . . 4.240 4.222 4.138 4.264 0.024 34 0 "[ . 1 . 2 . 3 .]" 1
508 1 34 ARG HB3 1 35 THR HA . . 5.500 5.268 5.210 5.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
509 1 34 ARG HB3 1 40 GLU QG . . 3.990 3.698 3.619 3.840 . 0 0 "[ . 1 . 2 . 3 .]" 1
510 1 34 ARG HB3 1 64 THR H . . 4.700 3.562 3.430 3.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
511 1 34 ARG HB3 1 66 ILE MD . . 4.200 3.186 2.833 3.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
512 1 34 ARG HB3 1 66 ILE HG13 . . 5.180 4.240 3.696 5.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
513 1 34 ARG HB3 1 66 ILE MG . . 5.050 2.775 2.402 3.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 1 34 ARG QD 1 38 GLY HA2 . . 4.880 3.035 2.291 4.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
515 1 34 ARG QD 1 38 GLY HA3 . . 5.340 4.201 3.325 5.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
516 1 34 ARG QD 1 40 GLU HA . . 5.340 5.005 4.457 5.437 0.097 29 0 "[ . 1 . 2 . 3 .]" 1
517 1 34 ARG QD 1 40 GLU QG . . 3.520 2.813 2.152 3.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
518 1 34 ARG QD 1 66 ILE MG . . 5.100 3.153 2.493 3.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
519 1 34 ARG HD2 1 35 THR H . . 5.500 5.349 5.069 5.523 0.023 33 0 "[ . 1 . 2 . 3 .]" 1
520 1 34 ARG HD2 1 66 ILE MD . . 5.500 4.629 3.639 5.539 0.039 17 0 "[ . 1 . 2 . 3 .]" 1
521 1 34 ARG HD3 1 35 THR H . . 5.500 5.346 5.069 5.544 0.044 3 0 "[ . 1 . 2 . 3 .]" 1
522 1 34 ARG HD3 1 66 ILE MD . . 5.500 4.628 3.907 5.533 0.033 29 0 "[ . 1 . 2 . 3 .]" 1
523 1 34 ARG HG2 1 38 GLY H . . 4.620 3.754 3.523 4.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
524 1 34 ARG HG2 1 38 GLY HA2 . . 5.500 2.691 2.438 3.233 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 1 34 ARG HG2 1 38 GLY HA3 . . 5.500 4.424 4.150 4.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
526 1 34 ARG HG3 1 35 THR H . . 3.740 3.010 2.746 3.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
527 1 34 ARG HG3 1 38 GLY H . . 4.950 4.297 3.928 4.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
528 1 34 ARG HG3 1 38 GLY HA2 . . 5.500 2.804 2.537 3.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
529 1 34 ARG HG3 1 38 GLY HA3 . . 5.500 4.180 3.975 4.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 1 34 ARG HG3 1 40 GLU HA . . 4.000 3.700 3.372 3.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
531 1 34 ARG HG3 1 40 GLU QG . . 3.480 2.278 2.094 2.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
532 1 35 THR H 1 35 THR HB . . 4.180 3.690 3.667 3.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
533 1 35 THR H 1 35 THR MG . . 3.340 2.389 2.350 2.450 . 0 0 "[ . 1 . 2 . 3 .]" 1
534 1 35 THR H 1 36 ASP HA . . 5.500 5.570 5.558 5.584 0.084 16 0 "[ . 1 . 2 . 3 .]" 1
535 1 35 THR H 1 37 ASN H . . 4.950 4.698 4.590 4.762 . 0 0 "[ . 1 . 2 . 3 .]" 1
536 1 35 THR H 1 38 GLY H . . 4.620 4.178 4.069 4.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
537 1 35 THR H 1 38 GLY HA2 . . 4.830 4.317 4.089 4.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 1 35 THR H 1 39 GLU H . . 3.960 3.384 3.293 3.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
539 1 35 THR H 1 39 GLU HB2 . . 4.420 3.796 3.757 3.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
540 1 35 THR H 1 40 GLU HA . . 3.710 3.358 3.274 3.425 . 0 0 "[ . 1 . 2 . 3 .]" 1
541 1 35 THR H 1 40 GLU QG . . 3.840 3.860 3.763 3.907 0.067 22 0 "[ . 1 . 2 . 3 .]" 1
542 1 35 THR H 1 41 PHE H . . 4.710 4.641 4.587 4.713 0.003 12 0 "[ . 1 . 2 . 3 .]" 1
543 1 35 THR H 1 41 PHE QD . . 4.250 4.070 4.011 4.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
544 1 35 THR H 1 59 ASN HD21 . . 5.370 5.194 4.862 5.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
545 1 35 THR H 1 63 GLY HA2 . . 4.670 4.016 3.944 4.088 . 0 0 "[ . 1 . 2 . 3 .]" 1
546 1 35 THR H 1 63 GLY HA3 . . 4.900 4.556 4.488 4.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
547 1 35 THR H 1 64 THR H . . 4.840 4.732 4.681 4.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
548 1 35 THR HA 1 35 THR HB . . 2.790 2.447 2.433 2.478 . 0 0 "[ . 1 . 2 . 3 .]" 1
549 1 35 THR HA 1 35 THR MG . . 2.610 2.398 2.335 2.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
550 1 35 THR HA 1 36 ASP H . . 2.960 2.586 2.564 2.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
551 1 35 THR HA 1 36 ASP HA . . 4.430 4.298 4.270 4.336 . 0 0 "[ . 1 . 2 . 3 .]" 1
552 1 35 THR HA 1 36 ASP QB . . 5.010 4.182 4.136 4.213 . 0 0 "[ . 1 . 2 . 3 .]" 1
553 1 35 THR HA 1 41 PHE QD . . 5.500 5.562 5.536 5.578 0.078 28 0 "[ . 1 . 2 . 3 .]" 1
554 1 35 THR HA 1 57 CYS HB2 . . 4.600 4.595 4.499 4.628 0.028 15 0 "[ . 1 . 2 . 3 .]" 1
555 1 35 THR HA 1 61 MET HB3 . . 3.930 3.803 3.685 3.931 0.001 19 0 "[ . 1 . 2 . 3 .]" 1
556 1 35 THR HA 1 61 MET HG2 . . 4.990 4.128 3.827 4.280 . 0 0 "[ . 1 . 2 . 3 .]" 1
557 1 35 THR HA 1 61 MET HG3 . . 4.990 3.425 3.277 3.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
558 1 35 THR HA 1 63 GLY H . . 4.630 4.474 4.366 4.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
559 1 35 THR HA 1 63 GLY HA2 . . 2.950 2.233 2.140 2.307 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 1 35 THR HA 1 63 GLY HA3 . . 3.750 3.592 3.527 3.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
561 1 35 THR HB 1 36 ASP H . . 2.950 2.028 2.013 2.047 . 0 0 "[ . 1 . 2 . 3 .]" 1
562 1 35 THR HB 1 36 ASP HB2 . . 5.500 4.485 4.430 4.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
563 1 35 THR HB 1 36 ASP QB . . 4.660 3.835 3.798 3.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
564 1 35 THR HB 1 36 ASP HB3 . . 5.500 4.166 4.133 4.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
565 1 35 THR HB 1 37 ASN H . . 3.450 2.926 2.753 2.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
566 1 35 THR HB 1 38 GLY H . . 4.540 4.543 4.503 4.568 0.028 17 0 "[ . 1 . 2 . 3 .]" 1
567 1 35 THR HB 1 39 GLU H . . 4.350 4.181 4.066 4.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
568 1 35 THR HB 1 39 GLU HB2 . . 4.460 4.100 4.067 4.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
569 1 35 THR HB 1 39 GLU HG3 . . 4.040 4.074 4.056 4.121 0.081 30 0 "[ . 1 . 2 . 3 .]" 1
570 1 35 THR HB 1 41 PHE QD . . 5.500 5.397 5.344 5.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
571 1 35 THR HB 1 57 CYS HB2 . . 5.250 4.498 4.443 4.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
572 1 35 THR HB 1 59 ASN HD21 . . 3.750 2.910 2.626 2.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
573 1 35 THR HB 1 59 ASN HD22 . . 4.160 4.113 3.720 4.176 0.016 4 0 "[ . 1 . 2 . 3 .]" 1
574 1 35 THR HB 1 61 MET H . . 4.610 4.640 4.622 4.653 0.043 19 0 "[ . 1 . 2 . 3 .]" 1
575 1 35 THR HB 1 61 MET HA . . 5.120 5.044 4.916 5.171 0.051 30 0 "[ . 1 . 2 . 3 .]" 1
576 1 35 THR HB 1 61 MET HB2 . . 3.440 3.480 3.454 3.497 0.057 12 0 "[ . 1 . 2 . 3 .]" 1
577 1 35 THR HB 1 61 MET HB3 . . 3.160 2.200 2.174 2.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
578 1 35 THR HB 1 61 MET QG . . 4.530 2.492 2.277 2.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
579 1 35 THR HG1 1 36 ASP HA . . 5.490 5.751 5.679 5.813 0.323 27 0 "[ . 1 . 2 . 3 .]" 1
580 1 35 THR HG1 1 37 ASN H . . 3.510 3.589 3.561 3.623 0.113 30 0 "[ . 1 . 2 . 3 .]" 1
581 1 35 THR HG1 1 37 ASN HD21 . . 4.820 5.126 5.057 5.274 0.454 23 0 "[ . 1 . 2 . 3 .]" 1
582 1 35 THR HG1 1 38 GLY H . . 3.990 3.877 3.809 4.020 0.030 4 0 "[ . 1 . 2 . 3 .]" 1
583 1 35 THR HG1 1 39 GLU H . . 3.710 2.204 2.156 2.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
584 1 35 THR HG1 1 59 ASN HD21 . . 3.790 3.324 2.956 3.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
585 1 35 THR HG1 1 59 ASN HD22 . . 4.180 4.646 4.313 4.801 0.621 35 9 "[ *. 1 . * 2 ** * * -* +]" 1
586 1 35 THR MG 1 36 ASP H . . 3.730 3.563 3.538 3.585 . 0 0 "[ . 1 . 2 . 3 .]" 1
587 1 35 THR MG 1 37 ASN H . . 4.160 4.222 4.154 4.259 0.099 12 0 "[ . 1 . 2 . 3 .]" 1
588 1 35 THR MG 1 39 GLU H . . 4.460 3.980 3.931 4.060 . 0 0 "[ . 1 . 2 . 3 .]" 1
589 1 35 THR MG 1 39 GLU HB2 . . 4.920 2.762 2.712 2.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
590 1 35 THR MG 1 39 GLU HG2 . . 5.400 5.023 4.989 5.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
591 1 35 THR MG 1 40 GLU HA . . 4.800 4.009 3.917 4.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
592 1 35 THR MG 1 40 GLU QG . . 5.340 5.057 4.973 5.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
593 1 35 THR MG 1 41 PHE H . . 5.110 4.227 4.153 4.322 . 0 0 "[ . 1 . 2 . 3 .]" 1
594 1 35 THR MG 1 41 PHE QD . . 2.620 2.476 2.444 2.505 . 0 0 "[ . 1 . 2 . 3 .]" 1
595 1 35 THR MG 1 41 PHE QE . . 4.010 2.737 2.669 2.810 . 0 0 "[ . 1 . 2 . 3 .]" 1
596 1 35 THR MG 1 57 CYS HA . . 5.270 4.472 4.404 4.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
597 1 35 THR MG 1 57 CYS HB2 . . 3.750 2.083 2.046 2.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
598 1 35 THR MG 1 59 ASN HD21 . . 3.220 2.233 2.050 2.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
599 1 35 THR MG 1 59 ASN HD22 . . 3.940 3.829 3.669 3.958 0.018 35 0 "[ . 1 . 2 . 3 .]" 1
600 1 35 THR MG 1 61 MET H . . 3.540 3.252 3.175 3.315 . 0 0 "[ . 1 . 2 . 3 .]" 1
601 1 35 THR MG 1 61 MET HB2 . . 3.820 3.633 3.592 3.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
602 1 35 THR MG 1 61 MET HB3 . . 4.020 2.275 2.233 2.337 . 0 0 "[ . 1 . 2 . 3 .]" 1
603 1 35 THR MG 1 61 MET HG2 . . 5.500 3.873 3.697 3.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
604 1 35 THR MG 1 61 MET QG . . 4.680 3.247 3.143 3.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
605 1 35 THR MG 1 61 MET HG3 . . 5.500 3.486 3.363 3.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
606 1 35 THR MG 1 63 GLY H . . 4.260 3.803 3.564 3.887 . 0 0 "[ . 1 . 2 . 3 .]" 1
607 1 35 THR MG 1 63 GLY HA2 . . 3.450 3.154 2.886 3.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
608 1 35 THR MG 1 63 GLY HA3 . . 3.820 3.315 3.130 3.387 . 0 0 "[ . 1 . 2 . 3 .]" 1
609 1 36 ASP H 1 36 ASP HB2 . . 3.480 2.502 2.455 2.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
610 1 36 ASP H 1 36 ASP QB . . 2.870 2.235 2.219 2.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
611 1 36 ASP H 1 36 ASP HB3 . . 3.480 2.519 2.496 2.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
612 1 36 ASP H 1 37 ASN H . . 3.480 2.669 2.423 2.755 . 0 0 "[ . 1 . 2 . 3 .]" 1
613 1 36 ASP H 1 38 GLY H . . 4.900 4.169 4.139 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
614 1 36 ASP H 1 39 GLU HG3 . . 5.230 5.285 5.257 5.342 0.112 35 0 "[ . 1 . 2 . 3 .]" 1
615 1 36 ASP H 1 59 ASN HD21 . . 4.690 4.675 4.379 4.710 0.020 1 0 "[ . 1 . 2 . 3 .]" 1
616 1 36 ASP H 1 59 ASN HD22 . . 5.460 5.436 4.944 5.479 0.019 25 0 "[ . 1 . 2 . 3 .]" 1
617 1 36 ASP H 1 61 MET HB2 . . 4.500 4.260 4.157 4.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
618 1 36 ASP H 1 61 MET HB3 . . 4.140 3.432 3.351 3.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
619 1 36 ASP HA 1 38 GLY H . . 3.600 3.441 3.406 3.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
620 1 36 ASP HA 1 39 GLU H . . 5.500 5.543 5.513 5.558 0.058 29 0 "[ . 1 . 2 . 3 .]" 1
621 1 37 ASN H 1 37 ASN HB2 . . 3.690 2.826 2.703 2.927 . 0 0 "[ . 1 . 2 . 3 .]" 1
622 1 37 ASN H 1 37 ASN QB . . 3.000 2.661 2.220 2.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
623 1 37 ASN H 1 37 ASN HB3 . . 3.690 3.471 2.356 3.754 0.064 16 0 "[ . 1 . 2 . 3 .]" 1
624 1 37 ASN H 1 38 GLY H . . 2.950 2.528 2.472 2.582 . 0 0 "[ . 1 . 2 . 3 .]" 1
625 1 37 ASN H 1 38 GLY HA2 . . 5.020 4.774 4.711 4.849 . 0 0 "[ . 1 . 2 . 3 .]" 1
626 1 37 ASN H 1 38 GLY HA3 . . 5.240 5.149 5.081 5.189 . 0 0 "[ . 1 . 2 . 3 .]" 1
627 1 37 ASN H 1 39 GLU H . . 3.630 3.151 3.108 3.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
628 1 37 ASN H 1 39 GLU HG2 . . 4.730 4.557 4.465 4.756 0.026 4 0 "[ . 1 . 2 . 3 .]" 1
629 1 37 ASN H 1 39 GLU HG3 . . 3.490 3.330 3.233 3.541 0.051 23 0 "[ . 1 . 2 . 3 .]" 1
630 1 37 ASN H 1 59 ASN HD21 . . 4.500 4.127 3.780 4.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
631 1 37 ASN H 1 59 ASN HD22 . . 5.400 4.359 3.780 4.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
632 1 37 ASN H 1 61 MET HB3 . . 4.680 4.715 4.659 4.739 0.059 2 0 "[ . 1 . 2 . 3 .]" 1
633 1 37 ASN HA 1 37 ASN HD21 . . 4.460 4.524 4.483 4.545 0.085 1 0 "[ . 1 . 2 . 3 .]" 1
634 1 37 ASN HA 1 39 GLU H . . 4.580 4.490 4.428 4.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
635 1 37 ASN QB 1 38 GLY H . . 3.920 3.634 3.589 3.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
636 1 37 ASN QB 1 38 GLY HA3 . . 5.340 4.641 4.489 5.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
637 1 37 ASN QB 1 39 GLU H . . 4.160 3.035 2.899 3.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
638 1 37 ASN QB 1 39 GLU HG3 . . 3.960 2.074 2.054 2.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
639 1 37 ASN QB 1 59 ASN HD22 . . 4.800 3.518 2.670 3.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
640 1 37 ASN HB2 1 38 GLY H . . 4.710 3.949 3.768 4.473 . 0 0 "[ . 1 . 2 . 3 .]" 1
641 1 37 ASN HB2 1 39 GLU H . . 4.790 3.378 2.941 4.806 0.016 35 0 "[ . 1 . 2 . 3 .]" 1
642 1 37 ASN HB2 1 39 GLU HG3 . . 4.560 2.431 2.064 3.859 . 0 0 "[ . 1 . 2 . 3 .]" 1
643 1 37 ASN HB3 1 38 GLY H . . 4.710 4.403 3.862 4.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
644 1 37 ASN HB3 1 39 GLU H . . 4.790 4.233 3.329 4.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
645 1 37 ASN HB3 1 39 GLU HG3 . . 4.560 3.456 2.113 3.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
646 1 37 ASN HD21 1 39 GLU H . . 4.520 4.556 4.529 4.570 0.050 11 0 "[ . 1 . 2 . 3 .]" 1
647 1 37 ASN HD21 1 39 GLU HB3 . . 5.070 5.029 4.769 5.101 0.031 26 0 "[ . 1 . 2 . 3 .]" 1
648 1 37 ASN HD21 1 39 GLU HG2 . . 4.380 3.453 3.143 3.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 1 37 ASN HD21 1 39 GLU HG3 . . 3.610 2.582 2.469 2.633 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 1 37 ASN HD21 1 59 ASN HD21 . . 4.760 3.532 3.479 3.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
651 1 37 ASN HD22 1 39 GLU HG2 . . 5.270 5.018 4.011 5.283 0.013 15 0 "[ . 1 . 2 . 3 .]" 1
652 1 37 ASN HD22 1 59 ASN HD21 . . 5.180 4.252 3.923 5.323 0.143 27 0 "[ . 1 . 2 . 3 .]" 1
653 1 37 ASN HD22 1 59 ASN HD22 . . 5.500 2.811 2.291 4.159 . 0 0 "[ . 1 . 2 . 3 .]" 1
654 1 38 GLY H 1 38 GLY HA2 . . 2.800 2.326 2.311 2.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
655 1 38 GLY H 1 38 GLY HA3 . . 2.940 2.954 2.944 2.961 0.021 26 0 "[ . 1 . 2 . 3 .]" 1
656 1 38 GLY H 1 39 GLU H . . 3.000 2.563 2.530 2.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
657 1 38 GLY H 1 39 GLU HA . . 5.350 5.228 5.204 5.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
658 1 38 GLY H 1 39 GLU HG2 . . 4.720 4.615 4.528 4.659 . 0 0 "[ . 1 . 2 . 3 .]" 1
659 1 38 GLY H 1 39 GLU HG3 . . 4.590 4.207 4.169 4.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
660 1 38 GLY HA2 1 39 GLU HG2 . . 5.500 5.247 5.015 5.327 . 0 0 "[ . 1 . 2 . 3 .]" 1
661 1 38 GLY HA2 1 40 GLU QG . . 5.340 4.289 4.086 4.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
662 1 38 GLY HA3 1 39 GLU HA . . 5.050 4.445 4.258 4.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
663 1 38 GLY HA3 1 39 GLU HG2 . . 5.070 4.534 4.045 4.693 . 0 0 "[ . 1 . 2 . 3 .]" 1
664 1 38 GLY HA3 1 40 GLU H . . 5.500 5.620 5.607 5.639 0.139 22 0 "[ . 1 . 2 . 3 .]" 1
665 1 39 GLU H 1 39 GLU HB2 . . 2.940 2.836 2.781 2.869 . 0 0 "[ . 1 . 2 . 3 .]" 1
666 1 39 GLU H 1 39 GLU HB3 . . 3.660 3.658 3.636 3.668 0.008 25 0 "[ . 1 . 2 . 3 .]" 1
667 1 39 GLU H 1 39 GLU HG2 . . 3.340 2.520 2.469 2.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
668 1 39 GLU H 1 39 GLU HG3 . . 4.900 2.265 2.245 2.294 . 0 0 "[ . 1 . 2 . 3 .]" 1
669 1 39 GLU H 1 40 GLU H . . 4.770 4.474 4.443 4.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
670 1 39 GLU H 1 59 ASN HD21 . . 4.950 4.453 4.136 4.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
671 1 39 GLU HA 1 39 GLU HG2 . . 3.390 2.730 2.697 2.751 . 0 0 "[ . 1 . 2 . 3 .]" 1
672 1 39 GLU HA 1 39 GLU HG3 . . 3.840 3.667 3.653 3.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
673 1 39 GLU HA 1 40 GLU H . . 2.630 2.163 2.110 2.189 . 0 0 "[ . 1 . 2 . 3 .]" 1
674 1 39 GLU HA 1 41 PHE QD . . 5.220 5.166 5.105 5.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
675 1 39 GLU HB2 1 40 GLU H . . 4.430 4.163 4.138 4.175 . 0 0 "[ . 1 . 2 . 3 .]" 1
676 1 39 GLU HB2 1 41 PHE QD . . 3.650 3.583 3.546 3.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
677 1 39 GLU HB2 1 41 PHE QE . . 3.860 2.087 2.048 2.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
678 1 39 GLU HB2 1 59 ASN HD21 . . 3.590 2.950 2.850 2.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
679 1 39 GLU HB2 1 59 ASN HD22 . . 4.140 4.037 3.863 4.177 0.037 30 0 "[ . 1 . 2 . 3 .]" 1
680 1 39 GLU HB3 1 41 PHE QD . . 4.180 4.209 4.191 4.220 0.040 16 0 "[ . 1 . 2 . 3 .]" 1
681 1 39 GLU HB3 1 41 PHE QE . . 3.660 2.551 2.500 2.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
682 1 39 GLU HB3 1 59 ASN HD21 . . 4.280 4.291 4.280 4.297 0.017 29 0 "[ . 1 . 2 . 3 .]" 1
683 1 39 GLU HB3 1 59 ASN HD22 . . 5.170 4.969 4.772 5.175 0.005 30 0 "[ . 1 . 2 . 3 .]" 1
684 1 39 GLU HG2 1 59 ASN HD21 . . 5.460 4.573 4.391 4.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
685 1 40 GLU H 1 40 GLU HB2 . . 3.000 2.396 2.300 2.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
686 1 40 GLU H 1 40 GLU HG2 . . 4.360 3.941 3.526 4.149 . 0 0 "[ . 1 . 2 . 3 .]" 1
687 1 40 GLU H 1 40 GLU QG . . 3.510 2.784 2.424 3.053 . 0 0 "[ . 1 . 2 . 3 .]" 1
688 1 40 GLU H 1 40 GLU HG3 . . 4.360 2.847 2.468 3.148 . 0 0 "[ . 1 . 2 . 3 .]" 1
689 1 40 GLU H 1 41 PHE H . . 4.500 4.532 4.512 4.547 0.047 8 0 "[ . 1 . 2 . 3 .]" 1
690 1 40 GLU H 1 41 PHE QD . . 4.650 4.650 4.559 4.684 0.034 30 0 "[ . 1 . 2 . 3 .]" 1
691 1 40 GLU H 1 41 PHE QE . . 5.220 4.778 4.713 4.851 . 0 0 "[ . 1 . 2 . 3 .]" 1
692 1 40 GLU HA 1 40 GLU HB3 . . 2.900 2.533 2.411 2.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
693 1 40 GLU HA 1 40 GLU HG2 . . 3.580 2.396 2.250 2.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
694 1 40 GLU HA 1 40 GLU QG . . 3.040 2.280 2.154 2.426 . 0 0 "[ . 1 . 2 . 3 .]" 1
695 1 40 GLU HA 1 40 GLU HG3 . . 3.580 2.878 2.643 3.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
696 1 40 GLU HA 1 41 PHE H . . 2.770 2.105 2.066 2.167 . 0 0 "[ . 1 . 2 . 3 .]" 1
697 1 40 GLU HA 1 41 PHE QD . . 3.510 3.475 3.348 3.541 0.031 35 0 "[ . 1 . 2 . 3 .]" 1
698 1 40 GLU HA 1 66 ILE MD . . 4.360 3.799 3.683 3.963 . 0 0 "[ . 1 . 2 . 3 .]" 1
699 1 40 GLU HB3 1 41 PHE H . . 3.410 3.222 3.132 3.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
700 1 40 GLU HB3 1 66 ILE MD . . 3.720 3.282 2.910 3.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
701 1 40 GLU HB3 1 66 ILE HG13 . . 5.490 4.627 4.274 4.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
702 1 40 GLU QG 1 41 PHE H . . 4.470 3.805 3.471 4.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
703 1 40 GLU QG 1 66 ILE MD . . 4.070 2.616 2.255 3.162 . 0 0 "[ . 1 . 2 . 3 .]" 1
704 1 41 PHE H 1 41 PHE HB2 . . 3.410 2.622 2.601 2.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
705 1 41 PHE H 1 41 PHE HB3 . . 3.790 3.767 3.753 3.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
706 1 41 PHE H 1 41 PHE QD . . 3.130 2.925 2.865 2.969 . 0 0 "[ . 1 . 2 . 3 .]" 1
707 1 41 PHE H 1 41 PHE QE . . 4.970 4.981 4.972 4.988 0.018 8 0 "[ . 1 . 2 . 3 .]" 1
708 1 41 PHE H 1 42 GLU H . . 4.510 4.478 4.434 4.512 0.002 5 0 "[ . 1 . 2 . 3 .]" 1
709 1 41 PHE H 1 42 GLU HA . . 4.960 4.992 4.976 5.006 0.046 23 0 "[ . 1 . 2 . 3 .]" 1
710 1 41 PHE H 1 57 CYS HB2 . . 5.500 5.531 5.523 5.549 0.049 13 0 "[ . 1 . 2 . 3 .]" 1
711 1 41 PHE H 1 63 GLY HA3 . . 5.380 5.403 5.368 5.425 0.045 7 0 "[ . 1 . 2 . 3 .]" 1
712 1 41 PHE H 1 66 ILE MD . . 4.640 4.050 3.909 4.163 . 0 0 "[ . 1 . 2 . 3 .]" 1
713 1 41 PHE HA 1 41 PHE QD . . 3.130 3.011 2.888 3.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
714 1 41 PHE HA 1 41 PHE QE . . 5.500 4.651 4.614 4.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
715 1 41 PHE HA 1 42 GLU H . . 2.640 2.341 2.251 2.410 . 0 0 "[ . 1 . 2 . 3 .]" 1
716 1 41 PHE HA 1 43 VAL MG2 . . 5.440 5.421 5.281 5.459 0.019 27 0 "[ . 1 . 2 . 3 .]" 1
717 1 41 PHE HB2 1 42 GLU H . . 3.590 3.653 3.630 3.689 0.099 26 0 "[ . 1 . 2 . 3 .]" 1
718 1 41 PHE HB2 1 43 VAL MG2 . . 4.760 3.926 3.800 4.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
719 1 41 PHE HB2 1 57 CYS HB3 . . 5.380 2.669 2.606 2.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
720 1 41 PHE HB3 1 42 GLU H . . 3.400 2.444 2.406 2.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
721 1 41 PHE HB3 1 43 VAL MG2 . . 4.780 4.010 3.880 4.167 . 0 0 "[ . 1 . 2 . 3 .]" 1
722 1 41 PHE QD 1 42 GLU H . . 3.650 3.644 3.575 3.671 0.021 28 0 "[ . 1 . 2 . 3 .]" 1
723 1 41 PHE QD 1 57 CYS HA . . 4.630 4.420 4.319 4.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
724 1 41 PHE QD 1 57 CYS HB2 . . 4.060 3.473 3.406 3.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
725 1 41 PHE QD 1 57 CYS HB3 . . 3.280 2.350 2.218 2.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
726 1 41 PHE QD 1 58 ARG QB . . 3.430 2.738 2.412 3.454 0.024 15 0 "[ . 1 . 2 . 3 .]" 1
727 1 41 PHE QD 1 58 ARG QD . . 3.500 2.707 2.350 3.591 0.091 18 0 "[ . 1 . 2 . 3 .]" 1
728 1 41 PHE QD 1 58 ARG QG . . 3.160 3.025 2.514 3.211 0.051 13 0 "[ . 1 . 2 . 3 .]" 1
729 1 41 PHE QD 1 59 ASN H . . 4.580 3.753 3.642 3.856 . 0 0 "[ . 1 . 2 . 3 .]" 1
730 1 41 PHE QD 1 59 ASN HA . . 5.500 5.605 5.560 5.642 0.142 35 0 "[ . 1 . 2 . 3 .]" 1
731 1 41 PHE QD 1 59 ASN HB2 . . 4.720 4.110 4.002 4.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
732 1 41 PHE QD 1 59 ASN QB . . 3.920 3.685 3.608 3.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
733 1 41 PHE QD 1 59 ASN HB3 . . 4.720 4.165 4.086 4.249 . 0 0 "[ . 1 . 2 . 3 .]" 1
734 1 41 PHE QD 1 63 GLY HA3 . . 5.330 5.253 5.092 5.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
735 1 41 PHE QE 1 57 CYS HB2 . . 4.750 4.360 4.277 4.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
736 1 41 PHE QE 1 58 ARG QG . . 4.400 4.207 2.480 4.402 0.002 9 0 "[ . 1 . 2 . 3 .]" 1
737 1 41 PHE QE 1 59 ASN H . . 4.900 3.271 3.084 3.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
738 1 41 PHE QE 1 59 ASN HA . . 4.620 4.150 4.043 4.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
739 1 41 PHE QE 1 59 ASN HB2 . . 3.840 2.186 2.120 2.240 . 0 0 "[ . 1 . 2 . 3 .]" 1
740 1 41 PHE QE 1 59 ASN QB . . 3.270 2.127 2.048 2.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
741 1 41 PHE QE 1 59 ASN HB3 . . 3.840 2.919 2.711 3.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
742 1 41 PHE QE 1 59 ASN HD21 . . 3.660 3.431 3.288 3.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
743 1 41 PHE QE 1 61 MET H . . 5.500 5.520 5.501 5.545 0.045 1 0 "[ . 1 . 2 . 3 .]" 1
744 1 42 GLU H 1 42 GLU HB2 . . 2.950 2.761 2.644 2.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
745 1 42 GLU H 1 42 GLU HB3 . . 3.860 3.758 3.707 3.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
746 1 42 GLU H 1 42 GLU HG3 . . 3.190 3.151 2.925 3.275 0.085 22 0 "[ . 1 . 2 . 3 .]" 1
747 1 42 GLU H 1 43 VAL H . . 4.580 4.456 4.383 4.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
748 1 42 GLU H 1 43 VAL MG2 . . 4.550 4.280 4.150 4.352 . 0 0 "[ . 1 . 2 . 3 .]" 1
749 1 42 GLU H 1 44 PRO HD3 . . 5.500 5.539 5.437 5.601 0.101 34 0 "[ . 1 . 2 . 3 .]" 1
750 1 42 GLU HA 1 42 GLU HG2 . . 3.620 3.503 3.097 3.641 0.021 11 0 "[ . 1 . 2 . 3 .]" 1
751 1 42 GLU HA 1 42 GLU HG3 . . 3.530 2.630 2.481 2.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
752 1 42 GLU HA 1 43 VAL H . . 2.850 2.143 2.119 2.176 . 0 0 "[ . 1 . 2 . 3 .]" 1
753 1 42 GLU HA 1 43 VAL HA . . 5.500 4.475 4.447 4.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
754 1 42 GLU HA 1 43 VAL MG2 . . 3.990 3.534 3.489 3.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
755 1 42 GLU HB2 1 43 VAL H . . 4.390 3.977 3.861 4.156 . 0 0 "[ . 1 . 2 . 3 .]" 1
756 1 42 GLU HB2 1 43 VAL MG2 . . 5.500 5.060 4.963 5.162 . 0 0 "[ . 1 . 2 . 3 .]" 1
757 1 42 GLU HB3 1 43 VAL H . . 3.840 3.101 2.968 3.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
758 1 42 GLU HB3 1 44 PRO HD3 . . 5.200 4.179 3.954 4.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
759 1 42 GLU HG3 1 43 VAL H . . 4.850 4.635 4.426 4.809 . 0 0 "[ . 1 . 2 . 3 .]" 1
760 1 43 VAL H 1 43 VAL HB . . 3.400 2.746 2.652 2.828 . 0 0 "[ . 1 . 2 . 3 .]" 1
761 1 43 VAL H 1 43 VAL MG1 . . 4.030 3.932 3.882 3.963 . 0 0 "[ . 1 . 2 . 3 .]" 1
762 1 43 VAL H 1 43 VAL MG2 . . 3.450 2.730 2.645 2.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
763 1 43 VAL H 1 44 PRO HD3 . . 4.370 3.997 3.807 4.304 . 0 0 "[ . 1 . 2 . 3 .]" 1
764 1 43 VAL HA 1 43 VAL MG1 . . 3.400 2.347 2.330 2.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
765 1 43 VAL HA 1 43 VAL MG2 . . 3.460 2.495 2.471 2.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
766 1 43 VAL HA 1 44 PRO HA . . 4.690 4.569 4.551 4.585 . 0 0 "[ . 1 . 2 . 3 .]" 1
767 1 43 VAL HA 1 44 PRO HD2 . . 2.980 2.336 2.066 2.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
768 1 43 VAL HA 1 44 PRO HG2 . . 5.260 4.466 4.271 4.619 . 0 0 "[ . 1 . 2 . 3 .]" 1
769 1 43 VAL HA 1 44 PRO QG . . 4.450 3.979 3.916 4.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
770 1 43 VAL HA 1 44 PRO HG3 . . 5.260 4.483 4.399 4.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
771 1 43 VAL HA 1 45 PHE QD . . 5.500 5.220 5.141 5.318 . 0 0 "[ . 1 . 2 . 3 .]" 1
772 1 43 VAL HA 1 45 PHE QE . . 5.270 4.957 4.873 5.062 . 0 0 "[ . 1 . 2 . 3 .]" 1
773 1 43 VAL HA 1 55 TRP HE1 . . 5.500 5.081 4.941 5.282 . 0 0 "[ . 1 . 2 . 3 .]" 1
774 1 43 VAL HB 1 45 PHE QD . . 3.900 3.618 3.538 3.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
775 1 43 VAL HB 1 45 PHE QE . . 3.250 2.365 2.281 2.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
776 1 43 VAL HB 1 45 PHE HZ . . 4.350 4.300 4.152 4.365 0.015 7 0 "[ . 1 . 2 . 3 .]" 1
777 1 43 VAL HB 1 55 TRP HB2 . . 5.050 5.051 4.975 5.085 0.035 6 0 "[ . 1 . 2 . 3 .]" 1
778 1 43 VAL HB 1 55 TRP HE1 . . 4.920 4.974 4.946 4.990 0.070 12 0 "[ . 1 . 2 . 3 .]" 1
779 1 43 VAL MG1 1 44 PRO HA . . 4.610 4.225 4.172 4.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
780 1 43 VAL MG1 1 44 PRO HD2 . . 3.620 3.129 2.887 3.342 . 0 0 "[ . 1 . 2 . 3 .]" 1
781 1 43 VAL MG1 1 44 PRO QG . . 5.350 4.393 3.921 4.725 . 0 0 "[ . 1 . 2 . 3 .]" 1
782 1 43 VAL MG1 1 45 PHE QD . . 3.650 3.127 3.036 3.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
783 1 43 VAL MG1 1 45 PHE QE . . 3.280 2.472 2.386 2.573 . 0 0 "[ . 1 . 2 . 3 .]" 1
784 1 43 VAL MG1 1 45 PHE HZ . . 3.580 2.998 2.863 3.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
785 1 43 VAL MG1 1 55 TRP HB2 . . 5.500 4.158 4.060 4.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
786 1 43 VAL MG1 1 55 TRP HD1 . . 3.800 2.961 2.859 3.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
787 1 43 VAL MG1 1 55 TRP HE1 . . 3.250 2.504 2.427 2.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
788 1 43 VAL MG1 1 55 TRP HE3 . . 4.980 4.755 4.647 4.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
789 1 43 VAL MG1 1 55 TRP HH2 . . 5.370 5.110 5.032 5.209 . 0 0 "[ . 1 . 2 . 3 .]" 1
790 1 43 VAL MG1 1 55 TRP HZ2 . . 3.910 3.795 3.746 3.849 . 0 0 "[ . 1 . 2 . 3 .]" 1
791 1 43 VAL MG2 1 44 PRO HD2 . . 4.730 4.291 3.992 4.567 . 0 0 "[ . 1 . 2 . 3 .]" 1
792 1 43 VAL MG2 1 44 PRO HD3 . . 5.310 4.424 4.278 4.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
793 1 43 VAL MG2 1 45 PHE QE . . 4.010 3.576 3.502 3.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
794 1 43 VAL MG2 1 45 PHE HZ . . 4.950 4.393 4.263 4.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
795 1 43 VAL MG2 1 55 TRP H . . 5.460 5.276 5.130 5.461 0.001 7 0 "[ . 1 . 2 . 3 .]" 1
796 1 43 VAL MG2 1 55 TRP HB2 . . 5.500 3.983 3.856 4.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
797 1 43 VAL MG2 1 55 TRP HD1 . . 3.340 2.072 2.045 2.103 . 0 0 "[ . 1 . 2 . 3 .]" 1
798 1 43 VAL MG2 1 55 TRP HE1 . . 3.170 3.189 3.175 3.217 0.047 19 0 "[ . 1 . 2 . 3 .]" 1
799 1 43 VAL MG2 1 57 CYS HA . . 5.140 3.561 3.397 3.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
800 1 44 PRO HA 1 45 PHE H . . 2.770 2.116 2.076 2.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
801 1 44 PRO HA 1 45 PHE HB2 . . 4.790 4.411 4.369 4.460 . 0 0 "[ . 1 . 2 . 3 .]" 1
802 1 44 PRO HA 1 45 PHE QD . . 4.130 3.803 3.698 3.886 . 0 0 "[ . 1 . 2 . 3 .]" 1
803 1 44 PRO QB 1 45 PHE H . . 3.690 3.397 3.289 3.549 . 0 0 "[ . 1 . 2 . 3 .]" 1
804 1 44 PRO HD2 1 45 PHE H . . 5.500 5.353 5.229 5.509 0.009 23 0 "[ . 1 . 2 . 3 .]" 1
805 1 44 PRO HD3 1 45 PHE H . . 5.500 5.566 5.516 5.608 0.108 9 0 "[ . 1 . 2 . 3 .]" 1
806 1 45 PHE H 1 45 PHE HB2 . . 3.540 2.406 2.301 2.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
807 1 45 PHE H 1 45 PHE HB3 . . 3.650 3.633 3.566 3.677 0.027 6 0 "[ . 1 . 2 . 3 .]" 1
808 1 45 PHE H 1 45 PHE QD . . 3.430 2.815 2.592 3.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
809 1 45 PHE H 1 46 ALA H . . 4.560 4.544 4.509 4.586 0.026 21 0 "[ . 1 . 2 . 3 .]" 1
810 1 45 PHE H 1 46 ALA HA . . 5.310 5.147 5.053 5.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
811 1 45 PHE H 1 51 ILE MD . . 4.510 3.792 3.608 3.999 . 0 0 "[ . 1 . 2 . 3 .]" 1
812 1 45 PHE HA 1 45 PHE QD . . 3.060 3.040 2.990 3.070 0.010 1 0 "[ . 1 . 2 . 3 .]" 1
813 1 45 PHE HA 1 45 PHE QE . . 4.680 4.635 4.597 4.686 0.006 23 0 "[ . 1 . 2 . 3 .]" 1
814 1 45 PHE HA 1 46 ALA H . . 2.710 2.245 2.188 2.304 . 0 0 "[ . 1 . 2 . 3 .]" 1
815 1 45 PHE HA 1 46 ALA MB . . 5.500 4.002 3.896 4.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
816 1 45 PHE HA 1 49 ALA MB . . 4.700 3.709 3.580 3.787 . 0 0 "[ . 1 . 2 . 3 .]" 1
817 1 45 PHE HB2 1 46 ALA H . . 4.080 4.108 4.070 4.127 0.047 15 0 "[ . 1 . 2 . 3 .]" 1
818 1 45 PHE HB2 1 46 ALA HA . . 5.500 5.272 5.200 5.351 . 0 0 "[ . 1 . 2 . 3 .]" 1
819 1 45 PHE HB2 1 49 ALA MB . . 4.520 4.270 4.208 4.353 . 0 0 "[ . 1 . 2 . 3 .]" 1
820 1 45 PHE HB2 1 51 ILE MD . . 4.480 2.326 2.242 2.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
821 1 45 PHE HB2 1 51 ILE HG12 . . 5.370 4.611 4.467 4.736 . 0 0 "[ . 1 . 2 . 3 .]" 1
822 1 45 PHE HB3 1 46 ALA H . . 3.650 2.958 2.876 2.993 . 0 0 "[ . 1 . 2 . 3 .]" 1
823 1 45 PHE HB3 1 49 ALA H . . 4.790 4.525 4.415 4.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
824 1 45 PHE HB3 1 49 ALA MB . . 3.950 2.734 2.661 2.825 . 0 0 "[ . 1 . 2 . 3 .]" 1
825 1 45 PHE HB3 1 51 ILE H . . 5.500 5.052 4.809 5.505 0.005 23 0 "[ . 1 . 2 . 3 .]" 1
826 1 45 PHE HB3 1 51 ILE MD . . 4.380 3.001 2.853 3.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
827 1 45 PHE HB3 1 51 ILE HG12 . . 5.360 5.125 4.952 5.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
828 1 45 PHE QD 1 46 ALA H . . 3.750 3.753 3.694 3.772 0.022 7 0 "[ . 1 . 2 . 3 .]" 1
829 1 45 PHE QD 1 49 ALA HA . . 4.830 4.831 4.759 4.845 0.015 17 0 "[ . 1 . 2 . 3 .]" 1
830 1 45 PHE QD 1 49 ALA MB . . 2.980 2.289 2.232 2.344 . 0 0 "[ . 1 . 2 . 3 .]" 1
831 1 45 PHE QD 1 51 ILE HA . . 4.090 3.964 3.887 4.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
832 1 45 PHE QD 1 51 ILE MD . . 3.270 2.348 2.288 2.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
833 1 45 PHE QD 1 51 ILE HG12 . . 5.160 4.937 4.871 5.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
834 1 45 PHE QD 1 51 ILE HG13 . . 4.920 4.890 4.835 4.931 0.011 21 0 "[ . 1 . 2 . 3 .]" 1
835 1 45 PHE QD 1 51 ILE MG . . 3.780 3.747 3.651 3.795 0.015 4 0 "[ . 1 . 2 . 3 .]" 1
836 1 45 PHE QD 1 52 PRO HD2 . . 4.560 4.412 4.329 4.544 . 0 0 "[ . 1 . 2 . 3 .]" 1
837 1 45 PHE QD 1 52 PRO HD3 . . 4.560 4.245 4.071 4.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
838 1 45 PHE QE 1 49 ALA MB . . 3.810 3.722 3.596 3.818 0.008 29 0 "[ . 1 . 2 . 3 .]" 1
839 1 45 PHE QE 1 51 ILE H . . 5.500 5.513 5.457 5.559 0.059 1 0 "[ . 1 . 2 . 3 .]" 1
840 1 45 PHE QE 1 51 ILE HA . . 4.050 3.610 3.496 3.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
841 1 45 PHE QE 1 51 ILE MD . . 3.880 3.143 3.047 3.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
842 1 45 PHE QE 1 51 ILE MG . . 3.400 3.117 3.032 3.318 . 0 0 "[ . 1 . 2 . 3 .]" 1
843 1 45 PHE QE 1 52 PRO HD2 . . 3.760 3.093 2.969 3.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
844 1 45 PHE QE 1 52 PRO HD3 . . 3.760 2.918 2.787 3.113 . 0 0 "[ . 1 . 2 . 3 .]" 1
845 1 45 PHE QE 1 52 PRO HG2 . . 4.280 4.096 3.968 4.258 . 0 0 "[ . 1 . 2 . 3 .]" 1
846 1 45 PHE QE 1 52 PRO HG3 . . 3.700 3.489 3.313 3.704 0.004 30 0 "[ . 1 . 2 . 3 .]" 1
847 1 45 PHE QE 1 55 TRP HB2 . . 4.650 4.067 3.987 4.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
848 1 45 PHE QE 1 55 TRP HE3 . . 4.000 3.706 3.510 3.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
849 1 45 PHE QE 1 55 TRP HH2 . . 4.080 3.716 3.526 3.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
850 1 45 PHE QE 1 55 TRP HZ3 . . 3.530 3.082 2.911 3.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
851 1 45 PHE HZ 1 51 ILE HA . . 4.280 3.885 3.707 3.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
852 1 45 PHE HZ 1 51 ILE MG . . 4.410 3.941 3.843 4.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
853 1 45 PHE HZ 1 52 PRO HD2 . . 4.060 2.604 2.492 2.721 . 0 0 "[ . 1 . 2 . 3 .]" 1
854 1 45 PHE HZ 1 52 PRO QD . . 3.480 2.547 2.452 2.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
855 1 45 PHE HZ 1 52 PRO HD3 . . 4.060 3.611 3.485 3.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
856 1 45 PHE HZ 1 52 PRO HG2 . . 4.400 3.301 3.160 3.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
857 1 45 PHE HZ 1 52 PRO HG3 . . 4.090 3.637 3.530 3.763 . 0 0 "[ . 1 . 2 . 3 .]" 1
858 1 45 PHE HZ 1 55 TRP HB2 . . 4.690 3.117 2.996 3.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
859 1 45 PHE HZ 1 55 TRP HD1 . . 4.790 4.824 4.802 4.857 0.067 6 0 "[ . 1 . 2 . 3 .]" 1
860 1 45 PHE HZ 1 55 TRP HE3 . . 3.770 2.885 2.787 3.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
861 1 45 PHE HZ 1 55 TRP HH2 . . 4.890 4.796 4.689 4.894 0.004 12 0 "[ . 1 . 2 . 3 .]" 1
862 1 45 PHE HZ 1 55 TRP HZ3 . . 4.070 3.918 3.847 3.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
863 1 46 ALA H 1 46 ALA MB . . 2.710 2.287 2.242 2.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
864 1 46 ALA H 1 47 ASP H . . 4.620 4.633 4.611 4.646 0.026 16 0 "[ . 1 . 2 . 3 .]" 1
865 1 46 ALA H 1 48 ASP H . . 4.740 4.756 4.662 4.796 0.056 9 0 "[ . 1 . 2 . 3 .]" 1
866 1 46 ALA H 1 49 ALA H . . 4.450 4.067 3.927 4.173 . 0 0 "[ . 1 . 2 . 3 .]" 1
867 1 46 ALA HA 1 47 ASP H . . 2.600 2.356 2.315 2.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
868 1 46 ALA HA 1 48 ASP H . . 4.120 4.139 4.090 4.206 0.086 22 0 "[ . 1 . 2 . 3 .]" 1
869 1 46 ALA MB 1 47 ASP H . . 2.890 2.612 2.451 2.721 . 0 0 "[ . 1 . 2 . 3 .]" 1
870 1 46 ALA MB 1 48 ASP H . . 2.960 2.647 2.544 2.793 . 0 0 "[ . 1 . 2 . 3 .]" 1
871 1 47 ASP H 1 47 ASP QB . . 2.960 2.182 2.136 2.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
872 1 47 ASP H 1 48 ASP H . . 3.240 2.845 2.707 2.907 . 0 0 "[ . 1 . 2 . 3 .]" 1
873 1 47 ASP H 1 49 ALA H . . 4.260 4.289 4.264 4.329 0.069 29 0 "[ . 1 . 2 . 3 .]" 1
874 1 47 ASP QB 1 48 ASP H . . 3.340 3.089 2.869 3.495 0.155 9 0 "[ . 1 . 2 . 3 .]" 1
875 1 48 ASP H 1 48 ASP QB . . 2.860 2.281 2.197 2.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
876 1 48 ASP H 1 49 ALA H . . 2.760 2.547 2.391 2.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
877 1 48 ASP HA 1 48 ASP HB2 . . 3.020 2.482 2.360 2.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
878 1 48 ASP HA 1 48 ASP HB3 . . 3.020 2.936 2.445 3.038 0.018 31 0 "[ . 1 . 2 . 3 .]" 1
879 1 48 ASP HB2 1 49 ALA H . . 4.210 4.230 4.213 4.263 0.053 18 0 "[ . 1 . 2 . 3 .]" 1
880 1 48 ASP HB3 1 49 ALA H . . 4.210 3.480 3.249 4.264 0.054 12 0 "[ . 1 . 2 . 3 .]" 1
881 1 49 ALA H 1 49 ALA MB . . 2.720 2.429 2.361 2.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
882 1 49 ALA H 1 50 GLU H . . 4.610 4.506 4.465 4.548 . 0 0 "[ . 1 . 2 . 3 .]" 1
883 1 49 ALA H 1 50 GLU HA . . 5.110 5.082 4.995 5.153 0.043 12 0 "[ . 1 . 2 . 3 .]" 1
884 1 49 ALA HA 1 50 GLU H . . 2.550 2.397 2.325 2.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
885 1 49 ALA HA 1 50 GLU HA . . 5.150 4.568 4.533 4.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
886 1 49 ALA MB 1 50 GLU H . . 2.910 2.413 2.208 2.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
887 1 49 ALA MB 1 50 GLU HA . . 5.130 3.999 3.910 4.090 . 0 0 "[ . 1 . 2 . 3 .]" 1
888 1 49 ALA MB 1 50 GLU QB . . 4.920 4.542 4.403 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
889 1 49 ALA MB 1 51 ILE MD . . 4.730 4.412 4.233 4.585 . 0 0 "[ . 1 . 2 . 3 .]" 1
890 1 49 ALA MB 1 52 PRO QD . . 5.170 4.511 4.280 4.759 . 0 0 "[ . 1 . 2 . 3 .]" 1
891 1 50 GLU H 1 50 GLU QB . . 3.060 2.825 2.611 3.096 0.036 13 0 "[ . 1 . 2 . 3 .]" 1
892 1 50 GLU H 1 50 GLU QG . . 3.350 3.006 2.382 3.351 0.001 10 0 "[ . 1 . 2 . 3 .]" 1
893 1 50 GLU HA 1 51 ILE H . . 2.860 2.221 2.098 2.475 . 0 0 "[ . 1 . 2 . 3 .]" 1
894 1 50 GLU QB 1 50 GLU QG . . 2.350 2.117 2.024 2.127 . 0 0 "[ . 1 . 2 . 3 .]" 1
895 1 50 GLU QB 1 51 ILE H . . 3.320 2.715 2.307 2.993 . 0 0 "[ . 1 . 2 . 3 .]" 1
896 1 50 GLU QG 1 51 ILE H . . 4.060 3.617 3.327 3.804 . 0 0 "[ . 1 . 2 . 3 .]" 1
897 1 50 GLU HG2 1 51 ILE H . . 4.700 4.100 3.501 4.727 0.027 3 0 "[ . 1 . 2 . 3 .]" 1
898 1 50 GLU HG3 1 51 ILE H . . 4.700 4.357 3.504 4.763 0.063 22 0 "[ . 1 . 2 . 3 .]" 1
899 1 51 ILE H 1 51 ILE HB . . 2.830 2.765 2.655 2.833 0.003 21 0 "[ . 1 . 2 . 3 .]" 1
900 1 51 ILE H 1 51 ILE MD . . 3.390 2.737 2.522 3.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
901 1 51 ILE H 1 51 ILE HG12 . . 2.980 1.865 1.789 2.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
902 1 51 ILE H 1 51 ILE HG13 . . 3.840 3.447 3.373 3.641 . 0 0 "[ . 1 . 2 . 3 .]" 1
903 1 51 ILE H 1 52 PRO HD2 . . 4.600 4.681 4.669 4.694 0.094 12 0 "[ . 1 . 2 . 3 .]" 1
904 1 51 ILE H 1 52 PRO QD . . 3.990 4.029 4.000 4.049 0.059 24 0 "[ . 1 . 2 . 3 .]" 1
905 1 51 ILE H 1 52 PRO HD3 . . 4.600 4.395 4.345 4.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
906 1 51 ILE HA 1 51 ILE MD . . 3.680 2.406 2.382 2.442 . 0 0 "[ . 1 . 2 . 3 .]" 1
907 1 51 ILE HA 1 51 ILE HG12 . . 4.230 3.358 3.343 3.373 . 0 0 "[ . 1 . 2 . 3 .]" 1
908 1 51 ILE HA 1 51 ILE MG . . 3.350 2.318 2.282 2.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
909 1 51 ILE HA 1 52 PRO HB2 . . 5.500 5.556 5.547 5.563 0.063 16 0 "[ . 1 . 2 . 3 .]" 1
910 1 51 ILE HA 1 52 PRO HD2 . . 3.250 1.998 1.974 2.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
911 1 51 ILE HA 1 52 PRO HD3 . . 3.250 2.470 2.408 2.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
912 1 51 ILE HA 1 52 PRO HG2 . . 4.820 4.226 4.193 4.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
913 1 51 ILE HA 1 52 PRO HG3 . . 4.660 4.481 4.458 4.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
914 1 51 ILE HA 1 55 TRP HE3 . . 5.500 5.568 5.542 5.588 0.088 35 0 "[ . 1 . 2 . 3 .]" 1
915 1 51 ILE HB 1 51 ILE MD . . 3.420 3.286 3.278 3.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
916 1 51 ILE HB 1 52 PRO QD . . 5.150 4.179 4.137 4.225 . 0 0 "[ . 1 . 2 . 3 .]" 1
917 1 51 ILE HB 1 53 GLY H . . 6.000 6.044 6.027 6.070 0.070 21 0 "[ . 1 . 2 . 3 .]" 1
918 1 51 ILE HB 1 65 LEU QD . . 4.490 2.956 2.627 3.248 . 0 0 "[ . 1 . 2 . 3 .]" 1
919 1 51 ILE MD 1 51 ILE MG . . 2.980 2.098 2.074 2.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
920 1 51 ILE MD 1 52 PRO HD2 . . 5.160 3.783 3.745 3.859 . 0 0 "[ . 1 . 2 . 3 .]" 1
921 1 51 ILE MD 1 52 PRO QD . . 4.510 3.548 3.508 3.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
922 1 51 ILE MD 1 52 PRO HD3 . . 5.160 4.290 4.220 4.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
923 1 51 ILE MD 1 65 LEU MD1 . . 5.130 4.198 3.745 4.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
924 1 51 ILE MD 1 65 LEU QD . . 4.040 3.971 3.574 4.235 0.195 6 0 "[ . 1 . 2 . 3 .]" 1
925 1 51 ILE MD 1 65 LEU MD2 . . 5.130 4.909 4.520 5.150 0.020 27 0 "[ . 1 . 2 . 3 .]" 1
926 1 51 ILE HG12 1 52 PRO HD2 . . 5.500 5.318 5.301 5.335 . 0 0 "[ . 1 . 2 . 3 .]" 1
927 1 51 ILE HG12 1 52 PRO QD . . 4.850 4.848 4.831 4.866 0.016 6 0 "[ . 1 . 2 . 3 .]" 1
928 1 51 ILE HG12 1 52 PRO HD3 . . 5.500 5.588 5.566 5.616 0.116 6 0 "[ . 1 . 2 . 3 .]" 1
929 1 51 ILE HG13 1 65 LEU QD . . 4.820 3.632 3.482 3.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
930 1 51 ILE MG 1 52 PRO HB3 . . 5.500 5.331 5.284 5.477 . 0 0 "[ . 1 . 2 . 3 .]" 1
931 1 51 ILE MG 1 52 PRO HD2 . . 4.280 2.790 2.676 2.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
932 1 51 ILE MG 1 52 PRO QD . . 3.620 2.736 2.629 2.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
933 1 51 ILE MG 1 52 PRO HD3 . . 4.280 3.953 3.857 4.115 . 0 0 "[ . 1 . 2 . 3 .]" 1
934 1 51 ILE MG 1 52 PRO HG3 . . 5.500 5.014 4.938 5.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
935 1 51 ILE MG 1 53 GLY HA2 . . 4.960 4.317 4.183 4.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
936 1 51 ILE MG 1 54 THR H . . 5.410 5.244 5.196 5.327 . 0 0 "[ . 1 . 2 . 3 .]" 1
937 1 51 ILE MG 1 54 THR HA . . 5.160 5.331 5.305 5.363 0.203 12 0 "[ . 1 . 2 . 3 .]" 1
938 1 51 ILE MG 1 55 TRP HE3 . . 5.500 5.453 5.366 5.507 0.007 22 0 "[ . 1 . 2 . 3 .]" 1
939 1 51 ILE MG 1 65 LEU HB2 . . 3.880 3.502 3.423 3.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
940 1 51 ILE MG 1 65 LEU QD . . 3.000 1.923 1.772 2.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
941 1 52 PRO HA 1 53 GLY HA2 . . 5.320 4.388 4.366 4.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
942 1 52 PRO HA 1 54 THR H . . 4.480 4.289 4.249 4.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
943 1 52 PRO HB2 1 53 GLY H . . 3.910 3.110 3.083 3.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
944 1 52 PRO HB2 1 54 THR H . . 3.380 2.766 2.636 2.850 . 0 0 "[ . 1 . 2 . 3 .]" 1
945 1 52 PRO HB2 1 55 TRP HB2 . . 5.040 4.808 4.749 4.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
946 1 52 PRO HB2 1 55 TRP HE3 . . 3.990 3.995 3.943 4.011 0.021 19 0 "[ . 1 . 2 . 3 .]" 1
947 1 52 PRO HB2 1 55 TRP HZ3 . . 5.240 5.200 5.099 5.246 0.006 19 0 "[ . 1 . 2 . 3 .]" 1
948 1 52 PRO HB3 1 53 GLY H . . 4.310 3.785 3.732 3.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
949 1 52 PRO HB3 1 55 TRP HE3 . . 4.450 4.427 4.390 4.456 0.006 6 0 "[ . 1 . 2 . 3 .]" 1
950 1 52 PRO HB3 1 55 TRP HZ3 . . 5.000 4.779 4.670 4.831 . 0 0 "[ . 1 . 2 . 3 .]" 1
951 1 52 PRO QD 1 55 TRP HE3 . . 3.860 3.399 3.379 3.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
952 1 52 PRO QD 1 55 TRP HZ3 . . 4.240 3.883 3.819 3.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
953 1 52 PRO HD2 1 55 TRP HE3 . . 4.430 3.644 3.605 3.669 . 0 0 "[ . 1 . 2 . 3 .]" 1
954 1 52 PRO HD2 1 55 TRP HZ3 . . 4.920 4.662 4.562 4.734 . 0 0 "[ . 1 . 2 . 3 .]" 1
955 1 52 PRO HD3 1 55 TRP HE3 . . 4.430 4.067 3.990 4.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
956 1 52 PRO HD3 1 55 TRP HZ3 . . 4.920 4.155 4.059 4.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
957 1 52 PRO HG2 1 54 THR H . . 4.170 3.773 3.686 3.851 . 0 0 "[ . 1 . 2 . 3 .]" 1
958 1 52 PRO HG2 1 55 TRP HE3 . . 3.540 2.265 2.227 2.293 . 0 0 "[ . 1 . 2 . 3 .]" 1
959 1 52 PRO HG2 1 55 TRP HZ3 . . 4.030 4.025 3.960 4.037 0.007 12 0 "[ . 1 . 2 . 3 .]" 1
960 1 52 PRO HG3 1 55 TRP HB2 . . 5.140 4.218 4.190 4.258 . 0 0 "[ . 1 . 2 . 3 .]" 1
961 1 52 PRO HG3 1 55 TRP HE3 . . 3.360 2.281 2.245 2.306 . 0 0 "[ . 1 . 2 . 3 .]" 1
962 1 52 PRO HG3 1 55 TRP HH2 . . 5.180 5.101 5.004 5.143 . 0 0 "[ . 1 . 2 . 3 .]" 1
963 1 52 PRO HG3 1 55 TRP HZ3 . . 3.760 2.728 2.633 2.754 . 0 0 "[ . 1 . 2 . 3 .]" 1
964 1 53 GLY H 1 53 GLY HA3 . . 2.920 2.301 2.295 2.312 . 0 0 "[ . 1 . 2 . 3 .]" 1
965 1 53 GLY H 1 54 THR H . . 3.670 3.058 3.025 3.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
966 1 53 GLY H 1 54 THR MG . . 5.500 4.965 4.913 5.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
967 1 53 GLY H 1 65 LEU HB2 . . 5.500 5.458 5.316 5.531 0.031 7 0 "[ . 1 . 2 . 3 .]" 1
968 1 53 GLY H 1 65 LEU QD . . 4.550 4.233 3.964 4.425 . 0 0 "[ . 1 . 2 . 3 .]" 1
969 1 53 GLY HA2 1 65 LEU HB2 . . 4.280 3.343 3.236 3.442 . 0 0 "[ . 1 . 2 . 3 .]" 1
970 1 53 GLY HA2 1 65 LEU HB3 . . 4.390 3.221 3.115 3.302 . 0 0 "[ . 1 . 2 . 3 .]" 1
971 1 53 GLY HA2 1 65 LEU QD . . 3.970 2.653 2.471 2.836 . 0 0 "[ . 1 . 2 . 3 .]" 1
972 1 53 GLY HA3 1 54 THR H . . 3.230 2.990 2.983 3.003 . 0 0 "[ . 1 . 2 . 3 .]" 1
973 1 53 GLY HA3 1 54 THR HA . . 4.720 4.655 4.643 4.668 . 0 0 "[ . 1 . 2 . 3 .]" 1
974 1 53 GLY HA3 1 54 THR MG . . 4.690 3.525 3.465 3.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
975 1 53 GLY HA3 1 65 LEU HB2 . . 5.500 4.697 4.606 4.776 . 0 0 "[ . 1 . 2 . 3 .]" 1
976 1 53 GLY HA3 1 65 LEU HB3 . . 5.470 4.620 4.558 4.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
977 1 53 GLY HA3 1 65 LEU QD . . 5.010 4.098 3.926 4.256 . 0 0 "[ . 1 . 2 . 3 .]" 1
978 1 54 THR H 1 54 THR HB . . 3.880 3.910 3.903 3.927 0.047 6 0 "[ . 1 . 2 . 3 .]" 1
979 1 54 THR H 1 54 THR MG . . 3.230 3.083 3.065 3.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
980 1 54 THR H 1 55 TRP H . . 4.650 4.464 4.446 4.477 . 0 0 "[ . 1 . 2 . 3 .]" 1
981 1 54 THR H 1 55 TRP HA . . 5.200 5.047 5.019 5.065 . 0 0 "[ . 1 . 2 . 3 .]" 1
982 1 54 THR H 1 64 THR HA . . 5.280 5.061 5.023 5.098 . 0 0 "[ . 1 . 2 . 3 .]" 1
983 1 54 THR H 1 64 THR MG . . 5.070 5.111 5.099 5.122 0.052 7 0 "[ . 1 . 2 . 3 .]" 1
984 1 54 THR H 1 65 LEU H . . 4.820 4.823 4.796 4.839 0.019 30 0 "[ . 1 . 2 . 3 .]" 1
985 1 54 THR H 1 65 LEU HB2 . . 5.260 4.662 4.557 4.736 . 0 0 "[ . 1 . 2 . 3 .]" 1
986 1 54 THR H 1 65 LEU QD . . 5.440 4.743 4.610 4.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
987 1 54 THR HA 1 54 THR HB . . 2.670 2.523 2.504 2.542 . 0 0 "[ . 1 . 2 . 3 .]" 1
988 1 54 THR HA 1 54 THR MG . . 2.720 2.511 2.477 2.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
989 1 54 THR HA 1 55 TRP H . . 2.620 2.398 2.385 2.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
990 1 54 THR HA 1 55 TRP HA . . 4.790 4.595 4.579 4.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
991 1 54 THR HA 1 55 TRP HB2 . . 4.390 4.194 4.150 4.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
992 1 54 THR HA 1 64 THR H . . 5.290 5.095 5.042 5.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
993 1 54 THR HA 1 64 THR HA . . 2.790 2.450 2.410 2.487 . 0 0 "[ . 1 . 2 . 3 .]" 1
994 1 54 THR HA 1 64 THR HB . . 5.500 5.464 5.435 5.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
995 1 54 THR HA 1 64 THR MG . . 3.720 3.728 3.718 3.736 0.016 27 0 "[ . 1 . 2 . 3 .]" 1
996 1 54 THR HA 1 65 LEU H . . 3.440 2.732 2.706 2.761 . 0 0 "[ . 1 . 2 . 3 .]" 1
997 1 54 THR HA 1 65 LEU HA . . 4.700 4.589 4.507 4.643 . 0 0 "[ . 1 . 2 . 3 .]" 1
998 1 54 THR HA 1 65 LEU HB2 . . 4.720 3.415 3.369 3.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
999 1 54 THR HA 1 65 LEU HB3 . . 4.470 4.527 4.502 4.553 0.083 27 0 "[ . 1 . 2 . 3 .]" 1
1000 1 54 THR HA 1 65 LEU QD . . 5.440 4.527 4.304 4.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
1001 1 54 THR HB 1 55 TRP H . . 2.740 2.481 2.456 2.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
1002 1 54 THR HB 1 55 TRP HB2 . . 5.330 5.296 5.258 5.330 0.000 6 0 "[ . 1 . 2 . 3 .]" 1
1003 1 54 THR HB 1 64 THR HA . . 3.070 3.136 3.114 3.166 0.096 6 0 "[ . 1 . 2 . 3 .]" 1
1004 1 54 THR HB 1 64 THR MG . . 4.860 4.339 4.309 4.371 . 0 0 "[ . 1 . 2 . 3 .]" 1
1005 1 54 THR MG 1 55 TRP H . . 3.820 3.795 3.766 3.819 . 0 0 "[ . 1 . 2 . 3 .]" 1
1006 1 54 THR MG 1 64 THR H . . 4.600 4.379 4.334 4.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
1007 1 54 THR MG 1 64 THR HA . . 2.970 2.059 2.037 2.082 . 0 0 "[ . 1 . 2 . 3 .]" 1
1008 1 54 THR MG 1 64 THR HB . . 4.820 3.897 3.871 3.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
1009 1 54 THR MG 1 64 THR MG . . 3.490 2.107 2.081 2.128 . 0 0 "[ . 1 . 2 . 3 .]" 1
1010 1 54 THR MG 1 65 LEU H . . 3.390 3.084 2.996 3.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
1011 1 55 TRP H 1 55 TRP HB2 . . 3.500 3.310 3.286 3.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
1012 1 55 TRP H 1 55 TRP HB3 . . 3.200 3.022 2.985 3.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
1013 1 55 TRP H 1 55 TRP HE3 . . 5.360 5.364 5.325 5.383 0.023 34 0 "[ . 1 . 2 . 3 .]" 1
1014 1 55 TRP H 1 56 LEU H . . 4.450 4.373 4.359 4.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
1015 1 55 TRP H 1 63 GLY H . . 4.020 3.480 3.390 3.564 . 0 0 "[ . 1 . 2 . 3 .]" 1
1016 1 55 TRP H 1 63 GLY HA2 . . 5.090 4.873 4.842 4.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
1017 1 55 TRP H 1 63 GLY HA3 . . 4.250 4.007 3.965 4.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
1018 1 55 TRP H 1 64 THR H . . 5.200 4.966 4.942 4.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
1019 1 55 TRP H 1 64 THR HA . . 3.680 3.558 3.519 3.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
1020 1 55 TRP HA 1 55 TRP HD1 . . 4.380 4.133 4.115 4.152 . 0 0 "[ . 1 . 2 . 3 .]" 1
1021 1 55 TRP HA 1 55 TRP HE1 . . 5.500 5.506 5.482 5.519 0.019 16 0 "[ . 1 . 2 . 3 .]" 1
1022 1 55 TRP HA 1 55 TRP HE3 . . 3.180 3.159 3.105 3.185 0.005 35 0 "[ . 1 . 2 . 3 .]" 1
1023 1 55 TRP HA 1 56 LEU H . . 2.750 2.320 2.302 2.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
1024 1 55 TRP HB2 1 55 TRP HD1 . . 3.820 3.764 3.748 3.777 . 0 0 "[ . 1 . 2 . 3 .]" 1
1025 1 55 TRP HB2 1 55 TRP HE3 . . 3.410 2.688 2.651 2.737 . 0 0 "[ . 1 . 2 . 3 .]" 1
1026 1 55 TRP HB2 1 56 LEU H . . 4.360 4.145 4.122 4.180 . 0 0 "[ . 1 . 2 . 3 .]" 1
1027 1 55 TRP HB2 1 65 LEU HB2 . . 5.500 5.537 5.515 5.568 0.068 22 0 "[ . 1 . 2 . 3 .]" 1
1028 1 55 TRP HB3 1 55 TRP HE1 . . 4.880 4.734 4.722 4.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
1029 1 55 TRP HB3 1 55 TRP HE3 . . 4.210 4.190 4.168 4.216 0.006 15 0 "[ . 1 . 2 . 3 .]" 1
1030 1 55 TRP HB3 1 56 LEU H . . 4.210 3.837 3.792 3.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
1031 1 55 TRP HD1 1 56 LEU H . . 4.310 3.350 3.288 3.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
1032 1 55 TRP HD1 1 57 CYS H . . 5.240 4.972 4.882 5.059 . 0 0 "[ . 1 . 2 . 3 .]" 1
1033 1 55 TRP HE3 1 56 LEU H . . 4.540 4.549 4.482 4.569 0.029 4 0 "[ . 1 . 2 . 3 .]" 1
1034 1 56 LEU H 1 56 LEU HB2 . . 3.050 2.108 2.087 2.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
1035 1 56 LEU H 1 56 LEU HB3 . . 3.210 3.036 3.015 3.053 . 0 0 "[ . 1 . 2 . 3 .]" 1
1036 1 56 LEU H 1 56 LEU MD1 . . 4.130 4.051 4.024 4.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
1037 1 56 LEU H 1 56 LEU MD2 . . 4.330 4.358 4.353 4.360 0.030 20 0 "[ . 1 . 2 . 3 .]" 1
1038 1 56 LEU H 1 56 LEU HG . . 3.960 3.973 3.964 3.980 0.020 33 0 "[ . 1 . 2 . 3 .]" 1
1039 1 56 LEU H 1 57 CYS H . . 4.790 4.569 4.539 4.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
1040 1 56 LEU H 1 57 CYS HA . . 5.500 5.509 5.495 5.523 0.023 27 0 "[ . 1 . 2 . 3 .]" 1
1041 1 56 LEU H 1 63 GLY H . . 4.710 4.556 4.514 4.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
1042 1 56 LEU HA 1 56 LEU MD1 . . 4.380 3.739 3.730 3.751 . 0 0 "[ . 1 . 2 . 3 .]" 1
1043 1 56 LEU HA 1 56 LEU MD2 . . 3.170 2.452 2.412 2.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
1044 1 56 LEU HA 1 56 LEU HG . . 4.140 2.358 2.336 2.386 . 0 0 "[ . 1 . 2 . 3 .]" 1
1045 1 56 LEU HA 1 57 CYS H . . 2.530 2.138 2.105 2.157 . 0 0 "[ . 1 . 2 . 3 .]" 1
1046 1 56 LEU HA 1 57 CYS HA . . 4.820 4.439 4.424 4.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
1047 1 56 LEU HA 1 62 GLU H . . 4.970 4.565 4.413 4.709 . 0 0 "[ . 1 . 2 . 3 .]" 1
1048 1 56 LEU HA 1 62 GLU HA . . 2.950 2.170 2.058 2.259 . 0 0 "[ . 1 . 2 . 3 .]" 1
1049 1 56 LEU HA 1 63 GLY H . . 3.560 2.692 2.644 2.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
1050 1 56 LEU HB2 1 56 LEU MD1 . . 3.510 2.275 2.267 2.284 . 0 0 "[ . 1 . 2 . 3 .]" 1
1051 1 56 LEU HB2 1 56 LEU MD2 . . 3.620 3.230 3.224 3.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
1052 1 56 LEU HB2 1 57 CYS H . . 4.590 4.503 4.488 4.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
1053 1 56 LEU HB3 1 56 LEU MD1 . . 3.440 2.457 2.440 2.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
1054 1 56 LEU HB3 1 57 CYS H . . 3.750 3.827 3.818 3.836 0.086 7 0 "[ . 1 . 2 . 3 .]" 1
1055 1 56 LEU MD1 1 57 CYS H . . 4.720 4.728 4.718 4.735 0.015 10 0 "[ . 1 . 2 . 3 .]" 1
1056 1 56 LEU MD1 1 60 GLY HA2 . . 5.320 4.291 4.199 4.472 . 0 0 "[ . 1 . 2 . 3 .]" 1
1057 1 56 LEU MD2 1 57 CYS H . . 3.210 2.208 2.185 2.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
1058 1 56 LEU MD2 1 60 GLY H . . 3.970 3.315 3.239 3.425 . 0 0 "[ . 1 . 2 . 3 .]" 1
1059 1 56 LEU MD2 1 60 GLY HA2 . . 4.410 2.523 2.439 2.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
1060 1 56 LEU MD2 1 60 GLY HA3 . . 4.540 3.759 3.675 3.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
1061 1 56 LEU MD2 1 61 MET H . . 4.050 3.035 2.948 3.125 . 0 0 "[ . 1 . 2 . 3 .]" 1
1062 1 56 LEU MD2 1 62 GLU H . . 4.830 3.899 3.706 3.971 . 0 0 "[ . 1 . 2 . 3 .]" 1
1063 1 56 LEU MD2 1 62 GLU HA . . 3.890 3.397 3.281 3.501 . 0 0 "[ . 1 . 2 . 3 .]" 1
1064 1 56 LEU MD2 1 63 GLY H . . 4.740 4.245 4.169 4.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
1065 1 56 LEU HG 1 57 CYS H . . 4.000 3.818 3.771 3.863 . 0 0 "[ . 1 . 2 . 3 .]" 1
1066 1 56 LEU HG 1 62 GLU H . . 4.780 4.154 3.909 4.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
1067 1 57 CYS H 1 57 CYS HB2 . . 2.920 2.342 2.300 2.375 . 0 0 "[ . 1 . 2 . 3 .]" 1
1068 1 57 CYS H 1 58 ARG HA . . 5.500 5.540 5.510 5.572 0.072 32 0 "[ . 1 . 2 . 3 .]" 1
1069 1 57 CYS H 1 60 GLY HA2 . . 5.490 5.000 4.870 5.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
1070 1 57 CYS H 1 61 MET H . . 3.820 3.623 3.520 3.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
1071 1 57 CYS H 1 61 MET HB3 . . 5.230 4.717 4.661 4.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
1072 1 57 CYS H 1 62 GLU H . . 5.180 4.809 4.743 4.849 . 0 0 "[ . 1 . 2 . 3 .]" 1
1073 1 57 CYS H 1 62 GLU HA . . 3.510 3.244 3.129 3.367 . 0 0 "[ . 1 . 2 . 3 .]" 1
1074 1 57 CYS H 1 63 GLY H . . 3.770 2.924 2.861 2.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
1075 1 57 CYS H 1 63 GLY HA2 . . 5.000 5.047 5.023 5.072 0.072 11 0 "[ . 1 . 2 . 3 .]" 1
1076 1 57 CYS HA 1 58 ARG HA . . 4.920 4.275 4.228 4.307 . 0 0 "[ . 1 . 2 . 3 .]" 1
1077 1 57 CYS HA 1 59 ASN H . . 4.810 4.280 4.210 4.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
1078 1 57 CYS HA 1 60 GLY H . . 5.230 4.909 4.872 4.956 . 0 0 "[ . 1 . 2 . 3 .]" 1
1079 1 57 CYS HA 1 61 MET H . . 5.500 5.445 5.360 5.505 0.005 35 0 "[ . 1 . 2 . 3 .]" 1
1080 1 57 CYS HB2 1 59 ASN H . . 4.400 3.420 3.335 3.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
1081 1 57 CYS HB2 1 59 ASN HD21 . . 5.190 4.800 4.542 5.095 . 0 0 "[ . 1 . 2 . 3 .]" 1
1082 1 57 CYS HB2 1 60 GLY H . . 4.140 3.986 3.862 4.147 0.007 12 0 "[ . 1 . 2 . 3 .]" 1
1083 1 57 CYS HB2 1 61 MET H . . 3.810 3.347 3.234 3.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
1084 1 57 CYS HB2 1 63 GLY H . . 4.820 3.892 3.662 4.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
1085 1 57 CYS HB2 1 63 GLY HA2 . . 5.500 4.569 4.367 4.704 . 0 0 "[ . 1 . 2 . 3 .]" 1
1086 1 58 ARG HA 1 58 ARG HD2 . . 5.500 4.691 3.040 4.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
1087 1 58 ARG HA 1 58 ARG HD3 . . 5.500 4.573 3.744 5.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
1088 1 58 ARG HA 1 58 ARG QG . . 3.700 2.603 2.463 3.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
1089 1 58 ARG HA 1 60 GLY H . . 3.660 3.442 3.306 3.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
1090 1 58 ARG QB 1 59 ASN H . . 4.400 3.194 2.983 3.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
1091 1 58 ARG QG 1 59 ASN H . . 4.780 4.158 2.963 4.793 0.013 13 0 "[ . 1 . 2 . 3 .]" 1
1092 1 58 ARG HG2 1 59 ASN H . . 5.460 5.023 3.054 5.372 . 0 0 "[ . 1 . 2 . 3 .]" 1
1093 1 58 ARG HG3 1 59 ASN H . . 5.460 4.480 3.992 5.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
1094 1 59 ASN H 1 59 ASN HB2 . . 4.180 2.546 2.487 2.641 . 0 0 "[ . 1 . 2 . 3 .]" 1
1095 1 59 ASN H 1 59 ASN QB . . 3.630 2.165 2.146 2.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
1096 1 59 ASN H 1 59 ASN HB3 . . 4.180 2.344 2.284 2.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
1097 1 59 ASN H 1 60 GLY H . . 3.150 2.654 2.598 2.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
1098 1 59 ASN H 1 60 GLY HA2 . . 5.060 5.001 4.950 5.063 0.003 7 0 "[ . 1 . 2 . 3 .]" 1
1099 1 59 ASN H 1 61 MET H . . 4.000 3.820 3.743 3.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
1100 1 59 ASN HA 1 59 ASN HD21 . . 4.720 4.595 4.576 4.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
1101 1 59 ASN HA 1 59 ASN HD22 . . 4.990 4.848 4.823 4.911 . 0 0 "[ . 1 . 2 . 3 .]" 1
1102 1 59 ASN HA 1 60 GLY H . . 3.430 3.457 3.450 3.462 0.032 25 0 "[ . 1 . 2 . 3 .]" 1
1103 1 59 ASN QB 1 59 ASN HD22 . . 3.250 3.224 3.214 3.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
1104 1 59 ASN QB 1 60 GLY H . . 3.840 3.097 3.061 3.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
1105 1 59 ASN QB 1 61 MET H . . 4.750 2.867 2.776 3.068 . 0 0 "[ . 1 . 2 . 3 .]" 1
1106 1 59 ASN HB2 1 59 ASN HD21 . . 3.490 2.913 2.843 2.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
1107 1 59 ASN HB2 1 59 ASN HD22 . . 3.880 3.722 3.695 3.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
1108 1 59 ASN HB2 1 60 GLY H . . 4.480 4.236 4.207 4.297 . 0 0 "[ . 1 . 2 . 3 .]" 1
1109 1 59 ASN HB3 1 59 ASN HD21 . . 3.490 2.306 2.285 2.350 . 0 0 "[ . 1 . 2 . 3 .]" 1
1110 1 59 ASN HB3 1 59 ASN HD22 . . 3.880 3.533 3.528 3.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
1111 1 59 ASN HB3 1 60 GLY H . . 4.480 3.183 3.144 3.234 . 0 0 "[ . 1 . 2 . 3 .]" 1
1112 1 59 ASN HD21 1 60 GLY H . . 5.210 5.238 5.209 5.298 0.088 4 0 "[ . 1 . 2 . 3 .]" 1
1113 1 59 ASN HD21 1 61 MET H . . 4.490 4.145 3.991 4.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
1114 1 59 ASN HD21 1 61 MET HB2 . . 3.890 3.481 3.254 3.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
1115 1 59 ASN HD21 1 61 MET HB3 . . 3.780 3.022 2.757 3.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
1116 1 59 ASN HD21 1 61 MET QG . . 4.600 4.089 3.808 4.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
1117 1 59 ASN HD22 1 61 MET HB2 . . 4.110 3.811 3.612 4.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
1118 1 60 GLY H 1 60 GLY HA2 . . 2.780 2.356 2.341 2.372 . 0 0 "[ . 1 . 2 . 3 .]" 1
1119 1 60 GLY H 1 61 MET H . . 2.890 2.318 2.265 2.351 . 0 0 "[ . 1 . 2 . 3 .]" 1
1120 1 60 GLY H 1 61 MET HB2 . . 4.910 4.954 4.922 4.971 0.061 1 0 "[ . 1 . 2 . 3 .]" 1
1121 1 60 GLY HA2 1 61 MET H . . 3.540 3.171 3.101 3.219 . 0 0 "[ . 1 . 2 . 3 .]" 1
1122 1 61 MET H 1 61 MET HB2 . . 3.030 2.894 2.854 3.002 . 0 0 "[ . 1 . 2 . 3 .]" 1
1123 1 61 MET H 1 61 MET HB3 . . 3.110 2.645 2.575 2.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
1124 1 61 MET H 1 62 GLU H . . 4.490 4.505 4.491 4.515 0.025 30 0 "[ . 1 . 2 . 3 .]" 1
1125 1 61 MET HA 1 61 MET QG . . 3.290 2.972 2.921 2.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
1126 1 61 MET HA 1 62 GLU H . . 2.460 2.257 2.227 2.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
1127 1 61 MET HB3 1 61 MET QG . . 2.610 2.178 2.172 2.184 . 0 0 "[ . 1 . 2 . 3 .]" 1
1128 1 61 MET QG 1 62 GLU H . . 3.430 2.594 2.516 2.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
1129 1 62 GLU H 1 63 GLY H . . 4.410 4.437 4.425 4.445 0.035 17 0 "[ . 1 . 2 . 3 .]" 1
1130 1 62 GLU HA 1 63 GLY H . . 2.830 2.130 2.097 2.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
1131 1 62 GLU HB2 1 63 GLY H . . 5.200 4.354 3.594 4.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
1132 1 62 GLU HB3 1 63 GLY H . . 5.200 3.912 3.611 4.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
1133 1 63 GLY H 1 64 THR H . . 4.750 4.605 4.591 4.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
1134 1 63 GLY HA2 1 64 THR H . . 2.980 2.278 2.256 2.301 . 0 0 "[ . 1 . 2 . 3 .]" 1
1135 1 63 GLY HA3 1 64 THR H . . 3.180 2.991 2.968 3.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
1136 1 64 THR H 1 64 THR HB . . 3.080 2.598 2.575 2.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
1137 1 64 THR H 1 64 THR MG . . 4.040 3.900 3.890 3.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
1138 1 64 THR H 1 65 LEU H . . 4.570 4.549 4.533 4.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
1139 1 64 THR H 1 66 ILE MD . . 4.980 4.563 4.419 4.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
1140 1 64 THR HA 1 64 THR MG . . 2.800 2.403 2.385 2.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
1141 1 64 THR HA 1 65 LEU H . . 2.580 2.181 2.147 2.205 . 0 0 "[ . 1 . 2 . 3 .]" 1
1142 1 64 THR HA 1 65 LEU HA . . 4.550 4.265 4.205 4.303 . 0 0 "[ . 1 . 2 . 3 .]" 1
1143 1 64 THR HA 1 65 LEU HB2 . . 4.780 4.168 4.103 4.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
1144 1 64 THR HA 1 65 LEU HB3 . . 5.500 4.627 4.594 4.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
1145 1 64 THR HA 1 66 ILE MD . . 5.500 5.460 5.346 5.527 0.027 12 0 "[ . 1 . 2 . 3 .]" 1
1146 1 64 THR HB 1 65 LEU H . . 4.100 3.998 3.975 4.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
1147 1 64 THR MG 1 65 LEU H . . 3.020 2.380 2.351 2.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
1148 1 64 THR MG 1 66 ILE MD . . 5.500 4.870 4.750 4.959 . 0 0 "[ . 1 . 2 . 3 .]" 1
1149 1 65 LEU H 1 65 LEU HB2 . . 2.770 2.242 2.211 2.290 . 0 0 "[ . 1 . 2 . 3 .]" 1
1150 1 65 LEU H 1 65 LEU HB3 . . 2.950 2.457 2.426 2.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
1151 1 65 LEU H 1 65 LEU MD1 . . 4.320 3.999 3.944 4.055 . 0 0 "[ . 1 . 2 . 3 .]" 1
1152 1 65 LEU H 1 65 LEU MD2 . . 4.320 4.225 4.113 4.303 . 0 0 "[ . 1 . 2 . 3 .]" 1
1153 1 65 LEU H 1 66 ILE H . . 4.670 4.537 4.499 4.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
1154 1 65 LEU HA 1 65 LEU QD . . 3.070 2.516 2.159 2.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
1155 1 65 LEU HA 1 66 ILE H . . 2.900 2.147 2.071 2.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
1156 1 65 LEU HA 1 66 ILE MD . . 4.440 3.253 3.157 3.349 . 0 0 "[ . 1 . 2 . 3 .]" 1
1157 1 65 LEU HB2 1 66 ILE H . . 5.480 4.401 4.288 4.447 . 0 0 "[ . 1 . 2 . 3 .]" 1
1158 1 65 LEU HB3 1 65 LEU MD1 . . 3.640 2.646 2.254 3.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
1159 1 65 LEU HB3 1 65 LEU QD . . 3.130 2.179 2.134 2.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
1160 1 65 LEU HB3 1 65 LEU MD2 . . 3.640 2.501 2.268 2.682 . 0 0 "[ . 1 . 2 . 3 .]" 1
1161 1 65 LEU QD 1 66 ILE H . . 3.270 2.677 2.403 3.040 . 0 0 "[ . 1 . 2 . 3 .]" 1
1162 1 65 LEU QD 1 66 ILE MG . . 4.910 4.359 4.060 4.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
1163 1 65 LEU QD 1 67 GLU H . . 5.350 4.562 3.774 5.532 0.182 17 0 "[ . 1 . 2 . 3 .]" 1
1164 1 65 LEU HG 1 66 ILE H . . 4.240 3.685 3.185 4.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
1165 1 66 ILE H 1 66 ILE HB . . 4.080 3.910 3.862 3.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
1166 1 66 ILE H 1 66 ILE MD . . 3.640 1.896 1.835 1.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
1167 1 66 ILE H 1 66 ILE HG12 . . 3.600 3.454 3.137 3.619 0.019 26 0 "[ . 1 . 2 . 3 .]" 1
1168 1 66 ILE H 1 66 ILE HG13 . . 4.100 4.138 4.102 4.175 0.075 34 0 "[ . 1 . 2 . 3 .]" 1
1169 1 66 ILE H 1 66 ILE MG . . 3.750 3.030 2.969 3.100 . 0 0 "[ . 1 . 2 . 3 .]" 1
1170 1 66 ILE H 1 67 GLU H . . 4.530 4.475 4.445 4.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
1171 1 66 ILE H 1 67 GLU HA . . 5.430 5.019 4.828 5.276 . 0 0 "[ . 1 . 2 . 3 .]" 1
1172 1 66 ILE HA 1 66 ILE MD . . 3.890 3.637 3.584 3.733 . 0 0 "[ . 1 . 2 . 3 .]" 1
1173 1 66 ILE HA 1 66 ILE HG12 . . 4.210 3.796 3.743 3.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
1174 1 66 ILE HA 1 66 ILE MG . . 3.150 2.390 2.336 2.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
1175 1 66 ILE HA 1 67 GLU H . . 2.500 2.316 2.256 2.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
1176 1 66 ILE HB 1 66 ILE MD . . 3.310 3.252 3.241 3.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
1177 1 66 ILE HB 1 67 GLU H . . 3.530 2.553 2.454 2.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
1178 1 66 ILE MD 1 66 ILE MG . . 2.950 2.125 2.047 2.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
1179 1 66 ILE MD 1 67 GLU H . . 4.950 4.526 4.362 4.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
1180 1 66 ILE MD 1 68 GLY H . . 5.500 5.389 3.958 5.559 0.059 26 0 "[ . 1 . 2 . 3 .]" 1
1181 1 66 ILE HG12 1 67 GLU H . . 4.200 3.741 3.641 4.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
1182 1 66 ILE HG12 1 68 GLY H . . 4.920 4.741 3.089 4.960 0.040 16 0 "[ . 1 . 2 . 3 .]" 1
1183 1 66 ILE HG13 1 66 ILE MG . . 3.710 2.345 2.277 2.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
1184 1 66 ILE HG13 1 67 GLU H . . 4.760 4.689 4.542 4.780 0.020 19 0 "[ . 1 . 2 . 3 .]" 1
1185 1 66 ILE MG 1 67 GLU H . . 3.980 3.788 3.698 3.976 . 0 0 "[ . 1 . 2 . 3 .]" 1
1186 1 67 GLU H 1 67 GLU HB2 . . 3.780 2.651 2.292 3.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
1187 1 67 GLU H 1 67 GLU QB . . 2.920 2.492 2.229 2.830 . 0 0 "[ . 1 . 2 . 3 .]" 1
1188 1 67 GLU H 1 67 GLU HB3 . . 3.780 3.498 2.656 3.862 0.082 23 0 "[ . 1 . 2 . 3 .]" 1
1189 1 67 GLU H 1 67 GLU HG2 . . 4.920 3.664 1.892 4.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
1190 1 67 GLU H 1 67 GLU QG . . 4.280 2.756 1.856 4.219 . 0 0 "[ . 1 . 2 . 3 .]" 1
1191 1 67 GLU H 1 67 GLU HG3 . . 4.920 3.030 2.173 4.766 . 0 0 "[ . 1 . 2 . 3 .]" 1
1192 1 67 GLU HA 1 68 GLY H . . 3.340 2.209 2.075 3.461 0.121 5 0 "[ . 1 . 2 . 3 .]" 1
1193 1 67 GLU HA 1 68 GLY HA2 . . 5.500 4.436 3.524 4.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
1194 1 67 GLU HA 1 68 GLY HA3 . . 5.500 4.345 2.120 4.476 . 0 0 "[ . 1 . 2 . 3 .]" 1
1195 1 67 GLU HA 1 69 ASP H . . 4.480 4.051 3.300 4.512 0.032 34 0 "[ . 1 . 2 . 3 .]" 1
1196 1 67 GLU QB 1 68 GLY H . . 3.780 3.216 2.640 3.789 0.009 28 0 "[ . 1 . 2 . 3 .]" 1
1197 1 67 GLU HG2 1 68 GLY H . . 5.500 4.407 2.819 5.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
1198 1 67 GLU HG3 1 68 GLY H . . 5.500 4.863 2.625 5.653 0.153 5 0 "[ . 1 . 2 . 3 .]" 1
1199 1 68 GLY H 1 69 ASP H . . 3.930 2.588 1.838 3.803 . 0 0 "[ . 1 . 2 . 3 .]" 1
1200 1 69 ASP H 1 69 ASP HB2 . . 3.960 3.177 2.322 3.935 . 0 0 "[ . 1 . 2 . 3 .]" 1
1201 1 69 ASP H 1 69 ASP QB . . 3.150 2.763 2.206 3.206 0.056 21 0 "[ . 1 . 2 . 3 .]" 1
1202 1 69 ASP H 1 69 ASP HB3 . . 3.960 3.216 2.412 3.969 0.009 21 0 "[ . 1 . 2 . 3 .]" 1
1203 1 69 ASP H 1 70 LEU H . . 4.080 3.749 2.228 4.274 0.194 19 0 "[ . 1 . 2 . 3 .]" 1
1204 1 69 ASP HA 1 70 LEU H . . 3.170 2.502 2.109 3.388 0.218 4 0 "[ . 1 . 2 . 3 .]" 1
1205 1 69 ASP QB 1 70 LEU H . . 4.110 3.378 1.897 4.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
1206 1 69 ASP HB2 1 70 LEU H . . 4.790 3.935 1.950 4.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
1207 1 69 ASP HB3 1 70 LEU H . . 4.790 3.880 1.913 4.601 . 0 0 "[ . 1 . 2 . 3 .]" 1
1208 1 70 LEU H 1 70 LEU HB2 . . 2.950 2.421 2.122 2.704 . 0 0 "[ . 1 . 2 . 3 .]" 1
1209 1 70 LEU H 1 70 LEU MD1 . . 4.570 3.337 1.973 4.298 . 0 0 "[ . 1 . 2 . 3 .]" 1
1210 1 70 LEU H 1 70 LEU QD . . 3.930 2.827 1.968 3.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
1211 1 70 LEU H 1 70 LEU MD2 . . 4.570 3.576 2.052 4.426 . 0 0 "[ . 1 . 2 . 3 .]" 1
1212 1 70 LEU H 1 73 PRO QD . . 5.060 4.531 3.164 5.115 0.055 13 0 "[ . 1 . 2 . 3 .]" 1
1213 1 70 LEU HA 1 70 LEU MD1 . . 4.200 2.981 2.128 3.915 . 0 0 "[ . 1 . 2 . 3 .]" 1
1214 1 70 LEU HA 1 70 LEU MD2 . . 4.200 2.962 2.120 3.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
1215 1 70 LEU HA 1 73 PRO QD . . 4.110 3.673 1.995 4.191 0.081 22 0 "[ . 1 . 2 . 3 .]" 1
1216 1 70 LEU HA 1 73 PRO QG . . 4.950 4.529 3.546 4.983 0.033 11 0 "[ . 1 . 2 . 3 .]" 1
1217 1 70 LEU HB3 1 73 PRO QD . . 4.230 2.601 2.049 4.343 0.113 14 0 "[ . 1 . 2 . 3 .]" 1
1218 1 70 LEU MD1 1 73 PRO HD2 . . 5.500 4.486 2.985 5.568 0.068 7 0 "[ . 1 . 2 . 3 .]" 1
1219 1 70 LEU MD1 1 73 PRO HD3 . . 5.500 3.939 2.459 5.223 . 0 0 "[ . 1 . 2 . 3 .]" 1
1220 1 70 LEU MD2 1 73 PRO HD2 . . 5.500 4.669 2.823 5.548 0.048 7 0 "[ . 1 . 2 . 3 .]" 1
1221 1 70 LEU MD2 1 73 PRO HD3 . . 5.500 4.181 2.188 5.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
1222 1 72 GLU H 1 72 GLU QB . . 2.970 2.922 2.562 3.144 0.174 13 0 "[ . 1 . 2 . 3 .]" 1
1223 1 72 GLU H 1 72 GLU HG2 . . 3.880 3.331 2.198 3.954 0.074 5 0 "[ . 1 . 2 . 3 .]" 1
1224 1 72 GLU H 1 72 GLU QG . . 3.300 2.602 2.134 3.084 . 0 0 "[ . 1 . 2 . 3 .]" 1
1225 1 72 GLU H 1 72 GLU HG3 . . 3.880 2.854 2.284 3.937 0.057 2 0 "[ . 1 . 2 . 3 .]" 1
1226 1 72 GLU H 1 73 PRO HD2 . . 4.090 3.667 3.191 4.128 0.038 6 0 "[ . 1 . 2 . 3 .]" 1
1227 1 72 GLU H 1 73 PRO QD . . 3.570 2.834 2.406 3.591 0.021 13 0 "[ . 1 . 2 . 3 .]" 1
1228 1 72 GLU H 1 73 PRO HD3 . . 4.090 2.977 2.465 3.972 . 0 0 "[ . 1 . 2 . 3 .]" 1
1229 1 72 GLU HA 1 73 PRO HD2 . . 3.680 2.478 2.108 3.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
1230 1 72 GLU HA 1 73 PRO QD . . 3.190 2.359 2.070 2.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
1231 1 72 GLU HA 1 73 PRO HD3 . . 3.680 3.094 2.646 3.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
1232 1 73 PRO HA 1 74 LYS H . . 2.920 2.281 1.976 2.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
1233 1 73 PRO QB 1 74 LYS H . . 3.950 3.127 2.393 4.002 0.052 33 0 "[ . 1 . 2 . 3 .]" 1
1234 1 73 PRO QD 1 74 LYS H . . 4.960 4.752 3.859 4.980 0.020 16 0 "[ . 1 . 2 . 3 .]" 1
1235 1 73 PRO HG2 1 74 LYS H . . 5.500 4.917 4.429 5.603 0.103 5 0 "[ . 1 . 2 . 3 .]" 1
1236 1 73 PRO HG3 1 74 LYS H . . 5.500 5.185 4.324 5.592 0.092 18 0 "[ . 1 . 2 . 3 .]" 1
1237 1 74 LYS H 1 74 LYS HG2 . . 5.410 3.782 2.097 5.196 . 0 0 "[ . 1 . 2 . 3 .]" 1
1238 1 74 LYS H 1 74 LYS QG . . 4.660 3.419 2.069 4.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
1239 1 74 LYS H 1 74 LYS HG3 . . 5.410 4.118 3.052 4.850 . 0 0 "[ . 1 . 2 . 3 .]" 1
1240 1 74 LYS QG 1 75 LYS H . . 4.550 3.389 1.800 4.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
1241 1 74 LYS QG 1 76 VAL H . . 5.060 4.532 2.092 5.096 0.036 1 0 "[ . 1 . 2 . 3 .]" 1
1242 1 75 LYS H 1 76 VAL QG . . 5.440 4.174 2.747 5.307 . 0 0 "[ . 1 . 2 . 3 .]" 1
1243 1 75 LYS HA 1 76 VAL H . . 2.790 2.394 2.090 2.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
1244 1 75 LYS HB2 1 76 VAL H . . 5.240 4.152 2.241 4.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
1245 1 75 LYS HB3 1 76 VAL H . . 5.240 4.065 2.611 4.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
1246 1 76 VAL H 1 76 VAL HB . . 3.900 3.559 2.543 3.945 0.045 31 0 "[ . 1 . 2 . 3 .]" 1
1247 1 76 VAL H 1 76 VAL QG . . 3.660 2.304 1.898 3.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
1248 1 76 VAL H 1 77 LYS H . . 4.860 4.078 2.353 4.685 . 0 0 "[ . 1 . 2 . 3 .]" 1
1249 1 76 VAL HA 1 77 LYS H . . 2.990 2.471 2.104 3.338 0.348 24 0 "[ . 1 . 2 . 3 .]" 1
1250 1 76 VAL HB 1 77 LYS H . . 4.560 3.511 2.342 4.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
1251 1 76 VAL HB 1 77 LYS HA . . 5.070 4.702 2.640 5.110 0.040 11 0 "[ . 1 . 2 . 3 .]" 1
1252 1 76 VAL QG 1 77 LYS H . . 4.130 3.249 2.340 3.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
1253 1 76 VAL MG1 1 77 LYS H . . 4.860 3.668 2.353 4.873 0.013 24 0 "[ . 1 . 2 . 3 .]" 1
1254 1 76 VAL MG2 1 77 LYS H . . 4.860 3.875 3.173 4.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
1255 1 77 LYS H 1 77 LYS HB2 . . 4.200 2.862 2.318 3.916 . 0 0 "[ . 1 . 2 . 3 .]" 1
1256 1 77 LYS H 1 77 LYS QB . . 3.520 2.622 2.203 3.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
1257 1 77 LYS H 1 77 LYS HB3 . . 4.200 3.397 2.542 3.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
1258 1 77 LYS H 1 77 LYS HG2 . . 5.450 3.983 1.961 4.948 . 0 0 "[ . 1 . 2 . 3 .]" 1
1259 1 77 LYS H 1 77 LYS QG . . 4.640 3.233 1.933 4.227 . 0 0 "[ . 1 . 2 . 3 .]" 1
1260 1 77 LYS H 1 77 LYS HG3 . . 5.450 3.548 2.323 4.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
1261 1 80 ARG H 1 80 ARG HG2 . . 5.500 3.900 2.171 5.162 . 0 0 "[ . 1 . 2 . 3 .]" 1
1262 1 80 ARG H 1 80 ARG QG . . 4.780 3.292 2.150 4.395 . 0 0 "[ . 1 . 2 . 3 .]" 1
1263 1 80 ARG H 1 80 ARG HG3 . . 5.500 3.846 2.489 4.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
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