NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597951 |
2mqo   |
25041 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqo
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 2677
_Distance_constraint_stats_list.Viol_count 1669
_Distance_constraint_stats_list.Viol_total 1662.747
_Distance_constraint_stats_list.Viol_max 0.370
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0498
_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 2 GLU 0.376 0.163 1 0 "[ . 1 . 2]"
1 3 ASN 0.403 0.163 1 0 "[ . 1 . 2]"
1 4 TYR 0.310 0.190 6 0 "[ . 1 . 2]"
1 5 ASP 0.654 0.190 6 0 "[ . 1 . 2]"
1 6 ASP 0.651 0.134 9 0 "[ . 1 . 2]"
1 7 PRO 0.583 0.168 11 0 "[ . 1 . 2]"
1 8 HIS 0.801 0.168 11 0 "[ . 1 . 2]"
1 9 LYS 0.766 0.182 17 0 "[ . 1 . 2]"
1 10 THR 1.566 0.140 17 0 "[ . 1 . 2]"
1 11 PRO 1.869 0.114 10 0 "[ . 1 . 2]"
1 12 ALA 0.274 0.038 3 0 "[ . 1 . 2]"
1 13 SER 0.540 0.114 8 0 "[ . 1 . 2]"
1 14 PRO 0.912 0.114 2 0 "[ . 1 . 2]"
1 15 VAL 1.400 0.081 13 0 "[ . 1 . 2]"
1 16 VAL 10.241 0.297 3 0 "[ . 1 . 2]"
1 17 HIS 1.379 0.171 19 0 "[ . 1 . 2]"
1 18 ILE 1.233 0.100 15 0 "[ . 1 . 2]"
1 19 ARG 2.874 0.098 5 0 "[ . 1 . 2]"
1 20 GLY 0.109 0.059 9 0 "[ . 1 . 2]"
1 21 LEU 1.571 0.138 9 0 "[ . 1 . 2]"
1 22 ILE 4.191 0.179 11 0 "[ . 1 . 2]"
1 23 ASP 3.055 0.179 11 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 2.876 0.106 11 0 "[ . 1 . 2]"
1 26 VAL 0.193 0.027 14 0 "[ . 1 . 2]"
1 27 GLU 1.896 0.137 20 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 2.444 0.106 11 0 "[ . 1 . 2]"
1 30 LEU 0.146 0.025 18 0 "[ . 1 . 2]"
1 31 VAL 1.828 0.103 2 0 "[ . 1 . 2]"
1 32 GLU 0.297 0.055 14 0 "[ . 1 . 2]"
1 33 ALA 1.357 0.103 18 0 "[ . 1 . 2]"
1 34 LEU 3.652 0.103 2 0 "[ . 1 . 2]"
1 35 GLN 0.380 0.047 14 0 "[ . 1 . 2]"
1 36 GLU 1.192 0.069 5 0 "[ . 1 . 2]"
1 37 PHE 0.930 0.053 15 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ILE 0.389 0.047 14 0 "[ . 1 . 2]"
1 41 SER 2.678 0.101 12 0 "[ . 1 . 2]"
1 42 TYR 2.281 0.135 18 0 "[ . 1 . 2]"
1 43 VAL 1.788 0.137 20 0 "[ . 1 . 2]"
1 44 VAL 2.222 0.135 18 0 "[ . 1 . 2]"
1 45 VAL 0.791 0.101 19 0 "[ . 1 . 2]"
1 46 MET 4.123 0.198 8 0 "[ . 1 . 2]"
1 47 PRO 0.403 0.064 17 0 "[ . 1 . 2]"
1 48 LYS 1.056 0.152 5 0 "[ . 1 . 2]"
1 49 LYS 0.678 0.087 11 0 "[ . 1 . 2]"
1 50 ARG 1.869 0.138 9 0 "[ . 1 . 2]"
1 51 GLN 4.681 0.198 8 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 1.115 0.092 6 0 "[ . 1 . 2]"
1 54 VAL 2.186 0.101 11 0 "[ . 1 . 2]"
1 55 GLU 2.220 0.101 12 0 "[ . 1 . 2]"
1 56 PHE 1.058 0.071 13 0 "[ . 1 . 2]"
1 57 GLU 0.050 0.025 20 0 "[ . 1 . 2]"
1 58 ASP 1.467 0.088 7 0 "[ . 1 . 2]"
1 59 VAL 1.427 0.075 9 0 "[ . 1 . 2]"
1 60 LEU 2.731 0.088 7 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ALA 0.036 0.015 7 0 "[ . 1 . 2]"
1 63 CYS 5.090 0.297 3 0 "[ . 1 . 2]"
1 64 ASN 0.186 0.025 18 0 "[ . 1 . 2]"
1 65 ALA 0.123 0.073 17 0 "[ . 1 . 2]"
1 66 VAL 0.008 0.008 20 0 "[ . 1 . 2]"
1 67 ASN 0.009 0.009 17 0 "[ . 1 . 2]"
1 68 TYR 1.001 0.076 3 0 "[ . 1 . 2]"
1 69 ALA 1.828 0.103 13 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASN 1.368 0.103 13 0 "[ . 1 . 2]"
1 73 GLN 2.010 0.150 20 0 "[ . 1 . 2]"
1 74 ILE 0.263 0.103 18 0 "[ . 1 . 2]"
1 75 TYR 0.702 0.082 1 0 "[ . 1 . 2]"
1 76 ILE 3.112 0.128 20 0 "[ . 1 . 2]"
1 77 ALA 0.141 0.034 8 0 "[ . 1 . 2]"
1 78 GLY 1.786 0.350 1 0 "[ . 1 . 2]"
1 79 HIS 3.067 0.350 1 0 "[ . 1 . 2]"
1 80 PRO 0.391 0.150 20 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 PHE 2.670 0.128 20 0 "[ . 1 . 2]"
1 83 VAL 0.193 0.045 5 0 "[ . 1 . 2]"
1 84 ASN 1.931 0.140 17 0 "[ . 1 . 2]"
1 85 TYR 4.825 0.234 8 0 "[ . 1 . 2]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 0.695 0.119 16 0 "[ . 1 . 2]"
1 88 SER 0.403 0.244 15 0 "[ . 1 . 2]"
1 89 GLN 1.616 0.114 2 0 "[ . 1 . 2]"
1 90 LYS 0.498 0.244 15 0 "[ . 1 . 2]"
1 91 ILE 0.937 0.080 20 0 "[ . 1 . 2]"
1 92 SER 1.822 0.136 11 0 "[ . 1 . 2]"
1 93 ARG 1.910 0.194 10 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ASP 1.156 0.194 10 0 "[ . 1 . 2]"
1 97 SER 0.908 0.295 3 0 "[ . 1 . 2]"
1 98 ASP 0.577 0.167 3 0 "[ . 1 . 2]"
1 99 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 SER 1.662 0.295 3 0 "[ . 1 . 2]"
1 101 ARG 1.427 0.183 5 0 "[ . 1 . 2]"
1 102 SER 0.275 0.077 7 0 "[ . 1 . 2]"
1 103 VAL 0.673 0.125 8 0 "[ . 1 . 2]"
1 104 ASN 0.806 0.125 8 0 "[ . 1 . 2]"
1 105 SER 0.047 0.047 12 0 "[ . 1 . 2]"
2 1 C 3.759 0.117 17 0 "[ . 1 . 2]"
2 2 A 3.973 0.130 19 0 "[ . 1 . 2]"
2 3 C 4.118 0.370 15 0 "[ . 1 . 2]"
2 4 A 7.181 0.187 10 0 "[ . 1 . 2]"
2 5 C 4.499 0.136 11 0 "[ . 1 . 2]"
2 6 A 1.627 0.110 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU HA 1 3 ASN HA . . 5.550 4.533 4.320 5.276 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU QB 1 3 ASN H . . 5.190 3.065 2.039 3.844 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU QB 1 3 ASN QB . . 5.340 4.510 3.570 5.464 0.124 14 0 "[ . 1 . 2]" 1
4 1 2 GLU QG 1 3 ASN QB . . 5.800 4.799 3.155 5.963 0.163 1 0 "[ . 1 . 2]" 1
5 1 3 ASN HA 1 4 TYR H . . 4.450 2.731 2.270 3.490 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASN HA 1 4 TYR QB . . 5.530 4.394 3.858 5.089 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASN HB2 1 4 TYR HA . . 6.000 5.017 4.391 6.026 0.026 5 0 "[ . 1 . 2]" 1
8 1 3 ASN HB3 1 4 TYR HA . . 5.860 4.817 4.315 5.857 . 0 0 "[ . 1 . 2]" 1
9 1 3 ASN QB 1 4 TYR QB . . 5.350 4.326 3.356 5.233 . 0 0 "[ . 1 . 2]" 1
10 1 4 TYR H 1 4 TYR QD . . 5.510 3.994 2.465 4.554 . 0 0 "[ . 1 . 2]" 1
11 1 4 TYR HA 1 4 TYR QE . . 5.500 4.886 4.344 5.594 0.094 14 0 "[ . 1 . 2]" 1
12 1 4 TYR HA 1 5 ASP H . . 4.280 2.414 2.162 3.415 . 0 0 "[ . 1 . 2]" 1
13 1 4 TYR HB2 1 5 ASP H . . 5.430 3.735 2.491 4.628 . 0 0 "[ . 1 . 2]" 1
14 1 4 TYR HB3 1 5 ASP H . . 5.430 3.931 2.488 4.230 . 0 0 "[ . 1 . 2]" 1
15 1 4 TYR QB 1 5 ASP H . . 5.010 3.349 2.438 3.692 . 0 0 "[ . 1 . 2]" 1
16 1 4 TYR QD 1 5 ASP H . . 5.480 3.162 2.458 4.978 . 0 0 "[ . 1 . 2]" 1
17 1 4 TYR QD 1 5 ASP HA . . 5.590 4.293 3.622 5.780 0.190 6 0 "[ . 1 . 2]" 1
18 1 5 ASP H 1 6 ASP H . . 5.140 4.500 4.317 4.689 . 0 0 "[ . 1 . 2]" 1
19 1 5 ASP H 1 6 ASP HA . . 5.590 5.118 4.540 5.724 0.134 9 0 "[ . 1 . 2]" 1
20 1 5 ASP HA 1 6 ASP H . . 4.470 2.335 2.133 2.606 . 0 0 "[ . 1 . 2]" 1
21 1 5 ASP HA 1 6 ASP HA . . 5.520 4.326 4.226 4.511 . 0 0 "[ . 1 . 2]" 1
22 1 5 ASP HA 1 6 ASP QB . . 5.570 4.382 4.012 4.754 . 0 0 "[ . 1 . 2]" 1
23 1 6 ASP H 1 7 PRO HA . . 5.860 5.577 4.868 5.869 0.009 20 0 "[ . 1 . 2]" 1
24 1 6 ASP H 1 7 PRO HD2 . . 5.720 4.874 4.744 5.270 . 0 0 "[ . 1 . 2]" 1
25 1 6 ASP HA 1 7 PRO HA . . 5.560 4.373 4.301 4.431 . 0 0 "[ . 1 . 2]" 1
26 1 6 ASP HA 1 7 PRO HD2 . . 5.490 2.381 2.100 3.072 . 0 0 "[ . 1 . 2]" 1
27 1 6 ASP HA 1 7 PRO HD3 . . 4.350 2.340 1.943 2.540 . 0 0 "[ . 1 . 2]" 1
28 1 6 ASP HA 1 7 PRO HG2 . . 6.000 4.486 4.320 4.904 . 0 0 "[ . 1 . 2]" 1
29 1 6 ASP HA 1 7 PRO HG3 . . 6.000 4.476 3.952 4.831 . 0 0 "[ . 1 . 2]" 1
30 1 6 ASP HA 1 7 PRO QD . . 4.650 2.063 1.923 2.380 . 0 0 "[ . 1 . 2]" 1
31 1 6 ASP HB2 1 7 PRO HD2 . . 5.340 3.191 1.929 3.963 . 0 0 "[ . 1 . 2]" 1
32 1 6 ASP HB2 1 7 PRO QD . . 5.620 3.096 1.911 3.802 . 0 0 "[ . 1 . 2]" 1
33 1 6 ASP HB3 1 7 PRO HD2 . . 5.340 3.124 2.038 4.430 . 0 0 "[ . 1 . 2]" 1
34 1 6 ASP HB3 1 7 PRO QD . . 5.620 2.991 2.026 4.196 . 0 0 "[ . 1 . 2]" 1
35 1 6 ASP HB3 1 8 HIS H . . 5.820 3.636 2.271 5.942 0.122 11 0 "[ . 1 . 2]" 1
36 1 6 ASP QB 1 7 PRO HD2 . . 5.050 2.500 1.921 3.557 . 0 0 "[ . 1 . 2]" 1
37 1 6 ASP QB 1 7 PRO HD3 . . 5.210 3.615 2.680 4.369 . 0 0 "[ . 1 . 2]" 1
38 1 6 ASP QB 1 7 PRO QD . . 5.320 2.442 1.902 3.409 . 0 0 "[ . 1 . 2]" 1
39 1 6 ASP QB 1 7 PRO QG . . 5.690 3.995 3.448 4.968 . 0 0 "[ . 1 . 2]" 1
40 1 6 ASP QB 1 8 HIS H . . 5.540 2.952 2.212 5.597 0.057 11 0 "[ . 1 . 2]" 1
41 1 7 PRO HD3 1 8 HIS H . . 5.170 4.015 3.804 5.258 0.088 11 0 "[ . 1 . 2]" 1
42 1 7 PRO HD3 1 8 HIS HD2 . . 5.860 5.271 4.447 6.028 0.168 11 0 "[ . 1 . 2]" 1
43 1 7 PRO HG2 1 8 HIS HD2 . . 5.820 3.966 2.798 5.529 . 0 0 "[ . 1 . 2]" 1
44 1 7 PRO HG3 1 8 HIS HD2 . . 5.820 5.287 4.478 5.953 0.133 11 0 "[ . 1 . 2]" 1
45 1 7 PRO QG 1 8 HIS H . . 5.210 3.010 2.658 4.182 . 0 0 "[ . 1 . 2]" 1
46 1 7 PRO QG 1 8 HIS HD2 . . 5.510 3.844 2.771 5.090 . 0 0 "[ . 1 . 2]" 1
47 1 8 HIS H 1 8 HIS HD2 . . 5.660 3.004 1.794 3.393 . 0 0 "[ . 1 . 2]" 1
48 1 8 HIS H 1 9 LYS H . . 5.340 2.524 2.175 2.672 . 0 0 "[ . 1 . 2]" 1
49 1 8 HIS H 1 9 LYS QB . . 5.800 4.181 3.775 4.734 . 0 0 "[ . 1 . 2]" 1
50 1 8 HIS HA 1 8 HIS HE1 . . 5.840 5.075 4.887 5.872 0.032 7 0 "[ . 1 . 2]" 1
51 1 9 LYS H 1 10 THR H . . 5.570 4.621 4.432 4.666 . 0 0 "[ . 1 . 2]" 1
52 1 9 LYS H 1 9 LYS QE . . 5.860 5.055 3.833 6.042 0.182 17 0 "[ . 1 . 2]" 1
53 1 9 LYS HA 1 10 THR H . . 5.070 2.235 2.134 2.393 . 0 0 "[ . 1 . 2]" 1
54 1 9 LYS HB2 1 10 THR H . . 5.360 4.018 2.526 4.164 . 0 0 "[ . 1 . 2]" 1
55 1 9 LYS HB3 1 10 THR H . . 5.360 4.071 3.836 4.215 . 0 0 "[ . 1 . 2]" 1
56 1 9 LYS HG2 1 10 THR H . . 5.360 3.543 2.432 4.753 . 0 0 "[ . 1 . 2]" 1
57 1 9 LYS HG3 1 10 THR H . . 5.360 2.757 2.440 3.776 . 0 0 "[ . 1 . 2]" 1
58 1 9 LYS QB 1 10 THR H . . 5.050 3.584 2.494 3.730 . 0 0 "[ . 1 . 2]" 1
59 1 9 LYS QB 1 10 THR MG . . 5.780 4.708 4.441 5.215 . 0 0 "[ . 1 . 2]" 1
60 1 9 LYS QD 1 10 THR H . . 5.460 3.384 1.836 5.056 . 0 0 "[ . 1 . 2]" 1
61 1 9 LYS QG 1 10 THR HB . . 5.800 5.281 4.588 5.704 . 0 0 "[ . 1 . 2]" 1
62 1 10 THR H 1 11 PRO HA . . 6.000 5.391 5.067 5.770 . 0 0 "[ . 1 . 2]" 1
63 1 10 THR H 1 11 PRO HD2 . . 5.690 4.865 4.781 4.910 . 0 0 "[ . 1 . 2]" 1
64 1 10 THR H 1 11 PRO HD3 . . 5.720 5.037 4.911 5.116 . 0 0 "[ . 1 . 2]" 1
65 1 10 THR H 1 84 ASN HD21 . . 5.860 5.039 3.825 5.932 0.072 6 0 "[ . 1 . 2]" 1
66 1 10 THR H 1 84 ASN HD22 . . 5.860 4.298 2.567 5.835 . 0 0 "[ . 1 . 2]" 1
67 1 10 THR H 1 84 ASN QD . . 5.590 3.867 2.539 5.213 . 0 0 "[ . 1 . 2]" 1
68 1 10 THR H 1 85 TYR QD . . 5.860 4.111 3.597 4.894 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR HB 1 11 PRO HA . . 5.660 5.151 4.822 5.296 . 0 0 "[ . 1 . 2]" 1
70 1 10 THR HB 1 11 PRO HD2 . . 4.480 2.108 1.924 2.718 . 0 0 "[ . 1 . 2]" 1
71 1 10 THR HB 1 11 PRO HD3 . . 5.210 3.463 3.217 4.007 . 0 0 "[ . 1 . 2]" 1
72 1 10 THR HB 1 11 PRO QB . . 6.000 5.090 4.917 5.204 . 0 0 "[ . 1 . 2]" 1
73 1 10 THR HB 1 11 PRO QG . . 6.000 3.861 3.688 4.199 . 0 0 "[ . 1 . 2]" 1
74 1 10 THR HB 1 84 ASN QD . . 5.610 5.080 4.087 5.750 0.140 17 0 "[ . 1 . 2]" 1
75 1 10 THR HB 1 85 TYR H . . 5.290 4.662 3.484 5.317 0.027 19 0 "[ . 1 . 2]" 1
76 1 10 THR HB 1 85 TYR HB2 . . 5.090 3.476 2.195 3.987 . 0 0 "[ . 1 . 2]" 1
77 1 10 THR HB 1 85 TYR HB3 . . 5.730 4.895 3.627 5.456 . 0 0 "[ . 1 . 2]" 1
78 1 10 THR HB 1 85 TYR QD . . 6.000 4.404 3.028 4.926 . 0 0 "[ . 1 . 2]" 1
79 1 10 THR MG 1 11 PRO HA . . 5.770 5.777 5.632 5.826 0.056 6 0 "[ . 1 . 2]" 1
80 1 10 THR MG 1 11 PRO HD2 . . 4.820 3.480 2.841 3.736 . 0 0 "[ . 1 . 2]" 1
81 1 10 THR MG 1 11 PRO HD3 . . 5.000 4.184 3.686 4.382 . 0 0 "[ . 1 . 2]" 1
82 1 10 THR MG 1 11 PRO QG . . 5.360 4.885 4.373 5.103 . 0 0 "[ . 1 . 2]" 1
83 1 10 THR MG 1 66 VAL QG . . 5.710 4.864 4.293 5.517 . 0 0 "[ . 1 . 2]" 1
84 1 10 THR MG 1 84 ASN QD . . 6.000 2.674 1.968 3.919 . 0 0 "[ . 1 . 2]" 1
85 1 10 THR MG 1 85 TYR H . . 6.000 3.986 3.502 4.487 . 0 0 "[ . 1 . 2]" 1
86 1 10 THR MG 1 85 TYR HB2 . . 5.130 4.116 3.535 4.300 . 0 0 "[ . 1 . 2]" 1
87 1 10 THR MG 1 85 TYR HB3 . . 6.000 5.422 4.766 5.672 . 0 0 "[ . 1 . 2]" 1
88 1 10 THR MG 1 85 TYR QD . . 4.920 4.404 4.115 4.770 . 0 0 "[ . 1 . 2]" 1
89 1 11 PRO HA 1 12 ALA MB . . 5.300 4.051 4.009 4.105 . 0 0 "[ . 1 . 2]" 1
90 1 11 PRO HA 1 85 TYR QD . . 5.760 4.684 4.365 5.054 . 0 0 "[ . 1 . 2]" 1
91 1 11 PRO HB2 1 12 ALA H . . 4.910 2.998 2.812 3.306 . 0 0 "[ . 1 . 2]" 1
92 1 11 PRO HB3 1 12 ALA H . . 4.910 3.772 3.686 3.955 . 0 0 "[ . 1 . 2]" 1
93 1 11 PRO HD2 1 12 ALA H . . 6.000 5.640 5.558 5.689 . 0 0 "[ . 1 . 2]" 1
94 1 11 PRO HD2 1 85 TYR QB . . 6.000 4.111 3.689 4.394 . 0 0 "[ . 1 . 2]" 1
95 1 11 PRO HD3 1 12 ALA H . . 6.000 5.562 5.528 5.613 . 0 0 "[ . 1 . 2]" 1
96 1 11 PRO HD3 1 85 TYR QD . . 6.000 6.054 5.940 6.114 0.114 10 0 "[ . 1 . 2]" 1
97 1 11 PRO QB 1 12 ALA H . . 4.390 2.887 2.729 3.148 . 0 0 "[ . 1 . 2]" 1
98 1 11 PRO QB 1 85 TYR QD . . 5.630 5.556 5.442 5.639 0.009 16 0 "[ . 1 . 2]" 1
99 1 11 PRO QG 1 12 ALA H . . 5.130 4.358 4.233 4.522 . 0 0 "[ . 1 . 2]" 1
100 1 11 PRO QG 1 12 ALA MB . . 5.660 5.292 5.155 5.423 . 0 0 "[ . 1 . 2]" 1
101 1 12 ALA H 1 13 SER H . . 5.240 4.651 4.632 4.672 . 0 0 "[ . 1 . 2]" 1
102 1 12 ALA H 1 13 SER HA . . 5.810 5.716 5.608 5.774 . 0 0 "[ . 1 . 2]" 1
103 1 12 ALA H 1 59 VAL QG . . 5.840 5.771 5.513 5.877 0.037 9 0 "[ . 1 . 2]" 1
104 1 12 ALA H 1 85 TYR HB3 . . 5.860 5.394 5.186 5.655 . 0 0 "[ . 1 . 2]" 1
105 1 12 ALA H 1 85 TYR QD . . 5.420 4.739 4.493 5.063 . 0 0 "[ . 1 . 2]" 1
106 1 12 ALA H 1 85 TYR QE . . 6.000 5.157 4.908 5.418 . 0 0 "[ . 1 . 2]" 1
107 1 12 ALA HA 1 13 SER H . . 4.540 2.229 2.185 2.281 . 0 0 "[ . 1 . 2]" 1
108 1 12 ALA HA 1 13 SER QB . . 5.800 4.089 3.905 4.286 . 0 0 "[ . 1 . 2]" 1
109 1 12 ALA HA 1 85 TYR QD . . 5.200 3.120 2.986 3.307 . 0 0 "[ . 1 . 2]" 1
110 1 12 ALA MB 1 13 SER H . . 4.890 2.780 2.633 2.914 . 0 0 "[ . 1 . 2]" 1
111 1 12 ALA MB 1 13 SER HA . . 5.470 3.972 3.907 4.035 . 0 0 "[ . 1 . 2]" 1
112 1 12 ALA MB 1 13 SER HB2 . . 5.860 4.943 4.784 5.140 . 0 0 "[ . 1 . 2]" 1
113 1 12 ALA MB 1 13 SER HB3 . . 5.860 5.337 4.950 5.722 . 0 0 "[ . 1 . 2]" 1
114 1 12 ALA MB 1 14 PRO HD3 . . 5.830 5.279 5.167 5.462 . 0 0 "[ . 1 . 2]" 1
115 1 12 ALA MB 1 85 TYR QD . . 5.590 4.044 3.885 4.239 . 0 0 "[ . 1 . 2]" 1
116 1 12 ALA MB 1 85 TYR QE . . 5.270 3.654 3.396 3.932 . 0 0 "[ . 1 . 2]" 1
117 1 12 ALA MB 1 89 GLN HE21 . . 5.860 5.779 5.641 5.898 0.038 3 0 "[ . 1 . 2]" 1
118 1 12 ALA MB 1 89 GLN HE22 . . 5.590 4.426 4.295 4.581 . 0 0 "[ . 1 . 2]" 1
119 1 13 SER H 1 14 PRO HA . . 6.000 4.765 4.706 4.831 . 0 0 "[ . 1 . 2]" 1
120 1 13 SER H 1 14 PRO HD3 . . 5.660 4.757 4.698 4.842 . 0 0 "[ . 1 . 2]" 1
121 1 13 SER H 1 15 VAL H . . 5.590 4.505 4.196 4.652 . 0 0 "[ . 1 . 2]" 1
122 1 13 SER H 1 59 VAL QG . . 5.320 3.393 3.239 3.621 . 0 0 "[ . 1 . 2]" 1
123 1 13 SER H 1 62 ALA MB . . 5.490 4.105 3.996 4.221 . 0 0 "[ . 1 . 2]" 1
124 1 13 SER H 1 66 VAL MG2 . . 5.860 5.180 4.990 5.369 . 0 0 "[ . 1 . 2]" 1
125 1 13 SER H 1 66 VAL QG . . 5.800 4.926 4.761 5.095 . 0 0 "[ . 1 . 2]" 1
126 1 13 SER H 1 85 TYR H . . 6.000 5.851 5.488 6.114 0.114 8 0 "[ . 1 . 2]" 1
127 1 13 SER H 1 85 TYR HA . . 5.810 4.572 4.353 4.754 . 0 0 "[ . 1 . 2]" 1
128 1 13 SER H 1 85 TYR HB2 . . 5.670 4.330 3.922 4.638 . 0 0 "[ . 1 . 2]" 1
129 1 13 SER H 1 85 TYR HB3 . . 5.270 3.043 2.624 3.531 . 0 0 "[ . 1 . 2]" 1
130 1 13 SER H 1 85 TYR QD . . 4.820 2.539 2.367 2.705 . 0 0 "[ . 1 . 2]" 1
131 1 13 SER H 1 85 TYR QE . . 4.840 3.419 2.752 3.773 . 0 0 "[ . 1 . 2]" 1
132 1 13 SER H 1 89 GLN HE22 . . 5.710 4.701 4.477 4.943 . 0 0 "[ . 1 . 2]" 1
133 1 13 SER HA 1 14 PRO HD2 . . 5.040 2.339 2.278 2.419 . 0 0 "[ . 1 . 2]" 1
134 1 13 SER HA 1 14 PRO HD3 . . 4.640 2.417 2.309 2.495 . 0 0 "[ . 1 . 2]" 1
135 1 13 SER HA 1 14 PRO HG2 . . 5.510 4.522 4.477 4.581 . 0 0 "[ . 1 . 2]" 1
136 1 13 SER HA 1 14 PRO HG3 . . 5.470 4.576 4.527 4.612 . 0 0 "[ . 1 . 2]" 1
137 1 13 SER HA 1 15 VAL H . . 5.180 3.668 3.603 3.759 . 0 0 "[ . 1 . 2]" 1
138 1 13 SER HA 1 15 VAL QG . . 5.750 4.520 4.000 4.846 . 0 0 "[ . 1 . 2]" 1
139 1 13 SER HA 1 59 VAL QG . . 4.950 3.474 3.326 3.629 . 0 0 "[ . 1 . 2]" 1
140 1 13 SER HA 1 85 TYR HB3 . . 5.700 4.717 4.481 5.080 . 0 0 "[ . 1 . 2]" 1
141 1 13 SER HA 1 89 GLN HA . . 6.000 3.840 3.690 4.018 . 0 0 "[ . 1 . 2]" 1
142 1 13 SER HA 1 89 GLN HE21 . . 4.810 4.288 4.100 4.539 . 0 0 "[ . 1 . 2]" 1
143 1 13 SER HA 1 89 GLN HE22 . . 4.760 2.784 2.617 3.025 . 0 0 "[ . 1 . 2]" 1
144 1 13 SER HA 1 89 GLN HG2 . . 5.860 5.233 5.132 5.381 . 0 0 "[ . 1 . 2]" 1
145 1 13 SER HA 1 89 GLN HG3 . . 5.860 5.411 5.267 5.565 . 0 0 "[ . 1 . 2]" 1
146 1 13 SER HA 1 89 GLN QB . . 5.410 4.719 4.562 4.919 . 0 0 "[ . 1 . 2]" 1
147 1 13 SER HA 1 89 GLN QG . . 5.590 4.737 4.632 4.871 . 0 0 "[ . 1 . 2]" 1
148 1 13 SER HB2 1 15 VAL H . . 5.120 3.332 2.698 3.878 . 0 0 "[ . 1 . 2]" 1
149 1 13 SER HB2 1 15 VAL HB . . 5.860 4.989 3.698 5.941 0.081 13 0 "[ . 1 . 2]" 1
150 1 13 SER HB2 1 85 TYR HB2 . . 5.750 4.451 3.870 5.130 . 0 0 "[ . 1 . 2]" 1
151 1 13 SER HB2 1 85 TYR HB3 . . 5.410 2.903 2.211 3.558 . 0 0 "[ . 1 . 2]" 1
152 1 13 SER HB3 1 15 VAL H . . 5.120 2.662 2.169 3.091 . 0 0 "[ . 1 . 2]" 1
153 1 13 SER HB3 1 15 VAL HB . . 5.860 4.270 3.068 5.429 . 0 0 "[ . 1 . 2]" 1
154 1 13 SER HB3 1 85 TYR HB2 . . 5.750 4.875 3.834 5.837 0.087 13 0 "[ . 1 . 2]" 1
155 1 13 SER HB3 1 85 TYR HB3 . . 5.410 3.213 2.238 4.167 . 0 0 "[ . 1 . 2]" 1
156 1 13 SER QB 1 14 PRO HD2 . . 5.140 2.750 2.117 3.321 . 0 0 "[ . 1 . 2]" 1
157 1 13 SER QB 1 14 PRO HD3 . . 5.250 3.893 3.487 4.265 . 0 0 "[ . 1 . 2]" 1
158 1 13 SER QB 1 14 PRO HG2 . . 5.520 4.398 3.754 4.967 . 0 0 "[ . 1 . 2]" 1
159 1 13 SER QB 1 14 PRO HG3 . . 5.800 5.192 4.628 5.683 . 0 0 "[ . 1 . 2]" 1
160 1 13 SER QB 1 14 PRO QB . . 5.800 5.054 4.657 5.412 . 0 0 "[ . 1 . 2]" 1
161 1 13 SER QB 1 15 VAL H . . 4.780 2.559 2.115 2.976 . 0 0 "[ . 1 . 2]" 1
162 1 13 SER QB 1 15 VAL QG . . 5.390 3.143 2.104 3.990 . 0 0 "[ . 1 . 2]" 1
163 1 13 SER QB 1 16 VAL QG . . 5.780 3.891 3.655 4.086 . 0 0 "[ . 1 . 2]" 1
164 1 13 SER QB 1 59 VAL QG . . 5.530 4.485 4.297 4.608 . 0 0 "[ . 1 . 2]" 1
165 1 13 SER QB 1 62 ALA MB . . 5.800 4.424 4.177 4.645 . 0 0 "[ . 1 . 2]" 1
166 1 13 SER QB 1 85 TYR HA . . 5.260 3.563 3.407 3.698 . 0 0 "[ . 1 . 2]" 1
167 1 13 SER QB 1 85 TYR HB2 . . 5.390 3.908 3.681 4.116 . 0 0 "[ . 1 . 2]" 1
168 1 13 SER QB 1 85 TYR HB3 . . 5.100 2.326 2.200 2.511 . 0 0 "[ . 1 . 2]" 1
169 1 13 SER QB 1 85 TYR QD . . 5.190 3.236 2.529 3.557 . 0 0 "[ . 1 . 2]" 1
170 1 13 SER QB 1 89 GLN H . . 5.800 5.158 4.947 5.347 . 0 0 "[ . 1 . 2]" 1
171 1 13 SER QB 1 89 GLN HA . . 4.710 3.043 2.483 3.462 . 0 0 "[ . 1 . 2]" 1
172 1 13 SER QB 1 89 GLN HE21 . . 4.710 3.859 3.040 4.732 0.022 16 0 "[ . 1 . 2]" 1
173 1 13 SER QB 1 89 GLN HE22 . . 4.660 3.082 2.272 3.951 . 0 0 "[ . 1 . 2]" 1
174 1 13 SER QB 1 89 GLN QB . . 5.480 4.656 4.310 4.872 . 0 0 "[ . 1 . 2]" 1
175 1 13 SER QB 1 89 GLN QG . . 5.720 4.360 4.108 4.655 . 0 0 "[ . 1 . 2]" 1
176 1 14 PRO HA 1 58 ASP HA . . 5.840 5.548 5.227 5.706 . 0 0 "[ . 1 . 2]" 1
177 1 14 PRO HA 1 59 VAL H . . 5.360 4.552 4.337 4.694 . 0 0 "[ . 1 . 2]" 1
178 1 14 PRO HA 1 59 VAL HA . . 4.520 2.168 2.073 2.247 . 0 0 "[ . 1 . 2]" 1
179 1 14 PRO HA 1 59 VAL HB . . 5.310 4.011 3.454 5.015 . 0 0 "[ . 1 . 2]" 1
180 1 14 PRO HA 1 59 VAL QG . . 4.960 2.613 2.462 2.778 . 0 0 "[ . 1 . 2]" 1
181 1 14 PRO HA 1 60 LEU H . . 5.730 5.587 5.506 5.664 . 0 0 "[ . 1 . 2]" 1
182 1 14 PRO HA 1 61 GLY H . . 5.860 5.706 5.605 5.844 . 0 0 "[ . 1 . 2]" 1
183 1 14 PRO HA 1 62 ALA H . . 5.400 4.071 3.906 4.335 . 0 0 "[ . 1 . 2]" 1
184 1 14 PRO HA 1 62 ALA MB . . 4.490 2.322 2.146 2.612 . 0 0 "[ . 1 . 2]" 1
185 1 14 PRO HD2 1 15 VAL H . . 5.280 2.729 2.510 3.020 . 0 0 "[ . 1 . 2]" 1
186 1 14 PRO HD2 1 15 VAL QG . . 5.460 3.006 2.479 3.313 . 0 0 "[ . 1 . 2]" 1
187 1 14 PRO HD2 1 59 VAL QG . . 5.270 4.131 3.640 4.418 . 0 0 "[ . 1 . 2]" 1
188 1 14 PRO HD2 1 89 GLN HE21 . . 5.480 4.987 4.727 5.366 . 0 0 "[ . 1 . 2]" 1
189 1 14 PRO HD2 1 89 GLN QB . . 4.760 3.390 3.183 3.561 . 0 0 "[ . 1 . 2]" 1
190 1 14 PRO HD3 1 15 VAL H . . 5.320 3.859 3.720 4.037 . 0 0 "[ . 1 . 2]" 1
191 1 14 PRO HD3 1 15 VAL QG . . 5.660 4.315 3.974 4.547 . 0 0 "[ . 1 . 2]" 1
192 1 14 PRO HD3 1 59 VAL HA . . 5.540 4.652 4.331 5.038 . 0 0 "[ . 1 . 2]" 1
193 1 14 PRO HD3 1 59 VAL HB . . 5.560 4.339 3.536 5.624 0.064 4 0 "[ . 1 . 2]" 1
194 1 14 PRO HD3 1 59 VAL QG . . 4.800 2.971 2.240 3.374 . 0 0 "[ . 1 . 2]" 1
195 1 14 PRO HD3 1 89 GLN HA . . 5.430 4.074 3.907 4.195 . 0 0 "[ . 1 . 2]" 1
196 1 14 PRO HD3 1 89 GLN HE21 . . 6.000 5.723 5.586 5.849 . 0 0 "[ . 1 . 2]" 1
197 1 14 PRO HD3 1 89 GLN HE22 . . 5.250 4.518 4.322 4.657 . 0 0 "[ . 1 . 2]" 1
198 1 14 PRO HD3 1 89 GLN HG2 . . 5.860 5.892 5.724 5.974 0.114 2 0 "[ . 1 . 2]" 1
199 1 14 PRO HD3 1 89 GLN HG3 . . 5.860 5.558 5.373 5.716 . 0 0 "[ . 1 . 2]" 1
200 1 14 PRO HD3 1 89 GLN QB . . 5.800 4.099 3.922 4.250 . 0 0 "[ . 1 . 2]" 1
201 1 14 PRO HG2 1 15 VAL H . . 5.100 3.008 2.790 3.419 . 0 0 "[ . 1 . 2]" 1
202 1 14 PRO HG2 1 15 VAL QG . . 4.710 2.376 2.148 2.772 . 0 0 "[ . 1 . 2]" 1
203 1 14 PRO HG2 1 89 GLN HA . . 5.600 3.763 3.551 4.108 . 0 0 "[ . 1 . 2]" 1
204 1 14 PRO HG2 1 90 LYS H . . 6.000 5.272 5.122 5.461 . 0 0 "[ . 1 . 2]" 1
205 1 14 PRO HG3 1 15 VAL H . . 5.590 4.385 4.180 4.728 . 0 0 "[ . 1 . 2]" 1
206 1 14 PRO HG3 1 15 VAL QG . . 5.320 3.874 3.624 4.152 . 0 0 "[ . 1 . 2]" 1
207 1 14 PRO HG3 1 59 VAL QG . . 5.360 4.210 3.262 4.645 . 0 0 "[ . 1 . 2]" 1
208 1 14 PRO QB 1 15 VAL H . . 5.190 3.733 3.628 3.905 . 0 0 "[ . 1 . 2]" 1
209 1 14 PRO QB 1 15 VAL QG . . 5.520 3.609 3.089 4.123 . 0 0 "[ . 1 . 2]" 1
210 1 14 PRO QB 1 56 PHE H . . 5.500 3.391 3.132 3.724 . 0 0 "[ . 1 . 2]" 1
211 1 14 PRO QB 1 58 ASP HA . . 5.690 4.202 4.006 4.435 . 0 0 "[ . 1 . 2]" 1
212 1 14 PRO QB 1 59 VAL H . . 5.340 3.657 3.484 3.856 . 0 0 "[ . 1 . 2]" 1
213 1 14 PRO QB 1 59 VAL HA . . 5.050 2.911 2.643 3.212 . 0 0 "[ . 1 . 2]" 1
214 1 14 PRO QB 1 59 VAL QG . . 5.330 2.880 2.049 3.245 . 0 0 "[ . 1 . 2]" 1
215 1 14 PRO QB 1 62 ALA H . . 5.860 5.093 4.884 5.455 . 0 0 "[ . 1 . 2]" 1
216 1 14 PRO QB 1 62 ALA MB . . 5.510 3.669 3.494 3.955 . 0 0 "[ . 1 . 2]" 1
217 1 14 PRO QB 1 89 GLN HA . . 5.710 5.437 5.305 5.707 . 0 0 "[ . 1 . 2]" 1
218 1 15 VAL H 1 16 VAL H . . 5.530 4.509 4.357 4.578 . 0 0 "[ . 1 . 2]" 1
219 1 15 VAL H 1 16 VAL QG . . 5.720 3.880 3.630 4.071 . 0 0 "[ . 1 . 2]" 1
220 1 15 VAL H 1 56 PHE H . . 5.710 4.896 4.829 4.970 . 0 0 "[ . 1 . 2]" 1
221 1 15 VAL H 1 59 VAL QG . . 5.800 4.585 4.432 4.720 . 0 0 "[ . 1 . 2]" 1
222 1 15 VAL H 1 62 ALA MB . . 5.540 3.776 3.340 4.028 . 0 0 "[ . 1 . 2]" 1
223 1 15 VAL H 1 85 TYR HA . . 5.490 5.201 4.735 5.433 . 0 0 "[ . 1 . 2]" 1
224 1 15 VAL H 1 85 TYR HB3 . . 5.860 5.003 4.460 5.326 . 0 0 "[ . 1 . 2]" 1
225 1 15 VAL H 1 85 TYR QD . . 5.520 4.586 4.047 4.980 . 0 0 "[ . 1 . 2]" 1
226 1 15 VAL H 1 89 GLN HA . . 5.390 3.995 3.673 4.544 . 0 0 "[ . 1 . 2]" 1
227 1 15 VAL HA 1 16 VAL H . . 4.300 2.260 2.225 2.318 . 0 0 "[ . 1 . 2]" 1
228 1 15 VAL HA 1 16 VAL MG1 . . 5.610 3.337 3.108 3.472 . 0 0 "[ . 1 . 2]" 1
229 1 15 VAL HA 1 16 VAL MG2 . . 5.610 3.713 3.446 3.915 . 0 0 "[ . 1 . 2]" 1
230 1 15 VAL HA 1 16 VAL QG . . 5.230 3.106 2.927 3.205 . 0 0 "[ . 1 . 2]" 1
231 1 15 VAL HA 1 54 VAL QG . . 5.800 4.572 4.417 4.703 . 0 0 "[ . 1 . 2]" 1
232 1 15 VAL HA 1 55 GLU H . . 5.710 4.748 4.585 4.875 . 0 0 "[ . 1 . 2]" 1
233 1 15 VAL HA 1 55 GLU QB . . 5.490 3.334 3.088 3.702 . 0 0 "[ . 1 . 2]" 1
234 1 15 VAL HA 1 55 GLU QG . . 5.610 3.347 2.999 3.764 . 0 0 "[ . 1 . 2]" 1
235 1 15 VAL HA 1 56 PHE H . . 4.830 3.269 3.038 3.477 . 0 0 "[ . 1 . 2]" 1
236 1 15 VAL HA 1 56 PHE HB2 . . 5.630 4.995 4.586 5.278 . 0 0 "[ . 1 . 2]" 1
237 1 15 VAL HA 1 56 PHE QD . . 5.540 3.769 3.345 4.098 . 0 0 "[ . 1 . 2]" 1
238 1 15 VAL HB 1 16 VAL H . . 5.840 3.766 2.810 3.988 . 0 0 "[ . 1 . 2]" 1
239 1 15 VAL HB 1 86 SER QB . . 5.100 3.057 1.979 4.441 . 0 0 "[ . 1 . 2]" 1
240 1 15 VAL HB 1 90 LYS H . . 5.860 4.905 4.405 5.896 0.036 13 0 "[ . 1 . 2]" 1
241 1 15 VAL HB 1 91 ILE MD . . 4.730 4.141 2.458 4.810 0.080 20 0 "[ . 1 . 2]" 1
242 1 15 VAL MG1 1 16 VAL H . . 5.200 3.104 2.276 4.156 . 0 0 "[ . 1 . 2]" 1
243 1 15 VAL MG1 1 55 GLU HA . . 5.360 3.418 2.706 4.489 . 0 0 "[ . 1 . 2]" 1
244 1 15 VAL MG1 1 90 LYS H . . 5.490 3.894 2.876 4.564 . 0 0 "[ . 1 . 2]" 1
245 1 15 VAL MG2 1 16 VAL H . . 5.200 3.383 2.269 4.091 . 0 0 "[ . 1 . 2]" 1
246 1 15 VAL MG2 1 55 GLU HA . . 5.360 3.216 2.790 4.214 . 0 0 "[ . 1 . 2]" 1
247 1 15 VAL MG2 1 90 LYS H . . 5.490 3.517 2.935 4.547 . 0 0 "[ . 1 . 2]" 1
248 1 15 VAL QG 1 16 VAL H . . 4.380 2.410 2.256 2.963 . 0 0 "[ . 1 . 2]" 1
249 1 15 VAL QG 1 17 HIS H . . 5.670 4.484 4.321 4.705 . 0 0 "[ . 1 . 2]" 1
250 1 15 VAL QG 1 53 LEU HA . . 5.860 4.184 3.930 4.975 . 0 0 "[ . 1 . 2]" 1
251 1 15 VAL QG 1 54 VAL H . . 5.430 3.212 2.857 4.147 . 0 0 "[ . 1 . 2]" 1
252 1 15 VAL QG 1 55 GLU HA . . 4.810 2.808 2.593 3.218 . 0 0 "[ . 1 . 2]" 1
253 1 15 VAL QG 1 55 GLU QB . . 4.900 2.278 2.036 2.730 . 0 0 "[ . 1 . 2]" 1
254 1 15 VAL QG 1 55 GLU QG . . 4.840 2.540 2.005 3.435 . 0 0 "[ . 1 . 2]" 1
255 1 15 VAL QG 1 56 PHE H . . 5.650 3.937 3.317 4.586 . 0 0 "[ . 1 . 2]" 1
256 1 15 VAL QG 1 85 TYR HA . . 5.330 4.731 4.317 5.110 . 0 0 "[ . 1 . 2]" 1
257 1 15 VAL QG 1 86 SER H . . 5.790 3.364 2.894 3.801 . 0 0 "[ . 1 . 2]" 1
258 1 15 VAL QG 1 86 SER HA . . 5.550 4.252 4.053 4.390 . 0 0 "[ . 1 . 2]" 1
259 1 15 VAL QG 1 86 SER QB . . 4.690 1.991 1.828 2.147 . 0 0 "[ . 1 . 2]" 1
260 1 15 VAL QG 1 89 GLN HA . . 5.280 2.988 2.691 3.205 . 0 0 "[ . 1 . 2]" 1
261 1 15 VAL QG 1 89 GLN HE21 . . 5.840 5.813 5.599 5.910 0.070 3 0 "[ . 1 . 2]" 1
262 1 15 VAL QG 1 89 GLN HE22 . . 5.840 5.616 5.234 5.835 . 0 0 "[ . 1 . 2]" 1
263 1 15 VAL QG 1 89 GLN QG . . 5.780 4.897 4.594 5.080 . 0 0 "[ . 1 . 2]" 1
264 1 15 VAL QG 1 90 LYS H . . 5.170 2.969 2.844 3.167 . 0 0 "[ . 1 . 2]" 1
265 1 15 VAL QG 1 90 LYS HA . . 4.730 2.273 1.989 2.793 . 0 0 "[ . 1 . 2]" 1
266 1 15 VAL QG 1 91 ILE H . . 5.310 2.965 2.558 3.517 . 0 0 "[ . 1 . 2]" 1
267 1 16 VAL H 1 53 LEU HA . . 5.560 4.604 4.464 4.750 . 0 0 "[ . 1 . 2]" 1
268 1 16 VAL H 1 53 LEU QD . . 5.510 4.433 3.680 4.785 . 0 0 "[ . 1 . 2]" 1
269 1 16 VAL H 1 54 VAL H . . 4.920 2.866 2.768 2.964 . 0 0 "[ . 1 . 2]" 1
270 1 16 VAL H 1 54 VAL HA . . 5.640 4.851 4.808 4.913 . 0 0 "[ . 1 . 2]" 1
271 1 16 VAL H 1 54 VAL HB . . 5.300 3.936 3.831 4.040 . 0 0 "[ . 1 . 2]" 1
272 1 16 VAL H 1 54 VAL QG . . 5.410 4.063 3.980 4.152 . 0 0 "[ . 1 . 2]" 1
273 1 16 VAL H 1 55 GLU H . . 5.730 4.953 4.923 5.006 . 0 0 "[ . 1 . 2]" 1
274 1 16 VAL H 1 56 PHE QD . . 5.330 4.272 4.099 4.419 . 0 0 "[ . 1 . 2]" 1
275 1 16 VAL H 1 56 PHE QE . . 5.830 4.671 4.384 4.893 . 0 0 "[ . 1 . 2]" 1
276 1 16 VAL H 1 62 ALA HA . . 5.860 5.587 5.350 5.791 . 0 0 "[ . 1 . 2]" 1
277 1 16 VAL H 1 66 VAL QG . . 5.840 5.639 5.496 5.848 0.008 20 0 "[ . 1 . 2]" 1
278 1 16 VAL H 1 85 TYR HA . . 5.520 4.918 4.784 5.037 . 0 0 "[ . 1 . 2]" 1
279 1 16 VAL H 1 86 SER QB . . 5.770 3.741 3.505 3.992 . 0 0 "[ . 1 . 2]" 1
280 1 16 VAL HA 1 17 HIS H . . 4.350 2.138 2.105 2.180 . 0 0 "[ . 1 . 2]" 1
281 1 16 VAL HA 1 17 HIS HB2 . . 5.770 4.214 4.084 4.517 . 0 0 "[ . 1 . 2]" 1
282 1 16 VAL HA 1 17 HIS HB3 . . 5.770 4.265 3.980 4.444 . 0 0 "[ . 1 . 2]" 1
283 1 16 VAL HA 1 17 HIS QB . . 5.420 3.765 3.726 3.801 . 0 0 "[ . 1 . 2]" 1
284 1 16 VAL HA 1 62 ALA MB . . 5.640 4.622 4.538 4.734 . 0 0 "[ . 1 . 2]" 1
285 1 16 VAL HA 1 66 VAL QG . . 5.520 4.145 3.960 4.337 . 0 0 "[ . 1 . 2]" 1
286 1 16 VAL HA 1 84 ASN H . . 6.000 4.494 4.299 4.692 . 0 0 "[ . 1 . 2]" 1
287 1 16 VAL HA 1 84 ASN HA . . 5.560 5.454 5.363 5.557 . 0 0 "[ . 1 . 2]" 1
288 1 16 VAL HA 1 84 ASN QB . . 5.860 5.286 5.114 5.400 . 0 0 "[ . 1 . 2]" 1
289 1 16 VAL HA 1 85 TYR H . . 5.280 4.733 4.657 4.849 . 0 0 "[ . 1 . 2]" 1
290 1 16 VAL HA 1 85 TYR HA . . 4.830 2.275 2.141 2.391 . 0 0 "[ . 1 . 2]" 1
291 1 16 VAL HA 1 85 TYR HB2 . . 5.660 5.119 4.964 5.235 . 0 0 "[ . 1 . 2]" 1
292 1 16 VAL HA 1 85 TYR HB3 . . 5.590 4.342 4.188 4.424 . 0 0 "[ . 1 . 2]" 1
293 1 16 VAL HA 1 85 TYR QD . . 5.200 4.191 3.849 4.382 . 0 0 "[ . 1 . 2]" 1
294 1 16 VAL HA 1 86 SER H . . 5.480 2.366 2.220 2.546 . 0 0 "[ . 1 . 2]" 1
295 1 16 VAL HA 1 86 SER HB2 . . 5.860 3.134 2.971 3.312 . 0 0 "[ . 1 . 2]" 1
296 1 16 VAL HA 1 86 SER HB3 . . 5.860 3.807 3.675 3.971 . 0 0 "[ . 1 . 2]" 1
297 1 16 VAL HB 1 17 HIS H . . 4.650 2.803 2.695 2.889 . 0 0 "[ . 1 . 2]" 1
298 1 16 VAL HB 1 18 ILE HG12 . . 5.860 5.023 4.891 5.157 . 0 0 "[ . 1 . 2]" 1
299 1 16 VAL HB 1 18 ILE HG13 . . 5.860 4.918 4.755 5.060 . 0 0 "[ . 1 . 2]" 1
300 1 16 VAL HB 1 18 ILE MD . . 5.410 5.457 5.397 5.510 0.100 15 0 "[ . 1 . 2]" 1
301 1 16 VAL HB 1 18 ILE QG . . 5.610 4.424 4.361 4.492 . 0 0 "[ . 1 . 2]" 1
302 1 16 VAL HB 1 54 VAL H . . 5.630 5.338 5.248 5.495 . 0 0 "[ . 1 . 2]" 1
303 1 16 VAL HB 1 54 VAL HB . . 5.290 5.326 5.226 5.387 0.097 9 0 "[ . 1 . 2]" 1
304 1 16 VAL HB 1 54 VAL QG . . 5.730 5.402 5.279 5.457 . 0 0 "[ . 1 . 2]" 1
305 1 16 VAL HB 1 56 PHE QD . . 5.860 5.828 5.672 5.931 0.071 13 0 "[ . 1 . 2]" 1
306 1 16 VAL HB 1 56 PHE QE . . 5.360 4.982 4.839 5.080 . 0 0 "[ . 1 . 2]" 1
307 1 16 VAL HB 1 66 VAL QG . . 5.420 2.949 2.746 3.171 . 0 0 "[ . 1 . 2]" 1
308 1 16 VAL HB 1 83 VAL HB . . 5.860 5.014 4.788 5.154 . 0 0 "[ . 1 . 2]" 1
309 1 16 VAL HB 1 83 VAL MG1 . . 5.380 3.238 2.182 4.100 . 0 0 "[ . 1 . 2]" 1
310 1 16 VAL HB 1 83 VAL MG2 . . 5.380 3.301 2.070 4.852 . 0 0 "[ . 1 . 2]" 1
311 1 16 VAL HB 1 83 VAL QG . . 4.570 2.196 2.062 2.387 . 0 0 "[ . 1 . 2]" 1
312 1 16 VAL HB 1 84 ASN QB . . 5.860 5.047 4.973 5.120 . 0 0 "[ . 1 . 2]" 1
313 1 16 VAL HB 1 85 TYR HA . . 5.650 3.314 3.190 3.477 . 0 0 "[ . 1 . 2]" 1
314 1 16 VAL MG1 1 17 HIS H . . 5.340 3.830 3.714 3.919 . 0 0 "[ . 1 . 2]" 1
315 1 16 VAL MG1 1 55 GLU HA . . 5.860 4.494 4.252 4.721 . 0 0 "[ . 1 . 2]" 1
316 1 16 VAL MG1 1 56 PHE H . . 5.800 4.683 4.458 4.927 . 0 0 "[ . 1 . 2]" 1
317 1 16 VAL MG1 1 56 PHE QD . . 5.030 3.321 3.067 3.609 . 0 0 "[ . 1 . 2]" 1
318 1 16 VAL MG1 1 56 PHE QE . . 4.940 3.475 3.277 3.662 . 0 0 "[ . 1 . 2]" 1
319 1 16 VAL MG1 1 62 ALA H . . 5.740 4.600 4.476 4.777 . 0 0 "[ . 1 . 2]" 1
320 1 16 VAL MG1 1 62 ALA HA . . 5.020 2.678 2.531 2.879 . 0 0 "[ . 1 . 2]" 1
321 1 16 VAL MG1 1 62 ALA MB . . 4.830 1.958 1.929 2.018 . 0 0 "[ . 1 . 2]" 1
322 1 16 VAL MG1 1 63 CYS H . . 5.860 4.571 4.497 4.681 . 0 0 "[ . 1 . 2]" 1
323 1 16 VAL MG1 1 85 TYR H . . 5.860 4.186 3.932 4.432 . 0 0 "[ . 1 . 2]" 1
324 1 16 VAL MG2 1 17 HIS H . . 5.340 3.711 3.633 3.792 . 0 0 "[ . 1 . 2]" 1
325 1 16 VAL MG2 1 55 GLU HA . . 5.860 4.160 3.919 4.395 . 0 0 "[ . 1 . 2]" 1
326 1 16 VAL MG2 1 56 PHE H . . 5.800 4.873 4.651 5.060 . 0 0 "[ . 1 . 2]" 1
327 1 16 VAL MG2 1 56 PHE QD . . 5.030 3.162 3.074 3.243 . 0 0 "[ . 1 . 2]" 1
328 1 16 VAL MG2 1 56 PHE QE . . 4.940 2.313 2.228 2.395 . 0 0 "[ . 1 . 2]" 1
329 1 16 VAL MG2 1 62 ALA H . . 5.740 5.651 5.583 5.713 . 0 0 "[ . 1 . 2]" 1
330 1 16 VAL MG2 1 62 ALA HA . . 5.020 3.364 3.316 3.397 . 0 0 "[ . 1 . 2]" 1
331 1 16 VAL MG2 1 62 ALA MB . . 4.830 3.498 3.360 3.593 . 0 0 "[ . 1 . 2]" 1
332 1 16 VAL MG2 1 63 CYS H . . 5.860 6.112 6.063 6.157 0.297 3 0 "[ . 1 . 2]" 1
333 1 16 VAL MG2 1 85 TYR H . . 5.860 6.019 5.954 6.094 0.234 8 0 "[ . 1 . 2]" 1
334 1 16 VAL QG 1 17 HIS H . . 4.730 3.355 3.303 3.390 . 0 0 "[ . 1 . 2]" 1
335 1 16 VAL QG 1 17 HIS QB . . 5.760 4.494 4.457 4.514 . 0 0 "[ . 1 . 2]" 1
336 1 16 VAL QG 1 18 ILE MD . . 4.950 3.407 3.324 3.572 . 0 0 "[ . 1 . 2]" 1
337 1 16 VAL QG 1 18 ILE QG . . 5.770 3.061 2.984 3.240 . 0 0 "[ . 1 . 2]" 1
338 1 16 VAL QG 1 37 PHE QD . . 5.840 5.492 5.369 5.581 . 0 0 "[ . 1 . 2]" 1
339 1 16 VAL QG 1 40 ILE MD . . 5.460 5.069 4.914 5.192 . 0 0 "[ . 1 . 2]" 1
340 1 16 VAL QG 1 53 LEU HA . . 5.450 4.277 4.117 4.527 . 0 0 "[ . 1 . 2]" 1
341 1 16 VAL QG 1 54 VAL H . . 4.690 3.224 3.115 3.369 . 0 0 "[ . 1 . 2]" 1
342 1 16 VAL QG 1 54 VAL HA . . 5.570 4.615 4.541 4.667 . 0 0 "[ . 1 . 2]" 1
343 1 16 VAL QG 1 54 VAL HB . . 4.380 2.595 2.508 2.678 . 0 0 "[ . 1 . 2]" 1
344 1 16 VAL QG 1 54 VAL QG . . 4.440 2.972 2.863 3.077 . 0 0 "[ . 1 . 2]" 1
345 1 16 VAL QG 1 55 GLU HA . . 5.630 3.831 3.688 3.999 . 0 0 "[ . 1 . 2]" 1
346 1 16 VAL QG 1 56 PHE H . . 5.400 4.247 4.090 4.419 . 0 0 "[ . 1 . 2]" 1
347 1 16 VAL QG 1 56 PHE HA . . 5.780 5.576 5.471 5.693 . 0 0 "[ . 1 . 2]" 1
348 1 16 VAL QG 1 56 PHE HB2 . . 5.740 4.449 4.299 4.582 . 0 0 "[ . 1 . 2]" 1
349 1 16 VAL QG 1 56 PHE HB3 . . 5.770 5.519 5.374 5.632 . 0 0 "[ . 1 . 2]" 1
350 1 16 VAL QG 1 56 PHE HZ . . 5.290 3.957 3.852 4.055 . 0 0 "[ . 1 . 2]" 1
351 1 16 VAL QG 1 56 PHE QD . . 4.710 2.876 2.761 2.940 . 0 0 "[ . 1 . 2]" 1
352 1 16 VAL QG 1 56 PHE QE . . 4.450 2.281 2.194 2.356 . 0 0 "[ . 1 . 2]" 1
353 1 16 VAL QG 1 61 GLY QA . . 5.840 5.317 5.245 5.415 . 0 0 "[ . 1 . 2]" 1
354 1 16 VAL QG 1 62 ALA H . . 5.440 4.407 4.317 4.530 . 0 0 "[ . 1 . 2]" 1
355 1 16 VAL QG 1 62 ALA HA . . 4.480 2.577 2.462 2.726 . 0 0 "[ . 1 . 2]" 1
356 1 16 VAL QG 1 62 ALA MB . . 4.270 1.948 1.921 2.005 . 0 0 "[ . 1 . 2]" 1
357 1 16 VAL QG 1 63 CYS H . . 5.580 4.449 4.391 4.536 . 0 0 "[ . 1 . 2]" 1
358 1 16 VAL QG 1 65 ALA H . . 5.840 4.179 4.035 4.320 . 0 0 "[ . 1 . 2]" 1
359 1 16 VAL QG 1 66 VAL H . . 5.840 3.763 3.592 3.903 . 0 0 "[ . 1 . 2]" 1
360 1 16 VAL QG 1 66 VAL HA . . 5.230 4.570 4.396 4.732 . 0 0 "[ . 1 . 2]" 1
361 1 16 VAL QG 1 66 VAL QG . . 4.470 2.205 2.027 2.355 . 0 0 "[ . 1 . 2]" 1
362 1 16 VAL QG 1 67 ASN H . . 5.840 5.659 5.464 5.835 . 0 0 "[ . 1 . 2]" 1
363 1 16 VAL QG 1 83 VAL HA . . 5.610 4.590 4.459 4.690 . 0 0 "[ . 1 . 2]" 1
364 1 16 VAL QG 1 83 VAL QG . . 3.900 2.161 2.059 2.308 . 0 0 "[ . 1 . 2]" 1
365 1 16 VAL QG 1 84 ASN H . . 5.840 3.942 3.813 4.108 . 0 0 "[ . 1 . 2]" 1
366 1 16 VAL QG 1 84 ASN QB . . 5.840 4.970 4.893 5.095 . 0 0 "[ . 1 . 2]" 1
367 1 16 VAL QG 1 85 TYR H . . 5.290 4.111 3.885 4.326 . 0 0 "[ . 1 . 2]" 1
368 1 16 VAL QG 1 85 TYR HB3 . . 5.630 3.807 3.641 4.026 . 0 0 "[ . 1 . 2]" 1
369 1 16 VAL QG 1 85 TYR QD . . 4.820 2.359 2.236 2.487 . 0 0 "[ . 1 . 2]" 1
370 1 16 VAL QG 1 85 TYR QE . . 5.840 3.509 3.227 3.705 . 0 0 "[ . 1 . 2]" 1
371 1 17 HIS H 1 18 ILE H . . 5.710 4.518 4.489 4.533 . 0 0 "[ . 1 . 2]" 1
372 1 17 HIS H 1 18 ILE HA . . 5.640 5.125 5.066 5.155 . 0 0 "[ . 1 . 2]" 1
373 1 17 HIS H 1 66 VAL QG . . 5.520 4.444 4.230 4.678 . 0 0 "[ . 1 . 2]" 1
374 1 17 HIS H 1 83 VAL HA . . 5.700 4.756 4.612 4.834 . 0 0 "[ . 1 . 2]" 1
375 1 17 HIS H 1 83 VAL MG1 . . 5.790 4.693 3.485 5.677 . 0 0 "[ . 1 . 2]" 1
376 1 17 HIS H 1 83 VAL MG2 . . 5.790 4.415 3.335 5.694 . 0 0 "[ . 1 . 2]" 1
377 1 17 HIS H 1 83 VAL QG . . 5.100 3.472 3.308 3.654 . 0 0 "[ . 1 . 2]" 1
378 1 17 HIS H 1 84 ASN H . . 5.390 3.039 2.941 3.152 . 0 0 "[ . 1 . 2]" 1
379 1 17 HIS H 1 84 ASN HA . . 5.510 4.846 4.818 4.872 . 0 0 "[ . 1 . 2]" 1
380 1 17 HIS H 1 85 TYR H . . 5.670 4.700 4.651 4.740 . 0 0 "[ . 1 . 2]" 1
381 1 17 HIS H 1 85 TYR HA . . 5.440 3.414 3.335 3.485 . 0 0 "[ . 1 . 2]" 1
382 1 17 HIS H 1 85 TYR QD . . 6.000 5.608 5.442 5.725 . 0 0 "[ . 1 . 2]" 1
383 1 17 HIS H 1 86 SER HA . . 5.660 3.649 3.403 3.789 . 0 0 "[ . 1 . 2]" 1
384 1 17 HIS H 1 86 SER QB . . 5.580 3.392 3.231 3.477 . 0 0 "[ . 1 . 2]" 1
385 1 17 HIS HB2 1 18 ILE H . . 5.820 4.129 3.915 4.218 . 0 0 "[ . 1 . 2]" 1
386 1 17 HIS HB2 1 86 SER HA . . 5.620 2.629 2.333 3.054 . 0 0 "[ . 1 . 2]" 1
387 1 17 HIS HB3 1 18 ILE H . . 5.820 4.143 4.046 4.297 . 0 0 "[ . 1 . 2]" 1
388 1 17 HIS HB3 1 86 SER HA . . 5.620 3.256 2.855 3.623 . 0 0 "[ . 1 . 2]" 1
389 1 17 HIS HE1 1 46 MET ME . . 5.550 2.881 1.915 4.962 . 0 0 "[ . 1 . 2]" 1
390 1 17 HIS HE1 1 51 GLN HE21 . . 5.860 3.643 2.383 5.522 . 0 0 "[ . 1 . 2]" 1
391 1 17 HIS QB 1 53 LEU QD . . 5.380 3.007 2.132 3.633 . 0 0 "[ . 1 . 2]" 1
392 1 17 HIS QB 1 54 VAL H . . 5.800 5.389 5.206 5.517 . 0 0 "[ . 1 . 2]" 1
393 1 17 HIS QB 1 84 ASN H . . 5.750 3.638 3.494 3.836 . 0 0 "[ . 1 . 2]" 1
394 1 17 HIS QB 1 86 SER QB . . 5.520 2.798 2.573 3.058 . 0 0 "[ . 1 . 2]" 1
395 1 18 ILE H 1 18 ILE HG12 . . 5.580 3.841 3.769 3.958 . 0 0 "[ . 1 . 2]" 1
396 1 18 ILE H 1 18 ILE HG13 . . 5.580 2.599 2.538 2.691 . 0 0 "[ . 1 . 2]" 1
397 1 18 ILE H 1 18 ILE MD . . 5.340 3.789 3.685 3.876 . 0 0 "[ . 1 . 2]" 1
398 1 18 ILE H 1 52 ALA H . . 5.350 2.851 2.701 3.026 . 0 0 "[ . 1 . 2]" 1
399 1 18 ILE H 1 52 ALA HA . . 5.810 4.809 4.742 4.881 . 0 0 "[ . 1 . 2]" 1
400 1 18 ILE H 1 52 ALA MB . . 5.580 3.872 3.743 3.969 . 0 0 "[ . 1 . 2]" 1
401 1 18 ILE H 1 53 LEU HA . . 5.390 3.368 3.139 3.563 . 0 0 "[ . 1 . 2]" 1
402 1 18 ILE H 1 53 LEU QD . . 5.660 3.505 2.725 3.838 . 0 0 "[ . 1 . 2]" 1
403 1 18 ILE HA 1 19 ARG H . . 4.410 2.229 2.217 2.244 . 0 0 "[ . 1 . 2]" 1
404 1 18 ILE HA 1 21 LEU MD2 . . 5.650 4.696 4.539 4.867 . 0 0 "[ . 1 . 2]" 1
405 1 18 ILE HA 1 34 LEU QD . . 5.830 5.131 5.032 5.228 . 0 0 "[ . 1 . 2]" 1
406 1 18 ILE HA 1 81 ALA MB . . 5.840 4.528 4.363 4.739 . 0 0 "[ . 1 . 2]" 1
407 1 18 ILE HA 1 82 PHE H . . 5.450 4.528 4.374 4.798 . 0 0 "[ . 1 . 2]" 1
408 1 18 ILE HA 1 82 PHE HB2 . . 6.000 4.798 4.614 4.872 . 0 0 "[ . 1 . 2]" 1
409 1 18 ILE HA 1 82 PHE HB3 . . 6.000 5.936 5.057 6.049 0.049 17 0 "[ . 1 . 2]" 1
410 1 18 ILE HA 1 83 VAL H . . 5.580 5.001 4.911 5.097 . 0 0 "[ . 1 . 2]" 1
411 1 18 ILE HA 1 83 VAL HB . . 5.240 4.351 3.531 5.275 0.035 18 0 "[ . 1 . 2]" 1
412 1 18 ILE HA 1 84 ASN H . . 5.800 3.937 3.818 4.143 . 0 0 "[ . 1 . 2]" 1
413 1 18 ILE HB 1 19 ARG H . . 5.260 3.989 3.953 4.026 . 0 0 "[ . 1 . 2]" 1
414 1 18 ILE HB 1 21 LEU MD2 . . 5.260 2.768 2.573 2.988 . 0 0 "[ . 1 . 2]" 1
415 1 18 ILE HB 1 51 GLN HA . . 5.830 4.286 3.992 4.441 . 0 0 "[ . 1 . 2]" 1
416 1 18 ILE HB 1 52 ALA H . . 5.290 2.761 2.535 2.888 . 0 0 "[ . 1 . 2]" 1
417 1 18 ILE HB 1 52 ALA MB . . 4.990 2.231 2.130 2.342 . 0 0 "[ . 1 . 2]" 1
418 1 18 ILE HB 1 83 VAL HA . . 5.850 5.428 5.301 5.548 . 0 0 "[ . 1 . 2]" 1
419 1 18 ILE HB 1 83 VAL QG . . 5.840 4.349 4.070 4.781 . 0 0 "[ . 1 . 2]" 1
420 1 18 ILE HG12 1 34 LEU MD1 . . 6.000 3.251 3.100 3.362 . 0 0 "[ . 1 . 2]" 1
421 1 18 ILE HG12 1 34 LEU MD2 . . 6.000 4.181 4.056 4.285 . 0 0 "[ . 1 . 2]" 1
422 1 18 ILE HG13 1 34 LEU MD1 . . 6.000 3.879 3.796 3.957 . 0 0 "[ . 1 . 2]" 1
423 1 18 ILE HG13 1 34 LEU MD2 . . 6.000 5.289 5.189 5.404 . 0 0 "[ . 1 . 2]" 1
424 1 18 ILE MD 1 30 LEU H . . 5.860 5.823 5.728 5.884 0.024 9 0 "[ . 1 . 2]" 1
425 1 18 ILE MD 1 30 LEU HA . . 5.500 4.059 3.891 4.185 . 0 0 "[ . 1 . 2]" 1
426 1 18 ILE MD 1 30 LEU HB3 . . 4.950 3.319 3.128 3.472 . 0 0 "[ . 1 . 2]" 1
427 1 18 ILE MD 1 34 LEU HG . . 5.480 3.969 3.873 4.041 . 0 0 "[ . 1 . 2]" 1
428 1 18 ILE MD 1 34 LEU QD . . 4.200 1.957 1.919 1.993 . 0 0 "[ . 1 . 2]" 1
429 1 18 ILE MD 1 52 ALA H . . 5.730 4.289 4.088 4.438 . 0 0 "[ . 1 . 2]" 1
430 1 18 ILE MD 1 52 ALA MB . . 4.570 2.278 2.160 2.365 . 0 0 "[ . 1 . 2]" 1
431 1 18 ILE MD 1 53 LEU HA . . 5.370 3.775 3.545 4.070 . 0 0 "[ . 1 . 2]" 1
432 1 18 ILE MD 1 54 VAL H . . 5.240 4.075 3.968 4.174 . 0 0 "[ . 1 . 2]" 1
433 1 18 ILE MD 1 54 VAL HB . . 5.130 3.011 2.831 3.196 . 0 0 "[ . 1 . 2]" 1
434 1 18 ILE MD 1 54 VAL QG . . 5.320 2.182 2.076 2.320 . 0 0 "[ . 1 . 2]" 1
435 1 18 ILE MD 1 56 PHE QE . . 5.860 5.249 5.145 5.427 . 0 0 "[ . 1 . 2]" 1
436 1 18 ILE QG 1 34 LEU QD . . 5.020 2.999 2.885 3.073 . 0 0 "[ . 1 . 2]" 1
437 1 18 ILE QG 1 74 ILE MD . . 5.800 4.858 4.613 5.060 . 0 0 "[ . 1 . 2]" 1
438 1 18 ILE QG 1 83 VAL H . . 5.800 5.622 5.454 5.821 0.021 14 0 "[ . 1 . 2]" 1
439 1 18 ILE QG 1 83 VAL HA . . 5.800 3.486 3.362 3.613 . 0 0 "[ . 1 . 2]" 1
440 1 18 ILE QG 1 83 VAL HB . . 5.420 3.701 2.776 4.779 . 0 0 "[ . 1 . 2]" 1
441 1 18 ILE QG 1 83 VAL QG . . 4.200 2.122 2.013 2.328 . 0 0 "[ . 1 . 2]" 1
442 1 18 ILE QG 1 84 ASN H . . 5.800 4.334 4.204 4.489 . 0 0 "[ . 1 . 2]" 1
443 1 18 ILE MG 1 19 ARG H . . 4.530 2.376 2.351 2.411 . 0 0 "[ . 1 . 2]" 1
444 1 18 ILE MG 1 19 ARG HA . . 5.170 3.650 3.587 3.721 . 0 0 "[ . 1 . 2]" 1
445 1 18 ILE MG 1 20 GLY H . . 5.650 4.852 4.769 4.926 . 0 0 "[ . 1 . 2]" 1
446 1 18 ILE MG 1 20 GLY QA . . 5.800 4.953 4.875 5.019 . 0 0 "[ . 1 . 2]" 1
447 1 18 ILE MG 1 21 LEU H . . 5.360 3.656 3.562 3.848 . 0 0 "[ . 1 . 2]" 1
448 1 18 ILE MG 1 21 LEU HA . . 5.480 4.647 4.431 4.911 . 0 0 "[ . 1 . 2]" 1
449 1 18 ILE MG 1 21 LEU HB3 . . 5.190 2.860 2.672 3.092 . 0 0 "[ . 1 . 2]" 1
450 1 18 ILE MG 1 21 LEU MD2 . . 4.350 2.132 2.062 2.200 . 0 0 "[ . 1 . 2]" 1
451 1 18 ILE MG 1 30 LEU HA . . 5.760 5.363 5.274 5.489 . 0 0 "[ . 1 . 2]" 1
452 1 18 ILE MG 1 51 GLN HA . . 5.600 4.268 3.807 4.470 . 0 0 "[ . 1 . 2]" 1
453 1 18 ILE MG 1 52 ALA H . . 5.620 3.961 3.690 4.093 . 0 0 "[ . 1 . 2]" 1
454 1 18 ILE MG 1 52 ALA MB . . 5.250 3.113 3.004 3.204 . 0 0 "[ . 1 . 2]" 1
455 1 18 ILE MG 1 81 ALA HA . . 5.380 4.604 4.429 4.866 . 0 0 "[ . 1 . 2]" 1
456 1 18 ILE MG 1 81 ALA MB . . 4.200 2.483 2.343 2.677 . 0 0 "[ . 1 . 2]" 1
457 1 18 ILE MG 1 82 PHE H . . 5.030 3.480 3.305 3.708 . 0 0 "[ . 1 . 2]" 1
458 1 18 ILE MG 1 82 PHE HA . . 5.580 4.935 4.806 5.099 . 0 0 "[ . 1 . 2]" 1
459 1 18 ILE MG 1 82 PHE QD . . 5.710 5.354 5.240 5.729 0.019 20 0 "[ . 1 . 2]" 1
460 1 19 ARG H 1 19 ARG HD2 . . 5.720 4.878 4.836 4.931 . 0 0 "[ . 1 . 2]" 1
461 1 19 ARG H 1 20 GLY H . . 5.750 4.419 4.395 4.433 . 0 0 "[ . 1 . 2]" 1
462 1 19 ARG H 1 21 LEU HG . . 5.800 4.870 4.645 5.016 . 0 0 "[ . 1 . 2]" 1
463 1 19 ARG H 1 21 LEU MD2 . . 5.620 4.386 4.261 4.535 . 0 0 "[ . 1 . 2]" 1
464 1 19 ARG H 1 51 GLN HA . . 5.730 5.144 4.684 5.284 . 0 0 "[ . 1 . 2]" 1
465 1 19 ARG H 1 51 GLN HG2 . . 5.860 5.150 4.862 5.503 . 0 0 "[ . 1 . 2]" 1
466 1 19 ARG H 1 81 ALA MB . . 5.140 3.342 3.205 3.504 . 0 0 "[ . 1 . 2]" 1
467 1 19 ARG H 1 82 PHE H . . 5.100 2.826 2.704 3.085 . 0 0 "[ . 1 . 2]" 1
468 1 19 ARG H 1 82 PHE HA . . 5.630 4.924 4.666 5.056 . 0 0 "[ . 1 . 2]" 1
469 1 19 ARG H 1 82 PHE HB2 . . 5.630 3.501 3.179 3.608 . 0 0 "[ . 1 . 2]" 1
470 1 19 ARG H 1 82 PHE HB3 . . 5.380 5.019 4.326 5.134 . 0 0 "[ . 1 . 2]" 1
471 1 19 ARG H 1 82 PHE QD . . 5.620 4.168 4.064 4.748 . 0 0 "[ . 1 . 2]" 1
472 1 19 ARG H 1 83 VAL HA . . 5.480 3.756 3.614 4.086 . 0 0 "[ . 1 . 2]" 1
473 1 19 ARG H 1 83 VAL QG . . 5.710 4.184 3.646 4.824 . 0 0 "[ . 1 . 2]" 1
474 1 19 ARG HA 1 20 GLY H . . 4.730 2.315 2.264 2.352 . 0 0 "[ . 1 . 2]" 1
475 1 19 ARG HA 1 20 GLY QA . . 5.510 4.040 4.010 4.061 . 0 0 "[ . 1 . 2]" 1
476 1 19 ARG HA 1 21 LEU H . . 5.190 3.236 3.191 3.331 . 0 0 "[ . 1 . 2]" 1
477 1 19 ARG HA 1 21 LEU HG . . 5.110 3.432 3.275 3.634 . 0 0 "[ . 1 . 2]" 1
478 1 19 ARG HA 1 21 LEU MD2 . . 5.440 4.048 3.948 4.252 . 0 0 "[ . 1 . 2]" 1
479 1 19 ARG HA 1 51 GLN H . . 5.770 5.689 5.182 5.844 0.074 10 0 "[ . 1 . 2]" 1
480 1 19 ARG HA 1 51 GLN HA . . 5.030 3.016 2.682 3.135 . 0 0 "[ . 1 . 2]" 1
481 1 19 ARG HA 1 51 GLN HB2 . . 5.580 5.213 4.894 5.405 . 0 0 "[ . 1 . 2]" 1
482 1 19 ARG HA 1 51 GLN HE21 . . 6.000 5.826 4.915 6.097 0.097 16 0 "[ . 1 . 2]" 1
483 1 19 ARG HA 1 51 GLN HG2 . . 5.230 2.596 2.254 2.988 . 0 0 "[ . 1 . 2]" 1
484 1 19 ARG HA 1 51 GLN HG3 . . 5.340 3.890 3.455 4.060 . 0 0 "[ . 1 . 2]" 1
485 1 19 ARG HA 1 52 ALA MB . . 5.850 5.479 5.391 5.627 . 0 0 "[ . 1 . 2]" 1
486 1 19 ARG HA 1 82 PHE QD . . 5.860 4.861 4.589 5.554 . 0 0 "[ . 1 . 2]" 1
487 1 19 ARG HD2 1 21 LEU HG . . 5.730 4.567 4.443 4.844 . 0 0 "[ . 1 . 2]" 1
488 1 19 ARG HD3 1 51 GLN HE22 . . 5.750 4.514 3.580 4.820 . 0 0 "[ . 1 . 2]" 1
489 1 19 ARG QB 1 20 GLY H . . 5.840 3.542 3.516 3.596 . 0 0 "[ . 1 . 2]" 1
490 1 19 ARG QB 1 20 GLY QA . . 5.860 4.199 4.138 4.250 . 0 0 "[ . 1 . 2]" 1
491 1 19 ARG QB 1 51 GLN HE21 . . 5.860 5.710 4.953 5.905 0.045 2 0 "[ . 1 . 2]" 1
492 1 19 ARG QB 1 51 GLN HG3 . . 5.730 4.626 4.359 4.964 . 0 0 "[ . 1 . 2]" 1
493 1 19 ARG QB 1 82 PHE HB2 . . 5.830 2.900 2.489 3.198 . 0 0 "[ . 1 . 2]" 1
494 1 19 ARG QB 1 82 PHE HB3 . . 5.760 4.491 3.744 4.780 . 0 0 "[ . 1 . 2]" 1
495 1 19 ARG QB 1 82 PHE QD . . 5.650 2.826 2.356 3.438 . 0 0 "[ . 1 . 2]" 1
496 1 19 ARG QG 1 20 GLY H . . 5.230 2.489 2.383 2.742 . 0 0 "[ . 1 . 2]" 1
497 1 19 ARG QG 1 20 GLY QA . . 5.580 3.091 3.010 3.168 . 0 0 "[ . 1 . 2]" 1
498 1 19 ARG QG 1 51 GLN HA . . 5.810 5.487 5.392 5.606 . 0 0 "[ . 1 . 2]" 1
499 1 19 ARG QG 1 51 GLN HB3 . . 5.840 5.903 5.853 5.938 0.098 5 0 "[ . 1 . 2]" 1
500 1 19 ARG QG 1 51 GLN HG2 . . 5.230 3.995 3.913 4.108 . 0 0 "[ . 1 . 2]" 1
501 1 19 ARG QG 1 51 GLN HG3 . . 5.730 4.938 4.708 5.129 . 0 0 "[ . 1 . 2]" 1
502 1 19 ARG QG 1 82 PHE H . . 5.860 4.692 4.286 4.828 . 0 0 "[ . 1 . 2]" 1
503 1 19 ARG QG 1 82 PHE HB2 . . 5.740 4.129 3.546 4.307 . 0 0 "[ . 1 . 2]" 1
504 1 19 ARG QG 1 82 PHE HB3 . . 5.860 5.501 4.850 5.692 . 0 0 "[ . 1 . 2]" 1
505 1 19 ARG QG 1 82 PHE QD . . 5.230 2.823 2.545 3.038 . 0 0 "[ . 1 . 2]" 1
506 1 20 GLY H 1 21 LEU H . . 4.780 2.544 2.449 2.595 . 0 0 "[ . 1 . 2]" 1
507 1 20 GLY H 1 21 LEU HA . . 5.730 5.185 5.120 5.233 . 0 0 "[ . 1 . 2]" 1
508 1 20 GLY H 1 21 LEU HG . . 5.390 3.659 3.593 3.728 . 0 0 "[ . 1 . 2]" 1
509 1 20 GLY H 1 21 LEU MD1 . . 5.770 4.559 4.344 4.659 . 0 0 "[ . 1 . 2]" 1
510 1 20 GLY H 1 21 LEU MD2 . . 5.590 4.919 4.820 5.014 . 0 0 "[ . 1 . 2]" 1
511 1 20 GLY H 1 50 ARG HG2 . . 5.540 4.988 4.649 5.599 0.059 9 0 "[ . 1 . 2]" 1
512 1 20 GLY H 1 50 ARG HG3 . . 5.730 4.299 3.760 5.741 0.011 9 0 "[ . 1 . 2]" 1
513 1 20 GLY H 1 51 GLN HA . . 5.360 4.393 4.054 4.550 . 0 0 "[ . 1 . 2]" 1
514 1 20 GLY H 1 51 GLN HG2 . . 5.770 3.991 3.635 4.368 . 0 0 "[ . 1 . 2]" 1
515 1 20 GLY H 1 51 GLN HG3 . . 5.490 4.563 4.088 4.777 . 0 0 "[ . 1 . 2]" 1
516 1 20 GLY H 1 82 PHE QD . . 5.790 4.451 4.075 5.229 . 0 0 "[ . 1 . 2]" 1
517 1 20 GLY QA 1 21 LEU H . . 4.960 2.972 2.962 2.980 . 0 0 "[ . 1 . 2]" 1
518 1 20 GLY QA 1 21 LEU MD1 . . 5.860 4.906 4.759 4.994 . 0 0 "[ . 1 . 2]" 1
519 1 20 GLY QA 1 50 ARG HG3 . . 5.720 4.659 4.157 5.744 0.024 9 0 "[ . 1 . 2]" 1
520 1 20 GLY QA 1 81 ALA HA . . 5.360 2.995 2.847 3.350 . 0 0 "[ . 1 . 2]" 1
521 1 20 GLY QA 1 81 ALA MB . . 5.650 3.644 3.481 3.783 . 0 0 "[ . 1 . 2]" 1
522 1 20 GLY QA 1 82 PHE H . . 5.480 3.656 3.534 3.826 . 0 0 "[ . 1 . 2]" 1
523 1 20 GLY QA 1 82 PHE QD . . 5.290 3.252 2.925 3.732 . 0 0 "[ . 1 . 2]" 1
524 1 20 GLY QA 1 82 PHE QE . . 5.400 3.081 2.801 4.725 . 0 0 "[ . 1 . 2]" 1
525 1 21 LEU H 1 21 LEU MD1 . . 4.650 3.181 3.031 3.300 . 0 0 "[ . 1 . 2]" 1
526 1 21 LEU H 1 21 LEU MD2 . . 5.010 3.383 3.309 3.461 . 0 0 "[ . 1 . 2]" 1
527 1 21 LEU H 1 22 ILE H . . 5.540 4.603 4.529 4.636 . 0 0 "[ . 1 . 2]" 1
528 1 21 LEU H 1 22 ILE MG . . 5.860 5.175 4.996 5.357 . 0 0 "[ . 1 . 2]" 1
529 1 21 LEU H 1 25 VAL QG . . 5.630 5.313 5.247 5.379 . 0 0 "[ . 1 . 2]" 1
530 1 21 LEU H 1 50 ARG HA . . 6.000 5.769 4.615 6.032 0.032 17 0 "[ . 1 . 2]" 1
531 1 21 LEU H 1 50 ARG HG2 . . 5.100 5.125 4.981 5.221 0.121 19 0 "[ . 1 . 2]" 1
532 1 21 LEU H 1 50 ARG HG3 . . 4.850 3.944 3.705 4.747 . 0 0 "[ . 1 . 2]" 1
533 1 21 LEU H 1 50 ARG QB . . 5.770 5.127 3.242 5.547 . 0 0 "[ . 1 . 2]" 1
534 1 21 LEU H 1 50 ARG QD . . 6.000 5.078 4.465 6.138 0.138 9 0 "[ . 1 . 2]" 1
535 1 21 LEU H 1 51 GLN HA . . 5.290 4.241 3.975 4.368 . 0 0 "[ . 1 . 2]" 1
536 1 21 LEU H 1 51 GLN HG2 . . 5.730 5.230 4.977 5.603 . 0 0 "[ . 1 . 2]" 1
537 1 21 LEU H 1 51 GLN HG3 . . 5.860 5.727 5.194 5.902 0.042 17 0 "[ . 1 . 2]" 1
538 1 21 LEU H 1 81 ALA HA . . 5.860 4.516 4.377 4.783 . 0 0 "[ . 1 . 2]" 1
539 1 21 LEU H 1 81 ALA MB . . 5.380 3.389 3.245 3.625 . 0 0 "[ . 1 . 2]" 1
540 1 21 LEU HA 1 22 ILE H . . 4.520 2.551 2.476 2.703 . 0 0 "[ . 1 . 2]" 1
541 1 21 LEU HA 1 25 VAL QG . . 5.310 4.793 4.650 4.970 . 0 0 "[ . 1 . 2]" 1
542 1 21 LEU HA 1 76 ILE HB . . 5.860 3.565 3.273 3.825 . 0 0 "[ . 1 . 2]" 1
543 1 21 LEU HA 1 76 ILE HG13 . . 5.400 4.633 4.334 5.042 . 0 0 "[ . 1 . 2]" 1
544 1 21 LEU HA 1 81 ALA HA . . 5.610 4.310 4.194 4.480 . 0 0 "[ . 1 . 2]" 1
545 1 21 LEU HA 1 81 ALA MB . . 4.950 2.771 2.593 3.014 . 0 0 "[ . 1 . 2]" 1
546 1 21 LEU HA 1 82 PHE H . . 5.860 5.723 5.456 5.909 0.049 9 0 "[ . 1 . 2]" 1
547 1 21 LEU HB2 1 22 ILE H . . 5.610 2.256 2.038 2.332 . 0 0 "[ . 1 . 2]" 1
548 1 21 LEU HB2 1 25 VAL HA . . 5.930 5.877 5.734 5.966 0.036 3 0 "[ . 1 . 2]" 1
549 1 21 LEU HB2 1 25 VAL MG1 . . 4.940 3.201 3.023 3.417 . 0 0 "[ . 1 . 2]" 1
550 1 21 LEU HB2 1 25 VAL MG2 . . 4.940 3.553 3.405 3.695 . 0 0 "[ . 1 . 2]" 1
551 1 21 LEU HB2 1 50 ARG HG3 . . 5.420 5.220 5.112 5.418 . 0 0 "[ . 1 . 2]" 1
552 1 21 LEU HB2 1 51 GLN HA . . 5.860 5.731 5.625 5.820 . 0 0 "[ . 1 . 2]" 1
553 1 21 LEU HB2 1 79 HIS QB . . 5.800 5.200 4.690 5.685 . 0 0 "[ . 1 . 2]" 1
554 1 21 LEU HB3 1 22 ILE H . . 4.800 3.664 3.548 3.710 . 0 0 "[ . 1 . 2]" 1
555 1 21 LEU HB3 1 25 VAL MG1 . . 5.350 4.327 4.213 4.483 . 0 0 "[ . 1 . 2]" 1
556 1 21 LEU HB3 1 25 VAL MG2 . . 5.350 4.421 4.330 4.517 . 0 0 "[ . 1 . 2]" 1
557 1 21 LEU HB3 1 25 VAL QG . . 4.970 3.894 3.804 4.009 . 0 0 "[ . 1 . 2]" 1
558 1 21 LEU HB3 1 50 ARG HG3 . . 6.000 5.582 5.399 6.022 0.022 20 0 "[ . 1 . 2]" 1
559 1 21 LEU HB3 1 76 ILE MD . . 5.920 4.576 4.363 4.788 . 0 0 "[ . 1 . 2]" 1
560 1 21 LEU HG 1 30 LEU QD . . 5.770 5.038 4.836 5.242 . 0 0 "[ . 1 . 2]" 1
561 1 21 LEU HG 1 51 GLN HA . . 5.630 2.933 2.826 3.037 . 0 0 "[ . 1 . 2]" 1
562 1 21 LEU HG 1 51 GLN HG2 . . 5.780 4.748 4.502 5.062 . 0 0 "[ . 1 . 2]" 1
563 1 21 LEU HG 1 51 GLN HG3 . . 5.830 5.059 4.769 5.259 . 0 0 "[ . 1 . 2]" 1
564 1 21 LEU MD1 1 22 ILE H . . 5.360 2.953 2.679 3.139 . 0 0 "[ . 1 . 2]" 1
565 1 21 LEU MD1 1 23 ASP HA . . 5.420 3.504 3.337 3.761 . 0 0 "[ . 1 . 2]" 1
566 1 21 LEU MD1 1 25 VAL HB . . 5.520 3.316 3.135 3.530 . 0 0 "[ . 1 . 2]" 1
567 1 21 LEU MD1 1 25 VAL QG . . 4.890 2.115 2.024 2.363 . 0 0 "[ . 1 . 2]" 1
568 1 21 LEU MD1 1 50 ARG HA . . 5.210 2.719 2.146 2.917 . 0 0 "[ . 1 . 2]" 1
569 1 21 LEU MD1 1 50 ARG HD3 . . 5.680 2.922 2.161 4.832 . 0 0 "[ . 1 . 2]" 1
570 1 21 LEU MD1 1 50 ARG HG2 . . 5.730 3.711 3.575 3.960 . 0 0 "[ . 1 . 2]" 1
571 1 21 LEU MD1 1 50 ARG HG3 . . 5.180 2.325 2.228 2.508 . 0 0 "[ . 1 . 2]" 1
572 1 21 LEU MD1 1 50 ARG QB . . 5.480 3.692 2.831 3.896 . 0 0 "[ . 1 . 2]" 1
573 1 21 LEU MD1 1 51 GLN HA . . 5.720 3.213 2.926 3.604 . 0 0 "[ . 1 . 2]" 1
574 1 21 LEU MD2 1 22 ILE H . . 5.430 4.210 3.903 4.330 . 0 0 "[ . 1 . 2]" 1
575 1 21 LEU MD2 1 25 VAL HA . . 5.860 5.686 5.431 5.875 0.015 8 0 "[ . 1 . 2]" 1
576 1 21 LEU MD2 1 25 VAL HB . . 5.410 3.800 3.516 4.037 . 0 0 "[ . 1 . 2]" 1
577 1 21 LEU MD2 1 25 VAL MG1 . . 4.860 2.207 2.137 2.298 . 0 0 "[ . 1 . 2]" 1
578 1 21 LEU MD2 1 25 VAL MG2 . . 4.860 2.902 2.582 3.130 . 0 0 "[ . 1 . 2]" 1
579 1 21 LEU MD2 1 25 VAL QG . . 4.410 2.140 2.061 2.240 . 0 0 "[ . 1 . 2]" 1
580 1 21 LEU MD2 1 30 LEU QD . . 4.330 2.569 2.398 2.730 . 0 0 "[ . 1 . 2]" 1
581 1 21 LEU MD2 1 45 VAL HA . . 5.570 4.683 4.497 4.909 . 0 0 "[ . 1 . 2]" 1
582 1 21 LEU MD2 1 45 VAL QG . . 4.910 3.125 2.996 3.252 . 0 0 "[ . 1 . 2]" 1
583 1 21 LEU MD2 1 46 MET HG3 . . 5.630 5.153 4.924 5.360 . 0 0 "[ . 1 . 2]" 1
584 1 21 LEU MD2 1 47 PRO HA . . 5.670 5.283 4.602 5.625 . 0 0 "[ . 1 . 2]" 1
585 1 21 LEU MD2 1 50 ARG HA . . 5.310 4.640 4.119 4.902 . 0 0 "[ . 1 . 2]" 1
586 1 21 LEU MD2 1 50 ARG HG3 . . 5.860 4.720 4.516 5.240 . 0 0 "[ . 1 . 2]" 1
587 1 21 LEU MD2 1 51 GLN H . . 4.950 4.012 3.634 4.203 . 0 0 "[ . 1 . 2]" 1
588 1 21 LEU MD2 1 51 GLN HA . . 5.200 2.716 2.619 2.924 . 0 0 "[ . 1 . 2]" 1
589 1 21 LEU MD2 1 51 GLN HB3 . . 5.860 4.458 4.341 4.744 . 0 0 "[ . 1 . 2]" 1
590 1 21 LEU MD2 1 52 ALA H . . 5.690 3.024 2.876 3.221 . 0 0 "[ . 1 . 2]" 1
591 1 21 LEU MD2 1 52 ALA HA . . 5.690 3.880 3.770 4.101 . 0 0 "[ . 1 . 2]" 1
592 1 21 LEU MD2 1 52 ALA MB . . 4.680 2.063 1.982 2.186 . 0 0 "[ . 1 . 2]" 1
593 1 22 ILE H 1 22 ILE MD . . 4.770 2.617 1.784 3.816 . 0 0 "[ . 1 . 2]" 1
594 1 22 ILE H 1 22 ILE QG . . 4.580 2.934 2.144 3.464 . 0 0 "[ . 1 . 2]" 1
595 1 22 ILE H 1 22 ILE MG . . 4.520 2.331 2.102 2.679 . 0 0 "[ . 1 . 2]" 1
596 1 22 ILE H 1 23 ASP H . . 5.460 4.548 4.495 4.610 . 0 0 "[ . 1 . 2]" 1
597 1 22 ILE H 1 25 VAL H . . 5.720 4.337 4.101 4.438 . 0 0 "[ . 1 . 2]" 1
598 1 22 ILE H 1 25 VAL HA . . 5.860 5.736 5.490 5.888 0.028 16 0 "[ . 1 . 2]" 1
599 1 22 ILE H 1 25 VAL HB . . 5.440 3.469 3.136 3.647 . 0 0 "[ . 1 . 2]" 1
600 1 22 ILE H 1 25 VAL MG1 . . 5.390 3.985 3.678 4.121 . 0 0 "[ . 1 . 2]" 1
601 1 22 ILE H 1 25 VAL MG2 . . 5.390 4.503 4.208 4.711 . 0 0 "[ . 1 . 2]" 1
602 1 22 ILE H 1 25 VAL QG . . 4.480 3.731 3.459 3.873 . 0 0 "[ . 1 . 2]" 1
603 1 22 ILE H 1 50 ARG HG3 . . 5.680 5.150 4.307 5.531 . 0 0 "[ . 1 . 2]" 1
604 1 22 ILE H 1 81 ALA MB . . 5.660 4.758 4.549 4.954 . 0 0 "[ . 1 . 2]" 1
605 1 22 ILE HA 1 23 ASP H . . 4.450 2.353 2.306 2.423 . 0 0 "[ . 1 . 2]" 1
606 1 22 ILE HA 1 23 ASP HB2 . . 5.570 5.330 4.566 5.749 0.179 11 0 "[ . 1 . 2]" 1
607 1 22 ILE HA 1 23 ASP HB3 . . 5.790 4.683 4.537 5.790 . 0 0 "[ . 1 . 2]" 1
608 1 22 ILE HA 1 25 VAL QG . . 5.220 4.924 4.874 5.003 . 0 0 "[ . 1 . 2]" 1
609 1 22 ILE HA 1 50 ARG HD2 . . 5.310 2.624 2.012 4.180 . 0 0 "[ . 1 . 2]" 1
610 1 22 ILE HA 1 50 ARG HD3 . . 5.710 4.022 3.389 5.049 . 0 0 "[ . 1 . 2]" 1
611 1 22 ILE HB 1 23 ASP H . . 5.620 2.665 2.581 2.772 . 0 0 "[ . 1 . 2]" 1
612 1 22 ILE HB 1 23 ASP HA . . 6.000 5.101 4.960 5.187 . 0 0 "[ . 1 . 2]" 1
613 1 22 ILE HB 1 23 ASP HB2 . . 6.000 5.764 4.501 6.090 0.090 9 0 "[ . 1 . 2]" 1
614 1 22 ILE HB 1 23 ASP HB3 . . 5.750 5.235 4.518 5.820 0.070 4 0 "[ . 1 . 2]" 1
615 1 22 ILE HB 1 24 GLY H . . 5.830 3.310 2.891 3.575 . 0 0 "[ . 1 . 2]" 1
616 1 22 ILE HB 1 25 VAL H . . 5.610 5.061 4.631 5.414 . 0 0 "[ . 1 . 2]" 1
617 1 22 ILE HB 1 50 ARG HD2 . . 5.860 4.649 4.105 5.898 0.038 19 0 "[ . 1 . 2]" 1
618 1 22 ILE HB 1 77 ALA MB . . 6.000 5.263 4.606 5.736 . 0 0 "[ . 1 . 2]" 1
619 1 22 ILE HB 1 79 HIS HD2 . . 5.770 4.840 4.383 5.729 . 0 0 "[ . 1 . 2]" 1
620 1 22 ILE HB 1 79 HIS QB . . 5.590 4.721 4.431 5.065 . 0 0 "[ . 1 . 2]" 1
621 1 22 ILE HG12 1 77 ALA MB . . 4.880 3.367 2.248 4.130 . 0 0 "[ . 1 . 2]" 1
622 1 22 ILE HG13 1 77 ALA MB . . 4.880 3.799 2.994 4.214 . 0 0 "[ . 1 . 2]" 1
623 1 22 ILE MD 1 23 ASP HA . . 5.860 5.113 4.649 5.762 . 0 0 "[ . 1 . 2]" 1
624 1 22 ILE MD 1 24 GLY H . . 5.790 3.121 2.897 3.286 . 0 0 "[ . 1 . 2]" 1
625 1 22 ILE MD 1 25 VAL H . . 5.170 3.286 2.790 4.030 . 0 0 "[ . 1 . 2]" 1
626 1 22 ILE MD 1 25 VAL HA . . 5.510 3.968 3.630 4.637 . 0 0 "[ . 1 . 2]" 1
627 1 22 ILE MD 1 25 VAL HB . . 5.390 3.191 2.489 4.292 . 0 0 "[ . 1 . 2]" 1
628 1 22 ILE MD 1 25 VAL QG . . 4.500 3.664 3.221 4.412 . 0 0 "[ . 1 . 2]" 1
629 1 22 ILE MD 1 76 ILE H . . 6.000 5.315 4.931 5.865 . 0 0 "[ . 1 . 2]" 1
630 1 22 ILE MD 1 77 ALA HA . . 5.570 4.292 4.122 4.522 . 0 0 "[ . 1 . 2]" 1
631 1 22 ILE MD 1 77 ALA MB . . 4.270 2.009 1.966 2.101 . 0 0 "[ . 1 . 2]" 1
632 1 22 ILE MD 1 78 GLY H . . 4.810 4.866 4.833 4.898 0.088 11 0 "[ . 1 . 2]" 1
633 1 22 ILE MD 1 79 HIS H . . 5.000 3.855 3.700 4.109 . 0 0 "[ . 1 . 2]" 1
634 1 22 ILE MD 1 79 HIS HB2 . . 5.380 2.670 2.227 3.338 . 0 0 "[ . 1 . 2]" 1
635 1 22 ILE MD 1 79 HIS HB3 . . 5.380 3.801 2.188 4.603 . 0 0 "[ . 1 . 2]" 1
636 1 22 ILE MD 1 79 HIS HD2 . . 4.450 2.204 2.044 3.319 . 0 0 "[ . 1 . 2]" 1
637 1 22 ILE MD 1 79 HIS HE1 . . 5.860 5.410 4.935 5.788 . 0 0 "[ . 1 . 2]" 1
638 1 22 ILE MD 1 79 HIS QB . . 4.960 2.534 2.151 3.172 . 0 0 "[ . 1 . 2]" 1
639 1 22 ILE QG 1 23 ASP H . . 5.380 3.166 2.951 3.488 . 0 0 "[ . 1 . 2]" 1
640 1 22 ILE QG 1 23 ASP HB2 . . 5.800 5.361 4.936 5.596 . 0 0 "[ . 1 . 2]" 1
641 1 22 ILE QG 1 24 GLY H . . 5.190 1.727 1.591 1.902 . 0 0 "[ . 1 . 2]" 1
642 1 22 ILE QG 1 24 GLY QA . . 5.200 2.880 2.819 2.914 . 0 0 "[ . 1 . 2]" 1
643 1 22 ILE QG 1 25 VAL H . . 4.990 2.952 2.329 3.398 . 0 0 "[ . 1 . 2]" 1
644 1 22 ILE QG 1 25 VAL HA . . 5.440 4.608 3.650 5.250 . 0 0 "[ . 1 . 2]" 1
645 1 22 ILE QG 1 25 VAL HB . . 5.400 3.680 2.490 4.473 . 0 0 "[ . 1 . 2]" 1
646 1 22 ILE QG 1 25 VAL QG . . 5.450 3.984 3.261 4.459 . 0 0 "[ . 1 . 2]" 1
647 1 22 ILE QG 1 77 ALA MB . . 4.550 3.106 2.199 3.714 . 0 0 "[ . 1 . 2]" 1
648 1 22 ILE QG 1 79 HIS H . . 5.800 5.412 4.789 5.824 0.024 16 0 "[ . 1 . 2]" 1
649 1 22 ILE QG 1 79 HIS HD2 . . 5.320 3.485 2.548 5.070 . 0 0 "[ . 1 . 2]" 1
650 1 22 ILE QG 1 79 HIS QB . . 5.260 3.813 3.545 4.081 . 0 0 "[ . 1 . 2]" 1
651 1 22 ILE MG 1 23 ASP H . . 4.950 4.012 3.898 4.057 . 0 0 "[ . 1 . 2]" 1
652 1 22 ILE MG 1 23 ASP QB . . 6.000 5.650 5.264 5.858 . 0 0 "[ . 1 . 2]" 1
653 1 22 ILE MG 1 77 ALA MB . . 5.460 3.973 3.244 4.538 . 0 0 "[ . 1 . 2]" 1
654 1 22 ILE MG 1 79 HIS H . . 5.370 4.431 3.867 5.074 . 0 0 "[ . 1 . 2]" 1
655 1 22 ILE MG 1 79 HIS HA . . 5.580 4.564 4.425 4.871 . 0 0 "[ . 1 . 2]" 1
656 1 22 ILE MG 1 79 HIS HB2 . . 4.870 2.342 2.037 3.206 . 0 0 "[ . 1 . 2]" 1
657 1 22 ILE MG 1 79 HIS HB3 . . 4.870 2.755 2.540 3.026 . 0 0 "[ . 1 . 2]" 1
658 1 22 ILE MG 1 79 HIS HD2 . . 4.830 2.842 2.404 3.267 . 0 0 "[ . 1 . 2]" 1
659 1 22 ILE MG 1 79 HIS HE1 . . 5.330 4.407 3.432 4.932 . 0 0 "[ . 1 . 2]" 1
660 1 22 ILE MG 1 79 HIS QB . . 4.550 2.195 1.990 2.721 . 0 0 "[ . 1 . 2]" 1
661 1 22 ILE MG 1 80 PRO HD2 . . 5.800 4.543 4.202 4.903 . 0 0 "[ . 1 . 2]" 1
662 1 23 ASP H 1 24 GLY H . . 5.050 2.768 2.680 2.845 . 0 0 "[ . 1 . 2]" 1
663 1 23 ASP H 1 24 GLY QA . . 5.400 4.584 4.520 4.640 . 0 0 "[ . 1 . 2]" 1
664 1 23 ASP H 1 25 VAL H . . 5.380 4.426 4.316 4.511 . 0 0 "[ . 1 . 2]" 1
665 1 23 ASP H 1 25 VAL QG . . 5.460 4.852 4.756 4.932 . 0 0 "[ . 1 . 2]" 1
666 1 23 ASP H 1 50 ARG HD2 . . 5.570 3.092 2.694 3.950 . 0 0 "[ . 1 . 2]" 1
667 1 23 ASP H 1 50 ARG HG3 . . 5.860 5.032 3.366 5.666 . 0 0 "[ . 1 . 2]" 1
668 1 23 ASP HA 1 24 GLY QA . . 5.480 4.408 4.352 4.471 . 0 0 "[ . 1 . 2]" 1
669 1 23 ASP HA 1 25 VAL H . . 5.750 3.406 3.267 3.586 . 0 0 "[ . 1 . 2]" 1
670 1 23 ASP HA 1 25 VAL QG . . 5.340 3.191 2.945 3.468 . 0 0 "[ . 1 . 2]" 1
671 1 23 ASP HA 1 47 PRO HB3 . . 4.940 3.350 2.575 3.810 . 0 0 "[ . 1 . 2]" 1
672 1 23 ASP HA 1 50 ARG HD3 . . 5.860 3.526 2.895 5.637 . 0 0 "[ . 1 . 2]" 1
673 1 23 ASP HB2 1 24 GLY H . . 5.380 4.195 3.508 4.406 . 0 0 "[ . 1 . 2]" 1
674 1 23 ASP HB2 1 24 GLY QA . . 5.800 4.723 4.399 5.409 . 0 0 "[ . 1 . 2]" 1
675 1 23 ASP HB2 1 25 VAL QG . . 5.840 5.172 4.895 5.613 . 0 0 "[ . 1 . 2]" 1
676 1 23 ASP HB2 1 50 ARG HD3 . . 5.860 4.396 3.063 5.951 0.091 19 0 "[ . 1 . 2]" 1
677 1 23 ASP HB3 1 24 GLY H . . 5.110 4.134 3.167 4.591 . 0 0 "[ . 1 . 2]" 1
678 1 23 ASP HB3 1 24 GLY QA . . 5.830 5.073 4.242 5.487 . 0 0 "[ . 1 . 2]" 1
679 1 24 GLY H 1 25 VAL H . . 4.460 2.576 2.500 2.682 . 0 0 "[ . 1 . 2]" 1
680 1 24 GLY H 1 25 VAL QG . . 5.760 4.177 3.993 4.312 . 0 0 "[ . 1 . 2]" 1
681 1 24 GLY QA 1 25 VAL H . . 4.650 2.953 2.945 2.962 . 0 0 "[ . 1 . 2]" 1
682 1 24 GLY QA 1 25 VAL MG1 . . 5.830 4.499 4.390 4.551 . 0 0 "[ . 1 . 2]" 1
683 1 24 GLY QA 1 25 VAL MG2 . . 5.830 5.269 5.243 5.307 . 0 0 "[ . 1 . 2]" 1
684 1 24 GLY QA 1 25 VAL QG . . 5.510 4.260 4.191 4.290 . 0 0 "[ . 1 . 2]" 1
685 1 24 GLY QA 1 26 VAL MG1 . . 5.770 4.195 4.137 4.289 . 0 0 "[ . 1 . 2]" 1
686 1 24 GLY QA 1 77 ALA MB . . 5.670 3.962 3.639 4.235 . 0 0 "[ . 1 . 2]" 1
687 1 25 VAL H 1 25 VAL QG . . 4.070 2.306 2.186 2.386 . 0 0 "[ . 1 . 2]" 1
688 1 25 VAL H 1 26 VAL HA . . 5.860 5.644 5.618 5.675 . 0 0 "[ . 1 . 2]" 1
689 1 25 VAL H 1 26 VAL MG2 . . 5.860 5.867 5.828 5.887 0.027 14 0 "[ . 1 . 2]" 1
690 1 25 VAL H 1 45 VAL QG . . 5.630 4.835 4.575 5.037 . 0 0 "[ . 1 . 2]" 1
691 1 25 VAL H 1 47 PRO HB3 . . 5.860 5.664 4.578 5.917 0.057 2 0 "[ . 1 . 2]" 1
692 1 25 VAL H 1 77 ALA MB . . 5.070 3.691 3.521 3.894 . 0 0 "[ . 1 . 2]" 1
693 1 25 VAL HA 1 26 VAL H . . 4.030 2.215 2.183 2.237 . 0 0 "[ . 1 . 2]" 1
694 1 25 VAL HA 1 26 VAL HA . . 5.510 4.458 4.442 4.470 . 0 0 "[ . 1 . 2]" 1
695 1 25 VAL HA 1 26 VAL MG1 . . 5.230 3.469 3.428 3.511 . 0 0 "[ . 1 . 2]" 1
696 1 25 VAL HA 1 26 VAL MG2 . . 5.380 3.727 3.666 3.762 . 0 0 "[ . 1 . 2]" 1
697 1 25 VAL HA 1 29 ASP H . . 5.700 5.144 5.095 5.188 . 0 0 "[ . 1 . 2]" 1
698 1 25 VAL HA 1 29 ASP HA . . 6.000 6.077 6.031 6.106 0.106 11 0 "[ . 1 . 2]" 1
699 1 25 VAL HA 1 29 ASP HB2 . . 5.190 3.316 3.228 3.403 . 0 0 "[ . 1 . 2]" 1
700 1 25 VAL HA 1 29 ASP HB3 . . 5.510 4.097 3.989 4.183 . 0 0 "[ . 1 . 2]" 1
701 1 25 VAL HA 1 30 LEU H . . 6.000 5.940 5.868 6.019 0.019 15 0 "[ . 1 . 2]" 1
702 1 25 VAL HA 1 30 LEU QD . . 5.840 4.892 4.823 4.980 . 0 0 "[ . 1 . 2]" 1
703 1 25 VAL HA 1 76 ILE MG . . 5.250 4.057 3.956 4.195 . 0 0 "[ . 1 . 2]" 1
704 1 25 VAL HA 1 77 ALA MB . . 4.580 2.436 2.238 2.746 . 0 0 "[ . 1 . 2]" 1
705 1 25 VAL HB 1 26 VAL H . . 5.270 4.094 4.074 4.110 . 0 0 "[ . 1 . 2]" 1
706 1 25 VAL HB 1 29 ASP HB2 . . 5.700 4.683 4.606 4.773 . 0 0 "[ . 1 . 2]" 1
707 1 25 VAL HB 1 76 ILE HB . . 5.460 4.881 4.746 5.050 . 0 0 "[ . 1 . 2]" 1
708 1 25 VAL HB 1 76 ILE MG . . 5.660 2.911 2.758 3.162 . 0 0 "[ . 1 . 2]" 1
709 1 25 VAL HB 1 77 ALA HA . . 5.840 5.594 5.447 5.744 . 0 0 "[ . 1 . 2]" 1
710 1 25 VAL HB 1 77 ALA MB . . 5.420 2.804 2.669 2.950 . 0 0 "[ . 1 . 2]" 1
711 1 25 VAL MG1 1 26 VAL H . . 5.480 3.498 3.409 3.594 . 0 0 "[ . 1 . 2]" 1
712 1 25 VAL MG1 1 77 ALA MB . . 5.220 4.012 3.903 4.140 . 0 0 "[ . 1 . 2]" 1
713 1 25 VAL MG2 1 26 VAL H . . 5.480 2.196 2.126 2.272 . 0 0 "[ . 1 . 2]" 1
714 1 25 VAL MG2 1 77 ALA MB . . 5.220 2.261 2.160 2.336 . 0 0 "[ . 1 . 2]" 1
715 1 25 VAL QG 1 26 VAL H . . 4.710 2.175 2.106 2.248 . 0 0 "[ . 1 . 2]" 1
716 1 25 VAL QG 1 26 VAL HA . . 5.090 3.230 3.204 3.264 . 0 0 "[ . 1 . 2]" 1
717 1 25 VAL QG 1 26 VAL HB . . 5.840 4.767 4.744 4.787 . 0 0 "[ . 1 . 2]" 1
718 1 25 VAL QG 1 27 GLU HA . . 5.780 4.271 4.221 4.354 . 0 0 "[ . 1 . 2]" 1
719 1 25 VAL QG 1 29 ASP H . . 6.000 3.786 3.670 3.900 . 0 0 "[ . 1 . 2]" 1
720 1 25 VAL QG 1 29 ASP HB2 . . 4.690 2.200 2.077 2.336 . 0 0 "[ . 1 . 2]" 1
721 1 25 VAL QG 1 29 ASP HB3 . . 4.650 2.701 2.553 2.815 . 0 0 "[ . 1 . 2]" 1
722 1 25 VAL QG 1 30 LEU H . . 4.680 3.461 3.355 3.571 . 0 0 "[ . 1 . 2]" 1
723 1 25 VAL QG 1 30 LEU HA . . 5.290 3.921 3.839 4.010 . 0 0 "[ . 1 . 2]" 1
724 1 25 VAL QG 1 30 LEU HG . . 5.210 2.491 2.308 2.652 . 0 0 "[ . 1 . 2]" 1
725 1 25 VAL QG 1 30 LEU QD . . 3.990 2.107 2.050 2.184 . 0 0 "[ . 1 . 2]" 1
726 1 25 VAL QG 1 45 VAL HA . . 5.650 4.671 4.551 4.818 . 0 0 "[ . 1 . 2]" 1
727 1 25 VAL QG 1 52 ALA MB . . 5.160 3.144 3.026 3.237 . 0 0 "[ . 1 . 2]" 1
728 1 25 VAL QG 1 76 ILE HA . . 5.800 4.200 4.055 4.408 . 0 0 "[ . 1 . 2]" 1
729 1 25 VAL QG 1 76 ILE HB . . 5.580 3.942 3.904 3.979 . 0 0 "[ . 1 . 2]" 1
730 1 25 VAL QG 1 77 ALA HA . . 5.730 4.196 4.116 4.290 . 0 0 "[ . 1 . 2]" 1
731 1 25 VAL QG 1 77 ALA MB . . 4.750 2.249 2.150 2.321 . 0 0 "[ . 1 . 2]" 1
732 1 25 VAL QG 1 78 GLY H . . 5.840 5.690 5.610 5.757 . 0 0 "[ . 1 . 2]" 1
733 1 25 VAL QG 1 79 HIS H . . 5.840 5.875 5.846 5.919 0.079 11 0 "[ . 1 . 2]" 1
734 1 25 VAL QG 1 79 HIS QB . . 5.780 5.599 5.446 5.764 . 0 0 "[ . 1 . 2]" 1
735 1 26 VAL H 1 26 VAL MG1 . . 4.750 2.877 2.855 2.907 . 0 0 "[ . 1 . 2]" 1
736 1 26 VAL H 1 26 VAL MG2 . . 4.070 2.295 2.252 2.318 . 0 0 "[ . 1 . 2]" 1
737 1 26 VAL H 1 27 GLU H . . 5.440 4.463 4.453 4.471 . 0 0 "[ . 1 . 2]" 1
738 1 26 VAL H 1 28 ALA H . . 6.000 4.681 4.622 4.739 . 0 0 "[ . 1 . 2]" 1
739 1 26 VAL H 1 28 ALA MB . . 5.710 4.910 4.821 4.965 . 0 0 "[ . 1 . 2]" 1
740 1 26 VAL H 1 29 ASP H . . 4.870 3.171 3.126 3.206 . 0 0 "[ . 1 . 2]" 1
741 1 26 VAL H 1 29 ASP HA . . 6.000 4.918 4.887 4.938 . 0 0 "[ . 1 . 2]" 1
742 1 26 VAL H 1 29 ASP HB2 . . 5.440 2.136 2.049 2.216 . 0 0 "[ . 1 . 2]" 1
743 1 26 VAL H 1 29 ASP HB3 . . 5.520 3.700 3.620 3.770 . 0 0 "[ . 1 . 2]" 1
744 1 26 VAL H 1 30 LEU H . . 5.360 4.276 4.224 4.325 . 0 0 "[ . 1 . 2]" 1
745 1 26 VAL H 1 30 LEU HG . . 5.840 4.162 4.061 4.253 . 0 0 "[ . 1 . 2]" 1
746 1 26 VAL H 1 30 LEU QD . . 5.430 4.347 4.285 4.395 . 0 0 "[ . 1 . 2]" 1
747 1 26 VAL H 1 76 ILE MG . . 6.000 4.638 4.573 4.750 . 0 0 "[ . 1 . 2]" 1
748 1 26 VAL H 1 77 ALA MB . . 4.950 3.714 3.429 4.030 . 0 0 "[ . 1 . 2]" 1
749 1 26 VAL HA 1 27 GLU H . . 4.370 2.508 2.483 2.546 . 0 0 "[ . 1 . 2]" 1
750 1 26 VAL HA 1 27 GLU HA . . 5.460 4.292 4.272 4.310 . 0 0 "[ . 1 . 2]" 1
751 1 26 VAL HA 1 27 GLU QG . . 5.470 4.081 3.721 4.581 . 0 0 "[ . 1 . 2]" 1
752 1 26 VAL HA 1 28 ALA H . . 5.460 4.371 4.351 4.397 . 0 0 "[ . 1 . 2]" 1
753 1 26 VAL HA 1 28 ALA MB . . 5.860 5.393 5.366 5.422 . 0 0 "[ . 1 . 2]" 1
754 1 26 VAL HA 1 29 ASP H . . 5.540 4.590 4.554 4.627 . 0 0 "[ . 1 . 2]" 1
755 1 26 VAL HA 1 30 LEU HG . . 5.860 4.962 4.909 5.059 . 0 0 "[ . 1 . 2]" 1
756 1 26 VAL HA 1 30 LEU QD . . 5.780 4.497 4.374 4.656 . 0 0 "[ . 1 . 2]" 1
757 1 26 VAL HA 1 45 VAL HB . . 5.460 4.619 4.295 4.809 . 0 0 "[ . 1 . 2]" 1
758 1 26 VAL HA 1 45 VAL MG1 . . 4.960 3.286 2.979 3.839 . 0 0 "[ . 1 . 2]" 1
759 1 26 VAL HA 1 45 VAL MG2 . . 4.960 3.671 2.767 4.045 . 0 0 "[ . 1 . 2]" 1
760 1 26 VAL HA 1 45 VAL QG . . 4.600 3.008 2.707 3.201 . 0 0 "[ . 1 . 2]" 1
761 1 26 VAL HB 1 27 GLU H . . 4.160 2.392 2.346 2.438 . 0 0 "[ . 1 . 2]" 1
762 1 26 VAL HB 1 27 GLU HA . . 5.630 4.924 4.895 4.951 . 0 0 "[ . 1 . 2]" 1
763 1 26 VAL HB 1 27 GLU HB2 . . 5.320 4.304 4.222 4.384 . 0 0 "[ . 1 . 2]" 1
764 1 26 VAL HB 1 27 GLU HB3 . . 5.860 5.717 5.659 5.746 . 0 0 "[ . 1 . 2]" 1
765 1 26 VAL HB 1 27 GLU QG . . 5.060 4.531 4.056 5.041 . 0 0 "[ . 1 . 2]" 1
766 1 26 VAL HB 1 28 ALA H . . 4.670 3.148 3.123 3.203 . 0 0 "[ . 1 . 2]" 1
767 1 26 VAL HB 1 28 ALA MB . . 5.380 3.943 3.888 4.010 . 0 0 "[ . 1 . 2]" 1
768 1 26 VAL HB 1 29 ASP H . . 5.600 4.249 4.173 4.312 . 0 0 "[ . 1 . 2]" 1
769 1 26 VAL HB 1 45 VAL QG . . 5.320 4.578 4.398 4.807 . 0 0 "[ . 1 . 2]" 1
770 1 26 VAL MG1 1 27 GLU H . . 5.090 3.825 3.798 3.854 . 0 0 "[ . 1 . 2]" 1
771 1 26 VAL MG1 1 28 ALA H . . 5.480 4.472 4.445 4.495 . 0 0 "[ . 1 . 2]" 1
772 1 26 VAL MG1 1 29 ASP H . . 5.540 4.519 4.467 4.576 . 0 0 "[ . 1 . 2]" 1
773 1 26 VAL MG1 1 45 VAL QG . . 5.310 4.171 3.936 4.307 . 0 0 "[ . 1 . 2]" 1
774 1 26 VAL MG1 1 77 ALA MB . . 5.480 4.763 4.580 5.088 . 0 0 "[ . 1 . 2]" 1
775 1 26 VAL MG2 1 27 GLU H . . 4.890 3.226 3.172 3.277 . 0 0 "[ . 1 . 2]" 1
776 1 26 VAL MG2 1 27 GLU HA . . 5.550 4.410 4.392 4.431 . 0 0 "[ . 1 . 2]" 1
777 1 26 VAL MG2 1 27 GLU HB2 . . 5.460 4.373 4.301 4.429 . 0 0 "[ . 1 . 2]" 1
778 1 26 VAL MG2 1 27 GLU HB3 . . 5.860 5.321 5.279 5.367 . 0 0 "[ . 1 . 2]" 1
779 1 26 VAL MG2 1 27 GLU QG . . 5.650 4.955 4.682 5.261 . 0 0 "[ . 1 . 2]" 1
780 1 26 VAL MG2 1 28 ALA H . . 4.120 2.042 1.995 2.095 . 0 0 "[ . 1 . 2]" 1
781 1 26 VAL MG2 1 28 ALA HA . . 5.600 4.021 3.977 4.050 . 0 0 "[ . 1 . 2]" 1
782 1 26 VAL MG2 1 28 ALA MB . . 4.120 2.119 2.093 2.146 . 0 0 "[ . 1 . 2]" 1
783 1 26 VAL MG2 1 29 ASP H . . 4.190 2.016 1.933 2.079 . 0 0 "[ . 1 . 2]" 1
784 1 26 VAL MG2 1 29 ASP HA . . 5.420 4.033 3.951 4.106 . 0 0 "[ . 1 . 2]" 1
785 1 26 VAL MG2 1 29 ASP HB2 . . 5.030 2.990 2.854 3.108 . 0 0 "[ . 1 . 2]" 1
786 1 26 VAL MG2 1 30 LEU H . . 5.390 4.102 4.056 4.139 . 0 0 "[ . 1 . 2]" 1
787 1 26 VAL QG 1 29 ASP HB2 . . 5.260 2.950 2.820 3.062 . 0 0 "[ . 1 . 2]" 1
788 1 27 GLU H 1 27 GLU HG2 . . 4.940 3.497 3.252 3.787 . 0 0 "[ . 1 . 2]" 1
789 1 27 GLU H 1 27 GLU HG3 . . 4.940 2.510 2.032 3.130 . 0 0 "[ . 1 . 2]" 1
790 1 27 GLU H 1 27 GLU QG . . 4.530 2.443 2.012 2.988 . 0 0 "[ . 1 . 2]" 1
791 1 27 GLU H 1 28 ALA H . . 4.560 2.745 2.713 2.779 . 0 0 "[ . 1 . 2]" 1
792 1 27 GLU H 1 28 ALA HA . . 5.830 5.352 5.325 5.380 . 0 0 "[ . 1 . 2]" 1
793 1 27 GLU H 1 28 ALA MB . . 5.520 4.386 4.356 4.412 . 0 0 "[ . 1 . 2]" 1
794 1 27 GLU H 1 29 ASP H . . 5.920 4.240 4.203 4.286 . 0 0 "[ . 1 . 2]" 1
795 1 27 GLU H 1 29 ASP HB2 . . 5.850 5.506 5.448 5.565 . 0 0 "[ . 1 . 2]" 1
796 1 27 GLU H 1 30 LEU H . . 5.760 5.051 5.018 5.107 . 0 0 "[ . 1 . 2]" 1
797 1 27 GLU H 1 30 LEU QD . . 5.400 4.337 4.233 4.499 . 0 0 "[ . 1 . 2]" 1
798 1 27 GLU H 1 45 VAL HB . . 5.770 4.791 4.481 5.319 . 0 0 "[ . 1 . 2]" 1
799 1 27 GLU H 1 45 VAL QG . . 4.640 3.472 3.102 3.757 . 0 0 "[ . 1 . 2]" 1
800 1 27 GLU HA 1 28 ALA HA . . 5.630 4.812 4.806 4.825 . 0 0 "[ . 1 . 2]" 1
801 1 27 GLU HA 1 28 ALA MB . . 5.700 5.016 5.010 5.027 . 0 0 "[ . 1 . 2]" 1
802 1 27 GLU HA 1 29 ASP H . . 5.990 4.133 4.084 4.220 . 0 0 "[ . 1 . 2]" 1
803 1 27 GLU HA 1 30 LEU H . . 5.200 3.372 3.290 3.506 . 0 0 "[ . 1 . 2]" 1
804 1 27 GLU HA 1 30 LEU HB2 . . 5.480 3.045 2.911 3.153 . 0 0 "[ . 1 . 2]" 1
805 1 27 GLU HA 1 30 LEU HB3 . . 5.750 4.582 4.494 4.697 . 0 0 "[ . 1 . 2]" 1
806 1 27 GLU HA 1 30 LEU HG . . 5.420 3.187 2.879 3.567 . 0 0 "[ . 1 . 2]" 1
807 1 27 GLU HA 1 30 LEU QD . . 4.700 2.295 2.185 2.501 . 0 0 "[ . 1 . 2]" 1
808 1 27 GLU HA 1 31 VAL H . . 5.570 4.371 4.204 4.492 . 0 0 "[ . 1 . 2]" 1
809 1 27 GLU HA 1 31 VAL QG . . 5.860 4.987 4.861 5.101 . 0 0 "[ . 1 . 2]" 1
810 1 27 GLU HA 1 43 VAL HB . . 5.430 4.179 3.873 4.502 . 0 0 "[ . 1 . 2]" 1
811 1 27 GLU HA 1 43 VAL QG . . 4.950 2.556 2.093 2.928 . 0 0 "[ . 1 . 2]" 1
812 1 27 GLU HA 1 44 VAL H . . 5.860 5.369 5.124 5.440 . 0 0 "[ . 1 . 2]" 1
813 1 27 GLU HA 1 44 VAL HA . . 5.860 5.112 4.926 5.312 . 0 0 "[ . 1 . 2]" 1
814 1 27 GLU HA 1 45 VAL H . . 5.830 5.851 5.705 5.931 0.101 19 0 "[ . 1 . 2]" 1
815 1 27 GLU HA 1 45 VAL QG . . 5.070 3.784 2.783 4.105 . 0 0 "[ . 1 . 2]" 1
816 1 27 GLU HA 1 52 ALA MB . . 5.860 5.195 5.062 5.362 . 0 0 "[ . 1 . 2]" 1
817 1 27 GLU HA 1 54 VAL QG . . 5.840 5.090 4.881 5.209 . 0 0 "[ . 1 . 2]" 1
818 1 27 GLU HB2 1 28 ALA H . . 4.530 2.854 2.816 2.876 . 0 0 "[ . 1 . 2]" 1
819 1 27 GLU HB2 1 28 ALA HA . . 5.510 4.394 4.337 4.453 . 0 0 "[ . 1 . 2]" 1
820 1 27 GLU HB2 1 28 ALA MB . . 5.390 4.097 4.034 4.160 . 0 0 "[ . 1 . 2]" 1
821 1 27 GLU HB2 1 43 VAL QG . . 5.170 3.594 3.391 3.970 . 0 0 "[ . 1 . 2]" 1
822 1 27 GLU HB3 1 28 ALA H . . 5.330 3.854 3.829 3.881 . 0 0 "[ . 1 . 2]" 1
823 1 27 GLU HB3 1 28 ALA HA . . 5.620 4.550 4.491 4.586 . 0 0 "[ . 1 . 2]" 1
824 1 27 GLU HB3 1 28 ALA MB . . 5.790 4.926 4.861 4.960 . 0 0 "[ . 1 . 2]" 1
825 1 27 GLU HB3 1 43 VAL HA . . 5.770 5.742 5.318 5.907 0.137 20 0 "[ . 1 . 2]" 1
826 1 27 GLU HB3 1 43 VAL QG . . 4.820 2.247 2.019 2.753 . 0 0 "[ . 1 . 2]" 1
827 1 27 GLU HG2 1 28 ALA H . . 5.590 5.157 5.046 5.281 . 0 0 "[ . 1 . 2]" 1
828 1 27 GLU HG2 1 45 VAL H . . 5.770 4.251 3.724 4.925 . 0 0 "[ . 1 . 2]" 1
829 1 27 GLU HG3 1 28 ALA H . . 5.590 4.634 4.348 4.979 . 0 0 "[ . 1 . 2]" 1
830 1 27 GLU HG3 1 45 VAL H . . 5.770 4.348 3.896 4.843 . 0 0 "[ . 1 . 2]" 1
831 1 27 GLU QG 1 28 ALA H . . 5.230 4.313 4.109 4.556 . 0 0 "[ . 1 . 2]" 1
832 1 27 GLU QG 1 28 ALA MB . . 5.800 5.455 5.319 5.606 . 0 0 "[ . 1 . 2]" 1
833 1 27 GLU QG 1 43 VAL HA . . 5.800 5.427 4.742 5.681 . 0 0 "[ . 1 . 2]" 1
834 1 27 GLU QG 1 43 VAL QG . . 5.610 2.517 2.188 2.774 . 0 0 "[ . 1 . 2]" 1
835 1 27 GLU QG 1 44 VAL HA . . 5.220 3.042 2.764 3.200 . 0 0 "[ . 1 . 2]" 1
836 1 27 GLU QG 1 45 VAL H . . 5.480 3.726 3.554 3.912 . 0 0 "[ . 1 . 2]" 1
837 1 27 GLU QG 1 45 VAL QG . . 4.340 2.556 2.031 2.973 . 0 0 "[ . 1 . 2]" 1
838 1 28 ALA H 1 29 ASP H . . 4.510 2.655 2.638 2.682 . 0 0 "[ . 1 . 2]" 1
839 1 28 ALA H 1 29 ASP HA . . 6.000 5.262 5.246 5.282 . 0 0 "[ . 1 . 2]" 1
840 1 28 ALA H 1 29 ASP HB2 . . 5.590 4.834 4.799 4.865 . 0 0 "[ . 1 . 2]" 1
841 1 28 ALA H 1 30 LEU H . . 6.000 4.190 4.158 4.230 . 0 0 "[ . 1 . 2]" 1
842 1 28 ALA H 1 31 VAL H . . 5.790 5.040 4.884 5.147 . 0 0 "[ . 1 . 2]" 1
843 1 28 ALA H 1 31 VAL QG . . 5.480 4.506 4.381 4.602 . 0 0 "[ . 1 . 2]" 1
844 1 28 ALA HA 1 29 ASP H . . 4.950 3.577 3.570 3.585 . 0 0 "[ . 1 . 2]" 1
845 1 28 ALA HA 1 29 ASP HA . . 5.640 4.733 4.719 4.750 . 0 0 "[ . 1 . 2]" 1
846 1 28 ALA HA 1 30 LEU H . . 5.710 4.301 4.215 4.362 . 0 0 "[ . 1 . 2]" 1
847 1 28 ALA HA 1 30 LEU QD . . 5.840 5.718 5.580 5.836 . 0 0 "[ . 1 . 2]" 1
848 1 28 ALA HA 1 31 VAL H . . 5.290 3.612 3.524 3.699 . 0 0 "[ . 1 . 2]" 1
849 1 28 ALA HA 1 31 VAL QG . . 4.470 2.248 2.150 2.342 . 0 0 "[ . 1 . 2]" 1
850 1 28 ALA HA 1 32 GLU H . . 5.470 4.234 4.169 4.319 . 0 0 "[ . 1 . 2]" 1
851 1 28 ALA HA 1 32 GLU HG3 . . 5.610 4.972 4.048 5.100 . 0 0 "[ . 1 . 2]" 1
852 1 28 ALA HA 1 43 VAL QG . . 5.380 4.375 4.195 4.618 . 0 0 "[ . 1 . 2]" 1
853 1 28 ALA MB 1 29 ASP H . . 4.620 2.784 2.776 2.795 . 0 0 "[ . 1 . 2]" 1
854 1 28 ALA MB 1 29 ASP HA . . 5.210 3.929 3.916 3.943 . 0 0 "[ . 1 . 2]" 1
855 1 28 ALA MB 1 29 ASP HB2 . . 5.570 4.639 4.593 4.671 . 0 0 "[ . 1 . 2]" 1
856 1 28 ALA MB 1 30 LEU H . . 5.730 4.593 4.562 4.624 . 0 0 "[ . 1 . 2]" 1
857 1 28 ALA MB 1 31 VAL H . . 5.720 4.809 4.730 4.875 . 0 0 "[ . 1 . 2]" 1
858 1 28 ALA MB 1 32 GLU HG2 . . 5.540 4.021 3.863 5.207 . 0 0 "[ . 1 . 2]" 1
859 1 28 ALA MB 1 32 GLU HG3 . . 5.530 4.034 3.912 4.181 . 0 0 "[ . 1 . 2]" 1
860 1 29 ASP H 1 29 ASP HB2 . . 4.390 2.378 2.358 2.400 . 0 0 "[ . 1 . 2]" 1
861 1 29 ASP H 1 30 LEU H . . 4.450 2.548 2.511 2.572 . 0 0 "[ . 1 . 2]" 1
862 1 29 ASP H 1 30 LEU HA . . 6.000 5.199 5.180 5.218 . 0 0 "[ . 1 . 2]" 1
863 1 29 ASP H 1 30 LEU HB2 . . 5.700 4.764 4.691 4.854 . 0 0 "[ . 1 . 2]" 1
864 1 29 ASP H 1 30 LEU HG . . 5.860 4.037 3.970 4.132 . 0 0 "[ . 1 . 2]" 1
865 1 29 ASP H 1 30 LEU MD1 . . 5.820 5.012 4.934 5.124 . 0 0 "[ . 1 . 2]" 1
866 1 29 ASP H 1 30 LEU MD2 . . 5.820 5.123 5.011 5.272 . 0 0 "[ . 1 . 2]" 1
867 1 29 ASP H 1 30 LEU QD . . 5.570 4.511 4.474 4.556 . 0 0 "[ . 1 . 2]" 1
868 1 29 ASP H 1 31 VAL H . . 5.400 4.236 4.116 4.322 . 0 0 "[ . 1 . 2]" 1
869 1 29 ASP H 1 32 GLU H . . 5.570 4.917 4.865 4.966 . 0 0 "[ . 1 . 2]" 1
870 1 29 ASP H 1 76 ILE MG . . 5.490 5.528 5.502 5.549 0.059 10 0 "[ . 1 . 2]" 1
871 1 29 ASP HA 1 30 LEU HA . . 5.650 4.770 4.756 4.787 . 0 0 "[ . 1 . 2]" 1
872 1 29 ASP HA 1 31 VAL H . . 5.560 4.464 4.436 4.501 . 0 0 "[ . 1 . 2]" 1
873 1 29 ASP HA 1 31 VAL QG . . 5.310 4.442 4.383 4.513 . 0 0 "[ . 1 . 2]" 1
874 1 29 ASP HA 1 32 GLU H . . 4.980 3.549 3.437 3.680 . 0 0 "[ . 1 . 2]" 1
875 1 29 ASP HA 1 32 GLU HB2 . . 5.010 2.915 2.756 3.101 . 0 0 "[ . 1 . 2]" 1
876 1 29 ASP HA 1 32 GLU HB3 . . 5.260 4.580 4.418 4.763 . 0 0 "[ . 1 . 2]" 1
877 1 29 ASP HA 1 32 GLU HG2 . . 5.460 4.370 4.215 5.515 0.055 14 0 "[ . 1 . 2]" 1
878 1 29 ASP HA 1 32 GLU HG3 . . 5.170 4.167 4.055 4.242 . 0 0 "[ . 1 . 2]" 1
879 1 29 ASP HA 1 33 ALA H . . 5.700 4.283 4.207 4.404 . 0 0 "[ . 1 . 2]" 1
880 1 29 ASP HA 1 33 ALA MB . . 5.750 4.275 4.182 4.387 . 0 0 "[ . 1 . 2]" 1
881 1 29 ASP HA 1 76 ILE HA . . 6.000 5.926 5.778 6.005 0.005 12 0 "[ . 1 . 2]" 1
882 1 29 ASP HA 1 76 ILE MG . . 5.130 5.087 5.022 5.138 0.008 16 0 "[ . 1 . 2]" 1
883 1 29 ASP HA 1 77 ALA H . . 5.520 4.753 4.585 4.888 . 0 0 "[ . 1 . 2]" 1
884 1 29 ASP HA 1 77 ALA HA . . 5.480 5.193 4.814 5.481 0.001 10 0 "[ . 1 . 2]" 1
885 1 29 ASP HA 1 77 ALA MB . . 5.600 5.007 4.768 5.355 . 0 0 "[ . 1 . 2]" 1
886 1 29 ASP HB2 1 30 LEU H . . 4.690 2.985 2.853 3.087 . 0 0 "[ . 1 . 2]" 1
887 1 29 ASP HB2 1 30 LEU HA . . 5.740 4.566 4.491 4.646 . 0 0 "[ . 1 . 2]" 1
888 1 29 ASP HB2 1 30 LEU HG . . 5.820 3.570 3.335 3.750 . 0 0 "[ . 1 . 2]" 1
889 1 29 ASP HB2 1 30 LEU MD1 . . 5.650 4.968 4.754 5.146 . 0 0 "[ . 1 . 2]" 1
890 1 29 ASP HB2 1 30 LEU MD2 . . 5.650 4.085 3.925 4.238 . 0 0 "[ . 1 . 2]" 1
891 1 29 ASP HB2 1 30 LEU QD . . 5.160 3.903 3.749 3.997 . 0 0 "[ . 1 . 2]" 1
892 1 29 ASP HB2 1 31 VAL H . . 5.780 5.351 5.206 5.446 . 0 0 "[ . 1 . 2]" 1
893 1 29 ASP HB2 1 32 GLU H . . 5.860 5.814 5.762 5.862 0.002 19 0 "[ . 1 . 2]" 1
894 1 29 ASP HB2 1 76 ILE HA . . 5.860 5.597 5.426 5.773 . 0 0 "[ . 1 . 2]" 1
895 1 29 ASP HB2 1 76 ILE MG . . 4.930 3.781 3.720 3.867 . 0 0 "[ . 1 . 2]" 1
896 1 29 ASP HB2 1 77 ALA H . . 5.240 4.383 4.234 4.546 . 0 0 "[ . 1 . 2]" 1
897 1 29 ASP HB2 1 77 ALA HA . . 5.560 4.711 4.343 5.062 . 0 0 "[ . 1 . 2]" 1
898 1 29 ASP HB2 1 77 ALA MB . . 5.060 3.348 3.031 3.640 . 0 0 "[ . 1 . 2]" 1
899 1 29 ASP HB3 1 30 LEU H . . 4.920 3.820 3.754 3.853 . 0 0 "[ . 1 . 2]" 1
900 1 29 ASP HB3 1 30 LEU HG . . 5.860 4.607 4.406 4.751 . 0 0 "[ . 1 . 2]" 1
901 1 29 ASP HB3 1 30 LEU MD1 . . 6.000 5.908 5.728 6.025 0.025 18 0 "[ . 1 . 2]" 1
902 1 29 ASP HB3 1 30 LEU MD2 . . 5.860 4.326 4.141 4.438 . 0 0 "[ . 1 . 2]" 1
903 1 29 ASP HB3 1 30 LEU QD . . 5.360 4.223 4.050 4.310 . 0 0 "[ . 1 . 2]" 1
904 1 29 ASP HB3 1 31 VAL H . . 5.860 5.757 5.704 5.793 . 0 0 "[ . 1 . 2]" 1
905 1 29 ASP HB3 1 32 GLU H . . 5.860 5.514 5.441 5.595 . 0 0 "[ . 1 . 2]" 1
906 1 29 ASP HB3 1 32 GLU HB2 . . 5.810 5.016 4.889 5.156 . 0 0 "[ . 1 . 2]" 1
907 1 29 ASP HB3 1 33 ALA MB . . 5.630 4.133 4.012 4.268 . 0 0 "[ . 1 . 2]" 1
908 1 29 ASP HB3 1 76 ILE HA . . 5.540 4.243 4.051 4.367 . 0 0 "[ . 1 . 2]" 1
909 1 29 ASP HB3 1 76 ILE MD . . 5.860 4.771 4.471 5.082 . 0 0 "[ . 1 . 2]" 1
910 1 29 ASP HB3 1 76 ILE MG . . 4.880 3.322 3.250 3.401 . 0 0 "[ . 1 . 2]" 1
911 1 29 ASP HB3 1 77 ALA H . . 5.030 2.818 2.665 2.974 . 0 0 "[ . 1 . 2]" 1
912 1 29 ASP HB3 1 77 ALA HA . . 5.410 3.395 3.003 3.691 . 0 0 "[ . 1 . 2]" 1
913 1 29 ASP HB3 1 77 ALA MB . . 4.830 2.890 2.591 3.277 . 0 0 "[ . 1 . 2]" 1
914 1 29 ASP HB3 1 78 GLY H . . 5.800 5.495 5.250 5.734 . 0 0 "[ . 1 . 2]" 1
915 1 30 LEU H 1 30 LEU HG . . 4.480 2.191 2.144 2.275 . 0 0 "[ . 1 . 2]" 1
916 1 30 LEU H 1 30 LEU MD1 . . 4.940 3.497 3.437 3.554 . 0 0 "[ . 1 . 2]" 1
917 1 30 LEU H 1 30 LEU MD2 . . 4.940 3.392 3.306 3.509 . 0 0 "[ . 1 . 2]" 1
918 1 30 LEU H 1 30 LEU QD . . 4.580 3.064 3.033 3.109 . 0 0 "[ . 1 . 2]" 1
919 1 30 LEU H 1 31 VAL H . . 4.640 2.600 2.546 2.647 . 0 0 "[ . 1 . 2]" 1
920 1 30 LEU H 1 31 VAL HB . . 5.860 4.848 4.757 4.924 . 0 0 "[ . 1 . 2]" 1
921 1 30 LEU H 1 32 GLU H . . 5.410 4.120 4.070 4.159 . 0 0 "[ . 1 . 2]" 1
922 1 30 LEU H 1 33 ALA H . . 5.790 4.789 4.742 4.837 . 0 0 "[ . 1 . 2]" 1
923 1 30 LEU H 1 33 ALA MB . . 5.860 4.734 4.655 4.817 . 0 0 "[ . 1 . 2]" 1
924 1 30 LEU H 1 45 VAL QG . . 5.840 5.398 4.630 5.651 . 0 0 "[ . 1 . 2]" 1
925 1 30 LEU H 1 76 ILE MD . . 5.850 5.139 4.978 5.452 . 0 0 "[ . 1 . 2]" 1
926 1 30 LEU H 1 76 ILE MG . . 5.050 4.480 4.421 4.573 . 0 0 "[ . 1 . 2]" 1
927 1 30 LEU HA 1 31 VAL HA . . 5.740 4.684 4.673 4.696 . 0 0 "[ . 1 . 2]" 1
928 1 30 LEU HA 1 33 ALA H . . 5.420 3.592 3.439 3.689 . 0 0 "[ . 1 . 2]" 1
929 1 30 LEU HA 1 33 ALA MB . . 5.140 2.780 2.563 2.934 . 0 0 "[ . 1 . 2]" 1
930 1 30 LEU HA 1 34 LEU HG . . 5.520 3.954 3.843 4.051 . 0 0 "[ . 1 . 2]" 1
931 1 30 LEU HA 1 34 LEU QD . . 5.010 3.404 3.208 3.601 . 0 0 "[ . 1 . 2]" 1
932 1 30 LEU HA 1 54 VAL QG . . 5.710 4.063 3.848 4.282 . 0 0 "[ . 1 . 2]" 1
933 1 30 LEU HA 1 76 ILE HG13 . . 5.710 5.373 5.275 5.455 . 0 0 "[ . 1 . 2]" 1
934 1 30 LEU HA 1 76 ILE MD . . 4.840 2.922 2.818 3.140 . 0 0 "[ . 1 . 2]" 1
935 1 30 LEU HA 1 76 ILE MG . . 4.750 3.272 3.004 3.494 . 0 0 "[ . 1 . 2]" 1
936 1 30 LEU HB2 1 31 VAL H . . 4.510 2.580 2.511 2.672 . 0 0 "[ . 1 . 2]" 1
937 1 30 LEU HB2 1 34 LEU QD . . 5.290 4.303 4.189 4.425 . 0 0 "[ . 1 . 2]" 1
938 1 30 LEU HB2 1 54 VAL QG . . 5.100 3.317 3.151 3.484 . 0 0 "[ . 1 . 2]" 1
939 1 30 LEU HB3 1 31 VAL H . . 5.120 3.681 3.643 3.769 . 0 0 "[ . 1 . 2]" 1
940 1 30 LEU HB3 1 32 GLU H . . 5.860 5.695 5.668 5.717 . 0 0 "[ . 1 . 2]" 1
941 1 30 LEU HB3 1 34 LEU QD . . 4.850 2.912 2.803 3.056 . 0 0 "[ . 1 . 2]" 1
942 1 30 LEU HB3 1 43 VAL HA . . 5.860 5.396 5.230 5.553 . 0 0 "[ . 1 . 2]" 1
943 1 30 LEU HB3 1 43 VAL QG . . 4.980 3.145 2.754 3.466 . 0 0 "[ . 1 . 2]" 1
944 1 30 LEU HB3 1 54 VAL QG . . 4.830 2.381 2.203 2.527 . 0 0 "[ . 1 . 2]" 1
945 1 30 LEU HG 1 31 VAL H . . 5.670 4.276 4.189 4.363 . 0 0 "[ . 1 . 2]" 1
946 1 30 LEU HG 1 45 VAL QG . . 5.280 4.081 3.378 4.359 . 0 0 "[ . 1 . 2]" 1
947 1 30 LEU MD1 1 31 VAL H . . 5.560 4.425 4.365 4.498 . 0 0 "[ . 1 . 2]" 1
948 1 30 LEU MD1 1 45 VAL HA . . 5.560 3.509 3.246 3.683 . 0 0 "[ . 1 . 2]" 1
949 1 30 LEU MD1 1 52 ALA MB . . 4.970 1.989 1.930 2.049 . 0 0 "[ . 1 . 2]" 1
950 1 30 LEU MD2 1 31 VAL H . . 5.560 4.714 4.670 4.754 . 0 0 "[ . 1 . 2]" 1
951 1 30 LEU MD2 1 45 VAL HA . . 5.560 5.113 4.745 5.517 . 0 0 "[ . 1 . 2]" 1
952 1 30 LEU MD2 1 52 ALA MB . . 4.970 2.452 2.191 2.720 . 0 0 "[ . 1 . 2]" 1
953 1 30 LEU QD 1 31 VAL H . . 5.180 4.057 4.010 4.098 . 0 0 "[ . 1 . 2]" 1
954 1 30 LEU QD 1 43 VAL HA . . 5.410 4.244 4.027 4.400 . 0 0 "[ . 1 . 2]" 1
955 1 30 LEU QD 1 44 VAL HA . . 5.640 4.226 3.966 4.550 . 0 0 "[ . 1 . 2]" 1
956 1 30 LEU QD 1 45 VAL H . . 5.420 4.481 4.309 4.761 . 0 0 "[ . 1 . 2]" 1
957 1 30 LEU QD 1 45 VAL HA . . 5.180 3.451 3.193 3.631 . 0 0 "[ . 1 . 2]" 1
958 1 30 LEU QD 1 52 ALA MB . . 4.510 1.903 1.847 1.930 . 0 0 "[ . 1 . 2]" 1
959 1 30 LEU QD 1 76 ILE HA . . 5.730 4.338 4.141 4.510 . 0 0 "[ . 1 . 2]" 1
960 1 31 VAL H 1 31 VAL HB . . 4.210 2.433 2.394 2.480 . 0 0 "[ . 1 . 2]" 1
961 1 31 VAL H 1 31 VAL QG . . 4.010 2.298 2.191 2.400 . 0 0 "[ . 1 . 2]" 1
962 1 31 VAL H 1 32 GLU H . . 4.430 2.656 2.635 2.671 . 0 0 "[ . 1 . 2]" 1
963 1 31 VAL H 1 32 GLU HB2 . . 5.790 4.769 4.738 4.800 . 0 0 "[ . 1 . 2]" 1
964 1 31 VAL H 1 32 GLU HG2 . . 5.860 4.566 4.462 5.890 0.030 14 0 "[ . 1 . 2]" 1
965 1 31 VAL H 1 32 GLU HG3 . . 5.860 5.796 4.412 5.885 0.025 4 0 "[ . 1 . 2]" 1
966 1 31 VAL H 1 33 ALA H . . 5.340 3.976 3.937 4.021 . 0 0 "[ . 1 . 2]" 1
967 1 31 VAL H 1 34 LEU HB2 . . 5.540 5.341 5.308 5.384 . 0 0 "[ . 1 . 2]" 1
968 1 31 VAL H 1 40 ILE MD . . 5.420 4.519 4.459 4.593 . 0 0 "[ . 1 . 2]" 1
969 1 31 VAL H 1 43 VAL QG . . 5.450 3.105 2.983 3.192 . 0 0 "[ . 1 . 2]" 1
970 1 31 VAL HA 1 32 GLU HA . . 5.690 4.718 4.709 4.730 . 0 0 "[ . 1 . 2]" 1
971 1 31 VAL HA 1 33 ALA H . . 5.140 3.996 3.952 4.047 . 0 0 "[ . 1 . 2]" 1
972 1 31 VAL HA 1 33 ALA MB . . 5.820 4.993 4.940 5.035 . 0 0 "[ . 1 . 2]" 1
973 1 31 VAL HA 1 34 LEU H . . 4.890 3.352 3.314 3.381 . 0 0 "[ . 1 . 2]" 1
974 1 31 VAL HA 1 34 LEU HA . . 5.760 5.718 5.679 5.742 . 0 0 "[ . 1 . 2]" 1
975 1 31 VAL HA 1 34 LEU HB2 . . 5.640 3.278 3.258 3.315 . 0 0 "[ . 1 . 2]" 1
976 1 31 VAL HA 1 34 LEU HB3 . . 5.760 4.899 4.866 4.954 . 0 0 "[ . 1 . 2]" 1
977 1 31 VAL HA 1 34 LEU HG . . 5.650 5.094 4.998 5.162 . 0 0 "[ . 1 . 2]" 1
978 1 31 VAL HA 1 34 LEU MD1 . . 5.770 4.209 4.135 4.317 . 0 0 "[ . 1 . 2]" 1
979 1 31 VAL HA 1 34 LEU MD2 . . 5.770 5.849 5.825 5.873 0.103 2 0 "[ . 1 . 2]" 1
980 1 31 VAL HA 1 34 LEU QD . . 5.240 4.118 4.053 4.213 . 0 0 "[ . 1 . 2]" 1
981 1 31 VAL HA 1 35 GLN H . . 5.000 3.827 3.759 3.883 . 0 0 "[ . 1 . 2]" 1
982 1 31 VAL HA 1 35 GLN HA . . 5.480 5.030 4.947 5.112 . 0 0 "[ . 1 . 2]" 1
983 1 31 VAL HA 1 35 GLN HB2 . . 6.000 5.746 5.672 5.809 . 0 0 "[ . 1 . 2]" 1
984 1 31 VAL HA 1 35 GLN HB3 . . 6.000 4.017 3.948 4.079 . 0 0 "[ . 1 . 2]" 1
985 1 31 VAL HA 1 35 GLN HE22 . . 5.830 5.749 5.699 5.834 0.004 14 0 "[ . 1 . 2]" 1
986 1 31 VAL HA 1 35 GLN HG2 . . 5.660 5.066 5.025 5.125 . 0 0 "[ . 1 . 2]" 1
987 1 31 VAL HA 1 40 ILE HB . . 5.570 4.488 4.357 4.660 . 0 0 "[ . 1 . 2]" 1
988 1 31 VAL HA 1 40 ILE HG12 . . 5.700 4.926 4.848 5.023 . 0 0 "[ . 1 . 2]" 1
989 1 31 VAL HA 1 40 ILE HG13 . . 5.650 4.957 4.860 5.053 . 0 0 "[ . 1 . 2]" 1
990 1 31 VAL HA 1 40 ILE MD . . 4.440 2.232 2.170 2.309 . 0 0 "[ . 1 . 2]" 1
991 1 31 VAL HA 1 40 ILE MG . . 5.360 3.479 3.353 3.626 . 0 0 "[ . 1 . 2]" 1
992 1 31 VAL HA 1 43 VAL QG . . 5.000 3.093 2.881 3.206 . 0 0 "[ . 1 . 2]" 1
993 1 31 VAL HA 1 54 VAL QG . . 5.520 3.703 3.599 3.817 . 0 0 "[ . 1 . 2]" 1
994 1 31 VAL HB 1 32 GLU H . . 5.190 4.016 3.977 4.056 . 0 0 "[ . 1 . 2]" 1
995 1 31 VAL HB 1 40 ILE MD . . 5.270 3.678 3.607 3.750 . 0 0 "[ . 1 . 2]" 1
996 1 31 VAL MG1 1 32 GLU H . . 5.360 2.357 2.329 2.377 . 0 0 "[ . 1 . 2]" 1
997 1 31 VAL MG1 1 35 GLN HE21 . . 5.310 2.940 2.779 3.139 . 0 0 "[ . 1 . 2]" 1
998 1 31 VAL MG1 1 35 GLN HE22 . . 5.290 3.371 3.195 3.573 . 0 0 "[ . 1 . 2]" 1
999 1 31 VAL MG1 1 35 GLN HG2 . . 5.820 4.908 4.778 5.060 . 0 0 "[ . 1 . 2]" 1
1000 1 31 VAL MG1 1 43 VAL HB . . 5.860 5.434 5.036 5.824 . 0 0 "[ . 1 . 2]" 1
1001 1 31 VAL MG2 1 32 GLU H . . 5.360 3.965 3.899 4.019 . 0 0 "[ . 1 . 2]" 1
1002 1 31 VAL MG2 1 35 GLN HE21 . . 5.310 2.341 2.236 2.456 . 0 0 "[ . 1 . 2]" 1
1003 1 31 VAL MG2 1 35 GLN HE22 . . 5.290 3.455 3.374 3.532 . 0 0 "[ . 1 . 2]" 1
1004 1 31 VAL MG2 1 35 GLN HG2 . . 5.820 4.339 4.243 4.421 . 0 0 "[ . 1 . 2]" 1
1005 1 31 VAL MG2 1 43 VAL HB . . 5.860 5.038 4.551 5.452 . 0 0 "[ . 1 . 2]" 1
1006 1 31 VAL QG 1 32 GLU H . . 4.340 2.340 2.313 2.359 . 0 0 "[ . 1 . 2]" 1
1007 1 31 VAL QG 1 32 GLU HA . . 5.020 3.189 3.169 3.209 . 0 0 "[ . 1 . 2]" 1
1008 1 31 VAL QG 1 32 GLU HB2 . . 5.360 3.821 3.800 3.844 . 0 0 "[ . 1 . 2]" 1
1009 1 31 VAL QG 1 32 GLU HB3 . . 5.640 4.454 4.417 4.476 . 0 0 "[ . 1 . 2]" 1
1010 1 31 VAL QG 1 32 GLU HG2 . . 5.270 2.387 2.310 3.168 . 0 0 "[ . 1 . 2]" 1
1011 1 31 VAL QG 1 32 GLU HG3 . . 5.270 3.699 2.344 3.792 . 0 0 "[ . 1 . 2]" 1
1012 1 31 VAL QG 1 33 ALA H . . 5.320 4.106 4.083 4.128 . 0 0 "[ . 1 . 2]" 1
1013 1 31 VAL QG 1 35 GLN H . . 5.020 3.887 3.822 3.947 . 0 0 "[ . 1 . 2]" 1
1014 1 31 VAL QG 1 35 GLN HA . . 5.130 4.161 4.077 4.228 . 0 0 "[ . 1 . 2]" 1
1015 1 31 VAL QG 1 35 GLN HB2 . . 4.970 3.932 3.836 4.016 . 0 0 "[ . 1 . 2]" 1
1016 1 31 VAL QG 1 35 GLN HB3 . . 5.030 2.684 2.589 2.771 . 0 0 "[ . 1 . 2]" 1
1017 1 31 VAL QG 1 35 GLN HE21 . . 4.950 2.252 2.162 2.326 . 0 0 "[ . 1 . 2]" 1
1018 1 31 VAL QG 1 35 GLN HE22 . . 4.870 3.036 2.969 3.134 . 0 0 "[ . 1 . 2]" 1
1019 1 31 VAL QG 1 35 GLN HG2 . . 5.350 4.065 3.990 4.119 . 0 0 "[ . 1 . 2]" 1
1020 1 31 VAL QG 1 36 GLU H . . 5.840 5.737 5.662 5.808 . 0 0 "[ . 1 . 2]" 1
1021 1 31 VAL QG 1 40 ILE H . . 5.510 4.258 4.134 4.390 . 0 0 "[ . 1 . 2]" 1
1022 1 31 VAL QG 1 40 ILE HB . . 4.990 2.541 2.403 2.705 . 0 0 "[ . 1 . 2]" 1
1023 1 31 VAL QG 1 40 ILE HG12 . . 5.480 4.161 4.116 4.238 . 0 0 "[ . 1 . 2]" 1
1024 1 31 VAL QG 1 40 ILE MD . . 4.260 2.061 2.035 2.118 . 0 0 "[ . 1 . 2]" 1
1025 1 31 VAL QG 1 40 ILE MG . . 4.590 2.260 2.204 2.320 . 0 0 "[ . 1 . 2]" 1
1026 1 31 VAL QG 1 41 SER H . . 5.840 5.428 5.343 5.571 . 0 0 "[ . 1 . 2]" 1
1027 1 31 VAL QG 1 43 VAL QG . . 4.420 2.663 2.556 2.798 . 0 0 "[ . 1 . 2]" 1
1028 1 32 GLU H 1 32 GLU HB2 . . 4.150 2.335 2.320 2.364 . 0 0 "[ . 1 . 2]" 1
1029 1 32 GLU H 1 32 GLU HG2 . . 4.790 2.490 2.417 3.565 . 0 0 "[ . 1 . 2]" 1
1030 1 32 GLU H 1 32 GLU HG3 . . 4.950 3.590 2.388 3.669 . 0 0 "[ . 1 . 2]" 1
1031 1 32 GLU H 1 33 ALA H . . 4.450 2.522 2.487 2.558 . 0 0 "[ . 1 . 2]" 1
1032 1 32 GLU H 1 33 ALA HA . . 5.860 5.166 5.140 5.187 . 0 0 "[ . 1 . 2]" 1
1033 1 32 GLU H 1 33 ALA MB . . 5.570 4.171 4.144 4.203 . 0 0 "[ . 1 . 2]" 1
1034 1 32 GLU H 1 34 LEU H . . 5.490 4.081 4.050 4.109 . 0 0 "[ . 1 . 2]" 1
1035 1 32 GLU H 1 34 LEU HB2 . . 5.790 5.705 5.680 5.750 . 0 0 "[ . 1 . 2]" 1
1036 1 32 GLU H 1 35 GLN H . . 5.720 4.910 4.865 4.956 . 0 0 "[ . 1 . 2]" 1
1037 1 32 GLU H 1 35 GLN HE21 . . 5.840 4.238 4.172 4.348 . 0 0 "[ . 1 . 2]" 1
1038 1 32 GLU H 1 35 GLN HE22 . . 5.600 5.065 5.020 5.145 . 0 0 "[ . 1 . 2]" 1
1039 1 32 GLU H 1 35 GLN HG2 . . 5.860 5.048 4.959 5.104 . 0 0 "[ . 1 . 2]" 1
1040 1 32 GLU H 1 40 ILE MD . . 5.710 4.961 4.903 5.036 . 0 0 "[ . 1 . 2]" 1
1041 1 32 GLU HA 1 33 ALA H . . 4.900 3.509 3.494 3.522 . 0 0 "[ . 1 . 2]" 1
1042 1 32 GLU HA 1 33 ALA HA . . 5.600 4.684 4.663 4.710 . 0 0 "[ . 1 . 2]" 1
1043 1 32 GLU HA 1 33 ALA MB . . 5.630 4.961 4.942 4.975 . 0 0 "[ . 1 . 2]" 1
1044 1 32 GLU HA 1 34 LEU H . . 6.000 4.097 4.041 4.157 . 0 0 "[ . 1 . 2]" 1
1045 1 32 GLU HA 1 35 GLN H . . 5.530 3.762 3.675 3.833 . 0 0 "[ . 1 . 2]" 1
1046 1 32 GLU HA 1 35 GLN HB2 . . 5.860 5.104 5.041 5.169 . 0 0 "[ . 1 . 2]" 1
1047 1 32 GLU HA 1 35 GLN HB3 . . 5.620 3.973 3.905 4.021 . 0 0 "[ . 1 . 2]" 1
1048 1 32 GLU HA 1 35 GLN HE21 . . 4.820 2.603 2.572 2.663 . 0 0 "[ . 1 . 2]" 1
1049 1 32 GLU HA 1 35 GLN HE22 . . 4.950 3.101 3.049 3.198 . 0 0 "[ . 1 . 2]" 1
1050 1 32 GLU HA 1 35 GLN HG2 . . 4.990 2.750 2.614 2.839 . 0 0 "[ . 1 . 2]" 1
1051 1 32 GLU HA 1 35 GLN HG3 . . 5.730 4.222 4.102 4.308 . 0 0 "[ . 1 . 2]" 1
1052 1 32 GLU HA 1 40 ILE MD . . 5.860 5.048 4.962 5.124 . 0 0 "[ . 1 . 2]" 1
1053 1 32 GLU HB2 1 33 ALA H . . 4.940 3.101 3.031 3.170 . 0 0 "[ . 1 . 2]" 1
1054 1 32 GLU HB2 1 33 ALA MB . . 5.230 4.022 3.977 4.052 . 0 0 "[ . 1 . 2]" 1
1055 1 32 GLU HB2 1 35 GLN HE22 . . 5.860 5.664 5.617 5.712 . 0 0 "[ . 1 . 2]" 1
1056 1 32 GLU HB3 1 33 ALA H . . 5.210 3.957 3.915 3.997 . 0 0 "[ . 1 . 2]" 1
1057 1 32 GLU HB3 1 33 ALA HA . . 5.520 4.506 4.484 4.540 . 0 0 "[ . 1 . 2]" 1
1058 1 32 GLU HB3 1 33 ALA MB . . 5.400 4.662 4.607 4.714 . 0 0 "[ . 1 . 2]" 1
1059 1 32 GLU HB3 1 35 GLN HE21 . . 5.850 5.069 5.036 5.116 . 0 0 "[ . 1 . 2]" 1
1060 1 32 GLU HG2 1 33 ALA H . . 5.670 4.617 4.551 5.162 . 0 0 "[ . 1 . 2]" 1
1061 1 32 GLU HG2 1 35 GLN HE21 . . 5.480 4.133 3.824 4.242 . 0 0 "[ . 1 . 2]" 1
1062 1 32 GLU HG2 1 35 GLN HE22 . . 5.310 4.010 3.182 4.182 . 0 0 "[ . 1 . 2]" 1
1063 1 33 ALA H 1 34 LEU H . . 4.360 2.415 2.356 2.476 . 0 0 "[ . 1 . 2]" 1
1064 1 33 ALA H 1 34 LEU HA . . 6.000 5.073 5.022 5.122 . 0 0 "[ . 1 . 2]" 1
1065 1 33 ALA H 1 34 LEU HB2 . . 5.340 4.445 4.373 4.513 . 0 0 "[ . 1 . 2]" 1
1066 1 33 ALA H 1 34 LEU HG . . 5.500 4.157 4.092 4.215 . 0 0 "[ . 1 . 2]" 1
1067 1 33 ALA H 1 34 LEU QD . . 5.710 4.486 4.404 4.560 . 0 0 "[ . 1 . 2]" 1
1068 1 33 ALA H 1 35 GLN H . . 5.100 3.996 3.940 4.050 . 0 0 "[ . 1 . 2]" 1
1069 1 33 ALA H 1 35 GLN HG2 . . 5.600 4.652 4.586 4.719 . 0 0 "[ . 1 . 2]" 1
1070 1 33 ALA H 1 36 GLU H . . 6.000 5.856 5.825 5.884 . 0 0 "[ . 1 . 2]" 1
1071 1 33 ALA H 1 36 GLU QG . . 5.800 5.855 5.839 5.869 0.069 5 0 "[ . 1 . 2]" 1
1072 1 33 ALA H 1 40 ILE MD . . 5.620 4.857 4.766 4.948 . 0 0 "[ . 1 . 2]" 1
1073 1 33 ALA H 1 74 ILE MG . . 6.000 5.883 5.610 6.103 0.103 18 0 "[ . 1 . 2]" 1
1074 1 33 ALA H 1 76 ILE HA . . 6.000 5.653 5.424 5.835 . 0 0 "[ . 1 . 2]" 1
1075 1 33 ALA H 1 76 ILE MD . . 5.660 4.445 4.366 4.532 . 0 0 "[ . 1 . 2]" 1
1076 1 33 ALA H 1 76 ILE MG . . 6.000 5.376 5.040 5.569 . 0 0 "[ . 1 . 2]" 1
1077 1 33 ALA HA 1 34 LEU H . . 4.800 3.488 3.482 3.499 . 0 0 "[ . 1 . 2]" 1
1078 1 33 ALA HA 1 34 LEU HA . . 5.510 4.559 4.549 4.564 . 0 0 "[ . 1 . 2]" 1
1079 1 33 ALA HA 1 34 LEU HB2 . . 5.850 5.698 5.676 5.726 . 0 0 "[ . 1 . 2]" 1
1080 1 33 ALA HA 1 34 LEU HG . . 5.760 4.595 4.514 4.703 . 0 0 "[ . 1 . 2]" 1
1081 1 33 ALA HA 1 35 GLN H . . 5.750 4.588 4.511 4.646 . 0 0 "[ . 1 . 2]" 1
1082 1 33 ALA HA 1 36 GLU HB3 . . 5.610 5.595 5.519 5.634 0.024 2 0 "[ . 1 . 2]" 1
1083 1 33 ALA HA 1 36 GLU QG . . 5.800 4.249 4.204 4.277 . 0 0 "[ . 1 . 2]" 1
1084 1 33 ALA HA 1 76 ILE HA . . 5.860 5.412 5.160 5.693 . 0 0 "[ . 1 . 2]" 1
1085 1 33 ALA HA 1 76 ILE MD . . 5.820 4.448 4.339 4.534 . 0 0 "[ . 1 . 2]" 1
1086 1 33 ALA MB 1 34 LEU H . . 4.990 3.082 3.058 3.091 . 0 0 "[ . 1 . 2]" 1
1087 1 33 ALA MB 1 34 LEU HA . . 5.420 4.086 4.073 4.105 . 0 0 "[ . 1 . 2]" 1
1088 1 33 ALA MB 1 34 LEU HG . . 4.860 2.677 2.602 2.755 . 0 0 "[ . 1 . 2]" 1
1089 1 33 ALA MB 1 34 LEU QD . . 5.130 3.238 3.174 3.311 . 0 0 "[ . 1 . 2]" 1
1090 1 33 ALA MB 1 35 GLN H . . 5.730 4.739 4.710 4.758 . 0 0 "[ . 1 . 2]" 1
1091 1 33 ALA MB 1 37 PHE QD . . 5.860 5.486 5.421 5.558 . 0 0 "[ . 1 . 2]" 1
1092 1 33 ALA MB 1 74 ILE MG . . 4.650 3.059 2.756 3.254 . 0 0 "[ . 1 . 2]" 1
1093 1 33 ALA MB 1 75 TYR HB2 . . 6.000 4.993 4.891 5.143 . 0 0 "[ . 1 . 2]" 1
1094 1 33 ALA MB 1 75 TYR HB3 . . 6.000 5.066 4.926 5.285 . 0 0 "[ . 1 . 2]" 1
1095 1 33 ALA MB 1 76 ILE HA . . 4.650 2.882 2.653 3.114 . 0 0 "[ . 1 . 2]" 1
1096 1 33 ALA MB 1 76 ILE MD . . 4.300 2.085 2.033 2.142 . 0 0 "[ . 1 . 2]" 1
1097 1 33 ALA MB 1 77 ALA H . . 5.640 3.654 3.299 3.993 . 0 0 "[ . 1 . 2]" 1
1098 1 33 ALA MB 1 77 ALA HA . . 5.860 5.348 4.967 5.719 . 0 0 "[ . 1 . 2]" 1
1099 1 34 LEU H 1 34 LEU HB2 . . 4.320 2.528 2.495 2.549 . 0 0 "[ . 1 . 2]" 1
1100 1 34 LEU H 1 34 LEU HG . . 4.920 3.046 3.014 3.079 . 0 0 "[ . 1 . 2]" 1
1101 1 34 LEU H 1 34 LEU QD . . 5.230 3.524 3.504 3.547 . 0 0 "[ . 1 . 2]" 1
1102 1 34 LEU H 1 35 GLN H . . 4.430 2.100 2.081 2.112 . 0 0 "[ . 1 . 2]" 1
1103 1 34 LEU H 1 35 GLN HA . . 6.000 4.644 4.631 4.655 . 0 0 "[ . 1 . 2]" 1
1104 1 34 LEU H 1 35 GLN HE21 . . 5.860 4.761 4.709 4.842 . 0 0 "[ . 1 . 2]" 1
1105 1 34 LEU H 1 35 GLN HG2 . . 5.210 3.673 3.644 3.705 . 0 0 "[ . 1 . 2]" 1
1106 1 34 LEU H 1 36 GLU H . . 5.100 4.063 4.021 4.096 . 0 0 "[ . 1 . 2]" 1
1107 1 34 LEU H 1 37 PHE QD . . 5.660 5.126 5.082 5.185 . 0 0 "[ . 1 . 2]" 1
1108 1 34 LEU H 1 40 ILE MD . . 5.050 3.330 3.247 3.392 . 0 0 "[ . 1 . 2]" 1
1109 1 34 LEU H 1 76 ILE MD . . 5.860 4.895 4.754 5.016 . 0 0 "[ . 1 . 2]" 1
1110 1 34 LEU HA 1 35 GLN HA . . 5.710 4.772 4.760 4.782 . 0 0 "[ . 1 . 2]" 1
1111 1 34 LEU HA 1 36 GLU H . . 5.490 3.518 3.488 3.561 . 0 0 "[ . 1 . 2]" 1
1112 1 34 LEU HA 1 36 GLU QG . . 5.260 3.053 3.010 3.110 . 0 0 "[ . 1 . 2]" 1
1113 1 34 LEU HA 1 37 PHE H . . 5.100 3.550 3.506 3.590 . 0 0 "[ . 1 . 2]" 1
1114 1 34 LEU HA 1 37 PHE HB2 . . 5.770 3.720 3.634 3.797 . 0 0 "[ . 1 . 2]" 1
1115 1 34 LEU HA 1 37 PHE HB3 . . 5.820 5.328 5.248 5.396 . 0 0 "[ . 1 . 2]" 1
1116 1 34 LEU HA 1 37 PHE HZ . . 5.760 5.784 5.730 5.813 0.053 15 0 "[ . 1 . 2]" 1
1117 1 34 LEU HA 1 37 PHE QD . . 4.640 2.175 2.127 2.245 . 0 0 "[ . 1 . 2]" 1
1118 1 34 LEU HA 1 37 PHE QE . . 5.160 3.473 3.433 3.506 . 0 0 "[ . 1 . 2]" 1
1119 1 34 LEU HA 1 38 GLY H . . 5.840 5.566 5.493 5.643 . 0 0 "[ . 1 . 2]" 1
1120 1 34 LEU HA 1 40 ILE MD . . 5.290 3.928 3.880 3.983 . 0 0 "[ . 1 . 2]" 1
1121 1 34 LEU HA 1 56 PHE HZ . . 5.430 4.055 3.946 4.123 . 0 0 "[ . 1 . 2]" 1
1122 1 34 LEU HA 1 56 PHE QE . . 5.510 4.907 4.841 4.970 . 0 0 "[ . 1 . 2]" 1
1123 1 34 LEU HA 1 65 ALA MB . . 5.300 4.418 4.207 4.551 . 0 0 "[ . 1 . 2]" 1
1124 1 34 LEU HA 1 74 ILE MG . . 5.730 4.157 4.029 4.385 . 0 0 "[ . 1 . 2]" 1
1125 1 34 LEU HB2 1 35 GLN H . . 4.890 3.493 3.457 3.520 . 0 0 "[ . 1 . 2]" 1
1126 1 34 LEU HB2 1 37 PHE QD . . 5.610 4.667 4.629 4.698 . 0 0 "[ . 1 . 2]" 1
1127 1 34 LEU HB2 1 40 ILE MD . . 4.730 2.176 2.107 2.252 . 0 0 "[ . 1 . 2]" 1
1128 1 34 LEU HB2 1 54 VAL HB . . 5.860 5.029 4.858 5.211 . 0 0 "[ . 1 . 2]" 1
1129 1 34 LEU HB2 1 54 VAL MG1 . . 5.550 3.113 3.000 3.272 . 0 0 "[ . 1 . 2]" 1
1130 1 34 LEU HB2 1 54 VAL MG2 . . 5.550 3.592 3.411 3.829 . 0 0 "[ . 1 . 2]" 1
1131 1 34 LEU HB2 1 54 VAL QG . . 5.080 2.933 2.856 3.086 . 0 0 "[ . 1 . 2]" 1
1132 1 34 LEU HB2 1 56 PHE HZ . . 5.070 3.810 3.751 3.878 . 0 0 "[ . 1 . 2]" 1
1133 1 34 LEU HB2 1 56 PHE QE . . 5.470 4.555 4.457 4.630 . 0 0 "[ . 1 . 2]" 1
1134 1 34 LEU HB3 1 35 GLN H . . 5.140 4.210 4.180 4.238 . 0 0 "[ . 1 . 2]" 1
1135 1 34 LEU HB3 1 37 PHE H . . 5.720 4.521 4.473 4.547 . 0 0 "[ . 1 . 2]" 1
1136 1 34 LEU HB3 1 37 PHE QD . . 5.230 3.383 3.292 3.451 . 0 0 "[ . 1 . 2]" 1
1137 1 34 LEU HB3 1 40 ILE MD . . 4.990 2.589 2.513 2.656 . 0 0 "[ . 1 . 2]" 1
1138 1 34 LEU HB3 1 54 VAL MG1 . . 5.550 3.264 3.134 3.463 . 0 0 "[ . 1 . 2]" 1
1139 1 34 LEU HB3 1 54 VAL MG2 . . 5.550 4.270 4.104 4.528 . 0 0 "[ . 1 . 2]" 1
1140 1 34 LEU HB3 1 54 VAL QG . . 5.250 3.166 3.050 3.347 . 0 0 "[ . 1 . 2]" 1
1141 1 34 LEU HB3 1 56 PHE HZ . . 5.010 2.229 2.172 2.286 . 0 0 "[ . 1 . 2]" 1
1142 1 34 LEU HB3 1 56 PHE QD . . 5.750 5.369 5.271 5.424 . 0 0 "[ . 1 . 2]" 1
1143 1 34 LEU HB3 1 56 PHE QE . . 5.170 3.486 3.400 3.542 . 0 0 "[ . 1 . 2]" 1
1144 1 34 LEU HB3 1 65 ALA MB . . 5.700 3.811 3.714 3.913 . 0 0 "[ . 1 . 2]" 1
1145 1 34 LEU HG 1 35 GLN H . . 5.710 4.795 4.765 4.816 . 0 0 "[ . 1 . 2]" 1
1146 1 34 LEU HG 1 37 PHE QD . . 5.520 4.416 4.359 4.517 . 0 0 "[ . 1 . 2]" 1
1147 1 34 LEU HG 1 37 PHE QE . . 5.590 4.817 4.733 4.954 . 0 0 "[ . 1 . 2]" 1
1148 1 34 LEU HG 1 40 ILE MD . . 5.360 4.358 4.284 4.459 . 0 0 "[ . 1 . 2]" 1
1149 1 34 LEU HG 1 54 VAL HB . . 5.860 5.889 5.745 5.961 0.101 11 0 "[ . 1 . 2]" 1
1150 1 34 LEU HG 1 54 VAL MG1 . . 5.740 4.748 4.554 4.900 . 0 0 "[ . 1 . 2]" 1
1151 1 34 LEU HG 1 54 VAL MG2 . . 5.740 4.319 4.277 4.351 . 0 0 "[ . 1 . 2]" 1
1152 1 34 LEU HG 1 76 ILE MD . . 5.250 3.078 2.880 3.278 . 0 0 "[ . 1 . 2]" 1
1153 1 34 LEU HG 1 83 VAL QG . . 5.690 4.846 4.414 5.251 . 0 0 "[ . 1 . 2]" 1
1154 1 34 LEU MD1 1 35 GLN H . . 5.620 5.151 5.125 5.188 . 0 0 "[ . 1 . 2]" 1
1155 1 34 LEU MD1 1 40 ILE MD . . 5.310 3.392 3.311 3.480 . 0 0 "[ . 1 . 2]" 1
1156 1 34 LEU MD1 1 56 PHE HZ . . 5.280 3.616 3.430 3.757 . 0 0 "[ . 1 . 2]" 1
1157 1 34 LEU MD1 1 56 PHE QD . . 5.700 5.341 5.144 5.512 . 0 0 "[ . 1 . 2]" 1
1158 1 34 LEU MD1 1 56 PHE QE . . 5.100 3.519 3.293 3.723 . 0 0 "[ . 1 . 2]" 1
1159 1 34 LEU MD2 1 35 GLN H . . 5.620 4.907 4.872 4.928 . 0 0 "[ . 1 . 2]" 1
1160 1 34 LEU MD2 1 40 ILE MD . . 5.310 4.201 4.142 4.248 . 0 0 "[ . 1 . 2]" 1
1161 1 34 LEU MD2 1 56 PHE HZ . . 5.280 3.152 3.089 3.214 . 0 0 "[ . 1 . 2]" 1
1162 1 34 LEU MD2 1 56 PHE QD . . 5.700 5.738 5.719 5.756 0.056 19 0 "[ . 1 . 2]" 1
1163 1 34 LEU MD2 1 56 PHE QE . . 5.100 3.851 3.837 3.872 . 0 0 "[ . 1 . 2]" 1
1164 1 34 LEU QD 1 37 PHE H . . 5.590 4.497 4.437 4.539 . 0 0 "[ . 1 . 2]" 1
1165 1 34 LEU QD 1 37 PHE HB2 . . 5.560 3.645 3.560 3.721 . 0 0 "[ . 1 . 2]" 1
1166 1 34 LEU QD 1 37 PHE HB3 . . 5.780 4.602 4.517 4.680 . 0 0 "[ . 1 . 2]" 1
1167 1 34 LEU QD 1 37 PHE HZ . . 5.430 4.563 4.492 4.639 . 0 0 "[ . 1 . 2]" 1
1168 1 34 LEU QD 1 37 PHE QD . . 4.660 2.232 2.182 2.279 . 0 0 "[ . 1 . 2]" 1
1169 1 34 LEU QD 1 37 PHE QE . . 4.730 2.539 2.433 2.632 . 0 0 "[ . 1 . 2]" 1
1170 1 34 LEU QD 1 40 ILE HG12 . . 5.840 4.578 4.456 4.671 . 0 0 "[ . 1 . 2]" 1
1171 1 34 LEU QD 1 40 ILE MD . . 4.560 3.256 3.193 3.328 . 0 0 "[ . 1 . 2]" 1
1172 1 34 LEU QD 1 54 VAL HB . . 4.790 2.832 2.738 2.941 . 0 0 "[ . 1 . 2]" 1
1173 1 34 LEU QD 1 54 VAL QG . . 4.110 1.930 1.897 1.975 . 0 0 "[ . 1 . 2]" 1
1174 1 34 LEU QD 1 56 PHE HZ . . 4.770 2.965 2.902 3.042 . 0 0 "[ . 1 . 2]" 1
1175 1 34 LEU QD 1 56 PHE QE . . 4.770 3.257 3.121 3.365 . 0 0 "[ . 1 . 2]" 1
1176 1 34 LEU QD 1 65 ALA H . . 5.840 5.018 4.913 5.094 . 0 0 "[ . 1 . 2]" 1
1177 1 34 LEU QD 1 65 ALA HA . . 5.230 3.893 3.758 4.051 . 0 0 "[ . 1 . 2]" 1
1178 1 34 LEU QD 1 66 VAL H . . 5.840 5.633 5.470 5.767 . 0 0 "[ . 1 . 2]" 1
1179 1 34 LEU QD 1 68 TYR QD . . 5.840 5.449 5.264 5.546 . 0 0 "[ . 1 . 2]" 1
1180 1 34 LEU QD 1 74 ILE HG12 . . 5.610 4.132 4.004 4.327 . 0 0 "[ . 1 . 2]" 1
1181 1 34 LEU QD 1 74 ILE MD . . 4.280 2.340 2.155 2.578 . 0 0 "[ . 1 . 2]" 1
1182 1 34 LEU QD 1 74 ILE MG . . 4.670 2.199 2.099 2.332 . 0 0 "[ . 1 . 2]" 1
1183 1 34 LEU QD 1 83 VAL QG . . 4.500 2.614 2.333 2.872 . 0 0 "[ . 1 . 2]" 1
1184 1 35 GLN H 1 35 GLN HE21 . . 5.550 3.560 3.527 3.596 . 0 0 "[ . 1 . 2]" 1
1185 1 35 GLN H 1 35 GLN HE22 . . 5.850 5.114 5.090 5.142 . 0 0 "[ . 1 . 2]" 1
1186 1 35 GLN H 1 35 GLN HG2 . . 4.490 2.073 2.039 2.106 . 0 0 "[ . 1 . 2]" 1
1187 1 35 GLN H 1 35 GLN HG3 . . 5.310 3.340 3.305 3.380 . 0 0 "[ . 1 . 2]" 1
1188 1 35 GLN H 1 36 GLU H . . 4.790 2.638 2.614 2.656 . 0 0 "[ . 1 . 2]" 1
1189 1 35 GLN H 1 37 PHE H . . 5.600 4.234 4.206 4.261 . 0 0 "[ . 1 . 2]" 1
1190 1 35 GLN H 1 37 PHE QD . . 5.860 5.191 5.133 5.239 . 0 0 "[ . 1 . 2]" 1
1191 1 35 GLN H 1 38 GLY H . . 5.830 5.396 5.312 5.462 . 0 0 "[ . 1 . 2]" 1
1192 1 35 GLN H 1 40 ILE HG12 . . 5.780 5.605 5.536 5.655 . 0 0 "[ . 1 . 2]" 1
1193 1 35 GLN H 1 40 ILE MD . . 4.700 2.905 2.867 2.956 . 0 0 "[ . 1 . 2]" 1
1194 1 35 GLN H 1 54 VAL QG . . 5.840 5.323 5.223 5.459 . 0 0 "[ . 1 . 2]" 1
1195 1 35 GLN HA 1 36 GLU HA . . 5.670 4.788 4.778 4.801 . 0 0 "[ . 1 . 2]" 1
1196 1 35 GLN HA 1 37 PHE H . . 5.360 3.537 3.490 3.577 . 0 0 "[ . 1 . 2]" 1
1197 1 35 GLN HA 1 37 PHE QD . . 5.840 5.578 5.539 5.619 . 0 0 "[ . 1 . 2]" 1
1198 1 35 GLN HA 1 38 GLY H . . 4.950 3.317 3.211 3.382 . 0 0 "[ . 1 . 2]" 1
1199 1 35 GLN HA 1 38 GLY QA . . 5.620 4.802 4.690 4.877 . 0 0 "[ . 1 . 2]" 1
1200 1 35 GLN HA 1 40 ILE H . . 5.920 4.049 3.944 4.210 . 0 0 "[ . 1 . 2]" 1
1201 1 35 GLN HA 1 40 ILE HG12 . . 5.630 4.110 4.084 4.167 . 0 0 "[ . 1 . 2]" 1
1202 1 35 GLN HA 1 40 ILE HG13 . . 4.800 2.600 2.539 2.674 . 0 0 "[ . 1 . 2]" 1
1203 1 35 GLN HA 1 40 ILE MD . . 4.500 2.561 2.511 2.627 . 0 0 "[ . 1 . 2]" 1
1204 1 35 GLN HA 1 56 PHE HZ . . 5.860 4.792 4.711 4.886 . 0 0 "[ . 1 . 2]" 1
1205 1 35 GLN HA 1 56 PHE QE . . 5.360 3.544 3.483 3.657 . 0 0 "[ . 1 . 2]" 1
1206 1 35 GLN HB2 1 35 GLN HE22 . . 5.520 4.041 4.000 4.061 . 0 0 "[ . 1 . 2]" 1
1207 1 35 GLN HB2 1 36 GLU H . . 5.630 4.125 4.107 4.140 . 0 0 "[ . 1 . 2]" 1
1208 1 35 GLN HB2 1 38 GLY H . . 5.860 4.812 4.731 4.852 . 0 0 "[ . 1 . 2]" 1
1209 1 35 GLN HB2 1 39 PRO HA . . 5.620 4.496 4.315 4.671 . 0 0 "[ . 1 . 2]" 1
1210 1 35 GLN HB2 1 40 ILE H . . 5.820 4.440 4.314 4.579 . 0 0 "[ . 1 . 2]" 1
1211 1 35 GLN HB2 1 40 ILE HG12 . . 6.000 6.019 6.003 6.047 0.047 14 0 "[ . 1 . 2]" 1
1212 1 35 GLN HB2 1 40 ILE HG13 . . 5.670 4.375 4.343 4.408 . 0 0 "[ . 1 . 2]" 1
1213 1 35 GLN HB2 1 40 ILE MD . . 5.130 3.773 3.714 3.856 . 0 0 "[ . 1 . 2]" 1
1214 1 35 GLN HB3 1 40 ILE H . . 5.790 4.657 4.534 4.804 . 0 0 "[ . 1 . 2]" 1
1215 1 35 GLN HB3 1 40 ILE HG12 . . 5.860 5.334 5.294 5.373 . 0 0 "[ . 1 . 2]" 1
1216 1 35 GLN HB3 1 40 ILE HG13 . . 5.440 4.010 3.955 4.069 . 0 0 "[ . 1 . 2]" 1
1217 1 35 GLN HB3 1 40 ILE MD . . 5.230 2.610 2.566 2.682 . 0 0 "[ . 1 . 2]" 1
1218 1 35 GLN HE21 1 36 GLU H . . 5.800 5.359 5.330 5.391 . 0 0 "[ . 1 . 2]" 1
1219 1 35 GLN HE21 1 40 ILE HB . . 6.000 5.210 5.088 5.370 . 0 0 "[ . 1 . 2]" 1
1220 1 35 GLN HE21 1 40 ILE MD . . 5.640 3.804 3.748 3.883 . 0 0 "[ . 1 . 2]" 1
1221 1 35 GLN HE22 1 40 ILE MD . . 5.840 5.280 5.218 5.361 . 0 0 "[ . 1 . 2]" 1
1222 1 35 GLN HG2 1 36 GLU H . . 5.120 2.870 2.837 2.903 . 0 0 "[ . 1 . 2]" 1
1223 1 35 GLN HG2 1 36 GLU HA . . 5.390 4.710 4.654 4.763 . 0 0 "[ . 1 . 2]" 1
1224 1 35 GLN HG2 1 36 GLU HB2 . . 5.860 5.816 5.752 5.862 0.002 13 0 "[ . 1 . 2]" 1
1225 1 35 GLN HG2 1 36 GLU QG . . 5.600 4.253 4.230 4.300 . 0 0 "[ . 1 . 2]" 1
1226 1 35 GLN HG2 1 37 PHE H . . 5.740 5.180 5.159 5.206 . 0 0 "[ . 1 . 2]" 1
1227 1 35 GLN HG2 1 40 ILE MD . . 5.440 4.215 4.171 4.253 . 0 0 "[ . 1 . 2]" 1
1228 1 35 GLN HG3 1 36 GLU H . . 4.940 2.870 2.838 2.907 . 0 0 "[ . 1 . 2]" 1
1229 1 35 GLN HG3 1 36 GLU HA . . 5.050 3.470 3.425 3.505 . 0 0 "[ . 1 . 2]" 1
1230 1 35 GLN HG3 1 37 PHE H . . 5.840 4.933 4.903 4.958 . 0 0 "[ . 1 . 2]" 1
1231 1 35 GLN HG3 1 38 GLY H . . 5.860 5.443 5.397 5.479 . 0 0 "[ . 1 . 2]" 1
1232 1 35 GLN HG3 1 40 ILE MD . . 5.690 4.978 4.954 5.028 . 0 0 "[ . 1 . 2]" 1
1233 1 36 GLU H 1 36 GLU QG . . 4.590 1.962 1.948 1.981 . 0 0 "[ . 1 . 2]" 1
1234 1 36 GLU H 1 37 PHE H . . 4.570 2.640 2.618 2.658 . 0 0 "[ . 1 . 2]" 1
1235 1 36 GLU H 1 37 PHE HA . . 5.820 5.213 5.193 5.230 . 0 0 "[ . 1 . 2]" 1
1236 1 36 GLU H 1 37 PHE QD . . 5.590 4.364 4.270 4.445 . 0 0 "[ . 1 . 2]" 1
1237 1 36 GLU H 1 37 PHE QE . . 5.860 5.563 5.489 5.628 . 0 0 "[ . 1 . 2]" 1
1238 1 36 GLU H 1 38 GLY H . . 5.430 4.256 4.223 4.305 . 0 0 "[ . 1 . 2]" 1
1239 1 36 GLU H 1 40 ILE MD . . 5.590 4.583 4.550 4.628 . 0 0 "[ . 1 . 2]" 1
1240 1 36 GLU HA 1 37 PHE H . . 4.950 3.435 3.422 3.447 . 0 0 "[ . 1 . 2]" 1
1241 1 36 GLU HA 1 38 GLY H . . 5.460 3.962 3.912 4.007 . 0 0 "[ . 1 . 2]" 1
1242 1 36 GLU HB2 1 37 PHE HA . . 5.470 4.761 4.746 4.776 . 0 0 "[ . 1 . 2]" 1
1243 1 36 GLU HB2 1 37 PHE QE . . 5.860 5.626 5.534 5.727 . 0 0 "[ . 1 . 2]" 1
1244 1 36 GLU QG 1 37 PHE H . . 5.440 2.786 2.742 2.816 . 0 0 "[ . 1 . 2]" 1
1245 1 36 GLU QG 1 37 PHE HA . . 5.800 3.696 3.672 3.737 . 0 0 "[ . 1 . 2]" 1
1246 1 37 PHE H 1 37 PHE QD . . 4.680 3.120 3.030 3.188 . 0 0 "[ . 1 . 2]" 1
1247 1 37 PHE H 1 37 PHE QE . . 6.000 4.939 4.875 4.994 . 0 0 "[ . 1 . 2]" 1
1248 1 37 PHE H 1 38 GLY H . . 4.450 2.345 2.297 2.378 . 0 0 "[ . 1 . 2]" 1
1249 1 37 PHE H 1 38 GLY QA . . 5.590 4.421 4.383 4.446 . 0 0 "[ . 1 . 2]" 1
1250 1 37 PHE H 1 40 ILE MD . . 5.740 4.592 4.536 4.626 . 0 0 "[ . 1 . 2]" 1
1251 1 37 PHE H 1 56 PHE HZ . . 5.340 4.371 4.208 4.465 . 0 0 "[ . 1 . 2]" 1
1252 1 37 PHE H 1 56 PHE QE . . 5.260 3.650 3.500 3.754 . 0 0 "[ . 1 . 2]" 1
1253 1 37 PHE H 1 65 ALA MB . . 6.000 4.943 4.800 5.089 . 0 0 "[ . 1 . 2]" 1
1254 1 37 PHE HA 1 37 PHE QE . . 5.480 4.395 4.368 4.425 . 0 0 "[ . 1 . 2]" 1
1255 1 37 PHE HA 1 38 GLY H . . 4.970 3.392 3.371 3.409 . 0 0 "[ . 1 . 2]" 1
1256 1 37 PHE HA 1 38 GLY QA . . 5.410 4.204 4.196 4.215 . 0 0 "[ . 1 . 2]" 1
1257 1 37 PHE HA 1 56 PHE HZ . . 6.000 5.769 5.623 5.849 . 0 0 "[ . 1 . 2]" 1
1258 1 37 PHE HA 1 56 PHE QE . . 5.790 4.917 4.790 5.012 . 0 0 "[ . 1 . 2]" 1
1259 1 37 PHE HA 1 64 ASN HB2 . . 5.430 3.691 3.598 3.770 . 0 0 "[ . 1 . 2]" 1
1260 1 37 PHE HA 1 64 ASN HD21 . . 5.480 3.754 3.702 3.812 . 0 0 "[ . 1 . 2]" 1
1261 1 37 PHE HA 1 65 ALA MB . . 5.800 4.969 4.851 5.141 . 0 0 "[ . 1 . 2]" 1
1262 1 37 PHE HB2 1 38 GLY H . . 4.760 3.413 3.360 3.466 . 0 0 "[ . 1 . 2]" 1
1263 1 37 PHE HB2 1 56 PHE HZ . . 5.270 2.842 2.671 2.931 . 0 0 "[ . 1 . 2]" 1
1264 1 37 PHE HB2 1 56 PHE QD . . 5.720 5.035 4.888 5.153 . 0 0 "[ . 1 . 2]" 1
1265 1 37 PHE HB2 1 56 PHE QE . . 5.200 2.991 2.856 3.089 . 0 0 "[ . 1 . 2]" 1
1266 1 37 PHE HB2 1 64 ASN HB2 . . 5.310 4.070 4.024 4.133 . 0 0 "[ . 1 . 2]" 1
1267 1 37 PHE HB2 1 65 ALA H . . 5.560 4.254 4.113 4.363 . 0 0 "[ . 1 . 2]" 1
1268 1 37 PHE HB2 1 65 ALA MB . . 5.270 2.860 2.714 3.020 . 0 0 "[ . 1 . 2]" 1
1269 1 37 PHE HB3 1 38 GLY H . . 5.160 4.082 4.044 4.111 . 0 0 "[ . 1 . 2]" 1
1270 1 37 PHE HB3 1 56 PHE HZ . . 5.490 4.025 3.914 4.139 . 0 0 "[ . 1 . 2]" 1
1271 1 37 PHE HB3 1 56 PHE QD . . 5.860 5.374 5.254 5.471 . 0 0 "[ . 1 . 2]" 1
1272 1 37 PHE HB3 1 56 PHE QE . . 5.420 3.884 3.785 4.011 . 0 0 "[ . 1 . 2]" 1
1273 1 37 PHE HB3 1 64 ASN H . . 5.330 4.303 4.230 4.397 . 0 0 "[ . 1 . 2]" 1
1274 1 37 PHE HB3 1 64 ASN HB2 . . 5.310 2.369 2.324 2.426 . 0 0 "[ . 1 . 2]" 1
1275 1 37 PHE HB3 1 65 ALA H . . 5.280 3.103 2.966 3.199 . 0 0 "[ . 1 . 2]" 1
1276 1 37 PHE HB3 1 65 ALA HA . . 5.700 3.500 3.408 3.585 . 0 0 "[ . 1 . 2]" 1
1277 1 37 PHE HB3 1 65 ALA MB . . 5.130 2.900 2.807 3.073 . 0 0 "[ . 1 . 2]" 1
1278 1 37 PHE HZ 1 65 ALA HA . . 5.460 4.115 3.922 4.402 . 0 0 "[ . 1 . 2]" 1
1279 1 37 PHE HZ 1 65 ALA MB . . 5.580 5.007 4.785 5.279 . 0 0 "[ . 1 . 2]" 1
1280 1 37 PHE HZ 1 68 TYR HB2 . . 5.460 3.875 3.604 4.142 . 0 0 "[ . 1 . 2]" 1
1281 1 37 PHE HZ 1 68 TYR HB3 . . 5.290 3.152 2.958 3.385 . 0 0 "[ . 1 . 2]" 1
1282 1 37 PHE HZ 1 68 TYR QD . . 5.100 3.012 2.838 3.100 . 0 0 "[ . 1 . 2]" 1
1283 1 37 PHE HZ 1 68 TYR QE . . 5.190 3.566 3.449 3.669 . 0 0 "[ . 1 . 2]" 1
1284 1 37 PHE HZ 1 69 ALA H . . 5.860 5.596 5.515 5.743 . 0 0 "[ . 1 . 2]" 1
1285 1 37 PHE HZ 1 69 ALA HA . . 6.000 6.007 5.900 6.044 0.044 16 0 "[ . 1 . 2]" 1
1286 1 37 PHE HZ 1 69 ALA MB . . 5.860 5.758 5.565 5.868 0.008 1 0 "[ . 1 . 2]" 1
1287 1 37 PHE HZ 1 74 ILE HG12 . . 5.360 2.817 2.618 3.106 . 0 0 "[ . 1 . 2]" 1
1288 1 37 PHE HZ 1 74 ILE HG13 . . 5.440 4.207 4.051 4.481 . 0 0 "[ . 1 . 2]" 1
1289 1 37 PHE HZ 1 74 ILE MD . . 4.960 3.132 2.992 3.388 . 0 0 "[ . 1 . 2]" 1
1290 1 37 PHE HZ 1 74 ILE MG . . 5.470 3.964 3.707 4.222 . 0 0 "[ . 1 . 2]" 1
1291 1 37 PHE QD 1 61 GLY QA . . 5.860 5.245 5.152 5.319 . 0 0 "[ . 1 . 2]" 1
1292 1 37 PHE QD 1 64 ASN HB2 . . 5.120 3.331 3.247 3.445 . 0 0 "[ . 1 . 2]" 1
1293 1 37 PHE QD 1 64 ASN HB3 . . 4.890 2.301 2.225 2.379 . 0 0 "[ . 1 . 2]" 1
1294 1 37 PHE QD 1 64 ASN HD21 . . 5.690 4.389 4.295 4.484 . 0 0 "[ . 1 . 2]" 1
1295 1 37 PHE QD 1 65 ALA HA . . 5.120 3.259 3.156 3.354 . 0 0 "[ . 1 . 2]" 1
1296 1 37 PHE QD 1 65 ALA MB . . 4.670 3.047 2.850 3.251 . 0 0 "[ . 1 . 2]" 1
1297 1 37 PHE QD 1 68 TYR HB2 . . 5.730 4.162 4.016 4.442 . 0 0 "[ . 1 . 2]" 1
1298 1 37 PHE QD 1 68 TYR HB3 . . 5.650 4.214 4.105 4.413 . 0 0 "[ . 1 . 2]" 1
1299 1 37 PHE QD 1 74 ILE MD . . 5.110 3.563 3.448 3.750 . 0 0 "[ . 1 . 2]" 1
1300 1 37 PHE QD 1 83 VAL QG . . 5.840 4.866 4.729 4.992 . 0 0 "[ . 1 . 2]" 1
1301 1 37 PHE QE 1 64 ASN HA . . 5.860 5.406 5.239 5.508 . 0 0 "[ . 1 . 2]" 1
1302 1 37 PHE QE 1 64 ASN HB2 . . 5.860 5.423 5.342 5.537 . 0 0 "[ . 1 . 2]" 1
1303 1 37 PHE QE 1 64 ASN HB3 . . 5.540 4.272 4.171 4.381 . 0 0 "[ . 1 . 2]" 1
1304 1 37 PHE QE 1 65 ALA HA . . 5.250 3.527 3.383 3.735 . 0 0 "[ . 1 . 2]" 1
1305 1 37 PHE QE 1 65 ALA MB . . 4.820 3.940 3.708 4.194 . 0 0 "[ . 1 . 2]" 1
1306 1 37 PHE QE 1 68 TYR HA . . 5.690 4.720 4.604 4.840 . 0 0 "[ . 1 . 2]" 1
1307 1 37 PHE QE 1 68 TYR HB2 . . 5.180 2.467 2.334 2.631 . 0 0 "[ . 1 . 2]" 1
1308 1 37 PHE QE 1 68 TYR HB3 . . 5.160 2.742 2.602 2.970 . 0 0 "[ . 1 . 2]" 1
1309 1 37 PHE QE 1 69 ALA MB . . 5.670 5.605 5.414 5.694 0.024 10 0 "[ . 1 . 2]" 1
1310 1 37 PHE QE 1 74 ILE HG12 . . 5.560 2.982 2.851 3.200 . 0 0 "[ . 1 . 2]" 1
1311 1 37 PHE QE 1 74 ILE MD . . 4.890 2.368 2.268 2.470 . 0 0 "[ . 1 . 2]" 1
1312 1 37 PHE QE 1 83 VAL QG . . 5.590 4.643 4.506 4.784 . 0 0 "[ . 1 . 2]" 1
1313 1 38 GLY H 1 39 PRO HD2 . . 5.570 4.764 4.756 4.777 . 0 0 "[ . 1 . 2]" 1
1314 1 38 GLY H 1 39 PRO HD3 . . 5.730 4.833 4.811 4.846 . 0 0 "[ . 1 . 2]" 1
1315 1 38 GLY H 1 40 ILE HG12 . . 5.860 5.741 5.662 5.813 . 0 0 "[ . 1 . 2]" 1
1316 1 38 GLY H 1 40 ILE HG13 . . 5.400 4.514 4.447 4.561 . 0 0 "[ . 1 . 2]" 1
1317 1 38 GLY H 1 40 ILE MD . . 5.540 4.845 4.809 4.890 . 0 0 "[ . 1 . 2]" 1
1318 1 38 GLY H 1 56 PHE HZ . . 5.440 4.823 4.735 4.882 . 0 0 "[ . 1 . 2]" 1
1319 1 38 GLY H 1 56 PHE QD . . 5.390 4.390 4.320 4.500 . 0 0 "[ . 1 . 2]" 1
1320 1 38 GLY H 1 56 PHE QE . . 4.540 2.886 2.794 2.948 . 0 0 "[ . 1 . 2]" 1
1321 1 38 GLY H 1 64 ASN HB2 . . 5.830 5.447 5.387 5.544 . 0 0 "[ . 1 . 2]" 1
1322 1 38 GLY QA 1 39 PRO HA . . 5.270 4.050 4.044 4.056 . 0 0 "[ . 1 . 2]" 1
1323 1 38 GLY QA 1 39 PRO HB2 . . 5.770 5.183 5.177 5.187 . 0 0 "[ . 1 . 2]" 1
1324 1 38 GLY QA 1 39 PRO HB3 . . 5.800 4.572 4.559 4.586 . 0 0 "[ . 1 . 2]" 1
1325 1 38 GLY QA 1 39 PRO HD2 . . 4.820 2.198 2.186 2.212 . 0 0 "[ . 1 . 2]" 1
1326 1 38 GLY QA 1 39 PRO HD3 . . 4.840 2.459 2.434 2.479 . 0 0 "[ . 1 . 2]" 1
1327 1 38 GLY QA 1 39 PRO HG2 . . 5.380 4.051 4.034 4.069 . 0 0 "[ . 1 . 2]" 1
1328 1 38 GLY QA 1 40 ILE H . . 5.860 5.320 5.249 5.403 . 0 0 "[ . 1 . 2]" 1
1329 1 38 GLY QA 1 56 PHE QD . . 5.470 2.891 2.816 3.021 . 0 0 "[ . 1 . 2]" 1
1330 1 38 GLY QA 1 56 PHE QE . . 5.660 3.164 3.039 3.262 . 0 0 "[ . 1 . 2]" 1
1331 1 38 GLY QA 1 61 GLY H . . 5.410 4.328 4.197 4.518 . 0 0 "[ . 1 . 2]" 1
1332 1 38 GLY QA 1 61 GLY QA . . 5.580 2.341 2.260 2.513 . 0 0 "[ . 1 . 2]" 1
1333 1 39 PRO HA 1 40 ILE H . . 4.050 2.176 2.161 2.190 . 0 0 "[ . 1 . 2]" 1
1334 1 39 PRO HA 1 40 ILE HA . . 5.490 4.438 4.428 4.448 . 0 0 "[ . 1 . 2]" 1
1335 1 39 PRO HA 1 40 ILE HB . . 5.520 4.429 4.410 4.456 . 0 0 "[ . 1 . 2]" 1
1336 1 39 PRO HA 1 40 ILE HG12 . . 5.860 5.369 5.265 5.425 . 0 0 "[ . 1 . 2]" 1
1337 1 39 PRO HA 1 40 ILE HG13 . . 5.430 3.920 3.818 4.016 . 0 0 "[ . 1 . 2]" 1
1338 1 39 PRO HA 1 40 ILE MD . . 5.860 5.047 4.954 5.147 . 0 0 "[ . 1 . 2]" 1
1339 1 39 PRO HA 1 40 ILE MG . . 5.860 5.461 5.451 5.477 . 0 0 "[ . 1 . 2]" 1
1340 1 39 PRO HA 1 56 PHE QD . . 5.860 4.500 4.430 4.564 . 0 0 "[ . 1 . 2]" 1
1341 1 39 PRO HA 1 56 PHE QE . . 5.800 5.076 5.020 5.127 . 0 0 "[ . 1 . 2]" 1
1342 1 39 PRO HB2 1 40 ILE H . . 5.080 3.615 3.506 3.686 . 0 0 "[ . 1 . 2]" 1
1343 1 39 PRO HB2 1 57 GLU HG3 . . 4.770 2.841 2.715 2.920 . 0 0 "[ . 1 . 2]" 1
1344 1 39 PRO HB3 1 56 PHE QD . . 5.860 5.636 5.575 5.688 . 0 0 "[ . 1 . 2]" 1
1345 1 39 PRO HD2 1 40 ILE H . . 5.860 5.600 5.563 5.630 . 0 0 "[ . 1 . 2]" 1
1346 1 39 PRO HD2 1 56 PHE QD . . 5.690 3.517 3.394 3.604 . 0 0 "[ . 1 . 2]" 1
1347 1 39 PRO HD2 1 56 PHE QE . . 5.860 4.929 4.774 5.015 . 0 0 "[ . 1 . 2]" 1
1348 1 39 PRO HD2 1 58 ASP HB2 . . 5.620 3.772 3.598 4.070 . 0 0 "[ . 1 . 2]" 1
1349 1 39 PRO HD2 1 58 ASP HB3 . . 5.860 5.388 5.218 5.704 . 0 0 "[ . 1 . 2]" 1
1350 1 39 PRO HD2 1 60 LEU HB3 . . 5.860 5.451 5.342 5.616 . 0 0 "[ . 1 . 2]" 1
1351 1 39 PRO HD2 1 60 LEU QD . . 5.810 5.346 5.229 5.464 . 0 0 "[ . 1 . 2]" 1
1352 1 39 PRO HD3 1 40 ILE H . . 5.860 5.501 5.467 5.525 . 0 0 "[ . 1 . 2]" 1
1353 1 39 PRO HD3 1 56 PHE QD . . 5.640 4.822 4.741 4.882 . 0 0 "[ . 1 . 2]" 1
1354 1 39 PRO HG2 1 56 PHE QD . . 5.860 3.976 3.848 4.052 . 0 0 "[ . 1 . 2]" 1
1355 1 39 PRO HG2 1 57 GLU H . . 5.140 3.029 2.925 3.124 . 0 0 "[ . 1 . 2]" 1
1356 1 39 PRO HG2 1 57 GLU HB2 . . 4.320 2.176 2.141 2.211 . 0 0 "[ . 1 . 2]" 1
1357 1 39 PRO HG2 1 58 ASP H . . 4.750 3.462 3.302 3.626 . 0 0 "[ . 1 . 2]" 1
1358 1 40 ILE H 1 40 ILE HB . . 4.250 2.337 2.318 2.378 . 0 0 "[ . 1 . 2]" 1
1359 1 40 ILE H 1 40 ILE HG12 . . 5.360 3.921 3.871 3.986 . 0 0 "[ . 1 . 2]" 1
1360 1 40 ILE H 1 40 ILE HG13 . . 4.730 2.724 2.654 2.793 . 0 0 "[ . 1 . 2]" 1
1361 1 40 ILE H 1 40 ILE MD . . 5.230 3.781 3.732 3.846 . 0 0 "[ . 1 . 2]" 1
1362 1 40 ILE H 1 41 SER H . . 5.550 4.581 4.569 4.591 . 0 0 "[ . 1 . 2]" 1
1363 1 40 ILE H 1 54 VAL QG . . 6.000 5.565 5.461 5.750 . 0 0 "[ . 1 . 2]" 1
1364 1 40 ILE H 1 56 PHE QD . . 6.000 4.566 4.488 4.721 . 0 0 "[ . 1 . 2]" 1
1365 1 40 ILE HA 1 41 SER H . . 4.340 2.207 2.194 2.224 . 0 0 "[ . 1 . 2]" 1
1366 1 40 ILE HA 1 41 SER QB . . 5.270 3.906 3.870 3.946 . 0 0 "[ . 1 . 2]" 1
1367 1 40 ILE HA 1 42 TYR H . . 5.290 4.031 3.998 4.061 . 0 0 "[ . 1 . 2]" 1
1368 1 40 ILE HA 1 43 VAL QG . . 5.730 5.013 4.954 5.102 . 0 0 "[ . 1 . 2]" 1
1369 1 40 ILE HA 1 54 VAL QG . . 5.190 3.937 3.818 4.103 . 0 0 "[ . 1 . 2]" 1
1370 1 40 ILE HA 1 56 PHE HA . . 4.590 2.153 2.095 2.214 . 0 0 "[ . 1 . 2]" 1
1371 1 40 ILE HA 1 56 PHE HB3 . . 5.540 4.054 3.985 4.131 . 0 0 "[ . 1 . 2]" 1
1372 1 40 ILE HA 1 56 PHE QD . . 5.210 3.418 3.337 3.546 . 0 0 "[ . 1 . 2]" 1
1373 1 40 ILE HA 1 57 GLU H . . 4.490 3.180 3.042 3.310 . 0 0 "[ . 1 . 2]" 1
1374 1 40 ILE HA 1 57 GLU HG2 . . 5.820 5.109 4.851 5.194 . 0 0 "[ . 1 . 2]" 1
1375 1 40 ILE HB 1 41 SER H . . 5.300 4.138 4.107 4.169 . 0 0 "[ . 1 . 2]" 1
1376 1 40 ILE HB 1 42 TYR H . . 5.710 4.918 4.845 4.975 . 0 0 "[ . 1 . 2]" 1
1377 1 40 ILE HB 1 43 VAL QG . . 5.340 4.104 4.038 4.173 . 0 0 "[ . 1 . 2]" 1
1378 1 40 ILE HB 1 54 VAL QG . . 5.400 4.301 4.223 4.422 . 0 0 "[ . 1 . 2]" 1
1379 1 40 ILE HB 1 56 PHE HA . . 5.690 5.153 5.079 5.220 . 0 0 "[ . 1 . 2]" 1
1380 1 40 ILE HB 1 56 PHE QD . . 5.860 5.429 5.361 5.513 . 0 0 "[ . 1 . 2]" 1
1381 1 40 ILE HB 1 56 PHE QE . . 6.000 5.342 5.210 5.465 . 0 0 "[ . 1 . 2]" 1
1382 1 40 ILE HB 1 57 GLU HG3 . . 5.750 5.487 5.379 5.667 . 0 0 "[ . 1 . 2]" 1
1383 1 40 ILE HG12 1 41 SER H . . 5.390 3.929 3.878 4.002 . 0 0 "[ . 1 . 2]" 1
1384 1 40 ILE HG12 1 42 TYR H . . 5.750 4.943 4.898 5.018 . 0 0 "[ . 1 . 2]" 1
1385 1 40 ILE HG12 1 43 VAL QG . . 5.660 4.285 4.177 4.395 . 0 0 "[ . 1 . 2]" 1
1386 1 40 ILE HG12 1 54 VAL QG . . 4.690 2.675 2.554 2.887 . 0 0 "[ . 1 . 2]" 1
1387 1 40 ILE HG12 1 56 PHE HA . . 5.290 3.621 3.474 3.713 . 0 0 "[ . 1 . 2]" 1
1388 1 40 ILE HG12 1 56 PHE HZ . . 5.860 3.687 3.601 3.785 . 0 0 "[ . 1 . 2]" 1
1389 1 40 ILE HG12 1 56 PHE QD . . 5.390 3.574 3.519 3.664 . 0 0 "[ . 1 . 2]" 1
1390 1 40 ILE HG12 1 56 PHE QE . . 5.410 3.280 3.205 3.382 . 0 0 "[ . 1 . 2]" 1
1391 1 40 ILE HG12 1 57 GLU H . . 5.700 5.233 5.071 5.331 . 0 0 "[ . 1 . 2]" 1
1392 1 40 ILE HG12 1 57 GLU QG . . 5.860 5.804 5.634 5.866 0.006 4 0 "[ . 1 . 2]" 1
1393 1 40 ILE HG13 1 41 SER H . . 5.710 4.788 4.748 4.818 . 0 0 "[ . 1 . 2]" 1
1394 1 40 ILE HG13 1 56 PHE HB3 . . 5.860 5.459 5.353 5.554 . 0 0 "[ . 1 . 2]" 1
1395 1 40 ILE HG13 1 56 PHE HZ . . 5.570 4.181 4.043 4.289 . 0 0 "[ . 1 . 2]" 1
1396 1 40 ILE HG13 1 56 PHE QD . . 5.330 3.594 3.490 3.722 . 0 0 "[ . 1 . 2]" 1
1397 1 40 ILE HG13 1 56 PHE QE . . 5.210 2.992 2.853 3.146 . 0 0 "[ . 1 . 2]" 1
1398 1 40 ILE HG13 1 57 GLU H . . 5.810 5.367 5.230 5.485 . 0 0 "[ . 1 . 2]" 1
1399 1 40 ILE MD 1 41 SER H . . 5.660 4.805 4.766 4.847 . 0 0 "[ . 1 . 2]" 1
1400 1 40 ILE MD 1 54 VAL HA . . 5.780 5.144 5.015 5.287 . 0 0 "[ . 1 . 2]" 1
1401 1 40 ILE MD 1 54 VAL HB . . 5.860 4.678 4.531 4.844 . 0 0 "[ . 1 . 2]" 1
1402 1 40 ILE MD 1 54 VAL QG . . 4.980 2.327 2.239 2.454 . 0 0 "[ . 1 . 2]" 1
1403 1 40 ILE MD 1 56 PHE HZ . . 5.190 3.326 3.186 3.415 . 0 0 "[ . 1 . 2]" 1
1404 1 40 ILE MD 1 56 PHE QD . . 5.730 4.488 4.408 4.567 . 0 0 "[ . 1 . 2]" 1
1405 1 40 ILE MD 1 56 PHE QE . . 5.070 3.420 3.313 3.509 . 0 0 "[ . 1 . 2]" 1
1406 1 40 ILE MG 1 41 SER H . . 4.470 2.359 2.311 2.407 . 0 0 "[ . 1 . 2]" 1
1407 1 40 ILE MG 1 41 SER HA . . 5.170 3.791 3.766 3.824 . 0 0 "[ . 1 . 2]" 1
1408 1 40 ILE MG 1 41 SER HB2 . . 5.550 4.646 4.584 4.676 . 0 0 "[ . 1 . 2]" 1
1409 1 40 ILE MG 1 41 SER HB3 . . 5.550 4.150 4.103 4.195 . 0 0 "[ . 1 . 2]" 1
1410 1 40 ILE MG 1 41 SER QB . . 5.280 3.875 3.847 3.899 . 0 0 "[ . 1 . 2]" 1
1411 1 40 ILE MG 1 42 TYR H . . 4.310 2.327 2.285 2.371 . 0 0 "[ . 1 . 2]" 1
1412 1 40 ILE MG 1 42 TYR HA . . 5.430 3.598 3.446 3.720 . 0 0 "[ . 1 . 2]" 1
1413 1 40 ILE MG 1 42 TYR HB2 . . 5.860 4.899 4.805 4.960 . 0 0 "[ . 1 . 2]" 1
1414 1 40 ILE MG 1 42 TYR QD . . 5.860 5.221 5.117 5.288 . 0 0 "[ . 1 . 2]" 1
1415 1 40 ILE MG 1 43 VAL H . . 5.430 4.426 4.282 4.535 . 0 0 "[ . 1 . 2]" 1
1416 1 40 ILE MG 1 43 VAL HA . . 5.640 4.247 4.132 4.383 . 0 0 "[ . 1 . 2]" 1
1417 1 40 ILE MG 1 43 VAL HB . . 5.410 4.373 4.245 4.456 . 0 0 "[ . 1 . 2]" 1
1418 1 40 ILE MG 1 43 VAL QG . . 4.220 2.101 2.043 2.157 . 0 0 "[ . 1 . 2]" 1
1419 1 40 ILE MG 1 54 VAL HA . . 5.590 4.121 4.061 4.160 . 0 0 "[ . 1 . 2]" 1
1420 1 40 ILE MG 1 54 VAL HB . . 5.780 4.878 4.730 4.966 . 0 0 "[ . 1 . 2]" 1
1421 1 40 ILE MG 1 54 VAL QG . . 4.140 2.228 2.143 2.298 . 0 0 "[ . 1 . 2]" 1
1422 1 40 ILE MG 1 55 GLU H . . 5.120 3.107 2.999 3.228 . 0 0 "[ . 1 . 2]" 1
1423 1 40 ILE MG 1 56 PHE H . . 5.690 5.084 4.883 5.154 . 0 0 "[ . 1 . 2]" 1
1424 1 40 ILE MG 1 56 PHE QD . . 5.610 4.534 4.409 4.575 . 0 0 "[ . 1 . 2]" 1
1425 1 40 ILE MG 1 57 GLU H . . 5.560 5.000 4.853 5.135 . 0 0 "[ . 1 . 2]" 1
1426 1 40 ILE MG 1 91 ILE MD . . 5.640 4.983 4.849 5.139 . 0 0 "[ . 1 . 2]" 1
1427 1 41 SER H 1 42 TYR H . . 4.360 2.160 2.103 2.199 . 0 0 "[ . 1 . 2]" 1
1428 1 41 SER H 1 42 TYR HB2 . . 5.590 5.007 4.901 5.162 . 0 0 "[ . 1 . 2]" 1
1429 1 41 SER H 1 42 TYR HB3 . . 5.670 4.906 4.835 4.989 . 0 0 "[ . 1 . 2]" 1
1430 1 41 SER H 1 43 VAL QG . . 5.770 4.624 4.531 4.768 . 0 0 "[ . 1 . 2]" 1
1431 1 41 SER H 1 54 VAL HA . . 6.000 6.022 5.993 6.055 0.055 10 0 "[ . 1 . 2]" 1
1432 1 41 SER H 1 54 VAL QG . . 5.260 4.066 3.952 4.197 . 0 0 "[ . 1 . 2]" 1
1433 1 41 SER H 1 55 GLU HA . . 5.730 4.931 4.901 4.984 . 0 0 "[ . 1 . 2]" 1
1434 1 41 SER H 1 56 PHE H . . 5.480 4.461 4.404 4.524 . 0 0 "[ . 1 . 2]" 1
1435 1 41 SER H 1 56 PHE HA . . 4.370 2.547 2.469 2.646 . 0 0 "[ . 1 . 2]" 1
1436 1 41 SER H 1 56 PHE HB3 . . 5.850 5.025 4.941 5.125 . 0 0 "[ . 1 . 2]" 1
1437 1 41 SER H 1 56 PHE QD . . 5.690 4.816 4.758 4.895 . 0 0 "[ . 1 . 2]" 1
1438 1 41 SER H 1 57 GLU H . . 4.860 3.700 3.589 3.880 . 0 0 "[ . 1 . 2]" 1
1439 1 41 SER H 1 57 GLU HA . . 5.520 4.889 4.736 5.049 . 0 0 "[ . 1 . 2]" 1
1440 1 41 SER H 1 57 GLU HB2 . . 6.000 5.675 5.539 5.844 . 0 0 "[ . 1 . 2]" 1
1441 1 41 SER H 1 57 GLU HG2 . . 5.600 4.402 4.233 4.523 . 0 0 "[ . 1 . 2]" 1
1442 1 41 SER H 1 57 GLU HG3 . . 5.640 3.688 3.584 3.805 . 0 0 "[ . 1 . 2]" 1
1443 1 41 SER HA 1 57 GLU HA . . 5.750 4.825 4.618 5.109 . 0 0 "[ . 1 . 2]" 1
1444 1 41 SER HA 1 57 GLU HG2 . . 5.130 3.089 2.894 3.357 . 0 0 "[ . 1 . 2]" 1
1445 1 41 SER HA 1 57 GLU HG3 . . 5.330 3.197 3.004 3.404 . 0 0 "[ . 1 . 2]" 1
1446 1 41 SER HB2 1 42 TYR H . . 5.060 4.024 3.991 4.048 . 0 0 "[ . 1 . 2]" 1
1447 1 41 SER HB2 1 55 GLU H . . 6.000 6.040 5.999 6.074 0.074 13 0 "[ . 1 . 2]" 1
1448 1 41 SER HB2 1 55 GLU HA . . 6.000 6.071 6.052 6.101 0.101 12 0 "[ . 1 . 2]" 1
1449 1 41 SER HB3 1 42 TYR H . . 5.060 2.793 2.770 2.838 . 0 0 "[ . 1 . 2]" 1
1450 1 41 SER HB3 1 55 GLU H . . 5.860 4.586 4.483 4.679 . 0 0 "[ . 1 . 2]" 1
1451 1 41 SER HB3 1 55 GLU HA . . 5.860 4.865 4.784 4.988 . 0 0 "[ . 1 . 2]" 1
1452 1 41 SER QB 1 42 TYR H . . 4.710 2.744 2.724 2.781 . 0 0 "[ . 1 . 2]" 1
1453 1 41 SER QB 1 42 TYR HA . . 5.530 4.714 4.672 4.756 . 0 0 "[ . 1 . 2]" 1
1454 1 41 SER QB 1 42 TYR HB2 . . 5.120 3.723 3.573 3.952 . 0 0 "[ . 1 . 2]" 1
1455 1 41 SER QB 1 42 TYR HB3 . . 5.480 3.899 3.840 3.985 . 0 0 "[ . 1 . 2]" 1
1456 1 41 SER QB 1 42 TYR QD . . 5.550 5.304 5.211 5.405 . 0 0 "[ . 1 . 2]" 1
1457 1 41 SER QB 1 55 GLU QG . . 4.630 2.272 2.020 2.537 . 0 0 "[ . 1 . 2]" 1
1458 1 41 SER QB 1 57 GLU H . . 5.070 3.285 3.188 3.419 . 0 0 "[ . 1 . 2]" 1
1459 1 41 SER QB 1 57 GLU HA . . 4.570 2.636 2.504 2.856 . 0 0 "[ . 1 . 2]" 1
1460 1 41 SER QB 1 57 GLU HB2 . . 5.570 4.362 4.272 4.481 . 0 0 "[ . 1 . 2]" 1
1461 1 41 SER QB 1 57 GLU HB3 . . 5.570 4.213 4.141 4.330 . 0 0 "[ . 1 . 2]" 1
1462 1 41 SER QB 1 57 GLU HG2 . . 5.030 2.248 2.198 2.341 . 0 0 "[ . 1 . 2]" 1
1463 1 41 SER QB 1 57 GLU HG3 . . 5.100 2.751 2.613 2.914 . 0 0 "[ . 1 . 2]" 1
1464 1 42 TYR H 1 42 TYR QD . . 5.490 4.508 4.494 4.519 . 0 0 "[ . 1 . 2]" 1
1465 1 42 TYR H 1 43 VAL H . . 5.460 4.322 4.288 4.380 . 0 0 "[ . 1 . 2]" 1
1466 1 42 TYR H 1 43 VAL HA . . 5.710 4.717 4.661 4.794 . 0 0 "[ . 1 . 2]" 1
1467 1 42 TYR H 1 43 VAL QG . . 5.170 3.539 3.454 3.650 . 0 0 "[ . 1 . 2]" 1
1468 1 42 TYR H 1 54 VAL HA . . 5.480 4.777 4.719 4.819 . 0 0 "[ . 1 . 2]" 1
1469 1 42 TYR H 1 54 VAL QG . . 5.070 3.777 3.643 3.893 . 0 0 "[ . 1 . 2]" 1
1470 1 42 TYR H 1 55 GLU H . . 4.950 2.985 2.951 3.016 . 0 0 "[ . 1 . 2]" 1
1471 1 42 TYR H 1 55 GLU HA . . 5.590 4.947 4.894 4.980 . 0 0 "[ . 1 . 2]" 1
1472 1 42 TYR H 1 55 GLU QG . . 5.720 3.988 3.659 4.276 . 0 0 "[ . 1 . 2]" 1
1473 1 42 TYR H 1 56 PHE H . . 5.720 5.375 5.318 5.446 . 0 0 "[ . 1 . 2]" 1
1474 1 42 TYR H 1 57 GLU H . . 6.000 5.813 5.721 5.960 . 0 0 "[ . 1 . 2]" 1
1475 1 42 TYR H 1 91 ILE MD . . 5.620 4.537 4.359 4.735 . 0 0 "[ . 1 . 2]" 1
1476 1 42 TYR HA 1 42 TYR QE . . 5.590 4.522 4.487 4.563 . 0 0 "[ . 1 . 2]" 1
1477 1 42 TYR HA 1 43 VAL H . . 4.040 2.368 2.318 2.403 . 0 0 "[ . 1 . 2]" 1
1478 1 42 TYR HA 1 43 VAL HB . . 5.860 5.173 4.355 5.726 . 0 0 "[ . 1 . 2]" 1
1479 1 42 TYR HA 1 43 VAL QG . . 5.340 3.290 3.183 3.447 . 0 0 "[ . 1 . 2]" 1
1480 1 42 TYR HA 1 55 GLU QB . . 5.490 4.792 4.631 4.954 . 0 0 "[ . 1 . 2]" 1
1481 1 42 TYR HA 1 91 ILE MD . . 5.750 5.135 4.888 5.388 . 0 0 "[ . 1 . 2]" 1
1482 1 42 TYR HB2 1 43 VAL H . . 5.350 4.016 3.878 4.113 . 0 0 "[ . 1 . 2]" 1
1483 1 42 TYR HB2 1 55 GLU H . . 5.340 5.119 4.958 5.274 . 0 0 "[ . 1 . 2]" 1
1484 1 42 TYR HB2 1 55 GLU QB . . 5.750 3.690 3.499 3.928 . 0 0 "[ . 1 . 2]" 1
1485 1 42 TYR HB2 1 91 ILE HB . . 5.360 4.659 4.420 4.896 . 0 0 "[ . 1 . 2]" 1
1486 1 42 TYR HB2 1 91 ILE MD . . 5.090 4.528 4.302 4.850 . 0 0 "[ . 1 . 2]" 1
1487 1 42 TYR HB2 1 91 ILE MG . . 5.520 5.091 4.952 5.191 . 0 0 "[ . 1 . 2]" 1
1488 1 42 TYR HB2 1 93 ARG QG . . 5.820 4.516 3.131 5.842 0.022 12 0 "[ . 1 . 2]" 1
1489 1 42 TYR HB3 1 43 VAL H . . 4.920 3.611 3.552 3.708 . 0 0 "[ . 1 . 2]" 1
1490 1 42 TYR HB3 1 43 VAL QG . . 5.820 4.523 4.427 4.683 . 0 0 "[ . 1 . 2]" 1
1491 1 42 TYR HB3 1 44 VAL H . . 6.000 6.079 6.043 6.135 0.135 18 0 "[ . 1 . 2]" 1
1492 1 42 TYR HB3 1 54 VAL HA . . 5.140 4.918 4.801 5.060 . 0 0 "[ . 1 . 2]" 1
1493 1 42 TYR HB3 1 55 GLU H . . 5.230 3.721 3.581 3.883 . 0 0 "[ . 1 . 2]" 1
1494 1 42 TYR HB3 1 55 GLU QB . . 4.860 2.447 2.207 2.633 . 0 0 "[ . 1 . 2]" 1
1495 1 42 TYR HB3 1 91 ILE H . . 5.860 5.014 4.689 5.630 . 0 0 "[ . 1 . 2]" 1
1496 1 42 TYR HB3 1 91 ILE HB . . 5.580 3.434 3.200 3.751 . 0 0 "[ . 1 . 2]" 1
1497 1 42 TYR HB3 1 91 ILE MD . . 5.140 2.954 2.713 3.281 . 0 0 "[ . 1 . 2]" 1
1498 1 42 TYR HB3 1 91 ILE MG . . 5.440 4.030 3.835 4.205 . 0 0 "[ . 1 . 2]" 1
1499 1 42 TYR QD 1 43 VAL H . . 4.630 3.079 2.863 3.201 . 0 0 "[ . 1 . 2]" 1
1500 1 42 TYR QD 1 43 VAL HA . . 5.240 3.825 3.587 4.138 . 0 0 "[ . 1 . 2]" 1
1501 1 42 TYR QD 1 43 VAL HB . . 5.770 5.509 5.039 5.788 0.018 18 0 "[ . 1 . 2]" 1
1502 1 42 TYR QD 1 44 VAL H . . 5.370 4.669 4.573 4.787 . 0 0 "[ . 1 . 2]" 1
1503 1 42 TYR QD 1 44 VAL HA . . 5.770 5.375 5.174 5.555 . 0 0 "[ . 1 . 2]" 1
1504 1 42 TYR QD 1 44 VAL HB . . 5.630 3.576 3.329 3.776 . 0 0 "[ . 1 . 2]" 1
1505 1 42 TYR QD 1 44 VAL MG2 . . 5.220 4.868 4.643 5.011 . 0 0 "[ . 1 . 2]" 1
1506 1 42 TYR QD 1 54 VAL MG1 . . 5.860 5.771 5.617 5.866 0.006 9 0 "[ . 1 . 2]" 1
1507 1 42 TYR QD 1 54 VAL MG2 . . 5.860 5.841 5.752 5.883 0.023 13 0 "[ . 1 . 2]" 1
1508 1 42 TYR QD 1 55 GLU H . . 5.380 4.633 4.475 4.773 . 0 0 "[ . 1 . 2]" 1
1509 1 42 TYR QD 1 55 GLU QB . . 5.790 3.749 3.527 3.989 . 0 0 "[ . 1 . 2]" 1
1510 1 42 TYR QD 1 91 ILE H . . 5.700 4.999 4.763 5.713 0.013 15 0 "[ . 1 . 2]" 1
1511 1 42 TYR QD 1 91 ILE HB . . 4.830 2.683 2.431 3.340 . 0 0 "[ . 1 . 2]" 1
1512 1 42 TYR QD 1 91 ILE MD . . 4.720 2.435 2.143 2.862 . 0 0 "[ . 1 . 2]" 1
1513 1 42 TYR QD 1 91 ILE MG . . 4.400 2.214 2.115 2.354 . 0 0 "[ . 1 . 2]" 1
1514 1 42 TYR QD 1 93 ARG QD . . 5.800 3.092 2.617 4.230 . 0 0 "[ . 1 . 2]" 1
1515 1 42 TYR QD 1 93 ARG QG . . 5.190 4.162 2.607 5.212 0.022 12 0 "[ . 1 . 2]" 1
1516 1 42 TYR QE 1 43 VAL H . . 5.070 3.930 3.676 4.083 . 0 0 "[ . 1 . 2]" 1
1517 1 42 TYR QE 1 43 VAL HA . . 5.730 5.069 4.814 5.209 . 0 0 "[ . 1 . 2]" 1
1518 1 42 TYR QE 1 43 VAL QG . . 5.770 4.849 4.608 5.148 . 0 0 "[ . 1 . 2]" 1
1519 1 42 TYR QE 1 44 VAL H . . 5.510 5.036 4.830 5.294 . 0 0 "[ . 1 . 2]" 1
1520 1 42 TYR QE 1 44 VAL HA . . 5.130 4.462 4.223 4.635 . 0 0 "[ . 1 . 2]" 1
1521 1 42 TYR QE 1 44 VAL HB . . 5.420 2.371 2.219 2.627 . 0 0 "[ . 1 . 2]" 1
1522 1 42 TYR QE 1 44 VAL MG1 . . 5.350 3.456 3.041 3.814 . 0 0 "[ . 1 . 2]" 1
1523 1 42 TYR QE 1 44 VAL MG2 . . 5.030 3.370 3.171 3.552 . 0 0 "[ . 1 . 2]" 1
1524 1 42 TYR QE 1 91 ILE HB . . 5.520 4.079 3.797 4.762 . 0 0 "[ . 1 . 2]" 1
1525 1 42 TYR QE 1 91 ILE MD . . 5.290 3.870 3.504 4.295 . 0 0 "[ . 1 . 2]" 1
1526 1 42 TYR QE 1 91 ILE MG . . 4.340 2.316 2.106 2.778 . 0 0 "[ . 1 . 2]" 1
1527 1 42 TYR QE 1 92 SER QB . . 5.840 5.239 4.964 5.714 . 0 0 "[ . 1 . 2]" 1
1528 1 42 TYR QE 1 93 ARG HD2 . . 5.610 4.153 3.425 5.700 0.090 18 0 "[ . 1 . 2]" 1
1529 1 42 TYR QE 1 93 ARG HD3 . . 5.610 4.142 3.440 5.662 0.052 15 0 "[ . 1 . 2]" 1
1530 1 42 TYR QE 1 93 ARG QB . . 5.210 3.816 2.791 4.606 . 0 0 "[ . 1 . 2]" 1
1531 1 42 TYR QE 1 93 ARG QD . . 5.310 3.638 3.136 4.633 . 0 0 "[ . 1 . 2]" 1
1532 1 42 TYR QE 1 93 ARG QG . . 4.990 4.324 2.981 5.063 0.073 20 0 "[ . 1 . 2]" 1
1533 1 42 TYR QE 1 94 PRO HD2 . . 5.510 3.476 2.881 4.447 . 0 0 "[ . 1 . 2]" 1
1534 1 42 TYR QE 1 94 PRO QG . . 5.810 3.941 2.836 5.394 . 0 0 "[ . 1 . 2]" 1
1535 1 43 VAL H 1 44 VAL H . . 5.100 4.378 4.314 4.428 . 0 0 "[ . 1 . 2]" 1
1536 1 43 VAL H 1 44 VAL HA . . 5.450 4.910 4.848 4.955 . 0 0 "[ . 1 . 2]" 1
1537 1 43 VAL H 1 54 VAL HA . . 5.540 4.938 4.892 4.980 . 0 0 "[ . 1 . 2]" 1
1538 1 43 VAL H 1 54 VAL QG . . 5.840 4.633 4.484 4.716 . 0 0 "[ . 1 . 2]" 1
1539 1 43 VAL H 1 55 GLU H . . 5.520 4.986 4.893 5.070 . 0 0 "[ . 1 . 2]" 1
1540 1 43 VAL H 1 91 ILE MG . . 5.650 4.909 4.659 5.178 . 0 0 "[ . 1 . 2]" 1
1541 1 43 VAL HA 1 44 VAL H . . 4.140 2.259 2.211 2.296 . 0 0 "[ . 1 . 2]" 1
1542 1 43 VAL HA 1 44 VAL HA . . 5.520 4.476 4.463 4.489 . 0 0 "[ . 1 . 2]" 1
1543 1 43 VAL HA 1 44 VAL HB . . 5.690 4.325 4.204 4.430 . 0 0 "[ . 1 . 2]" 1
1544 1 43 VAL HA 1 52 ALA MB . . 5.860 5.654 5.488 5.793 . 0 0 "[ . 1 . 2]" 1
1545 1 43 VAL HA 1 53 LEU H . . 5.600 5.087 5.046 5.146 . 0 0 "[ . 1 . 2]" 1
1546 1 43 VAL HA 1 53 LEU HA . . 5.860 5.876 5.762 5.928 0.068 3 0 "[ . 1 . 2]" 1
1547 1 43 VAL HA 1 53 LEU HB2 . . 5.860 5.278 4.741 5.503 . 0 0 "[ . 1 . 2]" 1
1548 1 43 VAL HA 1 54 VAL HA . . 4.780 2.325 2.251 2.457 . 0 0 "[ . 1 . 2]" 1
1549 1 43 VAL HA 1 54 VAL HB . . 5.650 5.080 4.986 5.193 . 0 0 "[ . 1 . 2]" 1
1550 1 43 VAL HA 1 54 VAL MG1 . . 5.270 3.580 3.437 3.795 . 0 0 "[ . 1 . 2]" 1
1551 1 43 VAL HA 1 54 VAL MG2 . . 5.270 2.802 2.680 3.010 . 0 0 "[ . 1 . 2]" 1
1552 1 43 VAL HA 1 55 GLU H . . 5.310 3.512 3.360 3.711 . 0 0 "[ . 1 . 2]" 1
1553 1 43 VAL HA 1 91 ILE MD . . 5.170 3.310 2.967 3.671 . 0 0 "[ . 1 . 2]" 1
1554 1 43 VAL HB 1 44 VAL H . . 5.490 3.276 2.705 4.105 . 0 0 "[ . 1 . 2]" 1
1555 1 43 VAL HB 1 54 VAL QG . . 5.840 2.961 2.154 4.091 . 0 0 "[ . 1 . 2]" 1
1556 1 43 VAL QG 1 44 VAL H . . 5.170 2.868 2.338 3.217 . 0 0 "[ . 1 . 2]" 1
1557 1 43 VAL QG 1 54 VAL HA . . 4.970 2.985 2.840 3.101 . 0 0 "[ . 1 . 2]" 1
1558 1 43 VAL QG 1 54 VAL QG . . 4.820 1.902 1.786 2.004 . 0 0 "[ . 1 . 2]" 1
1559 1 43 VAL QG 1 55 GLU H . . 5.400 3.432 3.191 3.637 . 0 0 "[ . 1 . 2]" 1
1560 1 43 VAL QG 1 56 PHE QE . . 5.860 5.638 5.541 5.808 . 0 0 "[ . 1 . 2]" 1
1561 1 44 VAL H 1 45 VAL HA . . 5.840 4.738 4.664 4.780 . 0 0 "[ . 1 . 2]" 1
1562 1 44 VAL H 1 52 ALA MB . . 5.550 4.165 4.028 4.303 . 0 0 "[ . 1 . 2]" 1
1563 1 44 VAL H 1 53 LEU HA . . 5.680 5.014 4.967 5.059 . 0 0 "[ . 1 . 2]" 1
1564 1 44 VAL H 1 53 LEU HB2 . . 5.170 3.983 3.574 4.097 . 0 0 "[ . 1 . 2]" 1
1565 1 44 VAL H 1 55 GLU H . . 6.000 5.359 5.248 5.516 . 0 0 "[ . 1 . 2]" 1
1566 1 44 VAL H 1 91 ILE MD . . 4.720 3.591 3.310 3.922 . 0 0 "[ . 1 . 2]" 1
1567 1 44 VAL H 1 91 ILE MG . . 5.660 4.434 4.242 4.831 . 0 0 "[ . 1 . 2]" 1
1568 1 44 VAL HA 1 45 VAL H . . 4.030 2.363 2.318 2.405 . 0 0 "[ . 1 . 2]" 1
1569 1 44 VAL HA 1 45 VAL HA . . 5.520 4.449 4.393 4.471 . 0 0 "[ . 1 . 2]" 1
1570 1 44 VAL HA 1 45 VAL HB . . 5.660 4.224 3.927 4.815 . 0 0 "[ . 1 . 2]" 1
1571 1 44 VAL HA 1 45 VAL QG . . 5.030 3.538 2.928 3.773 . 0 0 "[ . 1 . 2]" 1
1572 1 44 VAL HA 1 52 ALA MB . . 5.860 5.286 5.185 5.455 . 0 0 "[ . 1 . 2]" 1
1573 1 44 VAL HA 1 53 LEU H . . 5.630 4.876 4.804 4.924 . 0 0 "[ . 1 . 2]" 1
1574 1 44 VAL HB 1 53 LEU H . . 5.340 5.144 5.034 5.318 . 0 0 "[ . 1 . 2]" 1
1575 1 44 VAL HB 1 53 LEU HB2 . . 5.590 4.569 4.452 4.647 . 0 0 "[ . 1 . 2]" 1
1576 1 44 VAL HB 1 53 LEU HB3 . . 6.000 5.660 5.344 6.050 0.050 10 0 "[ . 1 . 2]" 1
1577 1 44 VAL HB 1 91 ILE HB . . 5.800 5.308 5.085 5.806 0.006 7 0 "[ . 1 . 2]" 1
1578 1 44 VAL HB 1 91 ILE MD . . 4.970 3.654 3.285 3.978 . 0 0 "[ . 1 . 2]" 1
1579 1 44 VAL HB 1 91 ILE MG . . 5.060 2.852 2.585 3.325 . 0 0 "[ . 1 . 2]" 1
1580 1 44 VAL MG1 1 45 VAL H . . 4.680 3.400 3.297 3.482 . 0 0 "[ . 1 . 2]" 1
1581 1 44 VAL MG1 1 45 VAL HB . . 5.860 5.107 4.977 5.673 . 0 0 "[ . 1 . 2]" 1
1582 1 44 VAL MG1 1 45 VAL QG . . 5.550 4.396 4.093 4.497 . 0 0 "[ . 1 . 2]" 1
1583 1 44 VAL MG1 1 46 MET HG2 . . 5.570 4.328 4.231 4.501 . 0 0 "[ . 1 . 2]" 1
1584 1 44 VAL MG1 1 46 MET QB . . 5.800 4.712 4.462 4.865 . 0 0 "[ . 1 . 2]" 1
1585 1 44 VAL MG1 1 46 MET ME . . 5.230 4.301 3.897 4.447 . 0 0 "[ . 1 . 2]" 1
1586 1 44 VAL MG1 1 52 ALA MB . . 5.730 4.301 4.184 4.470 . 0 0 "[ . 1 . 2]" 1
1587 1 44 VAL MG1 1 53 LEU H . . 4.810 2.682 2.514 2.857 . 0 0 "[ . 1 . 2]" 1
1588 1 44 VAL MG1 1 53 LEU QD . . 4.380 2.677 2.285 3.130 . 0 0 "[ . 1 . 2]" 1
1589 1 44 VAL MG2 1 45 VAL H . . 5.100 2.032 1.964 2.093 . 0 0 "[ . 1 . 2]" 1
1590 1 44 VAL MG2 1 46 MET HG2 . . 5.540 4.826 4.518 5.154 . 0 0 "[ . 1 . 2]" 1
1591 1 44 VAL MG2 1 53 LEU HB2 . . 5.380 4.382 4.211 4.478 . 0 0 "[ . 1 . 2]" 1
1592 1 44 VAL MG2 1 91 ILE MD . . 5.380 4.488 4.286 4.734 . 0 0 "[ . 1 . 2]" 1
1593 1 44 VAL MG2 1 91 ILE MG . . 4.590 3.453 3.288 3.753 . 0 0 "[ . 1 . 2]" 1
1594 1 45 VAL H 1 46 MET H . . 5.400 4.419 4.398 4.490 . 0 0 "[ . 1 . 2]" 1
1595 1 45 VAL H 1 47 PRO HD3 . . 5.860 5.200 4.766 5.434 . 0 0 "[ . 1 . 2]" 1
1596 1 45 VAL H 1 52 ALA HA . . 5.770 4.914 4.826 5.111 . 0 0 "[ . 1 . 2]" 1
1597 1 45 VAL H 1 52 ALA MB . . 5.510 4.838 4.719 5.012 . 0 0 "[ . 1 . 2]" 1
1598 1 45 VAL H 1 53 LEU H . . 5.690 4.798 4.759 4.881 . 0 0 "[ . 1 . 2]" 1
1599 1 45 VAL HA 1 46 MET H . . 4.280 2.195 2.179 2.213 . 0 0 "[ . 1 . 2]" 1
1600 1 45 VAL HA 1 46 MET HG2 . . 5.700 3.792 3.671 3.948 . 0 0 "[ . 1 . 2]" 1
1601 1 45 VAL HA 1 46 MET HG3 . . 5.510 4.414 4.301 4.666 . 0 0 "[ . 1 . 2]" 1
1602 1 45 VAL HA 1 47 PRO HD3 . . 5.740 4.507 4.183 4.760 . 0 0 "[ . 1 . 2]" 1
1603 1 45 VAL HA 1 52 ALA HA . . 4.760 2.255 2.141 2.500 . 0 0 "[ . 1 . 2]" 1
1604 1 45 VAL HA 1 52 ALA MB . . 4.690 2.685 2.597 2.821 . 0 0 "[ . 1 . 2]" 1
1605 1 45 VAL HA 1 53 LEU H . . 5.120 3.285 3.207 3.378 . 0 0 "[ . 1 . 2]" 1
1606 1 45 VAL HB 1 46 MET H . . 5.520 4.086 3.790 4.185 . 0 0 "[ . 1 . 2]" 1
1607 1 45 VAL HB 1 47 PRO HD3 . . 5.750 4.491 2.752 4.987 . 0 0 "[ . 1 . 2]" 1
1608 1 45 VAL HB 1 52 ALA HA . . 5.860 4.465 4.190 5.406 . 0 0 "[ . 1 . 2]" 1
1609 1 45 VAL HB 1 52 ALA MB . . 5.490 3.413 3.022 4.557 . 0 0 "[ . 1 . 2]" 1
1610 1 45 VAL QG 1 46 MET H . . 4.520 2.323 2.256 2.366 . 0 0 "[ . 1 . 2]" 1
1611 1 45 VAL QG 1 46 MET HG3 . . 5.550 4.189 4.101 4.326 . 0 0 "[ . 1 . 2]" 1
1612 1 45 VAL QG 1 47 PRO HA . . 5.380 3.652 3.401 3.843 . 0 0 "[ . 1 . 2]" 1
1613 1 45 VAL QG 1 47 PRO HB3 . . 5.230 3.484 3.165 4.109 . 0 0 "[ . 1 . 2]" 1
1614 1 45 VAL QG 1 47 PRO HD2 . . 5.160 3.239 2.910 3.656 . 0 0 "[ . 1 . 2]" 1
1615 1 45 VAL QG 1 47 PRO HD3 . . 4.900 2.067 1.948 2.241 . 0 0 "[ . 1 . 2]" 1
1616 1 45 VAL QG 1 47 PRO QG . . 5.070 3.250 2.253 3.763 . 0 0 "[ . 1 . 2]" 1
1617 1 45 VAL QG 1 51 GLN H . . 5.840 4.178 4.034 4.409 . 0 0 "[ . 1 . 2]" 1
1618 1 45 VAL QG 1 52 ALA HA . . 5.400 3.194 3.074 3.286 . 0 0 "[ . 1 . 2]" 1
1619 1 45 VAL QG 1 52 ALA MB . . 5.380 2.089 2.033 2.129 . 0 0 "[ . 1 . 2]" 1
1620 1 45 VAL QG 1 77 ALA MB . . 5.840 5.763 5.478 5.874 0.034 8 0 "[ . 1 . 2]" 1
1621 1 46 MET H 1 46 MET HG2 . . 5.010 2.643 2.462 2.843 . 0 0 "[ . 1 . 2]" 1
1622 1 46 MET H 1 46 MET HG3 . . 4.920 2.531 2.430 2.724 . 0 0 "[ . 1 . 2]" 1
1623 1 46 MET H 1 46 MET ME . . 6.000 4.285 4.194 4.413 . 0 0 "[ . 1 . 2]" 1
1624 1 46 MET H 1 47 PRO HA . . 5.630 4.461 4.329 4.562 . 0 0 "[ . 1 . 2]" 1
1625 1 46 MET H 1 47 PRO HD2 . . 5.660 4.220 4.037 4.599 . 0 0 "[ . 1 . 2]" 1
1626 1 46 MET H 1 47 PRO HD3 . . 5.260 3.498 3.156 3.715 . 0 0 "[ . 1 . 2]" 1
1627 1 46 MET H 1 51 GLN H . . 5.260 3.675 3.576 3.935 . 0 0 "[ . 1 . 2]" 1
1628 1 46 MET H 1 51 GLN HA . . 5.860 5.102 4.999 5.275 . 0 0 "[ . 1 . 2]" 1
1629 1 46 MET H 1 52 ALA HA . . 4.520 2.775 2.701 2.874 . 0 0 "[ . 1 . 2]" 1
1630 1 46 MET H 1 52 ALA MB . . 4.760 3.437 3.317 3.530 . 0 0 "[ . 1 . 2]" 1
1631 1 46 MET H 1 53 LEU H . . 6.000 4.751 4.649 4.852 . 0 0 "[ . 1 . 2]" 1
1632 1 46 MET HG2 1 52 ALA HA . . 5.170 3.175 2.775 3.483 . 0 0 "[ . 1 . 2]" 1
1633 1 46 MET HG2 1 52 ALA MB . . 5.640 4.627 4.295 4.888 . 0 0 "[ . 1 . 2]" 1
1634 1 46 MET HG2 1 53 LEU H . . 5.710 4.669 4.374 4.934 . 0 0 "[ . 1 . 2]" 1
1635 1 46 MET HG2 1 53 LEU QD . . 5.720 3.285 2.834 4.324 . 0 0 "[ . 1 . 2]" 1
1636 1 46 MET HG3 1 47 PRO HA . . 5.820 4.777 4.693 4.842 . 0 0 "[ . 1 . 2]" 1
1637 1 46 MET HG3 1 47 PRO HD3 . . 5.760 5.198 4.885 5.328 . 0 0 "[ . 1 . 2]" 1
1638 1 46 MET HG3 1 48 LYS QD . . 6.000 5.801 4.162 6.152 0.152 5 0 "[ . 1 . 2]" 1
1639 1 46 MET HG3 1 51 GLN H . . 5.070 2.669 2.500 2.976 . 0 0 "[ . 1 . 2]" 1
1640 1 46 MET HG3 1 51 GLN HA . . 5.660 4.340 4.181 4.465 . 0 0 "[ . 1 . 2]" 1
1641 1 46 MET HG3 1 51 GLN HE21 . . 5.750 4.361 3.496 5.948 0.198 8 0 "[ . 1 . 2]" 1
1642 1 46 MET HG3 1 52 ALA HA . . 5.410 3.767 3.572 3.871 . 0 0 "[ . 1 . 2]" 1
1643 1 46 MET HG3 1 53 LEU H . . 5.810 5.807 5.587 5.902 0.092 6 0 "[ . 1 . 2]" 1
1644 1 46 MET QB 1 47 PRO HD2 . . 5.570 3.822 3.689 4.199 . 0 0 "[ . 1 . 2]" 1
1645 1 46 MET QB 1 47 PRO HD3 . . 5.800 4.439 4.041 4.546 . 0 0 "[ . 1 . 2]" 1
1646 1 46 MET QB 1 48 LYS QD . . 4.640 3.391 2.207 4.030 . 0 0 "[ . 1 . 2]" 1
1647 1 46 MET QB 1 52 ALA HA . . 5.800 4.748 4.476 4.864 . 0 0 "[ . 1 . 2]" 1
1648 1 46 MET ME 1 49 LYS H . . 5.830 5.265 4.949 5.623 . 0 0 "[ . 1 . 2]" 1
1649 1 46 MET ME 1 49 LYS QD . . 5.450 3.517 3.163 4.305 . 0 0 "[ . 1 . 2]" 1
1650 1 46 MET ME 1 51 GLN HA . . 5.800 4.361 4.201 4.564 . 0 0 "[ . 1 . 2]" 1
1651 1 46 MET ME 1 51 GLN HB2 . . 4.870 2.258 2.132 2.806 . 0 0 "[ . 1 . 2]" 1
1652 1 46 MET ME 1 51 GLN HB3 . . 5.040 2.314 2.137 2.552 . 0 0 "[ . 1 . 2]" 1
1653 1 46 MET ME 1 51 GLN HE22 . . 5.410 3.457 2.693 4.710 . 0 0 "[ . 1 . 2]" 1
1654 1 46 MET ME 1 52 ALA H . . 5.400 3.603 3.360 3.878 . 0 0 "[ . 1 . 2]" 1
1655 1 46 MET ME 1 52 ALA HA . . 5.170 3.769 3.438 4.128 . 0 0 "[ . 1 . 2]" 1
1656 1 46 MET ME 1 53 LEU H . . 5.610 4.632 4.104 5.087 . 0 0 "[ . 1 . 2]" 1
1657 1 46 MET ME 1 53 LEU HA . . 5.860 5.113 4.444 5.589 . 0 0 "[ . 1 . 2]" 1
1658 1 46 MET ME 1 53 LEU QD . . 5.290 2.031 1.902 2.685 . 0 0 "[ . 1 . 2]" 1
1659 1 47 PRO HA 1 49 LYS H . . 5.340 3.768 3.660 3.876 . 0 0 "[ . 1 . 2]" 1
1660 1 47 PRO HA 1 50 ARG H . . 5.380 2.741 2.649 2.910 . 0 0 "[ . 1 . 2]" 1
1661 1 47 PRO HA 1 50 ARG HA . . 4.950 2.630 2.452 2.969 . 0 0 "[ . 1 . 2]" 1
1662 1 47 PRO HA 1 50 ARG HG3 . . 5.660 5.203 4.216 5.700 0.040 15 0 "[ . 1 . 2]" 1
1663 1 47 PRO HA 1 51 GLN H . . 5.230 3.304 3.074 3.467 . 0 0 "[ . 1 . 2]" 1
1664 1 47 PRO HB2 1 48 LYS HA . . 5.480 4.452 4.038 4.576 . 0 0 "[ . 1 . 2]" 1
1665 1 47 PRO HB2 1 48 LYS QG . . 5.660 4.904 4.430 5.678 0.018 15 0 "[ . 1 . 2]" 1
1666 1 47 PRO HB2 1 50 ARG H . . 5.520 4.699 4.572 4.917 . 0 0 "[ . 1 . 2]" 1
1667 1 47 PRO HB3 1 49 LYS H . . 5.860 5.733 5.458 5.858 . 0 0 "[ . 1 . 2]" 1
1668 1 47 PRO HB3 1 50 ARG HA . . 5.810 4.563 4.396 4.832 . 0 0 "[ . 1 . 2]" 1
1669 1 47 PRO HD2 1 48 LYS H . . 5.860 2.839 2.667 2.922 . 0 0 "[ . 1 . 2]" 1
1670 1 47 PRO HD2 1 48 LYS QD . . 5.340 4.108 2.471 5.230 . 0 0 "[ . 1 . 2]" 1
1671 1 47 PRO HD2 1 48 LYS QG . . 5.730 3.644 3.066 5.210 . 0 0 "[ . 1 . 2]" 1
1672 1 47 PRO HD3 1 51 GLN H . . 5.860 5.391 5.270 5.500 . 0 0 "[ . 1 . 2]" 1
1673 1 47 PRO QG 1 48 LYS H . . 5.630 3.072 2.744 4.205 . 0 0 "[ . 1 . 2]" 1
1674 1 47 PRO QG 1 48 LYS QD . . 5.640 4.555 2.249 5.704 0.064 17 0 "[ . 1 . 2]" 1
1675 1 48 LYS H 1 48 LYS HG2 . . 5.690 3.003 1.821 3.967 . 0 0 "[ . 1 . 2]" 1
1676 1 48 LYS H 1 48 LYS HG3 . . 5.690 2.645 1.909 3.796 . 0 0 "[ . 1 . 2]" 1
1677 1 48 LYS H 1 49 LYS H . . 5.620 2.596 2.556 2.660 . 0 0 "[ . 1 . 2]" 1
1678 1 48 LYS HA 1 48 LYS QE . . 5.640 4.622 4.000 5.491 . 0 0 "[ . 1 . 2]" 1
1679 1 48 LYS HA 1 50 ARG H . . 5.540 4.135 3.892 4.255 . 0 0 "[ . 1 . 2]" 1
1680 1 48 LYS QB 1 49 LYS H . . 4.970 3.061 2.626 3.830 . 0 0 "[ . 1 . 2]" 1
1681 1 48 LYS QD 1 49 LYS H . . 5.380 4.421 2.421 4.881 . 0 0 "[ . 1 . 2]" 1
1682 1 49 LYS H 1 50 ARG H . . 4.790 2.202 2.117 2.317 . 0 0 "[ . 1 . 2]" 1
1683 1 49 LYS H 1 50 ARG HA . . 5.310 4.266 4.176 4.316 . 0 0 "[ . 1 . 2]" 1
1684 1 49 LYS H 1 50 ARG QB . . 5.800 4.707 4.580 4.980 . 0 0 "[ . 1 . 2]" 1
1685 1 49 LYS H 1 50 ARG QD . . 6.000 5.634 4.190 6.040 0.040 4 0 "[ . 1 . 2]" 1
1686 1 49 LYS H 1 51 GLN HE21 . . 5.860 5.122 4.560 5.876 0.016 8 0 "[ . 1 . 2]" 1
1687 1 49 LYS H 1 51 GLN HG3 . . 5.860 5.123 4.788 5.432 . 0 0 "[ . 1 . 2]" 1
1688 1 49 LYS HB2 1 51 GLN H . . 5.360 3.761 3.550 3.946 . 0 0 "[ . 1 . 2]" 1
1689 1 49 LYS HB2 1 51 GLN HG2 . . 5.860 5.163 4.784 5.750 . 0 0 "[ . 1 . 2]" 1
1690 1 49 LYS HB2 1 51 GLN HG3 . . 5.860 3.786 3.248 4.504 . 0 0 "[ . 1 . 2]" 1
1691 1 49 LYS HB3 1 50 ARG H . . 5.670 4.368 4.232 4.433 . 0 0 "[ . 1 . 2]" 1
1692 1 49 LYS HB3 1 51 GLN HE21 . . 5.520 2.808 2.561 3.513 . 0 0 "[ . 1 . 2]" 1
1693 1 49 LYS HB3 1 51 GLN HG2 . . 5.350 4.871 4.588 5.042 . 0 0 "[ . 1 . 2]" 1
1694 1 49 LYS HB3 1 51 GLN HG3 . . 5.770 3.437 3.111 3.728 . 0 0 "[ . 1 . 2]" 1
1695 1 49 LYS QD 1 51 GLN HE21 . . 5.700 3.316 2.675 4.240 . 0 0 "[ . 1 . 2]" 1
1696 1 49 LYS QD 1 51 GLN HE22 . . 5.250 2.930 2.543 3.212 . 0 0 "[ . 1 . 2]" 1
1697 1 49 LYS QD 1 51 GLN HG2 . . 5.860 5.814 5.464 5.947 0.087 11 0 "[ . 1 . 2]" 1
1698 1 50 ARG H 1 50 ARG HD3 . . 5.770 3.839 2.169 4.335 . 0 0 "[ . 1 . 2]" 1
1699 1 50 ARG H 1 50 ARG HG3 . . 5.660 4.650 3.851 4.872 . 0 0 "[ . 1 . 2]" 1
1700 1 50 ARG H 1 51 GLN H . . 4.730 2.814 2.743 2.872 . 0 0 "[ . 1 . 2]" 1
1701 1 50 ARG HA 1 50 ARG HD2 . . 5.060 3.426 2.243 3.734 . 0 0 "[ . 1 . 2]" 1
1702 1 50 ARG HA 1 50 ARG HD3 . . 5.100 2.276 2.010 3.581 . 0 0 "[ . 1 . 2]" 1
1703 1 50 ARG HA 1 51 GLN H . . 4.520 2.654 2.580 2.809 . 0 0 "[ . 1 . 2]" 1
1704 1 50 ARG HD2 1 51 GLN H . . 6.000 5.796 4.618 6.084 0.084 9 0 "[ . 1 . 2]" 1
1705 1 50 ARG HD3 1 51 GLN H . . 6.000 4.703 4.340 5.826 . 0 0 "[ . 1 . 2]" 1
1706 1 50 ARG QB 1 51 GLN HG2 . . 5.600 4.843 4.660 5.047 . 0 0 "[ . 1 . 2]" 1
1707 1 51 GLN H 1 51 GLN HE22 . . 6.000 5.957 5.847 6.085 0.085 8 0 "[ . 1 . 2]" 1
1708 1 51 GLN H 1 51 GLN HG2 . . 5.130 4.348 4.231 4.472 . 0 0 "[ . 1 . 2]" 1
1709 1 51 GLN H 1 52 ALA H . . 5.540 4.442 4.426 4.466 . 0 0 "[ . 1 . 2]" 1
1710 1 51 GLN H 1 52 ALA HA . . 5.670 4.872 4.812 4.931 . 0 0 "[ . 1 . 2]" 1
1711 1 51 GLN H 1 52 ALA MB . . 5.540 4.642 4.581 4.692 . 0 0 "[ . 1 . 2]" 1
1712 1 51 GLN HA 1 52 ALA MB . . 5.490 3.829 3.802 3.864 . 0 0 "[ . 1 . 2]" 1
1713 1 51 GLN HB2 1 51 GLN HE22 . . 5.030 3.742 3.443 4.409 . 0 0 "[ . 1 . 2]" 1
1714 1 51 GLN HB2 1 52 ALA H . . 5.520 3.598 3.538 3.721 . 0 0 "[ . 1 . 2]" 1
1715 1 51 GLN HB3 1 52 ALA H . . 5.530 2.323 2.239 2.441 . 0 0 "[ . 1 . 2]" 1
1716 1 51 GLN HG2 1 52 ALA H . . 5.660 3.900 3.816 4.002 . 0 0 "[ . 1 . 2]" 1
1717 1 51 GLN HG3 1 52 ALA H . . 5.770 4.724 4.620 4.844 . 0 0 "[ . 1 . 2]" 1
1718 1 52 ALA H 1 53 LEU H . . 5.460 4.394 4.379 4.409 . 0 0 "[ . 1 . 2]" 1
1719 1 52 ALA HA 1 53 LEU H . . 4.360 2.363 2.326 2.389 . 0 0 "[ . 1 . 2]" 1
1720 1 52 ALA HA 1 53 LEU HA . . 5.840 4.501 4.484 4.517 . 0 0 "[ . 1 . 2]" 1
1721 1 52 ALA HA 1 53 LEU HB2 . . 5.800 4.451 4.206 4.755 . 0 0 "[ . 1 . 2]" 1
1722 1 52 ALA HA 1 53 LEU QD . . 5.320 3.262 2.690 4.355 . 0 0 "[ . 1 . 2]" 1
1723 1 52 ALA MB 1 53 LEU H . . 4.360 2.565 2.522 2.587 . 0 0 "[ . 1 . 2]" 1
1724 1 52 ALA MB 1 53 LEU HA . . 5.860 4.024 3.978 4.103 . 0 0 "[ . 1 . 2]" 1
1725 1 53 LEU H 1 53 LEU QD . . 4.710 3.002 2.609 3.675 . 0 0 "[ . 1 . 2]" 1
1726 1 53 LEU H 1 54 VAL HA . . 5.670 4.980 4.935 5.055 . 0 0 "[ . 1 . 2]" 1
1727 1 53 LEU H 1 54 VAL HB . . 6.000 5.899 5.743 6.004 0.004 19 0 "[ . 1 . 2]" 1
1728 1 53 LEU HA 1 54 VAL H . . 4.420 2.249 2.200 2.287 . 0 0 "[ . 1 . 2]" 1
1729 1 53 LEU HA 1 54 VAL HA . . 5.770 4.502 4.484 4.518 . 0 0 "[ . 1 . 2]" 1
1730 1 53 LEU HA 1 54 VAL HB . . 5.700 4.309 4.251 4.409 . 0 0 "[ . 1 . 2]" 1
1731 1 53 LEU HA 1 54 VAL MG1 . . 5.850 5.397 5.376 5.429 . 0 0 "[ . 1 . 2]" 1
1732 1 53 LEU HA 1 54 VAL MG2 . . 5.850 3.645 3.548 3.736 . 0 0 "[ . 1 . 2]" 1
1733 1 53 LEU HA 1 54 VAL QG . . 5.380 3.590 3.502 3.673 . 0 0 "[ . 1 . 2]" 1
1734 1 53 LEU HA 1 86 SER QB . . 5.800 4.830 4.655 5.134 . 0 0 "[ . 1 . 2]" 1
1735 1 53 LEU HA 1 91 ILE MD . . 5.230 3.979 3.802 4.222 . 0 0 "[ . 1 . 2]" 1
1736 1 53 LEU HB2 1 54 VAL H . . 5.420 4.000 3.742 4.192 . 0 0 "[ . 1 . 2]" 1
1737 1 53 LEU HB2 1 91 ILE MD . . 5.550 2.837 2.423 3.182 . 0 0 "[ . 1 . 2]" 1
1738 1 53 LEU HB3 1 54 VAL H . . 5.710 2.776 2.616 3.002 . 0 0 "[ . 1 . 2]" 1
1739 1 53 LEU HB3 1 54 VAL QG . . 5.840 4.541 4.488 4.697 . 0 0 "[ . 1 . 2]" 1
1740 1 53 LEU HB3 1 91 ILE MD . . 5.230 2.291 2.073 2.539 . 0 0 "[ . 1 . 2]" 1
1741 1 53 LEU QD 1 86 SER HA . . 5.860 4.045 3.437 4.391 . 0 0 "[ . 1 . 2]" 1
1742 1 53 LEU QD 1 86 SER QB . . 4.820 2.719 2.118 3.128 . 0 0 "[ . 1 . 2]" 1
1743 1 53 LEU QD 1 87 THR MG . . 5.840 4.511 4.116 4.968 . 0 0 "[ . 1 . 2]" 1
1744 1 54 VAL H 1 55 GLU H . . 5.320 4.334 4.301 4.354 . 0 0 "[ . 1 . 2]" 1
1745 1 54 VAL HA 1 55 GLU H . . 4.340 2.243 2.211 2.262 . 0 0 "[ . 1 . 2]" 1
1746 1 54 VAL HA 1 55 GLU QB . . 5.420 3.949 3.911 4.004 . 0 0 "[ . 1 . 2]" 1
1747 1 54 VAL HA 1 91 ILE MD . . 5.130 2.799 2.652 2.981 . 0 0 "[ . 1 . 2]" 1
1748 1 54 VAL HA 1 91 ILE MG . . 5.860 5.023 4.777 5.244 . 0 0 "[ . 1 . 2]" 1
1749 1 54 VAL HB 1 55 GLU H . . 5.560 4.121 4.068 4.228 . 0 0 "[ . 1 . 2]" 1
1750 1 54 VAL HB 1 55 GLU HA . . 5.860 4.936 4.876 5.014 . 0 0 "[ . 1 . 2]" 1
1751 1 54 VAL HB 1 56 PHE QD . . 5.620 4.777 4.594 4.933 . 0 0 "[ . 1 . 2]" 1
1752 1 54 VAL HB 1 56 PHE QE . . 5.740 3.605 3.454 3.902 . 0 0 "[ . 1 . 2]" 1
1753 1 54 VAL HB 1 91 ILE MD . . 5.560 4.653 4.474 4.827 . 0 0 "[ . 1 . 2]" 1
1754 1 54 VAL MG1 1 55 GLU H . . 5.460 2.386 2.328 2.544 . 0 0 "[ . 1 . 2]" 1
1755 1 54 VAL MG1 1 56 PHE HZ . . 5.730 3.550 3.416 3.733 . 0 0 "[ . 1 . 2]" 1
1756 1 54 VAL MG1 1 56 PHE QE . . 5.390 2.743 2.605 2.860 . 0 0 "[ . 1 . 2]" 1
1757 1 54 VAL MG1 1 62 ALA HA . . 5.840 5.154 5.031 5.239 . 0 0 "[ . 1 . 2]" 1
1758 1 54 VAL MG2 1 55 GLU H . . 5.460 3.803 3.758 3.854 . 0 0 "[ . 1 . 2]" 1
1759 1 54 VAL MG2 1 56 PHE HZ . . 5.730 5.279 5.109 5.578 . 0 0 "[ . 1 . 2]" 1
1760 1 54 VAL MG2 1 56 PHE QE . . 5.390 4.610 4.472 4.760 . 0 0 "[ . 1 . 2]" 1
1761 1 54 VAL QG 1 55 GLU H . . 4.590 2.363 2.309 2.509 . 0 0 "[ . 1 . 2]" 1
1762 1 54 VAL QG 1 55 GLU HA . . 5.660 3.530 3.460 3.600 . 0 0 "[ . 1 . 2]" 1
1763 1 54 VAL QG 1 56 PHE H . . 5.440 4.216 4.022 4.358 . 0 0 "[ . 1 . 2]" 1
1764 1 54 VAL QG 1 56 PHE HA . . 5.510 4.137 3.988 4.211 . 0 0 "[ . 1 . 2]" 1
1765 1 54 VAL QG 1 56 PHE HB2 . . 5.770 5.042 4.895 5.110 . 0 0 "[ . 1 . 2]" 1
1766 1 54 VAL QG 1 56 PHE HZ . . 5.260 3.498 3.371 3.680 . 0 0 "[ . 1 . 2]" 1
1767 1 54 VAL QG 1 56 PHE QD . . 5.160 3.182 3.064 3.280 . 0 0 "[ . 1 . 2]" 1
1768 1 54 VAL QG 1 56 PHE QE . . 4.950 2.723 2.591 2.838 . 0 0 "[ . 1 . 2]" 1
1769 1 54 VAL QG 1 57 GLU H . . 6.000 5.946 5.797 6.025 0.025 20 0 "[ . 1 . 2]" 1
1770 1 54 VAL QG 1 62 ALA HA . . 6.000 5.044 4.936 5.121 . 0 0 "[ . 1 . 2]" 1
1771 1 54 VAL QG 1 91 ILE MD . . 5.320 3.656 3.562 3.781 . 0 0 "[ . 1 . 2]" 1
1772 1 55 GLU H 1 56 PHE H . . 5.340 4.405 4.317 4.471 . 0 0 "[ . 1 . 2]" 1
1773 1 55 GLU H 1 91 ILE MD . . 4.500 2.922 2.702 3.068 . 0 0 "[ . 1 . 2]" 1
1774 1 55 GLU H 1 91 ILE MG . . 5.690 5.364 5.091 5.527 . 0 0 "[ . 1 . 2]" 1
1775 1 55 GLU HA 1 56 PHE H . . 4.510 2.163 2.132 2.186 . 0 0 "[ . 1 . 2]" 1
1776 1 55 GLU HA 1 56 PHE HA . . 5.860 4.357 4.335 4.372 . 0 0 "[ . 1 . 2]" 1
1777 1 55 GLU HA 1 56 PHE QD . . 5.490 3.262 3.157 3.466 . 0 0 "[ . 1 . 2]" 1
1778 1 55 GLU HA 1 62 ALA MB . . 5.860 4.290 4.110 4.501 . 0 0 "[ . 1 . 2]" 1
1779 1 55 GLU HA 1 91 ILE MD . . 5.190 3.626 3.411 3.756 . 0 0 "[ . 1 . 2]" 1
1780 1 55 GLU HG2 1 56 PHE H . . 5.610 3.084 2.913 3.365 . 0 0 "[ . 1 . 2]" 1
1781 1 55 GLU HG3 1 56 PHE H . . 5.610 2.706 2.529 3.003 . 0 0 "[ . 1 . 2]" 1
1782 1 55 GLU QB 1 56 PHE H . . 5.410 3.687 3.618 3.800 . 0 0 "[ . 1 . 2]" 1
1783 1 55 GLU QB 1 56 PHE HA . . 5.710 4.844 4.789 4.897 . 0 0 "[ . 1 . 2]" 1
1784 1 55 GLU QG 1 90 LYS HA . . 5.750 3.926 3.529 4.388 . 0 0 "[ . 1 . 2]" 1
1785 1 55 GLU QG 1 91 ILE H . . 5.640 4.177 3.815 4.493 . 0 0 "[ . 1 . 2]" 1
1786 1 55 GLU QG 1 91 ILE HB . . 5.800 4.893 4.598 5.056 . 0 0 "[ . 1 . 2]" 1
1787 1 56 PHE H 1 56 PHE QD . . 4.610 2.584 2.412 2.678 . 0 0 "[ . 1 . 2]" 1
1788 1 56 PHE H 1 56 PHE QE . . 5.620 4.836 4.696 4.911 . 0 0 "[ . 1 . 2]" 1
1789 1 56 PHE H 1 57 GLU H . . 5.620 4.645 4.625 4.676 . 0 0 "[ . 1 . 2]" 1
1790 1 56 PHE H 1 58 ASP H . . 5.710 4.716 4.625 4.780 . 0 0 "[ . 1 . 2]" 1
1791 1 56 PHE H 1 62 ALA H . . 5.620 4.990 4.849 5.135 . 0 0 "[ . 1 . 2]" 1
1792 1 56 PHE H 1 62 ALA HA . . 5.700 5.041 4.898 5.207 . 0 0 "[ . 1 . 2]" 1
1793 1 56 PHE H 1 62 ALA MB . . 5.310 3.296 3.124 3.426 . 0 0 "[ . 1 . 2]" 1
1794 1 56 PHE H 1 91 ILE MD . . 5.860 5.375 5.189 5.513 . 0 0 "[ . 1 . 2]" 1
1795 1 56 PHE HA 1 56 PHE QE . . 5.570 4.610 4.583 4.629 . 0 0 "[ . 1 . 2]" 1
1796 1 56 PHE HA 1 57 GLU H . . 4.350 2.332 2.319 2.360 . 0 0 "[ . 1 . 2]" 1
1797 1 56 PHE HA 1 57 GLU HA . . 5.430 4.342 4.331 4.355 . 0 0 "[ . 1 . 2]" 1
1798 1 56 PHE HA 1 57 GLU HB2 . . 5.690 4.798 4.764 4.834 . 0 0 "[ . 1 . 2]" 1
1799 1 56 PHE HA 1 57 GLU HG3 . . 5.510 3.887 3.849 3.930 . 0 0 "[ . 1 . 2]" 1
1800 1 56 PHE HA 1 58 ASP H . . 5.120 3.767 3.742 3.802 . 0 0 "[ . 1 . 2]" 1
1801 1 56 PHE HA 1 62 ALA MB . . 5.670 4.905 4.804 5.039 . 0 0 "[ . 1 . 2]" 1
1802 1 56 PHE HB2 1 57 GLU H . . 5.480 3.967 3.925 3.996 . 0 0 "[ . 1 . 2]" 1
1803 1 56 PHE HB2 1 58 ASP H . . 5.350 3.203 3.137 3.274 . 0 0 "[ . 1 . 2]" 1
1804 1 56 PHE HB2 1 61 GLY H . . 5.640 4.208 4.067 4.310 . 0 0 "[ . 1 . 2]" 1
1805 1 56 PHE HB2 1 62 ALA H . . 5.100 2.820 2.742 2.952 . 0 0 "[ . 1 . 2]" 1
1806 1 56 PHE HB2 1 62 ALA HA . . 5.460 3.835 3.758 3.937 . 0 0 "[ . 1 . 2]" 1
1807 1 56 PHE HB2 1 62 ALA MB . . 5.420 2.441 2.327 2.570 . 0 0 "[ . 1 . 2]" 1
1808 1 56 PHE HB3 1 57 GLU H . . 4.860 2.658 2.612 2.689 . 0 0 "[ . 1 . 2]" 1
1809 1 56 PHE HB3 1 57 GLU HA . . 5.770 4.735 4.692 4.772 . 0 0 "[ . 1 . 2]" 1
1810 1 56 PHE HB3 1 58 ASP H . . 4.630 2.177 2.118 2.233 . 0 0 "[ . 1 . 2]" 1
1811 1 56 PHE HB3 1 58 ASP HA . . 5.810 4.823 4.749 4.920 . 0 0 "[ . 1 . 2]" 1
1812 1 56 PHE HB3 1 59 VAL H . . 5.860 5.660 5.592 5.776 . 0 0 "[ . 1 . 2]" 1
1813 1 56 PHE HB3 1 61 GLY H . . 5.290 3.761 3.683 3.847 . 0 0 "[ . 1 . 2]" 1
1814 1 56 PHE HB3 1 62 ALA H . . 5.050 3.421 3.351 3.499 . 0 0 "[ . 1 . 2]" 1
1815 1 56 PHE HB3 1 62 ALA MB . . 5.410 3.879 3.786 4.033 . 0 0 "[ . 1 . 2]" 1
1816 1 56 PHE HZ 1 62 ALA HA . . 5.580 4.273 4.168 4.500 . 0 0 "[ . 1 . 2]" 1
1817 1 56 PHE HZ 1 64 ASN HB2 . . 5.860 5.777 5.648 5.870 0.010 10 0 "[ . 1 . 2]" 1
1818 1 56 PHE HZ 1 65 ALA HA . . 5.860 5.336 5.191 5.470 . 0 0 "[ . 1 . 2]" 1
1819 1 56 PHE HZ 1 65 ALA MB . . 4.870 2.911 2.815 2.985 . 0 0 "[ . 1 . 2]" 1
1820 1 56 PHE QD 1 57 GLU H . . 5.030 3.560 3.486 3.634 . 0 0 "[ . 1 . 2]" 1
1821 1 56 PHE QD 1 57 GLU HG3 . . 5.820 5.246 5.146 5.326 . 0 0 "[ . 1 . 2]" 1
1822 1 56 PHE QD 1 58 ASP H . . 5.200 4.003 3.922 4.111 . 0 0 "[ . 1 . 2]" 1
1823 1 56 PHE QD 1 61 GLY H . . 5.380 4.437 4.354 4.559 . 0 0 "[ . 1 . 2]" 1
1824 1 56 PHE QD 1 61 GLY QA . . 5.330 2.616 2.520 2.733 . 0 0 "[ . 1 . 2]" 1
1825 1 56 PHE QD 1 62 ALA H . . 4.960 3.733 3.690 3.798 . 0 0 "[ . 1 . 2]" 1
1826 1 56 PHE QD 1 62 ALA HA . . 5.040 2.864 2.749 3.016 . 0 0 "[ . 1 . 2]" 1
1827 1 56 PHE QD 1 62 ALA MB . . 4.630 2.525 2.444 2.648 . 0 0 "[ . 1 . 2]" 1
1828 1 56 PHE QD 1 63 CYS H . . 5.860 5.498 5.451 5.593 . 0 0 "[ . 1 . 2]" 1
1829 1 56 PHE QD 1 65 ALA MB . . 5.430 4.557 4.417 4.689 . 0 0 "[ . 1 . 2]" 1
1830 1 56 PHE QE 1 61 GLY QA . . 5.860 3.608 3.515 3.711 . 0 0 "[ . 1 . 2]" 1
1831 1 56 PHE QE 1 62 ALA HA . . 5.090 3.035 2.951 3.092 . 0 0 "[ . 1 . 2]" 1
1832 1 56 PHE QE 1 62 ALA MB . . 5.210 3.913 3.843 4.069 . 0 0 "[ . 1 . 2]" 1
1833 1 56 PHE QE 1 65 ALA H . . 5.750 4.859 4.733 4.968 . 0 0 "[ . 1 . 2]" 1
1834 1 56 PHE QE 1 65 ALA HA . . 6.000 5.701 5.541 5.841 . 0 0 "[ . 1 . 2]" 1
1835 1 56 PHE QE 1 65 ALA MB . . 4.890 3.194 3.037 3.330 . 0 0 "[ . 1 . 2]" 1
1836 1 56 PHE QE 1 66 VAL QG . . 5.800 5.220 5.125 5.307 . 0 0 "[ . 1 . 2]" 1
1837 1 56 PHE QE 1 83 VAL QG . . 5.190 4.290 4.173 4.441 . 0 0 "[ . 1 . 2]" 1
1838 1 57 GLU H 1 57 GLU HB2 . . 4.370 2.470 2.444 2.508 . 0 0 "[ . 1 . 2]" 1
1839 1 57 GLU H 1 57 GLU HG2 . . 5.050 3.380 3.286 3.421 . 0 0 "[ . 1 . 2]" 1
1840 1 57 GLU H 1 57 GLU HG3 . . 4.640 2.301 2.226 2.363 . 0 0 "[ . 1 . 2]" 1
1841 1 57 GLU H 1 58 ASP H . . 4.420 2.502 2.478 2.534 . 0 0 "[ . 1 . 2]" 1
1842 1 57 GLU HA 1 58 ASP H . . 4.920 3.404 3.382 3.422 . 0 0 "[ . 1 . 2]" 1
1843 1 57 GLU HA 1 58 ASP HA . . 5.550 4.543 4.532 4.559 . 0 0 "[ . 1 . 2]" 1
1844 1 57 GLU HB2 1 58 ASP H . . 4.810 3.272 3.207 3.348 . 0 0 "[ . 1 . 2]" 1
1845 1 57 GLU HB2 1 58 ASP HA . . 6.000 5.025 4.984 5.068 . 0 0 "[ . 1 . 2]" 1
1846 1 57 GLU HB3 1 58 ASP H . . 5.370 4.136 4.089 4.186 . 0 0 "[ . 1 . 2]" 1
1847 1 57 GLU HG3 1 58 ASP H . . 5.460 4.512 4.432 4.563 . 0 0 "[ . 1 . 2]" 1
1848 1 58 ASP H 1 61 GLY H . . 5.320 3.902 3.807 3.965 . 0 0 "[ . 1 . 2]" 1
1849 1 58 ASP H 1 61 GLY QA . . 5.550 4.154 4.063 4.236 . 0 0 "[ . 1 . 2]" 1
1850 1 58 ASP H 1 62 ALA H . . 5.480 4.517 4.478 4.582 . 0 0 "[ . 1 . 2]" 1
1851 1 58 ASP HA 1 59 VAL H . . 4.170 2.210 2.191 2.238 . 0 0 "[ . 1 . 2]" 1
1852 1 58 ASP HA 1 59 VAL HA . . 5.460 4.303 4.282 4.342 . 0 0 "[ . 1 . 2]" 1
1853 1 58 ASP HA 1 59 VAL QG . . 5.570 3.880 3.523 4.008 . 0 0 "[ . 1 . 2]" 1
1854 1 58 ASP HA 1 60 LEU H . . 5.190 3.792 3.777 3.814 . 0 0 "[ . 1 . 2]" 1
1855 1 58 ASP HA 1 60 LEU HB2 . . 5.820 5.893 5.880 5.908 0.088 7 0 "[ . 1 . 2]" 1
1856 1 58 ASP HA 1 61 GLY H . . 5.660 4.591 4.555 4.640 . 0 0 "[ . 1 . 2]" 1
1857 1 58 ASP HB2 1 59 VAL H . . 5.320 4.147 4.114 4.165 . 0 0 "[ . 1 . 2]" 1
1858 1 58 ASP HB2 1 59 VAL QG . . 5.730 5.078 4.969 5.359 . 0 0 "[ . 1 . 2]" 1
1859 1 58 ASP HB2 1 60 LEU H . . 4.860 3.539 3.495 3.572 . 0 0 "[ . 1 . 2]" 1
1860 1 58 ASP HB2 1 60 LEU HA . . 5.860 5.801 5.694 5.858 . 0 0 "[ . 1 . 2]" 1
1861 1 58 ASP HB2 1 60 LEU HB2 . . 5.390 4.870 4.778 4.913 . 0 0 "[ . 1 . 2]" 1
1862 1 58 ASP HB2 1 60 LEU HB3 . . 5.390 3.439 3.314 3.486 . 0 0 "[ . 1 . 2]" 1
1863 1 58 ASP HB2 1 60 LEU QD . . 5.830 4.500 4.389 4.541 . 0 0 "[ . 1 . 2]" 1
1864 1 58 ASP HB2 1 61 GLY H . . 5.050 3.046 2.968 3.149 . 0 0 "[ . 1 . 2]" 1
1865 1 58 ASP HB2 1 62 ALA H . . 5.790 5.081 5.013 5.151 . 0 0 "[ . 1 . 2]" 1
1866 1 58 ASP HB3 1 59 VAL H . . 4.710 2.919 2.857 2.941 . 0 0 "[ . 1 . 2]" 1
1867 1 58 ASP HB3 1 59 VAL HA . . 5.860 4.811 4.794 4.853 . 0 0 "[ . 1 . 2]" 1
1868 1 58 ASP HB3 1 59 VAL QG . . 5.420 3.899 3.691 4.467 . 0 0 "[ . 1 . 2]" 1
1869 1 58 ASP HB3 1 60 LEU H . . 4.930 2.283 2.234 2.311 . 0 0 "[ . 1 . 2]" 1
1870 1 58 ASP HB3 1 60 LEU HA . . 5.860 4.893 4.820 4.934 . 0 0 "[ . 1 . 2]" 1
1871 1 58 ASP HB3 1 60 LEU HB3 . . 5.460 2.776 2.702 2.830 . 0 0 "[ . 1 . 2]" 1
1872 1 58 ASP HB3 1 60 LEU QD . . 5.600 4.101 4.050 4.127 . 0 0 "[ . 1 . 2]" 1
1873 1 58 ASP HB3 1 61 GLY H . . 5.250 3.228 3.170 3.311 . 0 0 "[ . 1 . 2]" 1
1874 1 59 VAL H 1 59 VAL HB . . 4.310 2.384 2.366 2.432 . 0 0 "[ . 1 . 2]" 1
1875 1 59 VAL H 1 60 LEU HA . . 5.800 5.228 5.174 5.261 . 0 0 "[ . 1 . 2]" 1
1876 1 59 VAL H 1 60 LEU HB2 . . 5.500 4.864 4.831 4.887 . 0 0 "[ . 1 . 2]" 1
1877 1 59 VAL H 1 61 GLY H . . 5.520 4.372 4.333 4.403 . 0 0 "[ . 1 . 2]" 1
1878 1 59 VAL H 1 62 ALA H . . 5.860 5.073 5.024 5.099 . 0 0 "[ . 1 . 2]" 1
1879 1 59 VAL H 1 62 ALA MB . . 5.860 4.913 4.852 4.975 . 0 0 "[ . 1 . 2]" 1
1880 1 59 VAL HA 1 60 LEU HA . . 5.620 4.811 4.797 4.838 . 0 0 "[ . 1 . 2]" 1
1881 1 59 VAL HA 1 61 GLY H . . 5.510 4.116 4.062 4.193 . 0 0 "[ . 1 . 2]" 1
1882 1 59 VAL HA 1 62 ALA H . . 5.180 3.277 3.228 3.360 . 0 0 "[ . 1 . 2]" 1
1883 1 59 VAL HA 1 62 ALA MB . . 4.690 2.552 2.481 2.626 . 0 0 "[ . 1 . 2]" 1
1884 1 59 VAL HA 1 63 CYS H . . 5.400 4.066 4.034 4.119 . 0 0 "[ . 1 . 2]" 1
1885 1 59 VAL HA 1 85 TYR QE . . 5.860 5.465 4.660 5.876 0.016 11 0 "[ . 1 . 2]" 1
1886 1 59 VAL HB 1 60 LEU H . . 5.270 3.826 3.003 4.103 . 0 0 "[ . 1 . 2]" 1
1887 1 59 VAL HB 1 60 LEU HB2 . . 6.000 5.689 4.517 6.075 0.075 9 0 "[ . 1 . 2]" 1
1888 1 59 VAL QG 1 60 LEU H . . 4.120 2.761 2.496 3.461 . 0 0 "[ . 1 . 2]" 1
1889 1 59 VAL QG 1 60 LEU HA . . 4.750 3.276 3.156 3.625 . 0 0 "[ . 1 . 2]" 1
1890 1 59 VAL QG 1 60 LEU HB2 . . 5.120 3.683 3.366 4.586 . 0 0 "[ . 1 . 2]" 1
1891 1 59 VAL QG 1 60 LEU HG . . 6.000 5.533 5.347 6.056 0.056 2 0 "[ . 1 . 2]" 1
1892 1 59 VAL QG 1 61 GLY H . . 5.840 4.398 4.287 4.677 . 0 0 "[ . 1 . 2]" 1
1893 1 59 VAL QG 1 62 ALA H . . 5.840 4.211 4.169 4.288 . 0 0 "[ . 1 . 2]" 1
1894 1 59 VAL QG 1 63 CYS H . . 5.840 3.738 3.686 3.774 . 0 0 "[ . 1 . 2]" 1
1895 1 59 VAL QG 1 63 CYS QB . . 5.380 3.116 2.889 3.749 . 0 0 "[ . 1 . 2]" 1
1896 1 60 LEU H 1 60 LEU HB2 . . 4.030 2.523 2.510 2.536 . 0 0 "[ . 1 . 2]" 1
1897 1 60 LEU H 1 60 LEU HG . . 5.310 4.380 4.368 4.392 . 0 0 "[ . 1 . 2]" 1
1898 1 60 LEU H 1 61 GLY H . . 4.550 2.619 2.585 2.684 . 0 0 "[ . 1 . 2]" 1
1899 1 60 LEU H 1 61 GLY QA . . 5.570 4.518 4.489 4.572 . 0 0 "[ . 1 . 2]" 1
1900 1 60 LEU H 1 62 ALA H . . 5.560 4.126 4.070 4.183 . 0 0 "[ . 1 . 2]" 1
1901 1 60 LEU H 1 63 CYS H . . 5.640 4.612 4.552 4.683 . 0 0 "[ . 1 . 2]" 1
1902 1 60 LEU HA 1 61 GLY QA . . 5.830 4.478 4.472 4.483 . 0 0 "[ . 1 . 2]" 1
1903 1 60 LEU HA 1 62 ALA H . . 5.650 4.491 4.430 4.531 . 0 0 "[ . 1 . 2]" 1
1904 1 60 LEU HA 1 63 CYS H . . 5.180 3.381 3.309 3.437 . 0 0 "[ . 1 . 2]" 1
1905 1 60 LEU HA 1 63 CYS HB2 . . 5.210 3.191 2.510 3.422 . 0 0 "[ . 1 . 2]" 1
1906 1 60 LEU HA 1 63 CYS HB3 . . 5.210 2.704 2.314 4.251 . 0 0 "[ . 1 . 2]" 1
1907 1 60 LEU HA 1 63 CYS QB . . 4.800 2.403 2.257 2.578 . 0 0 "[ . 1 . 2]" 1
1908 1 60 LEU HA 1 64 ASN H . . 5.310 4.155 4.100 4.265 . 0 0 "[ . 1 . 2]" 1
1909 1 60 LEU HA 1 64 ASN HB2 . . 5.850 5.853 5.831 5.875 0.025 18 0 "[ . 1 . 2]" 1
1910 1 60 LEU HA 1 64 ASN HD21 . . 6.000 5.783 5.737 5.879 . 0 0 "[ . 1 . 2]" 1
1911 1 60 LEU HB2 1 61 GLY H . . 4.830 4.029 4.011 4.046 . 0 0 "[ . 1 . 2]" 1
1912 1 60 LEU HB3 1 61 GLY H . . 4.820 2.767 2.739 2.808 . 0 0 "[ . 1 . 2]" 1
1913 1 60 LEU HB3 1 61 GLY QA . . 5.850 4.026 4.005 4.050 . 0 0 "[ . 1 . 2]" 1
1914 1 60 LEU HB3 1 62 ALA H . . 5.860 5.090 5.035 5.130 . 0 0 "[ . 1 . 2]" 1
1915 1 60 LEU HB3 1 63 CYS QB . . 5.800 5.028 4.872 5.292 . 0 0 "[ . 1 . 2]" 1
1916 1 60 LEU HB3 1 64 ASN H . . 6.000 5.785 5.739 5.869 . 0 0 "[ . 1 . 2]" 1
1917 1 60 LEU HB3 1 64 ASN HD21 . . 5.620 5.439 5.385 5.510 . 0 0 "[ . 1 . 2]" 1
1918 1 60 LEU HB3 1 64 ASN HD22 . . 5.530 4.694 4.643 4.764 . 0 0 "[ . 1 . 2]" 1
1919 1 60 LEU HG 1 61 GLY H . . 5.670 3.844 3.804 3.894 . 0 0 "[ . 1 . 2]" 1
1920 1 60 LEU HG 1 63 CYS QB . . 5.400 4.413 4.277 4.631 . 0 0 "[ . 1 . 2]" 1
1921 1 60 LEU HG 1 64 ASN H . . 5.860 4.555 4.476 4.665 . 0 0 "[ . 1 . 2]" 1
1922 1 60 LEU HG 1 64 ASN HD21 . . 5.840 3.602 3.534 3.720 . 0 0 "[ . 1 . 2]" 1
1923 1 60 LEU HG 1 64 ASN HD22 . . 5.360 2.405 2.349 2.479 . 0 0 "[ . 1 . 2]" 1
1924 1 60 LEU MD1 1 64 ASN HD22 . . 5.510 3.265 3.209 3.394 . 0 0 "[ . 1 . 2]" 1
1925 1 60 LEU MD2 1 64 ASN HD21 . . 5.170 4.625 4.525 4.720 . 0 0 "[ . 1 . 2]" 1
1926 1 60 LEU QD 1 61 GLY QA . . 5.670 4.045 4.023 4.077 . 0 0 "[ . 1 . 2]" 1
1927 1 60 LEU QD 1 63 CYS HB2 . . 5.850 3.931 2.896 4.196 . 0 0 "[ . 1 . 2]" 1
1928 1 60 LEU QD 1 63 CYS HB3 . . 5.850 3.000 2.698 4.072 . 0 0 "[ . 1 . 2]" 1
1929 1 60 LEU QD 1 63 CYS QB . . 5.560 2.796 2.655 2.970 . 0 0 "[ . 1 . 2]" 1
1930 1 60 LEU QD 1 64 ASN HA . . 5.780 4.664 4.615 4.726 . 0 0 "[ . 1 . 2]" 1
1931 1 60 LEU QD 1 64 ASN HB2 . . 5.470 4.803 4.767 4.849 . 0 0 "[ . 1 . 2]" 1
1932 1 60 LEU QD 1 64 ASN HB3 . . 5.800 5.164 5.122 5.204 . 0 0 "[ . 1 . 2]" 1
1933 1 60 LEU QD 1 64 ASN HD22 . . 5.300 2.956 2.890 3.049 . 0 0 "[ . 1 . 2]" 1
1934 1 61 GLY H 1 62 ALA H . . 4.550 2.529 2.505 2.556 . 0 0 "[ . 1 . 2]" 1
1935 1 61 GLY H 1 62 ALA MB . . 5.570 4.141 4.109 4.169 . 0 0 "[ . 1 . 2]" 1
1936 1 61 GLY H 1 63 CYS H . . 5.460 3.873 3.811 3.974 . 0 0 "[ . 1 . 2]" 1
1937 1 61 GLY H 1 64 ASN H . . 5.590 4.609 4.573 4.654 . 0 0 "[ . 1 . 2]" 1
1938 1 61 GLY H 1 64 ASN HB2 . . 5.800 5.346 5.286 5.418 . 0 0 "[ . 1 . 2]" 1
1939 1 61 GLY H 1 64 ASN HD21 . . 5.310 5.036 4.998 5.083 . 0 0 "[ . 1 . 2]" 1
1940 1 61 GLY H 1 64 ASN HD22 . . 5.570 5.191 5.140 5.254 . 0 0 "[ . 1 . 2]" 1
1941 1 61 GLY QA 1 62 ALA H . . 4.890 2.745 2.732 2.769 . 0 0 "[ . 1 . 2]" 1
1942 1 61 GLY QA 1 62 ALA MB . . 5.630 4.142 4.130 4.152 . 0 0 "[ . 1 . 2]" 1
1943 1 61 GLY QA 1 63 CYS H . . 5.690 3.931 3.881 3.999 . 0 0 "[ . 1 . 2]" 1
1944 1 61 GLY QA 1 64 ASN H . . 5.210 3.189 3.151 3.252 . 0 0 "[ . 1 . 2]" 1
1945 1 61 GLY QA 1 64 ASN HB2 . . 5.070 2.726 2.638 2.821 . 0 0 "[ . 1 . 2]" 1
1946 1 61 GLY QA 1 64 ASN HB3 . . 5.730 4.230 4.129 4.329 . 0 0 "[ . 1 . 2]" 1
1947 1 61 GLY QA 1 64 ASN HD21 . . 5.170 2.515 2.446 2.565 . 0 0 "[ . 1 . 2]" 1
1948 1 61 GLY QA 1 64 ASN HD22 . . 5.270 3.442 3.367 3.513 . 0 0 "[ . 1 . 2]" 1
1949 1 62 ALA H 1 63 CYS H . . 4.570 2.570 2.544 2.607 . 0 0 "[ . 1 . 2]" 1
1950 1 62 ALA H 1 63 CYS QB . . 5.700 4.315 4.236 4.569 . 0 0 "[ . 1 . 2]" 1
1951 1 62 ALA H 1 64 ASN H . . 5.470 4.063 3.999 4.119 . 0 0 "[ . 1 . 2]" 1
1952 1 62 ALA H 1 64 ASN HD21 . . 6.000 5.987 5.940 6.015 0.015 7 0 "[ . 1 . 2]" 1
1953 1 62 ALA H 1 85 TYR QE . . 5.810 5.454 5.058 5.786 . 0 0 "[ . 1 . 2]" 1
1954 1 62 ALA HA 1 63 CYS HA . . 5.670 4.816 4.785 4.839 . 0 0 "[ . 1 . 2]" 1
1955 1 62 ALA HA 1 64 ASN H . . 5.590 4.351 4.278 4.405 . 0 0 "[ . 1 . 2]" 1
1956 1 62 ALA HA 1 65 ALA MB . . 4.770 3.105 2.975 3.242 . 0 0 "[ . 1 . 2]" 1
1957 1 62 ALA HA 1 66 VAL H . . 5.580 4.644 4.598 4.695 . 0 0 "[ . 1 . 2]" 1
1958 1 62 ALA HA 1 66 VAL QG . . 5.410 4.148 4.098 4.212 . 0 0 "[ . 1 . 2]" 1
1959 1 62 ALA HA 1 85 TYR QE . . 5.620 4.970 4.702 5.287 . 0 0 "[ . 1 . 2]" 1
1960 1 62 ALA MB 1 63 CYS H . . 4.410 2.551 2.520 2.586 . 0 0 "[ . 1 . 2]" 1
1961 1 62 ALA MB 1 64 ASN H . . 5.600 4.504 4.448 4.550 . 0 0 "[ . 1 . 2]" 1
1962 1 62 ALA MB 1 65 ALA H . . 6.000 4.706 4.623 4.778 . 0 0 "[ . 1 . 2]" 1
1963 1 62 ALA MB 1 65 ALA MB . . 5.400 4.183 4.052 4.310 . 0 0 "[ . 1 . 2]" 1
1964 1 62 ALA MB 1 66 VAL QG . . 5.160 3.725 3.668 3.809 . 0 0 "[ . 1 . 2]" 1
1965 1 62 ALA MB 1 85 TYR QD . . 4.810 3.091 2.834 3.315 . 0 0 "[ . 1 . 2]" 1
1966 1 62 ALA MB 1 85 TYR QE . . 4.520 3.134 2.530 3.503 . 0 0 "[ . 1 . 2]" 1
1967 1 63 CYS H 1 64 ASN H . . 4.530 2.624 2.600 2.646 . 0 0 "[ . 1 . 2]" 1
1968 1 63 CYS H 1 64 ASN HA . . 5.820 5.244 5.219 5.266 . 0 0 "[ . 1 . 2]" 1
1969 1 63 CYS H 1 65 ALA H . . 5.520 4.182 4.114 4.291 . 0 0 "[ . 1 . 2]" 1
1970 1 63 CYS H 1 66 VAL H . . 5.680 4.920 4.863 4.984 . 0 0 "[ . 1 . 2]" 1
1971 1 63 CYS H 1 66 VAL QG . . 5.480 4.817 4.743 4.883 . 0 0 "[ . 1 . 2]" 1
1972 1 63 CYS H 1 85 TYR QD . . 5.860 5.425 5.135 5.898 0.038 13 0 "[ . 1 . 2]" 1
1973 1 63 CYS H 1 85 TYR QE . . 4.960 3.694 3.473 3.935 . 0 0 "[ . 1 . 2]" 1
1974 1 63 CYS HA 1 64 ASN HA . . 5.660 4.800 4.776 4.817 . 0 0 "[ . 1 . 2]" 1
1975 1 63 CYS HA 1 65 ALA H . . 5.620 4.243 4.193 4.269 . 0 0 "[ . 1 . 2]" 1
1976 1 63 CYS HA 1 66 VAL H . . 5.350 3.333 3.224 3.419 . 0 0 "[ . 1 . 2]" 1
1977 1 63 CYS HA 1 66 VAL HB . . 5.100 2.829 2.666 2.994 . 0 0 "[ . 1 . 2]" 1
1978 1 63 CYS HA 1 66 VAL MG1 . . 5.490 4.265 4.129 4.413 . 0 0 "[ . 1 . 2]" 1
1979 1 63 CYS HA 1 66 VAL MG2 . . 5.490 3.442 3.345 3.565 . 0 0 "[ . 1 . 2]" 1
1980 1 63 CYS HA 1 66 VAL QG . . 5.100 3.304 3.223 3.407 . 0 0 "[ . 1 . 2]" 1
1981 1 63 CYS HA 1 67 ASN H . . 5.400 3.937 3.815 4.131 . 0 0 "[ . 1 . 2]" 1
1982 1 63 CYS HA 1 85 TYR QE . . 4.640 2.342 2.174 3.138 . 0 0 "[ . 1 . 2]" 1
1983 1 63 CYS HB2 1 85 TYR QE . . 5.590 3.382 2.899 4.519 . 0 0 "[ . 1 . 2]" 1
1984 1 63 CYS HB3 1 85 TYR QE . . 5.590 4.481 4.002 5.000 . 0 0 "[ . 1 . 2]" 1
1985 1 63 CYS QB 1 64 ASN H . . 4.260 2.764 2.688 2.914 . 0 0 "[ . 1 . 2]" 1
1986 1 63 CYS QB 1 64 ASN HA . . 5.520 4.195 3.975 4.259 . 0 0 "[ . 1 . 2]" 1
1987 1 63 CYS QB 1 66 VAL QG . . 5.420 4.656 4.545 4.744 . 0 0 "[ . 1 . 2]" 1
1988 1 64 ASN H 1 64 ASN HD21 . . 5.130 3.919 3.860 3.987 . 0 0 "[ . 1 . 2]" 1
1989 1 64 ASN H 1 64 ASN HD22 . . 5.390 4.346 4.296 4.421 . 0 0 "[ . 1 . 2]" 1
1990 1 64 ASN H 1 65 ALA H . . 4.570 2.660 2.627 2.687 . 0 0 "[ . 1 . 2]" 1
1991 1 64 ASN H 1 66 VAL QG . . 5.670 5.108 5.037 5.169 . 0 0 "[ . 1 . 2]" 1
1992 1 64 ASN H 1 67 ASN H . . 5.710 4.739 4.667 4.948 . 0 0 "[ . 1 . 2]" 1
1993 1 64 ASN H 1 67 ASN QB . . 5.720 4.891 4.643 5.729 0.009 17 0 "[ . 1 . 2]" 1
1994 1 64 ASN HA 1 64 ASN HD22 . . 5.610 4.700 4.688 4.718 . 0 0 "[ . 1 . 2]" 1
1995 1 64 ASN HA 1 65 ALA MB . . 5.860 5.022 5.017 5.028 . 0 0 "[ . 1 . 2]" 1
1996 1 64 ASN HB2 1 65 ALA H . . 4.860 2.818 2.781 2.856 . 0 0 "[ . 1 . 2]" 1
1997 1 64 ASN HB2 1 65 ALA HA . . 5.710 4.471 4.427 4.559 . 0 0 "[ . 1 . 2]" 1
1998 1 64 ASN HB2 1 65 ALA MB . . 5.370 4.055 4.014 4.122 . 0 0 "[ . 1 . 2]" 1
1999 1 64 ASN HB3 1 65 ALA H . . 5.290 3.742 3.683 3.771 . 0 0 "[ . 1 . 2]" 1
2000 1 64 ASN HB3 1 65 ALA MB . . 5.860 4.731 4.686 4.774 . 0 0 "[ . 1 . 2]" 1
2001 1 65 ALA H 1 66 VAL H . . 5.120 2.602 2.570 2.636 . 0 0 "[ . 1 . 2]" 1
2002 1 65 ALA H 1 66 VAL HB . . 5.860 4.799 4.730 4.884 . 0 0 "[ . 1 . 2]" 1
2003 1 65 ALA H 1 66 VAL QG . . 5.380 3.983 3.931 4.030 . 0 0 "[ . 1 . 2]" 1
2004 1 65 ALA H 1 67 ASN H . . 5.490 4.070 4.005 4.219 . 0 0 "[ . 1 . 2]" 1
2005 1 65 ALA HA 1 66 VAL QG . . 5.620 4.672 4.633 4.708 . 0 0 "[ . 1 . 2]" 1
2006 1 65 ALA HA 1 67 ASN H . . 5.590 4.510 4.450 4.695 . 0 0 "[ . 1 . 2]" 1
2007 1 65 ALA HA 1 68 TYR H . . 5.920 3.737 3.638 3.921 . 0 0 "[ . 1 . 2]" 1
2008 1 65 ALA HA 1 68 TYR HA . . 6.000 5.940 5.725 6.073 0.073 17 0 "[ . 1 . 2]" 1
2009 1 65 ALA HA 1 68 TYR HB2 . . 5.350 4.413 4.090 4.662 . 0 0 "[ . 1 . 2]" 1
2010 1 65 ALA HA 1 68 TYR HB3 . . 5.170 3.181 2.954 3.284 . 0 0 "[ . 1 . 2]" 1
2011 1 65 ALA HA 1 68 TYR QD . . 5.420 4.648 4.346 4.842 . 0 0 "[ . 1 . 2]" 1
2012 1 65 ALA HA 1 69 ALA H . . 5.710 4.544 4.364 4.725 . 0 0 "[ . 1 . 2]" 1
2013 1 65 ALA HA 1 69 ALA MB . . 5.660 4.858 4.582 5.129 . 0 0 "[ . 1 . 2]" 1
2014 1 65 ALA HA 1 74 ILE MD . . 5.260 2.955 2.748 3.236 . 0 0 "[ . 1 . 2]" 1
2015 1 65 ALA HA 1 74 ILE MG . . 5.790 5.254 5.014 5.525 . 0 0 "[ . 1 . 2]" 1
2016 1 65 ALA MB 1 66 VAL H . . 4.790 2.663 2.585 2.745 . 0 0 "[ . 1 . 2]" 1
2017 1 65 ALA MB 1 66 VAL QG . . 4.880 2.894 2.846 2.954 . 0 0 "[ . 1 . 2]" 1
2018 1 65 ALA MB 1 67 ASN H . . 5.490 4.573 4.506 4.711 . 0 0 "[ . 1 . 2]" 1
2019 1 65 ALA MB 1 74 ILE MG . . 5.140 4.382 4.232 4.603 . 0 0 "[ . 1 . 2]" 1
2020 1 65 ALA MB 1 83 VAL HB . . 5.200 3.987 3.605 4.388 . 0 0 "[ . 1 . 2]" 1
2021 1 66 VAL H 1 67 ASN H . . 4.830 2.509 2.447 2.605 . 0 0 "[ . 1 . 2]" 1
2022 1 66 VAL H 1 83 VAL QG . . 5.650 3.818 3.454 4.263 . 0 0 "[ . 1 . 2]" 1
2023 1 66 VAL H 1 85 TYR QE . . 5.740 4.668 4.493 5.159 . 0 0 "[ . 1 . 2]" 1
2024 1 66 VAL HA 1 69 ALA MB . . 5.520 2.680 2.434 3.075 . 0 0 "[ . 1 . 2]" 1
2025 1 66 VAL HB 1 67 ASN H . . 4.720 2.873 2.839 2.892 . 0 0 "[ . 1 . 2]" 1
2026 1 66 VAL HB 1 67 ASN HA . . 5.790 4.440 4.392 4.508 . 0 0 "[ . 1 . 2]" 1
2027 1 66 VAL HB 1 83 VAL QG . . 5.840 4.488 4.140 4.924 . 0 0 "[ . 1 . 2]" 1
2028 1 66 VAL HB 1 85 TYR QE . . 5.610 3.485 3.226 3.845 . 0 0 "[ . 1 . 2]" 1
2029 1 66 VAL MG1 1 67 ASN H . . 5.240 3.618 3.529 3.685 . 0 0 "[ . 1 . 2]" 1
2030 1 66 VAL MG1 1 67 ASN HA . . 5.840 3.540 3.377 3.612 . 0 0 "[ . 1 . 2]" 1
2031 1 66 VAL MG1 1 69 ALA MB . . 5.610 3.437 3.280 3.746 . 0 0 "[ . 1 . 2]" 1
2032 1 66 VAL MG1 1 84 ASN HA . . 5.010 2.315 2.166 2.585 . 0 0 "[ . 1 . 2]" 1
2033 1 66 VAL MG1 1 84 ASN QB . . 5.520 3.854 3.654 4.144 . 0 0 "[ . 1 . 2]" 1
2034 1 66 VAL MG1 1 85 TYR H . . 5.080 3.135 2.885 3.405 . 0 0 "[ . 1 . 2]" 1
2035 1 66 VAL MG1 1 85 TYR QD . . 5.150 3.381 3.062 3.569 . 0 0 "[ . 1 . 2]" 1
2036 1 66 VAL MG1 1 85 TYR QE . . 5.130 2.887 2.686 3.035 . 0 0 "[ . 1 . 2]" 1
2037 1 66 VAL MG2 1 67 ASN H . . 5.240 4.001 3.971 4.038 . 0 0 "[ . 1 . 2]" 1
2038 1 66 VAL MG2 1 67 ASN HA . . 5.840 5.483 5.418 5.500 . 0 0 "[ . 1 . 2]" 1
2039 1 66 VAL MG2 1 69 ALA MB . . 5.610 4.029 3.796 4.373 . 0 0 "[ . 1 . 2]" 1
2040 1 66 VAL MG2 1 84 ASN HA . . 5.010 2.219 2.060 2.326 . 0 0 "[ . 1 . 2]" 1
2041 1 66 VAL MG2 1 84 ASN QB . . 5.520 3.975 3.817 4.107 . 0 0 "[ . 1 . 2]" 1
2042 1 66 VAL MG2 1 85 TYR H . . 5.080 2.928 2.732 3.166 . 0 0 "[ . 1 . 2]" 1
2043 1 66 VAL MG2 1 85 TYR QD . . 5.150 3.063 2.922 3.311 . 0 0 "[ . 1 . 2]" 1
2044 1 66 VAL MG2 1 85 TYR QE . . 5.130 3.129 2.995 3.329 . 0 0 "[ . 1 . 2]" 1
2045 1 66 VAL QG 1 67 ASN H . . 4.890 3.364 3.319 3.394 . 0 0 "[ . 1 . 2]" 1
2046 1 66 VAL QG 1 67 ASN HA . . 5.180 3.499 3.345 3.566 . 0 0 "[ . 1 . 2]" 1
2047 1 66 VAL QG 1 69 ALA MB . . 5.290 3.254 3.095 3.544 . 0 0 "[ . 1 . 2]" 1
2048 1 66 VAL QG 1 70 ALA MB . . 5.840 3.948 3.593 4.557 . 0 0 "[ . 1 . 2]" 1
2049 1 66 VAL QG 1 83 VAL HB . . 5.670 4.143 3.402 4.721 . 0 0 "[ . 1 . 2]" 1
2050 1 66 VAL QG 1 83 VAL QG . . 4.570 2.264 2.140 2.422 . 0 0 "[ . 1 . 2]" 1
2051 1 66 VAL QG 1 84 ASN QD . . 5.200 4.137 3.380 4.466 . 0 0 "[ . 1 . 2]" 1
2052 1 66 VAL QG 1 85 TYR H . . 4.710 2.688 2.531 2.900 . 0 0 "[ . 1 . 2]" 1
2053 1 66 VAL QG 1 85 TYR HB3 . . 5.690 4.289 4.114 4.522 . 0 0 "[ . 1 . 2]" 1
2054 1 66 VAL QG 1 85 TYR QD . . 4.820 2.842 2.712 3.007 . 0 0 "[ . 1 . 2]" 1
2055 1 66 VAL QG 1 85 TYR QE . . 4.680 2.661 2.528 2.803 . 0 0 "[ . 1 . 2]" 1
2056 1 67 ASN H 1 68 TYR H . . 5.090 2.601 2.556 2.634 . 0 0 "[ . 1 . 2]" 1
2057 1 67 ASN H 1 68 TYR HA . . 5.750 5.221 5.152 5.257 . 0 0 "[ . 1 . 2]" 1
2058 1 67 ASN H 1 68 TYR HB2 . . 5.660 5.154 4.953 5.355 . 0 0 "[ . 1 . 2]" 1
2059 1 67 ASN H 1 85 TYR QE . . 6.000 5.489 5.309 5.902 . 0 0 "[ . 1 . 2]" 1
2060 1 67 ASN HA 1 70 ALA H . . 5.870 3.703 3.359 3.874 . 0 0 "[ . 1 . 2]" 1
2061 1 67 ASN HA 1 70 ALA MB . . 5.400 3.195 2.786 3.514 . 0 0 "[ . 1 . 2]" 1
2062 1 67 ASN QB 1 68 TYR HB2 . . 5.480 4.324 4.170 5.265 . 0 0 "[ . 1 . 2]" 1
2063 1 67 ASN QB 1 70 ALA MB . . 6.000 4.565 3.905 4.978 . 0 0 "[ . 1 . 2]" 1
2064 1 68 TYR H 1 69 ALA HA . . 6.000 5.146 5.043 5.190 . 0 0 "[ . 1 . 2]" 1
2065 1 68 TYR HA 1 68 TYR QE . . 5.620 4.898 4.806 4.966 . 0 0 "[ . 1 . 2]" 1
2066 1 68 TYR HA 1 69 ALA HA . . 5.670 4.830 4.772 4.848 . 0 0 "[ . 1 . 2]" 1
2067 1 68 TYR HA 1 70 ALA H . . 5.750 3.957 3.900 4.001 . 0 0 "[ . 1 . 2]" 1
2068 1 68 TYR HA 1 74 ILE MD . . 6.000 5.421 5.042 5.811 . 0 0 "[ . 1 . 2]" 1
2069 1 68 TYR HB2 1 69 ALA H . . 5.340 4.188 4.055 4.263 . 0 0 "[ . 1 . 2]" 1
2070 1 68 TYR HB2 1 69 ALA MB . . 5.860 5.544 5.411 5.605 . 0 0 "[ . 1 . 2]" 1
2071 1 68 TYR HB2 1 74 ILE MD . . 5.840 4.692 4.271 5.249 . 0 0 "[ . 1 . 2]" 1
2072 1 68 TYR HB3 1 69 ALA H . . 4.830 3.001 2.857 3.098 . 0 0 "[ . 1 . 2]" 1
2073 1 68 TYR HB3 1 69 ALA MB . . 5.380 4.301 4.108 4.404 . 0 0 "[ . 1 . 2]" 1
2074 1 68 TYR HB3 1 74 ILE HG12 . . 5.860 4.335 4.140 4.720 . 0 0 "[ . 1 . 2]" 1
2075 1 68 TYR HB3 1 74 ILE HG13 . . 5.830 4.549 4.374 5.054 . 0 0 "[ . 1 . 2]" 1
2076 1 68 TYR HB3 1 74 ILE MD . . 5.390 3.155 2.707 3.756 . 0 0 "[ . 1 . 2]" 1
2077 1 68 TYR QD 1 69 ALA H . . 4.890 3.297 3.176 3.464 . 0 0 "[ . 1 . 2]" 1
2078 1 68 TYR QD 1 69 ALA HA . . 5.050 2.963 2.860 3.147 . 0 0 "[ . 1 . 2]" 1
2079 1 68 TYR QD 1 69 ALA MB . . 5.100 3.632 3.441 3.748 . 0 0 "[ . 1 . 2]" 1
2080 1 68 TYR QD 1 72 ASN HB2 . . 5.750 5.220 3.531 5.409 . 0 0 "[ . 1 . 2]" 1
2081 1 68 TYR QD 1 72 ASN HB3 . . 5.750 4.043 3.791 4.474 . 0 0 "[ . 1 . 2]" 1
2082 1 68 TYR QD 1 73 GLN H . . 6.000 6.044 6.013 6.076 0.076 3 0 "[ . 1 . 2]" 1
2083 1 68 TYR QD 1 74 ILE H . . 5.490 4.585 4.423 5.021 . 0 0 "[ . 1 . 2]" 1
2084 1 68 TYR QD 1 74 ILE HA . . 5.860 4.285 4.157 4.552 . 0 0 "[ . 1 . 2]" 1
2085 1 68 TYR QD 1 74 ILE HB . . 5.590 4.820 4.663 5.061 . 0 0 "[ . 1 . 2]" 1
2086 1 68 TYR QD 1 74 ILE HG12 . . 4.980 2.584 2.426 2.709 . 0 0 "[ . 1 . 2]" 1
2087 1 68 TYR QD 1 74 ILE HG13 . . 5.070 2.408 2.244 2.726 . 0 0 "[ . 1 . 2]" 1
2088 1 68 TYR QD 1 74 ILE MD . . 4.540 2.636 2.462 2.791 . 0 0 "[ . 1 . 2]" 1
2089 1 68 TYR QD 1 74 ILE MG . . 5.430 4.503 4.373 4.625 . 0 0 "[ . 1 . 2]" 1
2090 1 68 TYR QD 1 83 VAL QG . . 5.720 4.689 4.308 5.124 . 0 0 "[ . 1 . 2]" 1
2091 1 68 TYR QE 1 69 ALA H . . 5.860 5.503 5.358 5.698 . 0 0 "[ . 1 . 2]" 1
2092 1 68 TYR QE 1 69 ALA HA . . 5.440 4.251 4.100 4.525 . 0 0 "[ . 1 . 2]" 1
2093 1 68 TYR QE 1 69 ALA MB . . 5.690 5.116 4.787 5.356 . 0 0 "[ . 1 . 2]" 1
2094 1 68 TYR QE 1 72 ASN HA . . 5.860 5.167 5.091 5.342 . 0 0 "[ . 1 . 2]" 1
2095 1 68 TYR QE 1 72 ASN HB2 . . 5.170 4.303 3.159 4.493 . 0 0 "[ . 1 . 2]" 1
2096 1 68 TYR QE 1 72 ASN HB3 . . 5.380 2.951 2.836 3.228 . 0 0 "[ . 1 . 2]" 1
2097 1 68 TYR QE 1 73 GLN H . . 5.490 4.741 4.523 4.913 . 0 0 "[ . 1 . 2]" 1
2098 1 68 TYR QE 1 74 ILE H . . 5.460 4.116 3.657 4.566 . 0 0 "[ . 1 . 2]" 1
2099 1 68 TYR QE 1 74 ILE HG12 . . 4.860 2.631 2.307 2.711 . 0 0 "[ . 1 . 2]" 1
2100 1 68 TYR QE 1 74 ILE HG13 . . 5.090 2.935 2.684 3.154 . 0 0 "[ . 1 . 2]" 1
2101 1 68 TYR QE 1 74 ILE MD . . 5.420 3.979 3.750 4.098 . 0 0 "[ . 1 . 2]" 1
2102 1 68 TYR QE 1 75 TYR H . . 6.000 4.692 4.524 4.827 . 0 0 "[ . 1 . 2]" 1
2103 1 69 ALA H 1 70 ALA H . . 4.920 2.660 2.583 2.727 . 0 0 "[ . 1 . 2]" 1
2104 1 69 ALA H 1 70 ALA HA . . 5.770 5.272 5.161 5.318 . 0 0 "[ . 1 . 2]" 1
2105 1 69 ALA H 1 70 ALA MB . . 5.340 4.290 4.187 4.357 . 0 0 "[ . 1 . 2]" 1
2106 1 69 ALA H 1 74 ILE HG12 . . 5.770 5.298 5.151 5.443 . 0 0 "[ . 1 . 2]" 1
2107 1 69 ALA H 1 74 ILE MD . . 5.040 3.481 3.175 3.715 . 0 0 "[ . 1 . 2]" 1
2108 1 69 ALA H 1 83 VAL QG . . 5.400 4.136 3.577 4.860 . 0 0 "[ . 1 . 2]" 1
2109 1 69 ALA HA 1 70 ALA HA . . 5.670 4.815 4.794 4.878 . 0 0 "[ . 1 . 2]" 1
2110 1 69 ALA HA 1 71 ASP H . . 5.610 3.543 3.385 3.782 . 0 0 "[ . 1 . 2]" 1
2111 1 69 ALA HA 1 72 ASN H . . 5.270 3.168 2.975 3.246 . 0 0 "[ . 1 . 2]" 1
2112 1 69 ALA HA 1 72 ASN HB3 . . 5.770 4.805 4.532 4.885 . 0 0 "[ . 1 . 2]" 1
2113 1 69 ALA HA 1 73 GLN H . . 5.630 5.264 5.055 5.399 . 0 0 "[ . 1 . 2]" 1
2114 1 69 ALA HA 1 74 ILE H . . 5.410 4.033 3.800 4.476 . 0 0 "[ . 1 . 2]" 1
2115 1 69 ALA HA 1 74 ILE HA . . 5.780 5.521 5.277 5.778 . 0 0 "[ . 1 . 2]" 1
2116 1 69 ALA HA 1 74 ILE HB . . 5.470 5.128 4.752 5.452 . 0 0 "[ . 1 . 2]" 1
2117 1 69 ALA HA 1 74 ILE HG12 . . 5.440 4.589 4.385 4.748 . 0 0 "[ . 1 . 2]" 1
2118 1 69 ALA HA 1 74 ILE MD . . 5.070 3.741 3.384 4.014 . 0 0 "[ . 1 . 2]" 1
2119 1 69 ALA MB 1 70 ALA H . . 5.060 2.773 2.745 2.823 . 0 0 "[ . 1 . 2]" 1
2120 1 69 ALA MB 1 70 ALA HA . . 5.250 3.930 3.843 3.962 . 0 0 "[ . 1 . 2]" 1
2121 1 69 ALA MB 1 72 ASN HB3 . . 6.000 6.060 5.842 6.103 0.103 13 0 "[ . 1 . 2]" 1
2122 1 69 ALA MB 1 73 GLN HA . . 5.560 4.113 3.781 4.378 . 0 0 "[ . 1 . 2]" 1
2123 1 69 ALA MB 1 73 GLN HG3 . . 5.790 5.220 4.654 5.830 0.040 14 0 "[ . 1 . 2]" 1
2124 1 69 ALA MB 1 74 ILE H . . 5.170 4.065 3.924 4.296 . 0 0 "[ . 1 . 2]" 1
2125 1 69 ALA MB 1 74 ILE HA . . 5.820 5.669 5.512 5.818 . 0 0 "[ . 1 . 2]" 1
2126 1 69 ALA MB 1 74 ILE HB . . 5.100 4.343 4.048 4.598 . 0 0 "[ . 1 . 2]" 1
2127 1 69 ALA MB 1 74 ILE HG12 . . 5.170 4.527 4.339 4.683 . 0 0 "[ . 1 . 2]" 1
2128 1 69 ALA MB 1 74 ILE HG13 . . 4.730 3.257 3.156 3.382 . 0 0 "[ . 1 . 2]" 1
2129 1 69 ALA MB 1 74 ILE MD . . 4.350 2.711 2.383 2.979 . 0 0 "[ . 1 . 2]" 1
2130 1 69 ALA MB 1 74 ILE MG . . 5.570 4.956 4.692 5.180 . 0 0 "[ . 1 . 2]" 1
2131 1 69 ALA MB 1 82 PHE HA . . 5.440 3.281 3.038 3.928 . 0 0 "[ . 1 . 2]" 1
2132 1 69 ALA MB 1 82 PHE QD . . 5.350 4.306 3.495 4.678 . 0 0 "[ . 1 . 2]" 1
2133 1 69 ALA MB 1 83 VAL H . . 5.190 2.475 2.121 3.079 . 0 0 "[ . 1 . 2]" 1
2134 1 69 ALA MB 1 83 VAL HA . . 5.860 4.555 4.197 4.998 . 0 0 "[ . 1 . 2]" 1
2135 1 69 ALA MB 1 83 VAL HB . . 4.760 3.386 2.285 4.238 . 0 0 "[ . 1 . 2]" 1
2136 1 69 ALA MB 1 83 VAL QG . . 4.360 2.463 1.933 3.193 . 0 0 "[ . 1 . 2]" 1
2137 1 70 ALA H 1 71 ASP H . . 5.040 2.762 2.629 2.845 . 0 0 "[ . 1 . 2]" 1
2138 1 70 ALA H 1 71 ASP HA . . 5.860 5.318 5.252 5.396 . 0 0 "[ . 1 . 2]" 1
2139 1 70 ALA HA 1 71 ASP HA . . 5.770 4.507 4.411 4.594 . 0 0 "[ . 1 . 2]" 1
2140 1 70 ALA MB 1 71 ASP H . . 4.550 3.273 3.044 3.419 . 0 0 "[ . 1 . 2]" 1
2141 1 70 ALA MB 1 71 ASP HA . . 5.380 4.243 4.102 4.351 . 0 0 "[ . 1 . 2]" 1
2142 1 70 ALA MB 1 71 ASP QB . . 5.520 3.846 3.640 4.215 . 0 0 "[ . 1 . 2]" 1
2143 1 71 ASP H 1 72 ASN H . . 5.460 1.930 1.813 2.140 . 0 0 "[ . 1 . 2]" 1
2144 1 71 ASP H 1 72 ASN HA . . 5.700 4.599 4.458 4.843 . 0 0 "[ . 1 . 2]" 1
2145 1 71 ASP H 1 72 ASN HB2 . . 5.560 4.878 3.961 5.094 . 0 0 "[ . 1 . 2]" 1
2146 1 71 ASP HA 1 72 ASN HA . . 5.560 4.528 4.358 4.557 . 0 0 "[ . 1 . 2]" 1
2147 1 71 ASP HA 1 72 ASN HB2 . . 5.860 4.884 4.803 5.482 . 0 0 "[ . 1 . 2]" 1
2148 1 72 ASN H 1 73 GLN H . . 5.560 4.353 4.314 4.403 . 0 0 "[ . 1 . 2]" 1
2149 1 72 ASN HA 1 73 GLN H . . 4.560 2.346 2.284 2.372 . 0 0 "[ . 1 . 2]" 1
2150 1 72 ASN HA 1 73 GLN HA . . 5.710 4.384 4.349 4.425 . 0 0 "[ . 1 . 2]" 1
2151 1 72 ASN HA 1 73 GLN HB2 . . 5.290 4.734 4.343 4.801 . 0 0 "[ . 1 . 2]" 1
2152 1 72 ASN HB2 1 73 GLN H . . 5.100 4.081 3.894 4.141 . 0 0 "[ . 1 . 2]" 1
2153 1 72 ASN HB3 1 73 GLN H . . 4.730 3.731 2.694 3.909 . 0 0 "[ . 1 . 2]" 1
2154 1 72 ASN HB3 1 73 GLN HA . . 5.880 5.011 4.639 5.077 . 0 0 "[ . 1 . 2]" 1
2155 1 73 GLN H 1 73 GLN HG2 . . 5.760 3.973 3.802 4.502 . 0 0 "[ . 1 . 2]" 1
2156 1 73 GLN H 1 73 GLN HG3 . . 5.580 3.510 2.444 4.434 . 0 0 "[ . 1 . 2]" 1
2157 1 73 GLN H 1 74 ILE H . . 5.360 4.621 4.572 4.639 . 0 0 "[ . 1 . 2]" 1
2158 1 73 GLN H 1 75 TYR QR . . 6.000 4.164 3.985 4.460 . 0 0 "[ . 1 . 2]" 1
2159 1 73 GLN HA 1 74 ILE H . . 4.100 2.204 2.180 2.224 . 0 0 "[ . 1 . 2]" 1
2160 1 73 GLN HA 1 74 ILE HG12 . . 5.860 5.228 5.106 5.347 . 0 0 "[ . 1 . 2]" 1
2161 1 73 GLN HA 1 80 PRO HA . . 5.860 5.574 5.395 6.010 0.150 20 0 "[ . 1 . 2]" 1
2162 1 73 GLN HA 1 82 PHE QD . . 5.860 3.880 3.525 4.475 . 0 0 "[ . 1 . 2]" 1
2163 1 73 GLN HB2 1 74 ILE H . . 5.590 4.156 4.088 4.290 . 0 0 "[ . 1 . 2]" 1
2164 1 73 GLN HB2 1 75 TYR QR . . 5.070 3.189 2.950 5.069 . 0 0 "[ . 1 . 2]" 1
2165 1 73 GLN HB3 1 74 ILE H . . 5.450 3.190 2.987 4.138 . 0 0 "[ . 1 . 2]" 1
2166 1 73 GLN HB3 1 75 TYR QR . . 4.880 3.841 3.202 3.970 . 0 0 "[ . 1 . 2]" 1
2167 1 73 GLN HB3 1 80 PRO HA . . 5.480 3.474 3.194 4.578 . 0 0 "[ . 1 . 2]" 1
2168 1 73 GLN HG2 1 74 ILE H . . 5.650 4.843 3.067 5.178 . 0 0 "[ . 1 . 2]" 1
2169 1 73 GLN HG2 1 75 TYR QR . . 5.550 4.977 3.872 5.593 0.043 14 0 "[ . 1 . 2]" 1
2170 1 73 GLN HG2 1 80 PRO HA . . 5.670 4.820 3.051 5.379 . 0 0 "[ . 1 . 2]" 1
2171 1 73 GLN HG2 1 81 ALA H . . 5.520 4.154 2.281 4.644 . 0 0 "[ . 1 . 2]" 1
2172 1 73 GLN HG3 1 74 ILE H . . 5.400 4.090 2.696 4.794 . 0 0 "[ . 1 . 2]" 1
2173 1 73 GLN HG3 1 75 TYR QR . . 5.580 5.566 5.142 5.662 0.082 1 0 "[ . 1 . 2]" 1
2174 1 73 GLN HG3 1 80 PRO HA . . 6.000 5.717 4.715 6.115 0.115 14 0 "[ . 1 . 2]" 1
2175 1 73 GLN HG3 1 82 PHE QD . . 5.820 2.847 2.604 4.197 . 0 0 "[ . 1 . 2]" 1
2176 1 74 ILE H 1 74 ILE HB . . 4.120 2.352 2.314 2.389 . 0 0 "[ . 1 . 2]" 1
2177 1 74 ILE H 1 74 ILE HG12 . . 5.200 3.738 3.605 3.831 . 0 0 "[ . 1 . 2]" 1
2178 1 74 ILE H 1 74 ILE HG13 . . 5.230 2.490 2.317 2.614 . 0 0 "[ . 1 . 2]" 1
2179 1 74 ILE H 1 74 ILE MD . . 5.270 3.670 3.563 3.752 . 0 0 "[ . 1 . 2]" 1
2180 1 74 ILE H 1 75 TYR H . . 5.480 4.602 4.567 4.646 . 0 0 "[ . 1 . 2]" 1
2181 1 74 ILE H 1 75 TYR QR . . 5.550 4.642 4.601 4.771 . 0 0 "[ . 1 . 2]" 1
2182 1 74 ILE H 1 76 ILE MD . . 5.720 5.664 5.485 5.759 0.039 18 0 "[ . 1 . 2]" 1
2183 1 74 ILE H 1 80 PRO QB . . 5.860 5.094 4.890 5.386 . 0 0 "[ . 1 . 2]" 1
2184 1 74 ILE H 1 81 ALA H . . 5.930 3.392 3.166 3.873 . 0 0 "[ . 1 . 2]" 1
2185 1 74 ILE H 1 81 ALA MB . . 5.790 4.243 3.980 5.003 . 0 0 "[ . 1 . 2]" 1
2186 1 74 ILE H 1 82 PHE HA . . 5.820 3.588 3.421 3.979 . 0 0 "[ . 1 . 2]" 1
2187 1 74 ILE HA 1 75 TYR HA . . 6.000 4.338 4.310 4.374 . 0 0 "[ . 1 . 2]" 1
2188 1 74 ILE HA 1 75 TYR QR . . 5.800 3.269 3.210 3.373 . 0 0 "[ . 1 . 2]" 1
2189 1 74 ILE HB 1 75 TYR H . . 5.560 4.226 4.090 4.283 . 0 0 "[ . 1 . 2]" 1
2190 1 74 ILE HB 1 75 TYR QR . . 5.860 5.419 5.358 5.512 . 0 0 "[ . 1 . 2]" 1
2191 1 74 ILE HB 1 82 PHE HA . . 5.750 4.302 4.033 4.522 . 0 0 "[ . 1 . 2]" 1
2192 1 74 ILE HG12 1 75 TYR H . . 5.510 4.196 4.022 4.313 . 0 0 "[ . 1 . 2]" 1
2193 1 74 ILE HG13 1 75 TYR H . . 5.790 4.962 4.845 5.042 . 0 0 "[ . 1 . 2]" 1
2194 1 74 ILE MD 1 83 VAL H . . 5.720 4.157 3.924 4.382 . 0 0 "[ . 1 . 2]" 1
2195 1 74 ILE MD 1 83 VAL HA . . 5.830 4.901 4.742 5.088 . 0 0 "[ . 1 . 2]" 1
2196 1 74 ILE MD 1 83 VAL HB . . 4.450 2.764 2.519 3.075 . 0 0 "[ . 1 . 2]" 1
2197 1 74 ILE MD 1 83 VAL MG1 . . 4.740 2.586 1.965 3.437 . 0 0 "[ . 1 . 2]" 1
2198 1 74 ILE MD 1 83 VAL MG2 . . 4.740 2.884 2.058 3.642 . 0 0 "[ . 1 . 2]" 1
2199 1 74 ILE MD 1 83 VAL QG . . 4.210 2.030 1.956 2.093 . 0 0 "[ . 1 . 2]" 1
2200 1 74 ILE MG 1 75 TYR H . . 4.740 2.557 2.350 2.636 . 0 0 "[ . 1 . 2]" 1
2201 1 74 ILE MG 1 75 TYR HB2 . . 5.570 4.343 4.203 4.393 . 0 0 "[ . 1 . 2]" 1
2202 1 74 ILE MG 1 75 TYR HB3 . . 5.860 4.988 4.835 5.041 . 0 0 "[ . 1 . 2]" 1
2203 1 74 ILE MG 1 75 TYR QR . . 5.590 4.381 4.302 4.444 . 0 0 "[ . 1 . 2]" 1
2204 1 74 ILE MG 1 76 ILE HA . . 5.750 4.399 4.283 4.482 . 0 0 "[ . 1 . 2]" 1
2205 1 74 ILE MG 1 83 VAL QG . . 5.090 3.437 2.783 3.904 . 0 0 "[ . 1 . 2]" 1
2206 1 75 TYR H 1 75 TYR QR . . 4.710 2.570 2.500 2.731 . 0 0 "[ . 1 . 2]" 1
2207 1 75 TYR H 1 76 ILE H . . 5.570 4.569 4.542 4.583 . 0 0 "[ . 1 . 2]" 1
2208 1 75 TYR H 1 80 PRO HA . . 5.360 4.713 4.550 4.864 . 0 0 "[ . 1 . 2]" 1
2209 1 75 TYR H 1 81 ALA MB . . 5.860 5.308 5.197 5.598 . 0 0 "[ . 1 . 2]" 1
2210 1 75 TYR HA 1 76 ILE H . . 4.200 2.068 2.052 2.098 . 0 0 "[ . 1 . 2]" 1
2211 1 75 TYR HA 1 76 ILE HG12 . . 4.770 3.437 3.406 3.478 . 0 0 "[ . 1 . 2]" 1
2212 1 75 TYR HA 1 76 ILE HG13 . . 6.000 5.128 5.106 5.156 . 0 0 "[ . 1 . 2]" 1
2213 1 75 TYR HA 1 80 PRO HA . . 4.760 2.531 2.378 2.594 . 0 0 "[ . 1 . 2]" 1
2214 1 75 TYR HA 1 80 PRO QB . . 5.380 4.323 4.119 4.400 . 0 0 "[ . 1 . 2]" 1
2215 1 75 TYR HA 1 81 ALA H . . 5.560 3.503 3.307 3.594 . 0 0 "[ . 1 . 2]" 1
2216 1 75 TYR HA 1 81 ALA MB . . 5.120 3.932 3.852 4.130 . 0 0 "[ . 1 . 2]" 1
2217 1 75 TYR HB2 1 76 ILE H . . 5.130 4.281 4.269 4.299 . 0 0 "[ . 1 . 2]" 1
2218 1 75 TYR HB2 1 76 ILE HA . . 5.860 5.349 5.290 5.377 . 0 0 "[ . 1 . 2]" 1
2219 1 75 TYR HB2 1 78 GLY QA . . 5.860 5.107 4.899 5.344 . 0 0 "[ . 1 . 2]" 1
2220 1 75 TYR HB2 1 79 HIS H . . 5.860 5.477 5.330 5.624 . 0 0 "[ . 1 . 2]" 1
2221 1 75 TYR HB2 1 80 PRO HA . . 5.560 4.892 4.823 4.937 . 0 0 "[ . 1 . 2]" 1
2222 1 75 TYR HB3 1 76 ILE H . . 5.440 3.127 3.107 3.158 . 0 0 "[ . 1 . 2]" 1
2223 1 75 TYR HB3 1 76 ILE HA . . 5.780 4.482 4.450 4.521 . 0 0 "[ . 1 . 2]" 1
2224 1 75 TYR HB3 1 76 ILE MD . . 6.000 5.167 5.134 5.210 . 0 0 "[ . 1 . 2]" 1
2225 1 75 TYR HB3 1 78 GLY QA . . 5.600 3.662 3.455 3.871 . 0 0 "[ . 1 . 2]" 1
2226 1 75 TYR HB3 1 79 HIS H . . 5.080 3.757 3.613 3.907 . 0 0 "[ . 1 . 2]" 1
2227 1 75 TYR HB3 1 80 PRO HA . . 5.300 4.490 4.424 4.574 . 0 0 "[ . 1 . 2]" 1
2228 1 75 TYR HB3 1 80 PRO QB . . 5.860 5.693 5.512 5.810 . 0 0 "[ . 1 . 2]" 1
2229 1 75 TYR QR 1 76 ILE H . . 5.290 3.837 3.759 3.948 . 0 0 "[ . 1 . 2]" 1
2230 1 75 TYR QR 1 78 GLY QA . . 5.610 3.155 2.963 3.328 . 0 0 "[ . 1 . 2]" 1
2231 1 75 TYR QR 1 79 HIS H . . 5.180 3.375 3.293 3.444 . 0 0 "[ . 1 . 2]" 1
2232 1 75 TYR QR 1 79 HIS HA . . 4.930 2.847 2.730 3.072 . 0 0 "[ . 1 . 2]" 1
2233 1 75 TYR QR 1 79 HIS HB2 . . 5.780 4.944 4.859 5.044 . 0 0 "[ . 1 . 2]" 1
2234 1 75 TYR QR 1 79 HIS HB3 . . 5.780 4.817 4.688 5.064 . 0 0 "[ . 1 . 2]" 1
2235 1 75 TYR QR 1 79 HIS QB . . 5.510 4.344 4.248 4.435 . 0 0 "[ . 1 . 2]" 1
2236 1 75 TYR QR 1 80 PRO HA . . 5.110 3.202 3.139 3.295 . 0 0 "[ . 1 . 2]" 1
2237 1 75 TYR QR 1 80 PRO HD2 . . 5.110 3.859 3.754 3.932 . 0 0 "[ . 1 . 2]" 1
2238 1 75 TYR QR 1 80 PRO HD3 . . 4.950 2.429 2.307 2.514 . 0 0 "[ . 1 . 2]" 1
2239 1 75 TYR QR 1 80 PRO HG2 . . 5.350 4.822 4.768 4.886 . 0 0 "[ . 1 . 2]" 1
2240 1 75 TYR QR 1 80 PRO HG3 . . 5.350 4.057 3.939 4.161 . 0 0 "[ . 1 . 2]" 1
2241 1 75 TYR QR 1 80 PRO QB . . 5.040 2.956 2.748 3.081 . 0 0 "[ . 1 . 2]" 1
2242 1 75 TYR QR 1 81 ALA H . . 5.570 4.310 4.235 4.473 . 0 0 "[ . 1 . 2]" 1
2243 1 76 ILE H 1 76 ILE HG12 . . 5.170 2.813 2.771 2.854 . 0 0 "[ . 1 . 2]" 1
2244 1 76 ILE H 1 76 ILE HG13 . . 5.200 4.126 4.102 4.148 . 0 0 "[ . 1 . 2]" 1
2245 1 76 ILE H 1 76 ILE MD . . 5.070 3.764 3.713 3.795 . 0 0 "[ . 1 . 2]" 1
2246 1 76 ILE H 1 77 ALA H . . 5.340 4.264 4.242 4.291 . 0 0 "[ . 1 . 2]" 1
2247 1 76 ILE H 1 78 GLY H . . 5.300 3.795 3.608 3.856 . 0 0 "[ . 1 . 2]" 1
2248 1 76 ILE H 1 79 HIS H . . 4.560 2.770 2.676 2.837 . 0 0 "[ . 1 . 2]" 1
2249 1 76 ILE H 1 79 HIS HA . . 5.580 4.593 4.542 4.654 . 0 0 "[ . 1 . 2]" 1
2250 1 76 ILE H 1 80 PRO HA . . 5.310 3.671 3.519 3.761 . 0 0 "[ . 1 . 2]" 1
2251 1 76 ILE H 1 81 ALA H . . 5.450 4.442 4.146 4.572 . 0 0 "[ . 1 . 2]" 1
2252 1 76 ILE H 1 81 ALA MB . . 5.190 3.610 3.494 3.718 . 0 0 "[ . 1 . 2]" 1
2253 1 76 ILE HA 1 76 ILE MD . . 4.760 2.194 2.147 2.259 . 0 0 "[ . 1 . 2]" 1
2254 1 76 ILE HA 1 77 ALA H . . 4.680 2.180 2.154 2.191 . 0 0 "[ . 1 . 2]" 1
2255 1 76 ILE HA 1 77 ALA MB . . 5.630 4.071 4.037 4.105 . 0 0 "[ . 1 . 2]" 1
2256 1 76 ILE HA 1 78 GLY H . . 5.640 3.783 3.696 3.860 . 0 0 "[ . 1 . 2]" 1
2257 1 76 ILE HA 1 81 ALA MB . . 5.670 4.819 4.762 4.869 . 0 0 "[ . 1 . 2]" 1
2258 1 76 ILE HB 1 77 ALA H . . 5.570 4.227 4.167 4.263 . 0 0 "[ . 1 . 2]" 1
2259 1 76 ILE HB 1 78 GLY H . . 5.590 5.166 5.022 5.203 . 0 0 "[ . 1 . 2]" 1
2260 1 76 ILE HB 1 79 HIS H . . 5.310 4.172 4.109 4.239 . 0 0 "[ . 1 . 2]" 1
2261 1 76 ILE HB 1 81 ALA MB . . 5.280 2.856 2.747 2.948 . 0 0 "[ . 1 . 2]" 1
2262 1 76 ILE HG12 1 77 ALA H . . 5.620 5.233 5.217 5.250 . 0 0 "[ . 1 . 2]" 1
2263 1 76 ILE HG12 1 79 HIS H . . 5.780 5.434 5.317 5.504 . 0 0 "[ . 1 . 2]" 1
2264 1 76 ILE HG12 1 79 HIS QB . . 5.800 5.883 5.854 5.918 0.118 1 0 "[ . 1 . 2]" 1
2265 1 76 ILE HG12 1 81 ALA MB . . 4.550 2.248 2.172 2.282 . 0 0 "[ . 1 . 2]" 1
2266 1 76 ILE HG12 1 82 PHE H . . 5.860 5.701 5.651 5.818 . 0 0 "[ . 1 . 2]" 1
2267 1 76 ILE HG13 1 77 ALA H . . 6.000 5.627 5.606 5.640 . 0 0 "[ . 1 . 2]" 1
2268 1 76 ILE HG13 1 81 ALA H . . 6.000 5.258 4.867 5.439 . 0 0 "[ . 1 . 2]" 1
2269 1 76 ILE HG13 1 81 ALA HA . . 5.840 5.286 5.200 5.330 . 0 0 "[ . 1 . 2]" 1
2270 1 76 ILE HG13 1 81 ALA MB . . 5.270 2.406 2.184 2.494 . 0 0 "[ . 1 . 2]" 1
2271 1 76 ILE MD 1 77 ALA H . . 5.440 3.939 3.883 4.016 . 0 0 "[ . 1 . 2]" 1
2272 1 76 ILE MD 1 81 ALA MB . . 4.660 3.367 3.303 3.409 . 0 0 "[ . 1 . 2]" 1
2273 1 76 ILE MD 1 82 PHE H . . 6.000 6.029 5.990 6.128 0.128 20 0 "[ . 1 . 2]" 1
2274 1 76 ILE MG 1 77 ALA H . . 4.460 2.820 2.749 2.872 . 0 0 "[ . 1 . 2]" 1
2275 1 76 ILE MG 1 77 ALA HA . . 5.130 4.167 4.129 4.256 . 0 0 "[ . 1 . 2]" 1
2276 1 76 ILE MG 1 77 ALA MB . . 4.860 2.629 2.573 2.711 . 0 0 "[ . 1 . 2]" 1
2277 1 76 ILE MG 1 78 GLY H . . 5.560 4.693 4.635 4.719 . 0 0 "[ . 1 . 2]" 1
2278 1 77 ALA H 1 78 GLY H . . 4.850 2.898 2.888 2.911 . 0 0 "[ . 1 . 2]" 1
2279 1 77 ALA H 1 78 GLY QA . . 5.720 4.749 4.736 4.760 . 0 0 "[ . 1 . 2]" 1
2280 1 77 ALA H 1 79 HIS H . . 5.440 4.331 4.311 4.357 . 0 0 "[ . 1 . 2]" 1
2281 1 77 ALA HA 1 79 HIS H . . 5.800 4.574 4.555 4.590 . 0 0 "[ . 1 . 2]" 1
2282 1 77 ALA MB 1 78 GLY H . . 4.730 3.713 3.690 3.721 . 0 0 "[ . 1 . 2]" 1
2283 1 77 ALA MB 1 78 GLY QA . . 5.710 4.204 4.195 4.212 . 0 0 "[ . 1 . 2]" 1
2284 1 77 ALA MB 1 79 HIS H . . 5.310 3.830 3.787 3.920 . 0 0 "[ . 1 . 2]" 1
2285 1 77 ALA MB 1 79 HIS HD2 . . 5.430 3.802 3.443 5.173 . 0 0 "[ . 1 . 2]" 1
2286 1 78 GLY H 1 79 HIS H . . 4.550 2.539 2.382 2.585 . 0 0 "[ . 1 . 2]" 1
2287 1 78 GLY H 1 79 HIS HA . . 5.580 5.137 5.054 5.169 . 0 0 "[ . 1 . 2]" 1
2288 1 78 GLY H 1 79 HIS HD2 . . 6.000 5.159 4.871 6.350 0.350 1 0 "[ . 1 . 2]" 1
2289 1 78 GLY H 1 79 HIS QB . . 5.390 4.786 4.357 4.891 . 0 0 "[ . 1 . 2]" 1
2290 1 78 GLY QA 1 79 HIS H . . 4.660 2.975 2.941 2.990 . 0 0 "[ . 1 . 2]" 1
2291 1 78 GLY QA 1 79 HIS HA . . 5.610 4.070 4.061 4.099 . 0 0 "[ . 1 . 2]" 1
2292 1 79 HIS H 1 79 HIS HD2 . . 5.120 3.671 3.481 4.219 . 0 0 "[ . 1 . 2]" 1
2293 1 79 HIS H 1 80 PRO HD2 . . 5.710 4.840 4.810 4.861 . 0 0 "[ . 1 . 2]" 1
2294 1 79 HIS H 1 80 PRO HD3 . . 5.730 4.949 4.835 4.985 . 0 0 "[ . 1 . 2]" 1
2295 1 79 HIS HA 1 80 PRO HD2 . . 4.630 2.338 2.265 2.373 . 0 0 "[ . 1 . 2]" 1
2296 1 79 HIS HA 1 80 PRO HD3 . . 4.590 2.370 2.343 2.398 . 0 0 "[ . 1 . 2]" 1
2297 1 79 HIS HA 1 80 PRO HG2 . . 5.550 4.507 4.455 4.531 . 0 0 "[ . 1 . 2]" 1
2298 1 79 HIS HA 1 80 PRO HG3 . . 5.550 4.543 4.510 4.559 . 0 0 "[ . 1 . 2]" 1
2299 1 79 HIS HA 1 80 PRO QB . . 5.560 4.552 4.527 4.571 . 0 0 "[ . 1 . 2]" 1
2300 1 79 HIS HB2 1 80 PRO HD2 . . 5.230 3.775 3.543 3.831 . 0 0 "[ . 1 . 2]" 1
2301 1 79 HIS HB3 1 80 PRO HD2 . . 5.230 2.438 2.204 4.178 . 0 0 "[ . 1 . 2]" 1
2302 1 79 HIS HE1 1 80 PRO HD2 . . 5.860 5.212 3.829 5.576 . 0 0 "[ . 1 . 2]" 1
2303 1 79 HIS QB 1 80 PRO HD2 . . 4.850 2.344 2.189 3.369 . 0 0 "[ . 1 . 2]" 1
2304 1 79 HIS QB 1 80 PRO HD3 . . 5.030 3.657 3.567 4.225 . 0 0 "[ . 1 . 2]" 1
2305 1 79 HIS QB 1 80 PRO QG . . 5.230 3.796 3.648 4.809 . 0 0 "[ . 1 . 2]" 1
2306 1 80 PRO HA 1 81 ALA H . . 4.400 2.245 2.210 2.270 . 0 0 "[ . 1 . 2]" 1
2307 1 80 PRO HA 1 81 ALA HA . . 5.820 4.523 4.492 4.537 . 0 0 "[ . 1 . 2]" 1
2308 1 80 PRO HA 1 81 ALA MB . . 5.290 3.884 3.854 3.948 . 0 0 "[ . 1 . 2]" 1
2309 1 80 PRO HD2 1 81 ALA MB . . 5.860 5.706 5.564 5.780 . 0 0 "[ . 1 . 2]" 1
2310 1 80 PRO HG2 1 81 ALA H . . 5.860 4.706 4.647 4.811 . 0 0 "[ . 1 . 2]" 1
2311 1 80 PRO HG3 1 81 ALA H . . 5.860 5.450 5.386 5.583 . 0 0 "[ . 1 . 2]" 1
2312 1 80 PRO QB 1 81 ALA H . . 4.770 2.958 2.872 3.137 . 0 0 "[ . 1 . 2]" 1
2313 1 80 PRO QB 1 81 ALA HA . . 5.770 4.096 4.058 4.141 . 0 0 "[ . 1 . 2]" 1
2314 1 80 PRO QB 1 82 PHE QE . . 5.800 4.678 4.373 5.800 0.000 20 0 "[ . 1 . 2]" 1
2315 1 80 PRO QG 1 81 ALA H . . 5.570 4.441 4.389 4.543 . 0 0 "[ . 1 . 2]" 1
2316 1 81 ALA H 1 82 PHE H . . 5.510 4.391 4.382 4.412 . 0 0 "[ . 1 . 2]" 1
2317 1 81 ALA H 1 82 PHE HA . . 6.000 4.685 4.660 4.715 . 0 0 "[ . 1 . 2]" 1
2318 1 81 ALA H 1 82 PHE QD . . 5.800 5.115 4.961 5.751 . 0 0 "[ . 1 . 2]" 1
2319 1 81 ALA HA 1 82 PHE H . . 4.670 2.533 2.347 2.569 . 0 0 "[ . 1 . 2]" 1
2320 1 81 ALA HA 1 82 PHE HA . . 5.720 4.507 4.349 4.543 . 0 0 "[ . 1 . 2]" 1
2321 1 81 ALA HA 1 82 PHE QD . . 5.380 4.066 3.949 4.402 . 0 0 "[ . 1 . 2]" 1
2322 1 81 ALA MB 1 82 PHE H . . 4.660 2.261 2.218 2.492 . 0 0 "[ . 1 . 2]" 1
2323 1 81 ALA MB 1 82 PHE HA . . 5.560 4.125 4.071 4.262 . 0 0 "[ . 1 . 2]" 1
2324 1 81 ALA MB 1 82 PHE HB2 . . 5.530 4.642 4.478 4.707 . 0 0 "[ . 1 . 2]" 1
2325 1 81 ALA MB 1 82 PHE HB3 . . 5.860 5.421 5.407 5.453 . 0 0 "[ . 1 . 2]" 1
2326 1 81 ALA MB 1 82 PHE QD . . 5.490 4.489 4.403 4.908 . 0 0 "[ . 1 . 2]" 1
2327 1 81 ALA MB 1 83 VAL H . . 5.860 5.370 5.316 5.586 . 0 0 "[ . 1 . 2]" 1
2328 1 82 PHE H 1 82 PHE QD . . 5.060 3.095 2.931 3.254 . 0 0 "[ . 1 . 2]" 1
2329 1 82 PHE H 1 82 PHE QE . . 5.800 4.638 4.525 5.022 . 0 0 "[ . 1 . 2]" 1
2330 1 82 PHE H 1 83 VAL H . . 5.440 4.459 4.420 4.651 . 0 0 "[ . 1 . 2]" 1
2331 1 82 PHE HA 1 82 PHE QE . . 5.490 4.835 4.401 4.904 . 0 0 "[ . 1 . 2]" 1
2332 1 82 PHE HA 1 83 VAL H . . 4.440 2.373 2.336 2.405 . 0 0 "[ . 1 . 2]" 1
2333 1 82 PHE HA 1 83 VAL HB . . 5.630 4.472 4.268 4.675 . 0 0 "[ . 1 . 2]" 1
2334 1 82 PHE HA 1 83 VAL QG . . 5.700 3.580 3.218 3.981 . 0 0 "[ . 1 . 2]" 1
2335 1 82 PHE HB2 1 83 VAL H . . 5.400 3.484 3.373 3.845 . 0 0 "[ . 1 . 2]" 1
2336 1 82 PHE HB3 1 83 VAL H . . 5.100 2.751 2.516 2.863 . 0 0 "[ . 1 . 2]" 1
2337 1 82 PHE HB3 1 83 VAL HB . . 5.750 5.605 5.211 5.735 . 0 0 "[ . 1 . 2]" 1
2338 1 82 PHE QD 1 83 VAL H . . 5.290 4.316 3.232 4.448 . 0 0 "[ . 1 . 2]" 1
2339 1 83 VAL HA 1 84 ASN HA . . 5.730 4.501 4.475 4.520 . 0 0 "[ . 1 . 2]" 1
2340 1 83 VAL HA 1 84 ASN QB . . 5.650 3.983 3.768 4.344 . 0 0 "[ . 1 . 2]" 1
2341 1 83 VAL MG1 1 84 ASN H . . 5.770 3.024 2.233 3.675 . 0 0 "[ . 1 . 2]" 1
2342 1 83 VAL MG2 1 84 ASN H . . 5.770 3.014 2.151 4.038 . 0 0 "[ . 1 . 2]" 1
2343 1 83 VAL QG 1 84 ASN H . . 5.460 2.257 2.131 2.392 . 0 0 "[ . 1 . 2]" 1
2344 1 83 VAL QG 1 84 ASN QD . . 5.780 5.387 4.794 5.825 0.045 5 0 "[ . 1 . 2]" 1
2345 1 83 VAL QG 1 85 TYR H . . 5.840 4.762 4.642 4.915 . 0 0 "[ . 1 . 2]" 1
2346 1 84 ASN HA 1 85 TYR H . . 4.420 2.537 2.501 2.560 . 0 0 "[ . 1 . 2]" 1
2347 1 84 ASN HA 1 85 TYR HA . . 5.440 4.381 4.349 4.413 . 0 0 "[ . 1 . 2]" 1
2348 1 84 ASN QB 1 85 TYR H . . 4.770 2.919 2.375 3.316 . 0 0 "[ . 1 . 2]" 1
2349 1 84 ASN QD 1 85 TYR H . . 5.610 4.260 3.871 5.067 . 0 0 "[ . 1 . 2]" 1
2350 1 85 TYR H 1 85 TYR QD . . 4.650 2.708 2.474 2.886 . 0 0 "[ . 1 . 2]" 1
2351 1 85 TYR H 1 85 TYR QE . . 5.340 4.279 4.037 4.637 . 0 0 "[ . 1 . 2]" 1
2352 1 85 TYR H 1 86 SER H . . 5.730 4.667 4.648 4.692 . 0 0 "[ . 1 . 2]" 1
2353 1 85 TYR HB3 1 86 SER H . . 5.730 2.826 2.693 2.925 . 0 0 "[ . 1 . 2]" 1
2354 1 85 TYR QD 1 86 SER H . . 5.590 3.937 3.423 4.206 . 0 0 "[ . 1 . 2]" 1
2355 1 86 SER HA 1 87 THR MG . . 5.710 3.710 3.401 4.239 . 0 0 "[ . 1 . 2]" 1
2356 1 86 SER QB 1 87 THR HA . . 5.700 4.868 4.804 4.907 . 0 0 "[ . 1 . 2]" 1
2357 1 86 SER QB 1 88 SER H . . 5.580 2.884 2.727 3.079 . 0 0 "[ . 1 . 2]" 1
2358 1 87 THR HB 1 88 SER H . . 5.620 4.460 4.343 4.550 . 0 0 "[ . 1 . 2]" 1
2359 1 87 THR MG 1 88 SER H . . 5.730 3.701 3.096 4.069 . 0 0 "[ . 1 . 2]" 1
2360 1 87 THR MG 1 88 SER HA . . 6.000 5.053 3.935 5.651 . 0 0 "[ . 1 . 2]" 1
2361 1 87 THR MG 1 88 SER QB . . 5.460 4.282 2.990 5.168 . 0 0 "[ . 1 . 2]" 1
2362 1 88 SER H 1 89 GLN H . . 5.860 4.489 4.438 4.616 . 0 0 "[ . 1 . 2]" 1
2363 1 88 SER H 1 90 LYS H . . 5.730 4.885 4.675 5.221 . 0 0 "[ . 1 . 2]" 1
2364 1 88 SER HA 1 89 GLN H . . 4.540 2.325 2.239 2.393 . 0 0 "[ . 1 . 2]" 1
2365 1 88 SER HA 1 90 LYS H . . 5.440 4.006 3.810 4.122 . 0 0 "[ . 1 . 2]" 1
2366 1 88 SER HA 1 90 LYS HG2 . . 5.860 5.758 5.497 6.104 0.244 15 0 "[ . 1 . 2]" 1
2367 1 88 SER QB 1 89 GLN H . . 4.910 3.367 2.612 3.517 . 0 0 "[ . 1 . 2]" 1
2368 1 88 SER QB 1 89 GLN QG . . 5.800 5.019 4.636 5.104 . 0 0 "[ . 1 . 2]" 1
2369 1 88 SER QB 1 90 LYS H . . 4.740 3.130 2.557 3.358 . 0 0 "[ . 1 . 2]" 1
2370 1 88 SER QB 1 90 LYS HA . . 5.800 5.282 4.894 5.403 . 0 0 "[ . 1 . 2]" 1
2371 1 88 SER QB 1 91 ILE H . . 6.000 5.833 5.548 6.014 0.014 19 0 "[ . 1 . 2]" 1
2372 1 89 GLN H 1 89 GLN HE21 . . 5.500 4.454 4.096 4.840 . 0 0 "[ . 1 . 2]" 1
2373 1 89 GLN H 1 89 GLN HE22 . . 5.860 5.544 5.301 5.795 . 0 0 "[ . 1 . 2]" 1
2374 1 89 GLN H 1 89 GLN HG2 . . 5.180 2.489 2.351 2.682 . 0 0 "[ . 1 . 2]" 1
2375 1 89 GLN H 1 89 GLN HG3 . . 5.180 3.750 3.636 3.896 . 0 0 "[ . 1 . 2]" 1
2376 1 89 GLN H 1 89 GLN QG . . 4.800 2.454 2.324 2.637 . 0 0 "[ . 1 . 2]" 1
2377 1 89 GLN H 1 90 LYS H . . 4.690 2.553 2.325 2.651 . 0 0 "[ . 1 . 2]" 1
2378 1 89 GLN H 1 90 LYS HA . . 5.860 5.195 5.019 5.266 . 0 0 "[ . 1 . 2]" 1
2379 1 89 GLN H 1 90 LYS QB . . 6.000 4.866 4.405 4.952 . 0 0 "[ . 1 . 2]" 1
2380 1 89 GLN H 1 90 LYS QG . . 5.630 3.745 3.569 3.913 . 0 0 "[ . 1 . 2]" 1
2381 1 89 GLN HA 1 89 GLN HE21 . . 5.570 3.879 3.643 4.106 . 0 0 "[ . 1 . 2]" 1
2382 1 89 GLN HA 1 89 GLN HE22 . . 6.000 3.965 3.841 4.089 . 0 0 "[ . 1 . 2]" 1
2383 1 89 GLN HB2 1 90 LYS H . . 5.550 3.567 3.511 3.655 . 0 0 "[ . 1 . 2]" 1
2384 1 89 GLN HB3 1 90 LYS H . . 5.550 4.282 4.222 4.334 . 0 0 "[ . 1 . 2]" 1
2385 1 89 GLN QB 1 90 LYS H . . 5.160 3.399 3.352 3.469 . 0 0 "[ . 1 . 2]" 1
2386 1 89 GLN QB 1 90 LYS HB3 . . 5.610 3.880 3.698 5.185 . 0 0 "[ . 1 . 2]" 1
2387 1 89 GLN QB 1 90 LYS QD . . 5.720 4.481 3.912 5.063 . 0 0 "[ . 1 . 2]" 1
2388 1 89 GLN QB 1 90 LYS QE . . 5.320 4.424 3.342 5.360 0.040 7 0 "[ . 1 . 2]" 1
2389 1 90 LYS H 1 90 LYS HG3 . . 5.180 3.347 3.087 4.414 . 0 0 "[ . 1 . 2]" 1
2390 1 90 LYS H 1 90 LYS QD . . 5.860 4.507 4.170 4.625 . 0 0 "[ . 1 . 2]" 1
2391 1 90 LYS H 1 91 ILE H . . 5.480 4.345 4.292 4.384 . 0 0 "[ . 1 . 2]" 1
2392 1 90 LYS HA 1 90 LYS QE . . 5.780 4.988 4.181 5.697 . 0 0 "[ . 1 . 2]" 1
2393 1 90 LYS HA 1 91 ILE H . . 4.280 2.275 2.224 2.340 . 0 0 "[ . 1 . 2]" 1
2394 1 90 LYS HA 1 91 ILE HB . . 5.570 4.674 4.597 4.763 . 0 0 "[ . 1 . 2]" 1
2395 1 90 LYS HA 1 91 ILE MD . . 5.800 5.015 4.950 5.158 . 0 0 "[ . 1 . 2]" 1
2396 1 90 LYS HB2 1 91 ILE H . . 5.130 2.820 2.619 3.925 . 0 0 "[ . 1 . 2]" 1
2397 1 90 LYS HB3 1 90 LYS QE . . 4.320 3.347 1.952 4.209 . 0 0 "[ . 1 . 2]" 1
2398 1 90 LYS HB3 1 91 ILE H . . 5.250 3.905 2.864 4.063 . 0 0 "[ . 1 . 2]" 1
2399 1 90 LYS QD 1 91 ILE H . . 5.860 4.684 3.569 5.374 . 0 0 "[ . 1 . 2]" 1
2400 1 90 LYS QG 1 91 ILE H . . 5.580 3.864 3.652 4.526 . 0 0 "[ . 1 . 2]" 1
2401 1 91 ILE H 1 91 ILE MD . . 5.310 3.738 3.622 3.903 . 0 0 "[ . 1 . 2]" 1
2402 1 91 ILE HB 1 92 SER QB . . 5.860 5.542 5.281 5.780 . 0 0 "[ . 1 . 2]" 1
2403 1 91 ILE MG 1 92 SER HA . . 5.640 4.083 3.997 4.181 . 0 0 "[ . 1 . 2]" 1
2404 1 91 ILE MG 1 92 SER QB . . 5.170 3.471 3.166 3.639 . 0 0 "[ . 1 . 2]" 1
2405 1 91 ILE MG 1 93 ARG H . . 5.800 4.268 1.685 4.937 . 0 0 "[ . 1 . 2]" 1
2406 1 91 ILE MG 1 93 ARG HD2 . . 5.860 5.357 4.042 5.901 0.041 17 0 "[ . 1 . 2]" 1
2407 1 91 ILE MG 1 93 ARG HD3 . . 5.860 4.474 3.539 5.853 . 0 0 "[ . 1 . 2]" 1
2408 1 91 ILE MG 1 93 ARG QG . . 5.590 4.199 2.644 5.208 . 0 0 "[ . 1 . 2]" 1
2409 1 92 SER HA 1 93 ARG H . . 4.320 2.379 2.132 3.551 . 0 0 "[ . 1 . 2]" 1
2410 1 92 SER HA 1 93 ARG QB . . 5.550 4.391 4.179 4.556 . 0 0 "[ . 1 . 2]" 1
2411 1 92 SER HA 1 93 ARG QG . . 5.330 3.900 3.328 5.214 . 0 0 "[ . 1 . 2]" 1
2412 1 92 SER QB 1 93 ARG H . . 4.820 3.495 2.817 3.912 . 0 0 "[ . 1 . 2]" 1
2413 1 92 SER QB 1 93 ARG QB . . 5.620 5.065 4.529 5.513 . 0 0 "[ . 1 . 2]" 1
2414 1 92 SER QB 1 93 ARG QG . . 5.640 5.067 4.615 5.763 0.123 5 0 "[ . 1 . 2]" 1
2415 1 93 ARG H 1 93 ARG QD . . 5.430 4.034 2.531 5.071 . 0 0 "[ . 1 . 2]" 1
2416 1 93 ARG H 1 93 ARG QG . . 5.040 2.539 2.008 3.668 . 0 0 "[ . 1 . 2]" 1
2417 1 93 ARG H 1 94 PRO HD2 . . 5.660 4.780 3.052 5.317 . 0 0 "[ . 1 . 2]" 1
2418 1 93 ARG H 1 96 ASP QB . . 5.630 4.008 1.733 5.664 0.034 19 0 "[ . 1 . 2]" 1
2419 1 93 ARG HB2 1 94 PRO HD2 . . 5.290 3.220 2.040 4.847 . 0 0 "[ . 1 . 2]" 1
2420 1 93 ARG HB3 1 94 PRO HD2 . . 5.290 2.693 1.986 4.383 . 0 0 "[ . 1 . 2]" 1
2421 1 93 ARG QB 1 94 PRO HD2 . . 4.690 2.249 1.976 4.076 . 0 0 "[ . 1 . 2]" 1
2422 1 93 ARG QB 1 95 GLY H . . 5.800 2.464 1.904 3.581 . 0 0 "[ . 1 . 2]" 1
2423 1 93 ARG QB 1 95 GLY QA . . 5.800 3.879 3.569 4.566 . 0 0 "[ . 1 . 2]" 1
2424 1 93 ARG QB 1 96 ASP H . . 5.350 3.622 2.222 5.306 . 0 0 "[ . 1 . 2]" 1
2425 1 93 ARG QB 1 96 ASP HB2 . . 5.620 3.887 2.026 5.742 0.122 2 0 "[ . 1 . 2]" 1
2426 1 93 ARG QB 1 96 ASP HB3 . . 5.620 4.086 2.408 5.814 0.194 10 0 "[ . 1 . 2]" 1
2427 1 93 ARG QB 1 96 ASP QB . . 5.300 3.224 2.001 4.525 . 0 0 "[ . 1 . 2]" 1
2428 1 93 ARG QD 1 94 PRO HD2 . . 5.800 3.824 2.537 5.779 . 0 0 "[ . 1 . 2]" 1
2429 1 93 ARG QD 1 96 ASP HA . . 5.800 4.824 2.499 5.894 0.094 12 0 "[ . 1 . 2]" 1
2430 1 93 ARG QD 1 96 ASP QB . . 4.970 4.113 2.731 5.037 0.067 1 0 "[ . 1 . 2]" 1
2431 1 93 ARG QG 1 94 PRO HD2 . . 6.000 3.779 2.501 4.368 . 0 0 "[ . 1 . 2]" 1
2432 1 93 ARG QG 1 94 PRO QG . . 5.810 5.043 4.162 5.694 . 0 0 "[ . 1 . 2]" 1
2433 1 93 ARG QG 1 96 ASP H . . 5.630 4.208 2.225 5.667 0.037 5 0 "[ . 1 . 2]" 1
2434 1 93 ARG QG 1 96 ASP QB . . 5.490 3.113 2.107 4.609 . 0 0 "[ . 1 . 2]" 1
2435 1 94 PRO HA 1 95 GLY QA . . 5.410 4.331 4.178 4.480 . 0 0 "[ . 1 . 2]" 1
2436 1 94 PRO HB2 1 95 GLY H . . 5.230 3.771 3.028 4.399 . 0 0 "[ . 1 . 2]" 1
2437 1 94 PRO HB2 1 95 GLY QA . . 5.510 4.175 3.903 4.420 . 0 0 "[ . 1 . 2]" 1
2438 1 94 PRO HB3 1 95 GLY H . . 5.550 4.387 4.253 4.701 . 0 0 "[ . 1 . 2]" 1
2439 1 94 PRO HB3 1 95 GLY QA . . 5.790 5.278 4.932 5.407 . 0 0 "[ . 1 . 2]" 1
2440 1 94 PRO HD2 1 95 GLY H . . 4.440 2.766 2.517 3.577 . 0 0 "[ . 1 . 2]" 1
2441 1 94 PRO HD2 1 95 GLY QA . . 5.860 4.627 4.323 4.890 . 0 0 "[ . 1 . 2]" 1
2442 1 94 PRO HD3 1 95 GLY H . . 5.250 3.884 3.719 4.365 . 0 0 "[ . 1 . 2]" 1
2443 1 95 GLY H 1 96 ASP H . . 5.160 2.968 1.671 4.143 . 0 0 "[ . 1 . 2]" 1
2444 1 95 GLY H 1 97 SER H . . 5.700 4.688 3.408 5.461 . 0 0 "[ . 1 . 2]" 1
2445 1 95 GLY QA 1 96 ASP H . . 4.550 2.648 2.150 2.992 . 0 0 "[ . 1 . 2]" 1
2446 1 95 GLY QA 1 96 ASP HA . . 5.330 4.076 3.974 4.208 . 0 0 "[ . 1 . 2]" 1
2447 1 95 GLY QA 1 96 ASP QB . . 5.550 4.393 3.816 4.734 . 0 0 "[ . 1 . 2]" 1
2448 1 96 ASP H 1 97 SER H . . 4.940 2.550 2.261 2.861 . 0 0 "[ . 1 . 2]" 1
2449 1 96 ASP H 1 97 SER HA . . 5.820 4.885 4.343 5.351 . 0 0 "[ . 1 . 2]" 1
2450 1 96 ASP HA 1 97 SER H . . 4.960 3.322 3.137 3.527 . 0 0 "[ . 1 . 2]" 1
2451 1 96 ASP QB 1 97 SER HA . . 5.800 4.771 3.968 5.394 . 0 0 "[ . 1 . 2]" 1
2452 1 97 SER H 1 98 ASP H . . 5.350 3.731 2.576 4.673 . 0 0 "[ . 1 . 2]" 1
2453 1 97 SER HA 1 100 SER H . . 6.000 5.501 4.344 6.295 0.295 3 0 "[ . 1 . 2]" 1
2454 1 97 SER HA 1 98 ASP H . . 4.660 2.606 2.143 3.352 . 0 0 "[ . 1 . 2]" 1
2455 1 97 SER HA 1 98 ASP QB . . 5.690 4.426 3.762 5.149 . 0 0 "[ . 1 . 2]" 1
2456 1 97 SER QB 1 98 ASP H . . 5.220 3.498 1.988 4.049 . 0 0 "[ . 1 . 2]" 1
2457 1 97 SER QB 1 98 ASP QB . . 5.800 4.881 3.757 5.656 . 0 0 "[ . 1 . 2]" 1
2458 1 98 ASP HA 1 101 ARG HB2 . . 5.830 4.653 2.384 5.851 0.021 4 0 "[ . 1 . 2]" 1
2459 1 98 ASP HA 1 101 ARG HB3 . . 5.830 4.795 2.617 5.914 0.084 9 0 "[ . 1 . 2]" 1
2460 1 98 ASP QB 1 101 ARG QB . . 4.770 3.311 2.055 4.809 0.039 6 0 "[ . 1 . 2]" 1
2461 1 98 ASP QB 1 101 ARG QD . . 5.300 4.165 1.997 5.467 0.167 3 0 "[ . 1 . 2]" 1
2462 1 98 ASP QB 1 101 ARG QG . . 5.720 4.680 2.862 5.829 0.109 3 0 "[ . 1 . 2]" 1
2463 1 99 ASP HA 1 100 SER QB . . 5.850 4.716 3.850 5.508 . 0 0 "[ . 1 . 2]" 1
2464 1 99 ASP QB 1 100 SER H . . 5.200 3.518 2.544 4.018 . 0 0 "[ . 1 . 2]" 1
2465 1 99 ASP QB 1 100 SER HA . . 6.000 4.755 4.094 5.644 . 0 0 "[ . 1 . 2]" 1
2466 1 99 ASP QB 1 100 SER QB . . 5.440 4.212 3.611 5.132 . 0 0 "[ . 1 . 2]" 1
2467 1 100 SER H 1 101 ARG H . . 4.910 2.392 1.669 2.951 . 0 0 "[ . 1 . 2]" 1
2468 1 100 SER HA 1 101 ARG H . . 4.830 3.266 2.855 3.591 . 0 0 "[ . 1 . 2]" 1
2469 1 100 SER QB 1 101 ARG H . . 5.340 3.462 2.612 3.875 . 0 0 "[ . 1 . 2]" 1
2470 1 100 SER QB 1 101 ARG QG . . 5.860 5.475 3.348 6.043 0.183 5 0 "[ . 1 . 2]" 1
2471 1 101 ARG H 1 101 ARG QD . . 5.700 4.209 3.537 4.775 . 0 0 "[ . 1 . 2]" 1
2472 1 101 ARG H 1 102 SER H . . 5.480 3.793 2.272 4.660 . 0 0 "[ . 1 . 2]" 1
2473 1 101 ARG HA 1 102 SER QB . . 5.530 4.520 3.868 5.407 . 0 0 "[ . 1 . 2]" 1
2474 1 101 ARG HB2 1 102 SER H . . 5.780 4.036 2.409 4.535 . 0 0 "[ . 1 . 2]" 1
2475 1 101 ARG HB3 1 102 SER H . . 5.780 3.549 2.534 4.505 . 0 0 "[ . 1 . 2]" 1
2476 1 101 ARG QG 1 102 SER H . . 5.760 3.343 2.175 4.808 . 0 0 "[ . 1 . 2]" 1
2477 1 101 ARG QG 1 102 SER HA . . 5.650 4.494 3.600 5.708 0.058 11 0 "[ . 1 . 2]" 1
2478 1 101 ARG QG 1 102 SER QB . . 5.860 4.178 2.524 5.397 . 0 0 "[ . 1 . 2]" 1
2479 1 102 SER H 1 103 VAL H . . 5.220 3.774 2.796 4.670 . 0 0 "[ . 1 . 2]" 1
2480 1 102 SER HA 1 103 VAL H . . 4.700 2.721 2.251 3.350 . 0 0 "[ . 1 . 2]" 1
2481 1 102 SER HA 1 104 ASN H . . 5.860 3.999 3.122 5.937 0.077 7 0 "[ . 1 . 2]" 1
2482 1 102 SER QB 1 103 VAL H . . 5.360 3.360 2.055 3.946 . 0 0 "[ . 1 . 2]" 1
2483 1 102 SER QB 1 103 VAL QG . . 5.840 3.505 2.387 4.593 . 0 0 "[ . 1 . 2]" 1
2484 1 102 SER QB 1 105 SER H . . 5.860 4.657 3.211 5.829 . 0 0 "[ . 1 . 2]" 1
2485 1 103 VAL H 1 104 ASN H . . 5.400 3.078 1.988 4.620 . 0 0 "[ . 1 . 2]" 1
2486 1 103 VAL H 1 105 SER H . . 5.260 4.079 3.487 5.307 0.047 12 0 "[ . 1 . 2]" 1
2487 1 103 VAL HA 1 105 SER H . . 5.540 3.976 3.440 4.695 . 0 0 "[ . 1 . 2]" 1
2488 1 103 VAL HB 1 104 ASN HB2 . . 6.000 5.015 3.601 6.079 0.079 18 0 "[ . 1 . 2]" 1
2489 1 103 VAL HB 1 104 ASN HB3 . . 6.000 5.483 4.182 6.125 0.125 8 0 "[ . 1 . 2]" 1
2490 1 103 VAL QG 1 104 ASN H . . 5.030 3.488 2.435 3.817 . 0 0 "[ . 1 . 2]" 1
2491 1 103 VAL QG 1 104 ASN QB . . 5.340 3.815 2.818 4.738 . 0 0 "[ . 1 . 2]" 1
2492 1 104 ASN H 1 105 SER H . . 5.460 2.119 1.630 3.111 . 0 0 "[ . 1 . 2]" 1
2493 1 104 ASN QB 1 105 SER H . . 5.450 3.710 3.181 4.086 . 0 0 "[ . 1 . 2]" 1
2494 2 1 C H1' 2 1 C H6 . . 4.000 3.735 3.717 3.742 . 0 0 "[ . 1 . 2]" 1
2495 2 1 C H1' 2 2 A Q5' . . 5.000 4.673 4.200 4.892 . 0 0 "[ . 1 . 2]" 1
2496 2 1 C H1' 2 1 C H2' . . 3.200 3.013 2.990 3.024 . 0 0 "[ . 1 . 2]" 1
2497 2 1 C H2' 2 1 C H6 . . 3.200 2.104 1.957 2.429 . 0 0 "[ . 1 . 2]" 1
2498 2 1 C H2' 2 2 A H2 . . 6.000 6.047 5.962 6.095 0.095 14 0 "[ . 1 . 2]" 1
2499 2 1 C H1' 2 1 C H3' . . 4.000 3.853 3.810 3.918 . 0 0 "[ . 1 . 2]" 1
2500 2 1 C H3' 2 1 C H6 . . 4.500 4.024 3.824 4.108 . 0 0 "[ . 1 . 2]" 1
2501 2 1 C H1' 2 1 C H4' . . 4.000 3.525 3.483 3.622 . 0 0 "[ . 1 . 2]" 1
2502 2 1 C H4' 2 1 C H6 . . 4.500 4.443 4.182 4.563 0.063 18 0 "[ . 1 . 2]" 1
2503 2 1 C H1' 2 1 C H5' . . 5.000 4.867 4.531 4.925 . 0 0 "[ . 1 . 2]" 1
2504 2 1 C H1' 2 1 C H5'' . . 5.000 4.147 4.065 5.053 0.053 17 0 "[ . 1 . 2]" 1
2505 2 1 C H5 2 1 C H5' . . 6.000 5.958 4.833 6.053 0.053 20 0 "[ . 1 . 2]" 1
2506 2 1 C H5 2 1 C H5'' . . 6.000 4.362 4.133 6.117 0.117 17 0 "[ . 1 . 2]" 1
2507 2 1 C H5' 2 1 C H6 . . 3.800 3.706 2.773 3.784 . 0 0 "[ . 1 . 2]" 1
2508 2 1 C H5'' 2 1 C H6 . . 3.800 2.133 1.982 3.877 0.077 17 0 "[ . 1 . 2]" 1
2509 2 2 A H1' 2 2 A H2 . . 5.500 5.234 4.661 5.484 . 0 0 "[ . 1 . 2]" 1
2510 2 2 A H1' 2 2 A H8 . . 4.000 3.407 3.231 3.782 . 0 0 "[ . 1 . 2]" 1
2511 2 2 A H1' 2 2 A H2' . . 4.000 2.943 2.702 3.030 . 0 0 "[ . 1 . 2]" 1
2512 2 2 A H2' 2 2 A H8 . . 5.000 2.437 2.046 2.652 . 0 0 "[ . 1 . 2]" 1
2513 2 2 A H2' 2 3 C H5 . . 5.000 4.022 2.176 4.644 . 0 0 "[ . 1 . 2]" 1
2514 2 2 A H2' 2 3 C H6 . . 5.000 4.327 2.181 5.063 0.063 12 0 "[ . 1 . 2]" 1
2515 2 2 A H1' 2 2 A H3' . . 4.000 3.864 3.768 4.021 0.021 18 0 "[ . 1 . 2]" 1
2516 2 2 A H3' 2 2 A H8 . . 5.000 4.170 2.287 4.817 . 0 0 "[ . 1 . 2]" 1
2517 2 2 A H3' 2 3 C H5 . . 6.000 5.425 4.398 5.775 . 0 0 "[ . 1 . 2]" 1
2518 2 2 A H3' 2 3 C H6 . . 5.000 4.892 4.139 5.098 0.098 20 0 "[ . 1 . 2]" 1
2519 2 2 A H1' 2 2 A H4' . . 4.000 3.619 3.431 3.963 . 0 0 "[ . 1 . 2]" 1
2520 2 2 A H4' 2 3 C H6 . . 6.000 5.293 4.766 6.053 0.053 16 0 "[ . 1 . 2]" 1
2521 2 2 A H1' 2 2 A H5' . . 5.000 4.768 4.581 5.022 0.022 15 0 "[ . 1 . 2]" 1
2522 2 2 A H1' 2 2 A H5'' . . 6.000 4.003 3.787 4.113 . 0 0 "[ . 1 . 2]" 1
2523 2 2 A H5' 2 2 A H8 . . 5.500 4.895 2.655 5.562 0.062 12 0 "[ . 1 . 2]" 1
2524 2 2 A H5'' 2 2 A H8 . . 6.000 4.081 2.778 4.570 . 0 0 "[ . 1 . 2]" 1
2525 2 2 A H8 2 3 C H5 . . 4.000 3.460 2.719 4.035 0.035 18 0 "[ . 1 . 2]" 1
2526 2 2 A H8 2 3 C H6 . . 5.000 4.737 3.931 5.069 0.069 19 0 "[ . 1 . 2]" 1
2527 2 2 A H2 2 2 A Q5' . . 5.500 5.347 5.088 5.518 0.018 4 0 "[ . 1 . 2]" 1
2528 2 3 C H1' 2 3 C H6 . . 4.000 3.728 3.690 3.748 . 0 0 "[ . 1 . 2]" 1
2529 2 3 C H1' 2 4 A H8 . . 4.000 2.848 2.485 3.239 . 0 0 "[ . 1 . 2]" 1
2530 2 3 C H1' 2 3 C H2' . . 4.000 3.017 3.010 3.025 . 0 0 "[ . 1 . 2]" 1
2531 2 3 C H2' 2 3 C H6 . . 2.800 2.435 1.973 2.750 . 0 0 "[ . 1 . 2]" 1
2532 2 3 C H2' 2 4 A H8 . . 6.000 5.327 5.052 5.627 . 0 0 "[ . 1 . 2]" 1
2533 2 3 C H3' 2 3 C H6 . . 4.500 4.179 3.795 4.362 . 0 0 "[ . 1 . 2]" 1
2534 2 3 C H3' 2 4 A H8 . . 6.000 4.955 4.720 5.144 . 0 0 "[ . 1 . 2]" 1
2535 2 3 C H1' 2 3 C H4' . . 4.000 3.460 3.323 3.522 . 0 0 "[ . 1 . 2]" 1
2536 2 3 C H4' 2 4 A H8 . . 5.000 4.006 3.338 4.259 . 0 0 "[ . 1 . 2]" 1
2537 2 3 C H1' 2 3 C H5' . . 6.000 4.867 4.620 4.938 . 0 0 "[ . 1 . 2]" 1
2538 2 3 C H1' 2 3 C H5'' . . 6.000 4.184 4.115 5.010 . 0 0 "[ . 1 . 2]" 1
2539 2 3 C H5' 2 3 C H6 . . 4.000 3.828 3.680 4.010 0.010 17 0 "[ . 1 . 2]" 1
2540 2 3 C H5'' 2 3 C H6 . . 4.000 2.208 1.964 4.370 0.370 15 0 "[ . 1 . 2]" 1
2541 2 4 A H1' 2 4 A H2 . . 5.500 5.133 5.008 5.251 . 0 0 "[ . 1 . 2]" 1
2542 2 4 A H1' 2 4 A H8 . . 4.000 3.463 3.378 3.555 . 0 0 "[ . 1 . 2]" 1
2543 2 4 A H1' 2 5 C H6 . . 5.000 4.975 4.698 5.111 0.111 10 0 "[ . 1 . 2]" 1
2544 2 4 A H1' 2 4 A H2' . . 2.800 2.763 2.736 2.805 0.005 8 0 "[ . 1 . 2]" 1
2545 2 4 A H2 2 4 A H2' . . 6.000 3.872 3.739 4.087 . 0 0 "[ . 1 . 2]" 1
2546 2 4 A H2' 2 4 A H8 . . 4.500 4.494 4.302 4.616 0.116 14 0 "[ . 1 . 2]" 1
2547 2 4 A H2 2 5 C H1' . . 4.000 3.575 2.901 4.049 0.049 4 0 "[ . 1 . 2]" 1
2548 2 4 A H2' 2 5 C H1' . . 5.000 4.585 3.999 5.033 0.033 19 0 "[ . 1 . 2]" 1
2549 2 4 A H2 2 5 C H2' . . 6.000 5.876 5.565 6.023 0.023 10 0 "[ . 1 . 2]" 1
2550 2 4 A H2 2 5 C H4' . . 5.000 4.893 4.596 5.043 0.043 3 0 "[ . 1 . 2]" 1
2551 2 4 A H2' 2 5 C H5 . . 4.000 3.809 3.534 4.023 0.023 5 0 "[ . 1 . 2]" 1
2552 2 4 A H2' 2 5 C H6 . . 3.500 2.460 2.083 2.706 . 0 0 "[ . 1 . 2]" 1
2553 2 4 A H1' 2 4 A H3' . . 4.000 4.039 4.003 4.082 0.082 8 0 "[ . 1 . 2]" 1
2554 2 4 A H3' 2 4 A H8 . . 4.500 4.484 4.379 4.546 0.046 8 0 "[ . 1 . 2]" 1
2555 2 4 A H3' 2 5 C H1' . . 6.000 5.475 5.378 5.622 . 0 0 "[ . 1 . 2]" 1
2556 2 4 A H3' 2 5 C H5 . . 2.800 2.760 2.434 2.875 0.075 8 0 "[ . 1 . 2]" 1
2557 2 4 A H3' 2 5 C H6 . . 2.800 1.970 1.857 2.061 . 0 0 "[ . 1 . 2]" 1
2558 2 4 A H1' 2 4 A H4' . . 4.000 3.912 3.871 3.937 . 0 0 "[ . 1 . 2]" 1
2559 2 4 A H4' 2 4 A H8 . . 5.000 4.135 3.992 4.212 . 0 0 "[ . 1 . 2]" 1
2560 2 4 A H4' 2 5 C H5 . . 5.000 4.660 4.456 4.846 . 0 0 "[ . 1 . 2]" 1
2561 2 4 A H1' 2 4 A H5'' . . 5.000 3.949 3.924 3.995 . 0 0 "[ . 1 . 2]" 1
2562 2 4 A H1' 2 4 A H5' . . 5.500 4.999 4.960 5.030 . 0 0 "[ . 1 . 2]" 1
2563 2 4 A H5'' 2 4 A H8 . . 3.000 2.293 2.214 2.382 . 0 0 "[ . 1 . 2]" 1
2564 2 4 A H5' 2 4 A H8 . . 4.000 3.909 3.816 3.993 . 0 0 "[ . 1 . 2]" 1
2565 2 4 A H8 2 5 C H5 . . 4.000 4.033 3.920 4.106 0.106 13 0 "[ . 1 . 2]" 1
2566 2 4 A H8 2 5 C H6 . . 5.500 5.332 5.231 5.450 . 0 0 "[ . 1 . 2]" 1
2567 2 5 C H1' 2 5 C H6 . . 4.000 3.670 3.598 3.713 . 0 0 "[ . 1 . 2]" 1
2568 2 5 C H1' 2 5 C H2' . . 3.200 3.026 2.997 3.041 . 0 0 "[ . 1 . 2]" 1
2569 2 5 C H2' 2 5 C H5 . . 5.000 4.585 4.416 4.918 . 0 0 "[ . 1 . 2]" 1
2570 2 5 C H2' 2 5 C H6 . . 3.200 2.724 2.442 3.226 0.026 18 0 "[ . 1 . 2]" 1
2571 2 5 C H1' 2 5 C H3' . . 4.000 3.827 3.784 3.911 . 0 0 "[ . 1 . 2]" 1
2572 2 5 C H3' 2 5 C H6 . . 5.000 4.402 4.242 4.666 . 0 0 "[ . 1 . 2]" 1
2573 2 5 C H1' 2 5 C H4' . . 4.000 3.439 3.240 3.683 . 0 0 "[ . 1 . 2]" 1
2574 2 5 C H4' 2 5 C H6 . . 4.500 4.169 3.893 4.342 . 0 0 "[ . 1 . 2]" 1
2575 2 5 C H1' 2 5 C H5'' . . 5.000 4.455 3.955 4.975 . 0 0 "[ . 1 . 2]" 1
2576 2 5 C H1' 2 5 C H5' . . 5.500 4.759 4.618 4.888 . 0 0 "[ . 1 . 2]" 1
2577 2 5 C H5' 2 5 C H6 . . 4.200 3.568 3.170 3.800 . 0 0 "[ . 1 . 2]" 1
2578 2 5 C H5'' 2 5 C H6 . . 4.200 3.055 1.958 4.313 0.113 16 0 "[ . 1 . 2]" 1
2579 2 6 A H1' 2 6 A H2 . . 6.000 4.872 4.724 4.992 . 0 0 "[ . 1 . 2]" 1
2580 2 6 A H1' 2 6 A H8 . . 4.000 3.658 3.594 3.741 . 0 0 "[ . 1 . 2]" 1
2581 2 6 A H1' 2 6 A H2' . . 2.800 2.727 2.716 2.737 . 0 0 "[ . 1 . 2]" 1
2582 2 6 A H2' 2 6 A H8 . . 2.800 2.029 1.980 2.119 . 0 0 "[ . 1 . 2]" 1
2583 2 6 A H1' 2 6 A H3' . . 4.000 4.027 4.016 4.039 0.039 1 0 "[ . 1 . 2]" 1
2584 2 6 A H3' 2 6 A H8 . . 2.800 2.738 2.516 2.837 0.037 9 0 "[ . 1 . 2]" 1
2585 2 6 A H1' 2 6 A H4' . . 4.000 3.953 3.929 3.970 . 0 0 "[ . 1 . 2]" 1
2586 2 6 A H4' 2 6 A H8 . . 5.000 4.858 4.691 4.964 . 0 0 "[ . 1 . 2]" 1
2587 2 6 A H1' 2 6 A H5' . . 5.000 4.957 4.778 5.009 0.009 8 0 "[ . 1 . 2]" 1
2588 2 6 A H1' 2 6 A H5'' . . 5.000 3.876 3.802 3.913 . 0 0 "[ . 1 . 2]" 1
2589 2 6 A H2 2 6 A H5'' . . 5.500 5.294 4.923 5.526 0.026 3 0 "[ . 1 . 2]" 1
2590 2 6 A H5'' 2 6 A H8 . . 3.200 2.984 2.856 3.184 . 0 0 "[ . 1 . 2]" 1
2591 2 6 A H5' 2 6 A H8 . . 4.000 3.870 3.352 4.110 0.110 8 0 "[ . 1 . 2]" 1
2592 1 10 THR MG 2 2 A H2 . . 5.500 5.260 4.839 5.538 0.038 13 0 "[ . 1 . 2]" 1
2593 1 17 HIS HD2 2 3 C H5 . . 5.000 4.388 3.684 5.108 0.108 19 0 "[ . 1 . 2]" 1
2594 1 17 HIS HE1 2 3 C H5 . . 5.500 5.220 4.280 5.594 0.094 14 0 "[ . 1 . 2]" 1
2595 1 17 HIS HE1 2 3 C H6 . . 4.500 4.458 4.193 4.671 0.171 19 0 "[ . 1 . 2]" 1
2596 1 17 HIS QB 2 3 C H5 . . 5.000 4.571 4.170 4.716 . 0 0 "[ . 1 . 2]" 1
2597 1 17 HIS QB 2 3 C H6 . . 5.500 5.262 4.969 5.489 . 0 0 "[ . 1 . 2]" 1
2598 1 19 ARG HG2 2 1 C H1' . . 5.000 3.000 2.130 3.502 . 0 0 "[ . 1 . 2]" 1
2599 1 19 ARG HG2 2 1 C H3' . . 6.000 5.016 4.696 5.547 . 0 0 "[ . 1 . 2]" 1
2600 1 19 ARG HG3 2 1 C H1' . . 5.000 3.863 3.081 4.505 . 0 0 "[ . 1 . 2]" 1
2601 1 19 ARG HG3 2 1 C H3' . . 6.000 5.529 4.988 5.993 . 0 0 "[ . 1 . 2]" 1
2602 1 19 ARG QB 2 1 C H1' . . 4.500 3.686 3.232 4.345 . 0 0 "[ . 1 . 2]" 1
2603 1 19 ARG QB 2 1 C H4' . . 5.000 4.699 4.474 5.042 0.042 20 0 "[ . 1 . 2]" 1
2604 1 19 ARG QB 2 2 A Q5' . . 6.000 5.229 4.775 5.465 . 0 0 "[ . 1 . 2]" 1
2605 1 19 ARG QD 2 1 C H1' . . 5.500 5.007 4.255 5.429 . 0 0 "[ . 1 . 2]" 1
2606 1 19 ARG QD 2 1 C H4' . . 5.000 4.227 3.963 4.894 . 0 0 "[ . 1 . 2]" 1
2607 1 19 ARG QD 2 2 A H1' . . 5.500 5.021 3.120 5.554 0.054 4 0 "[ . 1 . 2]" 1
2608 1 19 ARG QD 2 2 A H4' . . 6.000 3.263 2.507 3.990 . 0 0 "[ . 1 . 2]" 1
2609 1 19 ARG QG 2 1 C H4' . . 5.000 2.794 2.558 3.284 . 0 0 "[ . 1 . 2]" 1
2610 1 19 ARG QG 2 2 A H1' . . 6.000 5.374 3.606 6.023 0.023 10 0 "[ . 1 . 2]" 1
2611 1 42 TYR QD 2 4 A H2 . . 6.000 5.652 5.499 5.846 . 0 0 "[ . 1 . 2]" 1
2612 1 42 TYR QE 2 4 A H2 . . 6.000 4.361 3.919 4.775 . 0 0 "[ . 1 . 2]" 1
2613 1 44 VAL HB 2 4 A H1' . . 5.500 5.360 5.163 5.543 0.043 11 0 "[ . 1 . 2]" 1
2614 1 44 VAL HB 2 4 A H2 . . 5.000 4.863 4.704 4.992 . 0 0 "[ . 1 . 2]" 1
2615 1 44 VAL MG1 2 4 A H1' . . 2.800 2.674 2.483 2.824 0.024 13 0 "[ . 1 . 2]" 1
2616 1 44 VAL MG1 2 4 A H2 . . 4.000 3.536 3.280 3.898 . 0 0 "[ . 1 . 2]" 1
2617 1 44 VAL MG1 2 4 A H2' . . 6.000 3.793 3.200 4.165 . 0 0 "[ . 1 . 2]" 1
2618 1 44 VAL MG1 2 4 A H3' . . 5.800 5.574 5.086 5.856 0.056 10 0 "[ . 1 . 2]" 1
2619 1 44 VAL MG2 2 4 A H1' . . 4.500 3.363 3.026 3.644 . 0 0 "[ . 1 . 2]" 1
2620 1 44 VAL MG2 2 4 A H2 . . 3.800 3.800 3.660 3.865 0.065 5 0 "[ . 1 . 2]" 1
2621 1 44 VAL QG 2 4 A H8 . . 6.000 4.876 4.653 5.095 . 0 0 "[ . 1 . 2]" 1
2622 1 44 VAL QG 2 5 C H6 . . 6.000 4.850 4.398 5.291 . 0 0 "[ . 1 . 2]" 1
2623 1 46 MET HG2 2 4 A H1' . . 4.000 3.287 3.007 3.576 . 0 0 "[ . 1 . 2]" 1
2624 1 46 MET HG2 2 4 A H4' . . 4.000 3.862 3.625 4.060 0.060 11 0 "[ . 1 . 2]" 1
2625 1 46 MET HG3 2 4 A H1' . . 5.000 5.011 4.760 5.187 0.187 10 0 "[ . 1 . 2]" 1
2626 1 46 MET HG3 2 4 A H4' . . 5.000 4.541 4.339 4.797 . 0 0 "[ . 1 . 2]" 1
2627 1 46 MET QB 2 4 A H1' . . 4.000 3.477 3.143 3.805 . 0 0 "[ . 1 . 2]" 1
2628 1 46 MET QB 2 4 A H4' . . 5.000 2.518 2.219 2.822 . 0 0 "[ . 1 . 2]" 1
2629 1 46 MET ME 2 3 C H1' . . 5.000 3.029 2.720 3.591 . 0 0 "[ . 1 . 2]" 1
2630 1 46 MET ME 2 3 C H4' . . 3.500 2.611 2.153 3.264 . 0 0 "[ . 1 . 2]" 1
2631 1 46 MET ME 2 3 C H6 . . 5.000 4.683 4.423 4.857 . 0 0 "[ . 1 . 2]" 1
2632 1 46 MET ME 2 3 C Q5' . . 5.500 4.049 2.624 4.491 . 0 0 "[ . 1 . 2]" 1
2633 1 46 MET ME 2 4 A H1' . . 3.500 2.981 2.524 3.348 . 0 0 "[ . 1 . 2]" 1
2634 1 46 MET ME 2 4 A H2' . . 6.000 5.019 4.765 5.211 . 0 0 "[ . 1 . 2]" 1
2635 1 46 MET ME 2 4 A H3' . . 5.500 5.092 4.985 5.167 . 0 0 "[ . 1 . 2]" 1
2636 1 46 MET ME 2 4 A H4' . . 3.500 3.542 3.459 3.630 0.130 6 0 "[ . 1 . 2]" 1
2637 1 46 MET ME 2 4 A H8 . . 2.800 2.695 2.311 2.868 0.068 5 0 "[ . 1 . 2]" 1
2638 1 46 MET ME 2 4 A Q5' . . 4.000 3.714 3.483 3.897 . 0 0 "[ . 1 . 2]" 1
2639 1 46 MET ME 2 5 C H5 . . 6.000 5.683 5.421 5.848 . 0 0 "[ . 1 . 2]" 1
2640 1 46 MET QG 2 4 A H2' . . 6.000 5.313 5.150 5.550 . 0 0 "[ . 1 . 2]" 1
2641 1 46 MET QG 2 4 A H8 . . 6.000 4.795 4.415 5.184 . 0 0 "[ . 1 . 2]" 1
2642 1 48 LYS QD 2 4 A H4' . . 6.000 4.488 2.814 6.101 0.101 2 0 "[ . 1 . 2]" 1
2643 1 48 LYS QE 2 4 A H4' . . 6.000 4.657 2.391 6.031 0.031 1 0 "[ . 1 . 2]" 1
2644 1 49 LYS QD 2 3 C H4' . . 4.500 2.774 2.305 3.231 . 0 0 "[ . 1 . 2]" 1
2645 1 53 LEU QB 2 4 A H1' . . 4.500 3.764 3.360 4.210 . 0 0 "[ . 1 . 2]" 1
2646 1 53 LEU QD 2 3 C H1' . . 5.500 2.939 2.735 3.150 . 0 0 "[ . 1 . 2]" 1
2647 1 53 LEU QD 2 3 C H4' . . 5.000 4.680 4.004 5.000 . 0 0 "[ . 1 . 2]" 1
2648 1 53 LEU QD 2 4 A H1' . . 4.000 2.396 2.053 2.829 . 0 0 "[ . 1 . 2]" 1
2649 1 53 LEU QD 2 4 A H8 . . 5.000 2.713 2.510 3.059 . 0 0 "[ . 1 . 2]" 1
2650 1 82 PHE HZ 2 1 C H4' . . 6.000 5.977 5.714 6.034 0.034 16 0 "[ . 1 . 2]" 1
2651 1 82 PHE HZ 2 1 C H5 . . 4.000 3.975 3.796 4.038 0.038 13 0 "[ . 1 . 2]" 1
2652 1 82 PHE HZ 2 1 C H6 . . 4.000 4.010 3.841 4.048 0.048 15 0 "[ . 1 . 2]" 1
2653 1 82 PHE QD 2 1 C H1' . . 4.000 3.670 3.375 4.025 0.025 18 0 "[ . 1 . 2]" 1
2654 1 82 PHE QE 2 1 C H1' . . 4.500 4.537 4.467 4.580 0.080 20 0 "[ . 1 . 2]" 1
2655 1 82 PHE QE 2 1 C H3' . . 5.500 5.497 5.381 5.538 0.038 14 0 "[ . 1 . 2]" 1
2656 1 82 PHE QE 2 1 C H4' . . 4.500 3.826 3.717 3.936 . 0 0 "[ . 1 . 2]" 1
2657 1 82 PHE QE 2 1 C H6 . . 4.000 3.621 3.391 3.865 . 0 0 "[ . 1 . 2]" 1
2658 1 84 ASN HD21 2 2 A H2 . . 5.000 3.536 3.070 5.080 0.080 12 0 "[ . 1 . 2]" 1
2659 1 84 ASN HD22 2 2 A H2 . . 5.000 4.749 4.040 5.130 0.130 19 0 "[ . 1 . 2]" 1
2660 1 84 ASN QB 2 2 A H2 . . 4.000 3.528 2.958 4.028 0.028 8 0 "[ . 1 . 2]" 1
2661 1 84 ASN QB 2 3 C H5 . . 6.000 5.789 5.208 6.085 0.085 3 0 "[ . 1 . 2]" 1
2662 1 87 THR MG 2 3 C H1' . . 5.000 4.068 3.418 4.672 . 0 0 "[ . 1 . 2]" 1
2663 1 87 THR MG 2 3 C H2' . . 4.000 3.315 2.588 3.886 . 0 0 "[ . 1 . 2]" 1
2664 1 87 THR MG 2 3 C H5 . . 4.000 3.718 3.300 4.119 0.119 16 0 "[ . 1 . 2]" 1
2665 1 87 THR MG 2 3 C H6 . . 4.000 3.833 3.636 4.010 0.010 17 0 "[ . 1 . 2]" 1
2666 1 91 ILE HB 2 4 A H2 . . 6.000 5.065 4.914 5.294 . 0 0 "[ . 1 . 2]" 1
2667 1 91 ILE MD 2 4 A H1' . . 6.000 5.550 5.361 5.744 . 0 0 "[ . 1 . 2]" 1
2668 1 91 ILE MD 2 4 A H2 . . 5.000 5.002 4.900 5.053 0.053 16 0 "[ . 1 . 2]" 1
2669 1 91 ILE MG 2 4 A H1' . . 6.000 4.725 4.581 4.983 . 0 0 "[ . 1 . 2]" 1
2670 1 91 ILE MG 2 4 A H2 . . 2.800 2.391 2.271 2.532 . 0 0 "[ . 1 . 2]" 1
2671 1 91 ILE MG 2 5 C H1' . . 6.000 5.257 4.708 5.691 . 0 0 "[ . 1 . 2]" 1
2672 1 92 SER HA 2 4 A H2 . . 5.000 4.552 4.265 5.068 0.068 7 0 "[ . 1 . 2]" 1
2673 1 92 SER HA 2 5 C H1' . . 5.500 5.547 5.432 5.636 0.136 11 0 "[ . 1 . 2]" 1
2674 1 92 SER QB 2 4 A H2 . . 3.000 2.313 2.124 2.664 . 0 0 "[ . 1 . 2]" 1
2675 1 92 SER QB 2 5 C H1' . . 2.800 2.647 2.481 2.808 0.008 9 0 "[ . 1 . 2]" 1
2676 1 92 SER QB 2 5 C H2' . . 5.500 5.184 4.973 5.350 . 0 0 "[ . 1 . 2]" 1
2677 1 92 SER QB 2 5 C H3' . . 6.000 5.975 5.679 6.087 0.087 6 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 1213
_Distance_constraint_stats_list.Viol_total 12179.793
_Distance_constraint_stats_list.Viol_max 1.039
_Distance_constraint_stats_list.Viol_rms 0.2732
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4758
_Distance_constraint_stats_list.Viol_average_violations_only 0.5021
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 14 PRO 11.295 0.566 3 5 "[ + . 1* - * *2]"
1 16 VAL 26.287 0.675 18 20 [***********-*****+**]
1 17 HIS 5.833 0.316 19 0 "[ . 1 . 2]"
1 18 ILE 35.568 0.970 10 20 [*********+********-*]
1 19 ARG 32.727 0.951 20 20 [****-**************+]
1 26 VAL 48.018 0.935 19 20 [*****************-+*]
1 27 GLU 28.007 1.000 12 20 [***********+-*******]
1 28 ALA 29.133 0.949 14 20 [********-****+******]
1 29 ASP 46.642 0.844 19 20 [*****************-+*]
1 30 LEU 57.366 0.935 19 20 [**-***************+*]
1 31 VAL 48.652 1.000 12 20 [***********+-*******]
1 32 GLU 29.133 0.949 14 20 [********-****+******]
1 33 ALA 29.141 0.844 19 20 [*****-************+*]
1 34 LEU 26.848 0.727 18 20 [**********-******+**]
1 35 GLN 20.645 0.668 13 20 [-***********+*******]
1 39 PRO 12.357 0.545 12 12 "[****.*- *1*+ . * **]"
1 41 SER 6.960 0.366 4 0 "[ . 1 . 2]"
1 42 TYR 45.411 0.977 3 20 [**+*-***************]
1 44 VAL 28.361 0.642 5 20 [****+**********-****]
1 46 MET 60.341 1.013 15 20 [***-**********+*****]
1 49 LYS 20.697 0.869 16 20 [***************+****]
1 51 GLN 39.644 1.013 15 20 [***-**********+*****]
1 52 ALA 35.568 0.970 10 20 [*********+********-*]
1 53 LEU 28.361 0.642 5 20 [****+**********-****]
1 54 VAL 26.287 0.675 18 20 [***********-*****+**]
1 55 GLU 52.371 0.977 3 20 [**+*-***************]
1 56 PHE 11.295 0.566 3 5 "[ + . 1* - * *2]"
1 57 GLU 12.357 0.545 12 12 "[****.*- *1*+ . * **]"
1 58 ASP 33.395 1.039 10 20 [*******-*+**********]
1 59 VAL 15.562 0.596 11 15 "[* *** * *+-**** ***]"
1 60 LEU 16.646 0.606 17 20 [**-*************+***]
1 61 GLY 32.097 0.970 9 20 [********+*****-*****]
1 62 ALA 64.736 1.039 10 20 [*********+****-*****]
1 63 CYS 27.929 0.748 10 16 "[* ***** +*-**** ***]"
1 64 ASN 16.646 0.606 17 20 [**-*************+***]
1 65 ALA 32.097 0.970 9 20 [********+*****-*****]
1 66 VAL 31.341 0.997 16 20 [**************-+****]
1 67 ASN 12.367 0.748 10 3 "[ .* + . -2]"
1 76 ILE 20.647 0.538 1 13 "[+ **-* *** ***** 2]"
1 79 HIS 20.647 0.538 1 13 "[+ **-* *** ***** 2]"
1 82 PHE 32.727 0.951 20 20 [****-**************+]
1 84 ASN 5.833 0.316 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 PRO O 1 56 PHE H . . 1.800 1.879 1.839 1.958 0.158 3 0 "[ . 1 . 2]" 2
2 1 14 PRO O 1 56 PHE N . . 2.400 2.885 2.847 2.966 0.566 3 5 "[ + . 1* - * *2]" 2
3 1 16 VAL H 1 54 VAL O . . 1.800 1.825 1.799 1.861 0.061 2 0 "[ . 1 . 2]" 2
4 1 16 VAL N 1 54 VAL O . . 2.400 2.821 2.795 2.860 0.460 16 0 "[ . 1 . 2]" 2
5 1 16 VAL O 1 54 VAL H . . 1.800 2.057 1.980 2.128 0.328 20 0 "[ . 1 . 2]" 2
6 1 16 VAL O 1 54 VAL N . . 2.400 3.011 2.933 3.075 0.675 18 20 [***********-*****+**] 2
7 1 17 HIS H 1 84 ASN O . . 1.800 1.764 1.753 1.787 . 0 0 "[ . 1 . 2]" 2
8 1 17 HIS N 1 84 ASN O . . 2.400 2.692 2.671 2.716 0.316 19 0 "[ . 1 . 2]" 2
9 1 18 ILE H 1 52 ALA O . . 1.800 1.817 1.776 1.898 0.098 7 0 "[ . 1 . 2]" 2
10 1 18 ILE N 1 52 ALA O . . 2.400 2.761 2.707 2.820 0.420 7 0 "[ . 1 . 2]" 2
11 1 18 ILE O 1 52 ALA H . . 1.800 2.321 2.219 2.403 0.603 10 13 "[ * **** + **** **-2]" 2
12 1 18 ILE O 1 52 ALA N . . 2.400 3.276 3.153 3.370 0.970 10 20 [*********+*********-] 2
13 1 19 ARG H 1 82 PHE O . . 1.800 2.134 2.041 2.411 0.611 20 1 "[ . 1 . +]" 2
14 1 19 ARG N 1 82 PHE O . . 2.400 3.112 3.015 3.351 0.951 20 20 [********-**********+] 2
15 1 19 ARG O 1 82 PHE H . . 1.800 1.901 1.811 2.048 0.248 16 0 "[ . 1 . 2]" 2
16 1 19 ARG O 1 82 PHE N . . 2.400 2.889 2.803 3.054 0.654 16 6 "[** - *1* .+ 2]" 2
17 1 26 VAL O 1 29 ASP H . . 1.800 2.149 2.098 2.210 0.410 7 0 "[ . 1 . 2]" 2
18 1 26 VAL O 1 29 ASP N . . 2.400 2.926 2.882 2.976 0.576 7 16 "[****.*+**1*** .**-**]" 2
19 1 26 VAL O 1 30 LEU H . . 1.800 2.419 2.375 2.445 0.645 6 20 [**-**+**************] 2
20 1 26 VAL O 1 30 LEU N . . 2.400 3.307 3.278 3.335 0.935 19 20 [****-*************+*] 2
21 1 27 GLU O 1 31 VAL H . . 1.800 2.317 2.143 2.425 0.625 12 13 "[ * *** ** +-** ** *]" 2
22 1 27 GLU O 1 31 VAL N . . 2.400 3.284 3.101 3.400 1.000 12 20 [*******-***+********] 2
23 1 28 ALA O 1 32 GLU H . . 1.800 2.361 2.270 2.409 0.609 14 17 "[*** ****-****+*** *2]" 2
24 1 28 ALA O 1 32 GLU N . . 2.400 3.296 3.204 3.349 0.949 14 20 [***-*********+******] 2
25 1 29 ASP O 1 33 ALA H . . 1.800 2.450 2.434 2.460 0.660 19 20 [*****-************+*] 2
26 1 29 ASP O 1 33 ALA N . . 2.400 3.207 3.171 3.244 0.844 19 20 [*****-************+*] 2
27 1 30 LEU O 1 34 LEU H . . 1.800 2.446 2.426 2.459 0.659 14 20 [**********-**+******] 2
28 1 30 LEU O 1 34 LEU N . . 2.400 3.096 3.058 3.127 0.727 18 20 [**********-******+**] 2
29 1 31 VAL O 1 35 GLN H . . 1.800 2.214 2.149 2.274 0.474 13 0 "[ . 1 . 2]" 2
30 1 31 VAL O 1 35 GLN N . . 2.400 3.019 2.963 3.068 0.668 13 20 [-***********+*******] 2
31 1 39 PRO O 1 57 GLU H . . 1.800 1.910 1.871 1.945 0.145 12 0 "[ . 1 . 2]" 2
32 1 39 PRO O 1 57 GLU N . . 2.400 2.908 2.868 2.945 0.545 12 12 "[****.*- *1*+ . * **]" 2
33 1 41 SER H 1 55 GLU O . . 1.800 1.753 1.737 1.763 . 0 0 "[ . 1 . 2]" 2
34 1 41 SER N 1 55 GLU O . . 2.400 2.748 2.729 2.766 0.366 4 0 "[ . 1 . 2]" 2
35 1 42 TYR H 1 55 GLU O . . 1.800 2.383 2.272 2.425 0.625 3 19 "[**+******- *********]" 2
36 1 42 TYR N 1 55 GLU O . . 2.400 3.328 3.182 3.377 0.977 3 20 [**+*******-*********] 2
37 1 42 TYR O 1 55 GLU H . . 1.800 1.980 1.901 2.104 0.304 7 0 "[ . 1 . 2]" 2
38 1 42 TYR O 1 55 GLU N . . 2.400 2.979 2.899 3.107 0.707 7 19 "[****-*+**** ********]" 2
39 1 44 VAL H 1 53 LEU O . . 1.800 1.979 1.938 2.040 0.240 5 0 "[ . 1 . 2]" 2
40 1 44 VAL N 1 53 LEU O . . 2.400 2.958 2.920 3.042 0.642 5 20 [***-+***************] 2
41 1 44 VAL O 1 53 LEU H . . 1.800 1.949 1.909 2.004 0.204 3 0 "[ . 1 . 2]" 2
42 1 44 VAL O 1 53 LEU N . . 2.400 2.932 2.895 2.979 0.579 3 18 "[**+ *** *******-****]" 2
43 1 46 MET H 1 51 GLN O . . 1.800 1.983 1.902 2.129 0.329 20 0 "[ . 1 . 2]" 2
44 1 46 MET N 1 51 GLN O . . 2.400 2.955 2.884 3.075 0.675 20 19 "[***-*** ***********+]" 2
45 1 46 MET O 1 49 LYS H . . 1.800 2.141 1.991 2.339 0.539 16 1 "[ . 1 .+ 2]" 2
46 1 46 MET O 1 49 LYS N . . 2.400 3.093 2.957 3.269 0.869 16 20 [**************-+****] 2
47 1 46 MET O 1 51 GLN H . . 1.800 2.221 2.097 2.407 0.607 15 4 "[ * . 1 + -*]" 2
48 1 46 MET O 1 51 GLN N . . 2.400 3.222 3.105 3.413 1.013 15 20 [*****-********+*****] 2
49 1 58 ASP O 1 62 ALA H . . 1.800 2.449 2.434 2.473 0.673 16 20 [*******-*******+****] 2
50 1 58 ASP O 1 62 ALA N . . 2.400 3.421 3.404 3.439 1.039 10 20 [*********+******-***] 2
51 1 59 VAL O 1 63 CYS H . . 1.800 2.047 1.971 2.096 0.296 18 0 "[ . 1 . 2]" 2
52 1 59 VAL O 1 63 CYS N . . 2.400 2.931 2.865 2.996 0.596 11 15 "[* *** * *+-**** ***]" 2
53 1 60 LEU O 1 64 ASN H . . 1.800 2.093 2.048 2.178 0.378 11 0 "[ . 1 . 2]" 2
54 1 60 LEU O 1 64 ASN N . . 2.400 2.940 2.911 3.006 0.606 17 20 [**-*************+***] 2
55 1 61 GLY O 1 65 ALA H . . 1.800 2.452 2.429 2.469 0.669 10 20 [*********+****-*****] 2
56 1 61 GLY O 1 65 ALA N . . 2.400 3.353 3.315 3.370 0.970 9 20 [********+********-**] 2
57 1 62 ALA O 1 66 VAL H . . 1.800 2.427 2.412 2.450 0.650 16 20 [**************-+****] 2
58 1 62 ALA O 1 66 VAL N . . 2.400 3.340 3.292 3.397 0.997 16 20 [*******-*******+****] 2
59 1 63 CYS O 1 67 ASN H . . 1.800 1.941 1.861 2.194 0.394 10 0 "[ . 1 . 2]" 2
60 1 63 CYS O 1 67 ASN N . . 2.400 2.877 2.805 3.148 0.748 10 3 "[ .* + . -2]" 2
61 1 76 ILE H 1 79 HIS O . . 1.800 1.759 1.749 1.771 . 0 0 "[ . 1 . 2]" 2
62 1 76 ILE N 1 79 HIS O . . 2.400 2.767 2.759 2.780 0.380 19 0 "[ . 1 . 2]" 2
63 1 76 ILE O 1 79 HIS H . . 1.800 1.956 1.924 2.017 0.217 16 0 "[ . 1 . 2]" 2
64 1 76 ILE O 1 79 HIS N . . 2.400 2.909 2.884 2.938 0.538 1 13 "[+ **-* *** ***** 2]" 2
stop_
save_
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