NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621435 |
5o2m   |
34141 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5o2m
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 1134
_Distance_constraint_stats_list.Viol_count 1130
_Distance_constraint_stats_list.Viol_total 2881.797
_Distance_constraint_stats_list.Viol_max 0.496
_Distance_constraint_stats_list.Viol_rms 0.0166
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0638
_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 5 TYR 8.564 0.496 30 0 "[ . 1 . 2 . 3 . 4]"
1 6 LEU 8.199 0.496 30 0 "[ . 1 . 2 . 3 . 4]"
1 7 ASN 0.038 0.035 2 0 "[ . 1 . 2 . 3 . 4]"
1 8 VAL 1.406 0.155 20 0 "[ . 1 . 2 . 3 . 4]"
1 9 LEU 11.891 0.494 19 0 "[ . 1 . 2 . 3 . 4]"
1 10 ALA 1.025 0.204 34 0 "[ . 1 . 2 . 3 . 4]"
1 11 LYS 1.086 0.201 39 0 "[ . 1 . 2 . 3 . 4]"
1 12 ALA 1.574 0.274 39 0 "[ . 1 . 2 . 3 . 4]"
1 13 LEU 1.071 0.137 33 0 "[ . 1 . 2 . 3 . 4]"
1 14 TYR 0.891 0.104 40 0 "[ . 1 . 2 . 3 . 4]"
1 15 ASP 1.414 0.249 40 0 "[ . 1 . 2 . 3 . 4]"
1 16 ASN 3.827 0.158 37 0 "[ . 1 . 2 . 3 . 4]"
1 17 VAL 0.189 0.068 34 0 "[ . 1 . 2 . 3 . 4]"
1 18 ALA 0.212 0.212 11 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 2.593 0.383 40 0 "[ . 1 . 2 . 3 . 4]"
1 20 SER 5.789 0.383 40 0 "[ . 1 . 2 . 3 . 4]"
1 21 PRO 3.341 0.292 31 0 "[ . 1 . 2 . 3 . 4]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 23 GLU 1.147 0.139 40 0 "[ . 1 . 2 . 3 . 4]"
1 24 LEU 3.100 0.245 9 0 "[ . 1 . 2 . 3 . 4]"
1 25 SER 0.071 0.041 17 0 "[ . 1 . 2 . 3 . 4]"
1 26 PHE 1.748 0.168 36 0 "[ . 1 . 2 . 3 . 4]"
1 27 ARG 2.303 0.178 31 0 "[ . 1 . 2 . 3 . 4]"
1 28 LYS 3.017 0.249 40 0 "[ . 1 . 2 . 3 . 4]"
1 29 GLY 0.356 0.103 37 0 "[ . 1 . 2 . 3 . 4]"
1 30 ASP 1.391 0.158 40 0 "[ . 1 . 2 . 3 . 4]"
1 31 ILE 4.015 0.274 39 0 "[ . 1 . 2 . 3 . 4]"
1 32 MET 1.342 0.473 34 0 "[ . 1 . 2 . 3 . 4]"
1 33 THR 2.316 0.258 35 0 "[ . 1 . 2 . 3 . 4]"
1 34 VAL 16.684 0.494 19 0 "[ . 1 . 2 . 3 . 4]"
1 35 LEU 0.732 0.116 34 0 "[ . 1 . 2 . 3 . 4]"
1 36 GLU 0.181 0.043 23 0 "[ . 1 . 2 . 3 . 4]"
1 37 ARG 0.012 0.006 2 0 "[ . 1 . 2 . 3 . 4]"
1 38 ASP 0.127 0.040 37 0 "[ . 1 . 2 . 3 . 4]"
1 39 THR 0.356 0.070 33 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLN 0.118 0.047 6 0 "[ . 1 . 2 . 3 . 4]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 LEU 0.098 0.070 33 0 "[ . 1 . 2 . 3 . 4]"
1 43 ASP 0.337 0.088 37 0 "[ . 1 . 2 . 3 . 4]"
1 44 GLY 0.345 0.088 37 0 "[ . 1 . 2 . 3 . 4]"
1 45 TRP 0.136 0.040 37 0 "[ . 1 . 2 . 3 . 4]"
1 46 TRP 12.580 0.403 40 0 "[ . 1 . 2 . 3 . 4]"
1 47 LEU 0.038 0.036 25 0 "[ . 1 . 2 . 3 . 4]"
1 48 CYS 3.718 0.264 40 0 "[ . 1 . 2 . 3 . 4]"
1 49 SER 2.788 0.242 40 0 "[ . 1 . 2 . 3 . 4]"
1 50 LEU 2.672 0.258 35 0 "[ . 1 . 2 . 3 . 4]"
1 51 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 ARG 1.378 0.245 9 0 "[ . 1 . 2 . 3 . 4]"
1 54 GLN 2.516 0.242 40 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLY 1.177 0.194 25 0 "[ . 1 . 2 . 3 . 4]"
1 56 ILE 1.271 0.186 40 0 "[ . 1 . 2 . 3 . 4]"
1 57 VAL 6.333 0.244 11 0 "[ . 1 . 2 . 3 . 4]"
1 58 PRO 0.028 0.026 38 0 "[ . 1 . 2 . 3 . 4]"
1 59 GLY 0.313 0.103 36 0 "[ . 1 . 2 . 3 . 4]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ARG 1.146 0.113 38 0 "[ . 1 . 2 . 3 . 4]"
1 62 LEU 4.079 0.264 40 0 "[ . 1 . 2 . 3 . 4]"
1 63 LYS 0.096 0.081 40 0 "[ . 1 . 2 . 3 . 4]"
1 64 ILE 0.942 0.237 39 0 "[ . 1 . 2 . 3 . 4]"
1 65 LEU 0.977 0.129 34 0 "[ . 1 . 2 . 3 . 4]"
1 66 VAL 1.009 0.129 34 0 "[ . 1 . 2 . 3 . 4]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 LYS 0.830 0.202 37 0 "[ . 1 . 2 . 3 . 4]"
1 72 LYS 0.830 0.202 37 0 "[ . 1 . 2 . 3 . 4]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 ILE 0.148 0.066 38 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 0.105 0.066 38 0 "[ . 1 . 2 . 3 . 4]"
1 80 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
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 5 TYR H 1 5 TYR QD 4.710 . 4.710 3.225 1.952 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 5 TYR HA 1 6 LEU H 3.410 . 3.410 2.524 2.175 2.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 5 TYR QB 1 6 LEU H 3.710 . 3.710 2.520 2.066 3.732 0.022 2 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 5 TYR QB 1 6 LEU HA 5.340 . 5.340 4.565 4.311 4.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 5 TYR QB 1 6 LEU QD 4.850 . 4.850 4.467 3.746 4.946 0.096 3 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 5 TYR QB 1 35 LEU HA 5.340 . 5.340 3.588 2.707 4.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 5 TYR QB 1 35 LEU QB 5.180 . 5.180 3.904 3.097 4.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 5 TYR HB2 1 6 LEU H 4.250 . 4.250 3.426 2.236 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 5 TYR HB2 1 35 LEU MD2 5.500 . 5.500 4.214 3.265 5.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 5 TYR HB3 1 6 LEU H 4.250 . 4.250 3.044 2.080 4.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 5 TYR HB3 1 35 LEU MD2 5.500 . 5.500 3.997 2.723 5.540 0.040 2 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 5 TYR QD 1 6 LEU H 4.450 . 4.450 2.918 2.124 3.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 5 TYR QD 1 35 LEU MD2 5.500 . 5.500 2.962 2.242 3.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 5 TYR QE 1 6 LEU QD 5.440 . 5.440 5.551 4.138 5.936 0.496 30 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 5 TYR QE 1 35 LEU QB 5.340 . 5.340 3.197 2.066 4.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 5 TYR QE 1 35 LEU MD1 5.500 . 5.500 3.917 2.873 4.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 5 TYR QE 1 35 LEU MD2 5.500 . 5.500 3.187 1.984 4.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 5 TYR QE 1 35 LEU HG 5.500 . 5.500 5.157 4.302 5.616 0.116 34 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 6 LEU H 1 6 LEU HB2 4.130 . 4.130 2.434 2.120 2.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 6 LEU H 1 6 LEU QB 3.560 . 3.560 2.395 2.101 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 6 LEU H 1 6 LEU HB3 4.130 . 4.130 3.590 3.433 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 6 LEU H 1 6 LEU QD 4.190 . 4.190 2.955 2.238 3.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 6 LEU H 1 6 LEU HG 4.290 . 4.290 2.628 2.078 4.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 6 LEU H 1 7 ASN H 4.280 . 4.280 2.765 2.199 3.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 6 LEU H 1 35 LEU HA 4.340 . 4.340 3.618 2.664 4.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 6 LEU HA 1 7 ASN QB 5.340 . 5.340 4.287 4.071 4.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 6 LEU HA 1 8 VAL QG 5.440 . 5.440 3.764 3.332 4.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 6 LEU QB 1 7 ASN H 3.600 . 3.600 2.507 2.291 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 6 LEU QB 1 7 ASN QB 5.180 . 5.180 4.402 4.239 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 6 LEU QB 1 8 VAL H 3.830 . 3.830 2.806 2.276 3.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 6 LEU QB 1 8 VAL QG 5.280 . 5.280 2.190 1.996 2.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 6 LEU HB2 1 7 ASN H 4.180 . 4.180 2.586 2.359 3.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 6 LEU HB2 1 8 VAL H 4.400 . 4.400 3.275 2.771 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 6 LEU HB2 1 34 VAL MG1 5.500 . 5.500 3.539 2.675 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 6 LEU HB3 1 7 ASN H 4.180 . 4.180 3.462 2.742 4.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 6 LEU HB3 1 8 VAL H 4.400 . 4.400 3.148 2.300 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 6 LEU HB3 1 34 VAL MG1 5.500 . 5.500 4.033 2.993 4.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 6 LEU QD 1 7 ASN H 4.760 . 4.760 4.021 3.795 4.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 6 LEU QD 1 34 VAL HB 5.440 . 5.440 3.834 3.245 5.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 6 LEU QD 1 37 ARG H 4.390 . 4.390 3.197 2.752 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 6 LEU QD 1 37 ARG QD 4.850 . 4.850 3.305 2.619 4.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 6 LEU MD1 1 36 GLU HA 5.500 . 5.500 2.612 2.066 4.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 6 LEU MD1 1 37 ARG H 5.500 . 5.500 3.482 2.780 5.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 6 LEU MD2 1 36 GLU HA 5.500 . 5.500 3.772 2.077 4.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 6 LEU MD2 1 37 ARG H 5.500 . 5.500 4.564 3.154 5.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 6 LEU HG 1 35 LEU HA 5.500 . 5.500 4.798 4.007 5.556 0.056 23 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 7 ASN H 1 8 VAL H 4.010 . 4.010 2.916 2.664 3.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 7 ASN H 1 8 VAL QG 5.380 . 5.380 3.919 3.626 4.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 7 ASN H 1 33 THR MG 5.050 . 5.050 3.906 3.571 4.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 7 ASN H 1 35 LEU MD2 4.510 . 4.510 3.758 3.249 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 7 ASN HA 1 8 VAL H 3.270 . 3.270 2.816 2.702 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 7 ASN HA 1 33 THR MG 5.500 . 5.500 2.724 2.266 3.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 7 ASN QB 1 8 VAL H 4.370 . 4.370 3.930 3.779 4.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 7 ASN HB2 1 33 THR MG 5.500 . 5.500 4.728 4.090 5.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 7 ASN HB3 1 33 THR MG 5.500 . 5.500 4.858 3.658 5.535 0.035 2 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 8 VAL H 1 8 VAL HB 3.710 . 3.710 3.346 2.433 3.770 0.060 31 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 8 VAL H 1 8 VAL MG1 4.570 . 4.570 2.875 2.101 3.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 8 VAL H 1 8 VAL QG 4.000 . 4.000 2.150 1.897 2.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 8 VAL H 1 8 VAL MG2 4.570 . 4.570 2.624 1.950 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 8 VAL H 1 9 LEU H 4.680 . 4.680 4.481 4.394 4.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 8 VAL H 1 33 THR MG 4.020 . 4.020 3.381 3.035 3.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 8 VAL H 1 34 VAL H 4.590 . 4.590 3.618 3.277 3.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 8 VAL H 1 34 VAL HB 4.350 . 4.350 3.703 3.312 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 8 VAL H 1 34 VAL MG1 5.240 . 5.240 4.470 4.099 4.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 8 VAL H 1 35 LEU MD2 5.210 . 5.210 4.915 4.449 5.234 0.024 1 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 8 VAL HA 1 9 LEU H 2.990 . 2.990 2.444 2.161 2.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 8 VAL HA 1 9 LEU HG 5.500 . 5.500 4.139 3.559 4.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 8 VAL HB 1 9 LEU H 4.110 . 4.110 3.163 2.285 4.143 0.033 15 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 8 VAL QG 1 9 LEU H 3.910 . 3.910 2.794 2.051 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 8 VAL QG 1 34 VAL H 3.930 . 3.930 3.407 3.123 4.085 0.155 20 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 8 VAL QG 1 34 VAL MG1 5.440 . 5.440 3.162 2.777 4.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 8 VAL MG1 1 9 LEU H 4.580 . 4.580 3.449 2.332 3.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 8 VAL MG2 1 9 LEU H 4.580 . 4.580 3.236 2.075 4.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 9 LEU H 1 9 LEU HB2 3.890 . 3.890 3.695 3.081 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 9 LEU H 1 9 LEU HB3 3.800 . 3.800 3.508 3.325 3.809 0.009 37 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 9 LEU H 1 9 LEU MD1 5.500 . 5.500 3.940 3.648 4.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 9 LEU H 1 9 LEU MD2 5.500 . 5.500 2.586 2.170 3.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 9 LEU H 1 9 LEU HG 3.460 . 3.460 2.315 1.933 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 9 LEU H 1 10 ALA H 4.730 . 4.730 4.474 4.412 4.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 9 LEU H 1 34 VAL H 4.950 . 4.950 4.508 4.332 4.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 9 LEU H 1 65 LEU H 4.720 . 4.720 3.919 3.410 4.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 9 LEU HA 1 10 ALA H 2.990 . 2.990 2.310 2.172 2.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 9 LEU HA 1 31 ILE MG 5.500 . 5.500 4.368 3.867 4.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 9 LEU HA 1 33 THR HA 5.500 . 5.500 2.168 1.851 2.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 9 LEU HA 1 34 VAL H 4.120 . 4.120 2.445 2.184 3.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 9 LEU HA 1 34 VAL MG2 5.500 . 5.500 3.180 2.882 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 9 LEU HB2 1 10 ALA H 3.710 . 3.710 2.556 2.342 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 9 LEU HB2 1 31 ILE MG 5.500 . 5.500 2.602 2.267 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 9 LEU HB2 1 32 MET H 4.470 . 4.470 4.103 3.611 4.943 0.473 34 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 9 LEU HB3 1 10 ALA H 4.060 . 4.060 3.448 2.646 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 9 LEU QD 1 10 ALA H 4.000 . 4.000 3.858 3.513 4.087 0.087 7 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 9 LEU QD 1 10 ALA HA 5.440 . 5.440 4.536 4.040 5.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 9 LEU QD 1 31 ILE MG 5.440 . 5.440 2.267 2.060 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 9 LEU QD 1 33 THR HA 5.440 . 5.440 3.619 2.699 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 9 LEU QD 1 34 VAL H 4.210 . 4.210 4.450 3.745 4.704 0.494 19 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 9 LEU QD 1 65 LEU H 5.440 . 5.440 4.388 3.949 5.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 9 LEU HG 1 10 ALA HA 5.500 . 5.500 4.921 4.396 5.704 0.204 34 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 9 LEU HG 1 65 LEU H 5.500 . 5.500 4.116 3.390 5.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 10 ALA H 1 10 ALA MB 3.450 . 3.450 2.609 2.507 2.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 10 ALA H 1 31 ILE HA 4.930 . 4.930 4.419 4.231 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 10 ALA H 1 31 ILE MG 3.690 . 3.690 3.278 2.855 3.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 10 ALA H 1 32 MET HA 5.420 . 5.420 4.814 4.658 4.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 10 ALA H 1 32 MET HB2 5.420 . 5.420 5.276 5.151 5.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 10 ALA H 1 33 THR HA 4.230 . 4.230 3.584 3.312 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 10 ALA H 1 33 THR MG 5.500 . 5.500 5.244 4.911 5.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 10 ALA H 1 34 VAL H 4.550 . 4.550 4.178 3.875 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 10 ALA H 1 34 VAL MG2 4.160 . 4.160 3.390 3.185 3.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 10 ALA HA 1 11 LYS H 3.040 . 3.040 2.275 2.175 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 10 ALA HA 1 11 LYS QB 5.340 . 5.340 4.042 3.947 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 10 ALA HA 1 31 ILE MG 5.500 . 5.500 4.280 3.797 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 10 ALA HA 1 63 LYS H 4.550 . 4.550 4.325 4.081 4.631 0.081 40 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 10 ALA HA 1 64 ILE HA 5.500 . 5.500 2.476 2.139 2.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 10 ALA HA 1 64 ILE MD 5.500 . 5.500 3.871 3.322 5.527 0.027 29 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 10 ALA HA 1 64 ILE MG 5.500 . 5.500 4.142 3.798 4.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 10 ALA HA 1 65 LEU H 3.420 . 3.420 2.576 2.009 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 10 ALA HA 1 65 LEU QD 5.440 . 5.440 3.188 2.159 4.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 10 ALA MB 1 11 LYS H 3.410 . 3.410 2.650 2.424 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 10 ALA MB 1 12 ALA HA 5.500 . 5.500 4.740 4.527 4.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 10 ALA MB 1 32 MET H 4.660 . 4.660 3.919 3.749 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 10 ALA MB 1 32 MET HG2 5.500 . 5.500 3.294 2.942 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 10 ALA MB 1 32 MET HG3 5.500 . 5.500 3.849 3.085 4.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 10 ALA MB 1 34 VAL HB 5.500 . 5.500 4.305 3.964 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 10 ALA MB 1 34 VAL MG2 5.500 . 5.500 2.457 2.216 2.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 10 ALA MB 1 46 TRP HE3 5.500 . 5.500 3.795 3.461 4.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 10 ALA MB 1 46 TRP HZ3 5.500 . 5.500 3.028 2.643 3.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 10 ALA MB 1 62 LEU HA 5.500 . 5.500 3.771 3.609 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 10 ALA MB 1 62 LEU HB3 5.500 . 5.500 2.065 1.997 2.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 10 ALA MB 1 62 LEU MD1 5.500 . 5.500 2.250 2.023 2.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 10 ALA MB 1 62 LEU MD2 5.500 . 5.500 2.840 2.423 3.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 10 ALA MB 1 63 LYS H 3.910 . 3.910 2.846 2.487 3.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 10 ALA MB 1 63 LYS HA 5.500 . 5.500 4.057 3.866 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 10 ALA MB 1 64 ILE H 4.250 . 4.250 3.724 3.400 4.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 10 ALA MB 1 64 ILE HA 5.500 . 5.500 2.497 2.294 2.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 10 ALA MB 1 65 LEU H 4.120 . 4.120 3.663 3.306 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 11 LYS H 1 11 LYS HB2 3.700 . 3.700 2.841 2.635 3.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 11 LYS H 1 11 LYS QB 3.180 . 3.180 2.352 2.257 2.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 11 LYS H 1 11 LYS HB3 3.700 . 3.700 2.513 2.389 2.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 11 LYS H 1 11 LYS QG 4.440 . 4.440 4.059 3.986 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 11 LYS H 1 31 ILE HA 5.280 . 5.280 4.865 4.665 5.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 11 LYS H 1 31 ILE MD 5.500 . 5.500 4.555 3.832 5.701 0.201 39 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 11 LYS H 1 31 ILE MG 5.350 . 5.350 4.554 4.004 5.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 11 LYS H 1 62 LEU HA 5.500 . 5.500 4.633 4.288 4.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 11 LYS H 1 62 LEU HB3 4.600 . 4.600 4.129 3.831 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 11 LYS H 1 62 LEU MD2 4.830 . 4.830 4.377 3.645 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 11 LYS H 1 63 LYS H 3.510 . 3.510 2.804 2.495 3.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 11 LYS H 1 63 LYS HB3 3.740 . 3.740 3.366 3.040 3.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 11 LYS H 1 64 ILE HA 4.410 . 4.410 3.948 3.661 4.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 11 LYS H 1 65 LEU QD 5.440 . 5.440 3.029 2.209 4.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 11 LYS HA 1 12 ALA H 2.850 . 2.850 2.197 2.154 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 11 LYS HA 1 12 ALA MB 5.500 . 5.500 4.018 3.929 4.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 11 LYS HA 1 31 ILE H 5.160 . 5.160 4.893 4.712 5.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 11 LYS HA 1 31 ILE HA 5.500 . 5.500 2.400 2.195 2.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 11 LYS HA 1 31 ILE MD 5.500 . 5.500 2.690 2.088 3.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 11 LYS HA 1 31 ILE HG12 5.500 . 5.500 4.348 3.434 4.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 11 LYS HA 1 31 ILE HG13 5.500 . 5.500 4.361 2.066 5.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 11 LYS HA 1 32 MET H 4.210 . 4.210 3.661 3.501 3.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 11 LYS HA 1 32 MET ME 5.500 . 5.500 3.882 3.209 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 11 LYS QB 1 65 LEU QD 5.280 . 5.280 2.304 1.940 4.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 11 LYS HB2 1 12 ALA H 5.500 . 5.500 4.246 4.155 4.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 11 LYS HB2 1 31 ILE MD 5.500 . 5.500 2.737 2.273 3.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 11 LYS HB3 1 12 ALA H 5.500 . 5.500 4.122 3.998 4.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 11 LYS HB3 1 31 ILE MD 5.500 . 5.500 4.015 3.640 5.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 11 LYS QD 1 29 GLY H 5.500 . 5.500 4.216 2.399 5.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 11 LYS QD 1 29 GLY QA 5.340 . 5.340 3.019 2.077 4.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 11 LYS QD 1 31 ILE MD 5.500 . 5.500 3.132 2.247 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 11 LYS QE 1 13 LEU HA 5.500 . 5.500 4.398 2.999 5.637 0.137 33 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 11 LYS QE 1 13 LEU QD 5.440 . 5.440 3.431 2.546 4.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 11 LYS QE 1 29 GLY QA 5.340 . 5.340 3.037 1.939 4.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 11 LYS QE 1 31 ILE MD 5.500 . 5.500 3.719 2.351 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 11 LYS QE 1 65 LEU QD 5.440 . 5.440 3.898 2.422 5.511 0.071 27 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 11 LYS QG 1 12 ALA H 3.660 . 3.660 2.617 2.412 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 11 LYS QG 1 29 GLY H 5.340 . 5.340 3.194 2.822 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 11 LYS QG 1 29 GLY QA 4.760 . 4.760 2.818 2.579 3.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 11 LYS HG2 1 12 ALA H 4.250 . 4.250 2.855 2.434 3.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 11 LYS HG3 1 12 ALA H 4.250 . 4.250 3.289 2.768 4.284 0.034 22 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 12 ALA H 1 12 ALA MB 2.980 . 2.980 2.199 2.135 2.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 12 ALA H 1 13 LEU H 4.580 . 4.580 4.578 4.505 4.622 0.042 34 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 12 ALA H 1 30 ASP H 4.060 . 4.060 3.733 3.589 3.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 12 ALA H 1 30 ASP QB 5.110 . 5.110 3.876 3.616 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 12 ALA H 1 31 ILE HA 3.930 . 3.930 3.461 3.032 3.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 12 ALA H 1 31 ILE MD 4.310 . 4.310 3.831 3.316 4.584 0.274 39 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 12 ALA H 1 32 MET ME 4.050 . 4.050 2.972 2.395 3.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 12 ALA H 1 62 LEU MD2 4.420 . 4.420 3.593 3.512 3.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 12 ALA HA 1 13 LEU H 3.050 . 3.050 2.145 2.104 2.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 12 ALA HA 1 13 LEU QB 5.340 . 5.340 4.358 4.289 4.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 12 ALA HA 1 14 TYR H 3.820 . 3.820 3.626 3.450 3.865 0.045 39 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 12 ALA HA 1 14 TYR QD 5.500 . 5.500 5.390 5.174 5.532 0.032 7 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 12 ALA HA 1 32 MET ME 5.500 . 5.500 3.695 3.433 4.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 12 ALA HA 1 62 LEU HA 5.500 . 5.500 2.531 2.304 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 12 ALA HA 1 62 LEU MD2 5.500 . 5.500 2.032 1.974 2.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 12 ALA HA 1 63 LYS H 4.470 . 4.470 3.823 3.507 4.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 12 ALA MB 1 13 LEU H 3.650 . 3.650 3.056 2.913 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 12 ALA MB 1 13 LEU HA 5.500 . 5.500 4.330 4.254 4.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 12 ALA MB 1 14 TYR H 3.530 . 3.530 2.964 2.741 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 12 ALA MB 1 14 TYR HB2 5.500 . 5.500 4.702 4.458 4.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 12 ALA MB 1 14 TYR QD 5.500 . 5.500 5.092 4.906 5.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 12 ALA MB 1 26 PHE QB 5.500 . 5.500 3.145 2.773 3.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 12 ALA MB 1 26 PHE QD 5.500 . 5.500 2.266 2.111 2.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 12 ALA MB 1 26 PHE QE 5.500 . 5.500 2.848 2.352 3.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 12 ALA MB 1 27 ARG H 5.500 . 5.500 3.773 3.478 4.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 12 ALA MB 1 28 LYS HA 5.500 . 5.500 2.503 2.211 2.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 12 ALA MB 1 29 GLY H 3.360 . 3.360 2.853 2.479 3.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 12 ALA MB 1 30 ASP H 3.170 . 3.170 2.715 2.385 3.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 12 ALA MB 1 30 ASP HA 5.500 . 5.500 4.688 4.383 5.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 12 ALA MB 1 30 ASP HB2 5.500 . 5.500 3.756 3.260 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 12 ALA MB 1 30 ASP HB3 5.500 . 5.500 3.102 2.815 3.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 12 ALA MB 1 31 ILE HA 5.500 . 5.500 4.626 4.219 4.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 12 ALA MB 1 32 MET ME 5.500 . 5.500 2.064 1.954 2.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 12 ALA MB 1 62 LEU HA 5.500 . 5.500 4.129 3.898 4.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 12 ALA MB 1 62 LEU MD2 5.500 . 5.500 2.549 2.363 2.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 13 LEU H 1 13 LEU HB2 3.810 . 3.810 2.424 2.327 2.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 13 LEU H 1 13 LEU QB 3.040 . 3.040 2.390 2.298 2.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 13 LEU H 1 13 LEU HB3 3.810 . 3.810 3.626 3.564 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 13 LEU H 1 13 LEU MD1 4.690 . 4.690 3.645 3.503 3.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 13 LEU H 1 13 LEU QD 3.920 . 3.920 3.261 3.157 3.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 13 LEU H 1 13 LEU MD2 4.690 . 4.690 3.681 3.510 3.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 13 LEU H 1 14 TYR H 3.260 . 3.260 2.165 2.066 2.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 13 LEU H 1 14 TYR QE 5.150 . 5.150 5.038 4.755 5.174 0.024 24 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 13 LEU H 1 62 LEU H 5.080 . 5.080 4.780 4.671 4.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 13 LEU H 1 62 LEU HA 3.710 . 3.710 2.896 2.691 3.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 13 LEU H 1 62 LEU MD2 4.170 . 4.170 3.297 3.149 3.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 13 LEU H 1 63 LYS H 4.660 . 4.660 4.312 3.988 4.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 13 LEU QB 1 14 TYR H 3.440 . 3.440 2.818 2.591 3.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 13 LEU QB 1 61 ARG HA 5.340 . 5.340 3.256 3.058 3.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 13 LEU QB 1 61 ARG QD 5.180 . 5.180 5.097 4.835 5.270 0.090 35 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 13 LEU HB2 1 14 TYR H 4.110 . 4.110 2.892 2.644 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 13 LEU HB2 1 14 TYR QD 5.500 . 5.500 2.517 2.286 2.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 13 LEU HB2 1 14 TYR QE 5.500 . 5.500 2.976 2.617 3.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 13 LEU HB3 1 14 TYR H 4.110 . 4.110 3.900 3.718 4.177 0.067 40 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 13 LEU HB3 1 14 TYR QD 5.500 . 5.500 3.752 3.519 3.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 13 LEU HB3 1 14 TYR QE 5.500 . 5.500 3.594 3.319 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 13 LEU QD 1 14 TYR H 4.830 . 4.830 4.194 4.060 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 13 LEU QD 1 14 TYR QD 5.440 . 5.440 3.642 3.454 3.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 13 LEU QD 1 14 TYR QE 5.440 . 5.440 2.871 2.564 3.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 13 LEU QD 1 61 ARG HA 5.440 . 5.440 3.202 2.835 3.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 13 LEU QD 1 62 LEU H 4.580 . 4.580 3.798 3.509 4.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 13 LEU QD 1 63 LYS H 4.430 . 4.430 3.544 3.342 3.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 13 LEU QD 1 63 LYS HA 5.440 . 5.440 3.566 3.295 3.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 13 LEU QD 1 63 LYS QD 5.440 . 5.440 2.820 2.069 4.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 13 LEU MD1 1 14 TYR H 5.500 . 5.500 4.646 4.416 4.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 13 LEU MD1 1 63 LYS H 5.330 . 5.330 3.993 3.780 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 13 LEU MD1 1 63 LYS HB2 5.500 . 5.500 2.368 2.080 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 13 LEU MD1 1 63 LYS HB3 5.500 . 5.500 3.850 3.599 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 13 LEU MD2 1 14 TYR H 5.500 . 5.500 4.780 4.674 4.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 13 LEU MD2 1 63 LYS H 5.330 . 5.330 3.970 3.722 4.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 13 LEU MD2 1 63 LYS HB2 5.500 . 5.500 2.262 2.141 2.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 13 LEU MD2 1 63 LYS HB3 5.500 . 5.500 2.926 2.605 3.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 13 LEU HG 1 63 LYS H 4.610 . 4.610 3.232 2.976 3.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 13 LEU HG 1 63 LYS HB2 5.500 . 5.500 2.928 2.432 3.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 14 TYR H 1 14 TYR HB2 3.540 . 3.540 2.691 2.563 2.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 14 TYR H 1 14 TYR HB3 4.130 . 4.130 3.807 3.743 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 14 TYR H 1 14 TYR QD 3.830 . 3.830 2.821 2.534 3.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 14 TYR H 1 15 ASP H 4.650 . 4.650 4.462 4.421 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 14 TYR H 1 28 LYS HA 4.210 . 4.210 3.682 3.428 3.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 14 TYR H 1 28 LYS HB2 4.890 . 4.890 4.589 4.234 4.912 0.022 31 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 14 TYR H 1 61 ARG HB2 5.500 . 5.500 4.646 4.390 4.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 14 TYR H 1 61 ARG HB3 5.500 . 5.500 3.116 2.918 3.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 14 TYR H 1 61 ARG HD2 5.500 . 5.500 5.240 4.528 5.604 0.104 40 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 14 TYR H 1 61 ARG HD3 5.500 . 5.500 4.416 4.139 5.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 14 TYR H 1 62 LEU MD2 4.980 . 4.980 4.382 4.092 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 14 TYR HA 1 15 ASP H 2.940 . 2.940 2.428 2.341 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 14 TYR HA 1 28 LYS HB3 5.500 . 5.500 2.426 2.211 2.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 14 TYR HA 1 28 LYS QD 5.500 . 5.500 3.260 2.752 4.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 14 TYR HA 1 28 LYS QG 5.340 . 5.340 4.352 3.397 4.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 14 TYR HB2 1 15 ASP H 3.900 . 3.900 3.580 3.414 3.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 14 TYR HB2 1 61 ARG HD2 5.500 . 5.500 3.521 2.302 3.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 14 TYR HB2 1 61 ARG HD3 5.500 . 5.500 2.171 2.001 2.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 14 TYR HB2 1 61 ARG QG 5.340 . 5.340 3.494 3.133 4.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 14 TYR HB3 1 15 ASP H 3.260 . 3.260 2.572 2.287 2.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 14 TYR QD 1 15 ASP H 4.500 . 4.500 4.080 3.816 4.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 14 TYR QD 1 61 ARG HA 5.500 . 5.500 2.258 2.006 2.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 14 TYR QD 1 61 ARG QB 5.340 . 5.340 2.221 2.008 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 14 TYR QD 1 61 ARG HD2 5.500 . 5.500 4.330 3.472 4.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 14 TYR QD 1 61 ARG HD3 5.500 . 5.500 3.203 2.769 3.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 14 TYR QD 1 61 ARG HG2 5.500 . 5.500 2.774 2.381 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 14 TYR QD 1 61 ARG HG3 5.500 . 5.500 4.174 3.901 4.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 14 TYR QD 1 62 LEU H 5.500 . 5.500 5.105 4.824 5.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 14 TYR QD 1 62 LEU MD2 5.500 . 5.500 5.275 4.891 5.527 0.027 9 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 14 TYR QE 1 61 ARG HA 5.500 . 5.500 2.685 2.433 2.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 14 TYR QE 1 61 ARG HB2 5.500 . 5.500 5.436 5.212 5.552 0.052 1 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 14 TYR QE 1 61 ARG HB3 5.500 . 5.500 4.317 4.041 4.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 14 TYR QE 1 61 ARG QD 5.340 . 5.340 4.773 4.218 5.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 14 TYR QE 1 61 ARG QG 5.340 . 5.340 3.606 3.259 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 15 ASP H 1 15 ASP HB2 3.860 . 3.860 3.666 3.599 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 15 ASP H 1 15 ASP HB3 3.190 . 3.190 2.985 2.736 3.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 15 ASP H 1 16 ASN H 4.740 . 4.740 4.572 4.514 4.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 15 ASP H 1 27 ARG HA 5.060 . 5.060 4.746 4.548 4.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 15 ASP H 1 28 LYS H 4.250 . 4.250 3.791 3.570 4.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 15 ASP H 1 28 LYS HB2 5.440 . 5.440 4.728 4.450 5.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 15 ASP H 1 28 LYS HB3 4.040 . 4.040 3.030 2.751 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 15 ASP H 1 28 LYS QD 5.500 . 5.500 3.279 2.576 5.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 15 ASP H 1 28 LYS QE 5.130 . 5.130 4.532 3.250 5.379 0.249 40 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 15 ASP HA 1 16 ASN H 2.980 . 2.980 2.353 2.230 2.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 15 ASP HA 1 27 ARG QD 5.500 . 5.500 5.205 3.494 5.678 0.178 31 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 15 ASP HA 1 28 LYS H 3.490 . 3.490 2.573 2.358 2.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 15 ASP HB2 1 16 ASN H 3.530 . 3.530 2.599 2.358 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 15 ASP HB2 1 27 ARG HA 5.500 . 5.500 2.548 2.186 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 15 ASP HB2 1 28 LYS H 4.600 . 4.600 3.126 2.753 3.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 15 ASP HB2 1 28 LYS QG 5.340 . 5.340 4.084 3.731 4.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 15 ASP HB3 1 16 ASN H 4.170 . 4.170 3.818 3.604 3.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 15 ASP HB3 1 27 ARG HA 5.500 . 5.500 2.637 2.305 3.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 15 ASP HB3 1 28 LYS H 4.630 . 4.630 1.748 1.579 2.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 15 ASP HB3 1 28 LYS QG 5.340 . 5.340 2.484 2.197 3.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 16 ASN H 1 16 ASN HB2 3.860 . 3.860 3.290 3.039 3.959 0.099 10 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 16 ASN H 1 16 ASN QB 3.310 . 3.310 2.746 2.608 3.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 16 ASN H 1 16 ASN HB3 3.860 . 3.860 2.953 2.800 3.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 16 ASN H 1 16 ASN QD 4.700 . 4.700 4.688 4.381 4.835 0.135 31 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 16 ASN H 1 26 PHE QD 4.300 . 4.300 3.908 3.478 4.301 0.001 19 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 16 ASN H 1 27 ARG HA 3.790 . 3.790 2.816 2.436 3.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 16 ASN H 1 27 ARG QB 5.040 . 5.040 4.663 3.526 5.065 0.025 4 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 16 ASN H 1 27 ARG QD 5.500 . 5.500 5.010 3.022 5.654 0.154 36 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 16 ASN H 1 27 ARG QG 5.340 . 5.340 3.849 3.038 5.498 0.158 37 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 16 ASN H 1 28 LYS H 4.430 . 4.430 4.455 4.264 4.585 0.155 40 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 16 ASN HA 1 17 VAL H 3.090 . 3.090 2.281 2.051 2.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 16 ASN QB 1 17 VAL H 4.410 . 4.410 3.445 2.255 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 16 ASN QB 1 26 PHE H 4.490 . 4.490 3.023 2.398 4.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 16 ASN QB 1 26 PHE QD 5.340 . 5.340 3.446 3.137 4.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 16 ASN HB2 1 26 PHE QE 5.500 . 5.500 3.287 2.878 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 16 ASN HB2 1 26 PHE HZ 5.500 . 5.500 3.039 2.709 4.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 16 ASN HB3 1 26 PHE QE 5.500 . 5.500 3.162 2.864 3.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 16 ASN HB3 1 26 PHE HZ 5.500 . 5.500 3.456 2.868 3.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 16 ASN QD 1 26 PHE H 4.310 . 4.310 3.672 2.931 4.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 16 ASN QD 1 57 VAL QG 5.150 . 5.150 4.213 3.722 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 16 ASN QD 1 58 PRO QD 4.530 . 4.530 3.937 3.221 4.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 16 ASN HD21 1 18 ALA HA 5.500 . 5.500 3.200 2.443 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 16 ASN HD21 1 18 ALA MB 5.500 . 5.500 4.012 2.295 5.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 16 ASN HD21 1 23 GLU HG3 5.500 . 5.500 3.961 3.421 4.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 16 ASN HD22 1 18 ALA HA 5.500 . 5.500 3.538 2.924 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 16 ASN HD22 1 18 ALA MB 5.500 . 5.500 3.820 3.070 4.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 16 ASN HD22 1 23 GLU HG3 5.500 . 5.500 4.408 3.609 5.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 17 VAL H 1 17 VAL HB 3.630 . 3.630 2.829 2.427 3.698 0.068 34 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 17 VAL H 1 17 VAL QG 3.390 . 3.390 2.534 1.952 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 17 VAL HB 1 18 ALA H 5.500 . 5.500 4.122 2.766 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 17 VAL QG 1 18 ALA H 5.500 . 5.500 2.804 2.306 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 17 VAL QG 1 18 ALA HA 5.500 . 5.500 4.108 3.672 4.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 18 ALA H 1 25 SER QB 5.340 . 5.340 2.734 1.900 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 18 ALA HA 1 19 GLU H 3.070 . 3.070 2.158 2.009 2.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 18 ALA HA 1 19 GLU QB 5.340 . 5.340 4.391 3.889 4.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 18 ALA HA 1 19 GLU QG 5.340 . 5.340 3.913 3.611 5.552 0.212 11 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 18 ALA HA 1 20 SER H 3.920 . 3.920 3.459 3.078 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 18 ALA HA 1 23 GLU HB2 5.500 . 5.500 4.473 4.095 5.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 18 ALA HA 1 23 GLU HB3 5.500 . 5.500 3.162 2.559 3.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 18 ALA HA 1 23 GLU HG2 5.500 . 5.500 3.138 2.786 3.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 18 ALA HA 1 23 GLU HG3 5.500 . 5.500 4.448 4.227 5.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 18 ALA HA 1 25 SER HA 5.500 . 5.500 4.259 3.885 4.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 18 ALA MB 1 19 GLU H 3.910 . 3.910 3.130 2.757 3.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 18 ALA MB 1 19 GLU HA 5.500 . 5.500 4.241 3.971 4.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 18 ALA MB 1 20 SER H 3.940 . 3.940 3.004 2.608 3.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 18 ALA MB 1 23 GLU H 4.270 . 4.270 3.680 3.397 4.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 18 ALA MB 1 23 GLU HA 5.500 . 5.500 4.296 4.082 4.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 18 ALA MB 1 23 GLU HB2 5.500 . 5.500 3.788 3.578 4.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 18 ALA MB 1 23 GLU HB3 5.500 . 5.500 2.231 2.030 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 18 ALA MB 1 23 GLU HG2 5.500 . 5.500 2.886 2.208 3.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 18 ALA MB 1 23 GLU HG3 5.500 . 5.500 4.196 3.679 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 18 ALA MB 1 24 LEU H 4.690 . 4.690 3.971 3.602 4.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 18 ALA MB 1 24 LEU HA 5.500 . 5.500 3.434 3.020 3.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 18 ALA MB 1 24 LEU QB 5.340 . 5.340 4.454 4.205 4.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 18 ALA MB 1 25 SER H 4.110 . 4.110 3.030 2.660 3.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 18 ALA MB 1 25 SER HA 5.500 . 5.500 2.859 2.304 3.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 19 GLU H 1 19 GLU HB2 3.860 . 3.860 3.130 2.393 3.865 0.005 29 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 19 GLU H 1 19 GLU QB 3.370 . 3.370 2.636 2.146 3.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 19 GLU H 1 19 GLU HB3 3.860 . 3.860 3.269 2.266 3.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 19 GLU H 1 19 GLU QG 4.460 . 4.460 2.388 2.023 3.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 19 GLU H 1 20 SER H 3.260 . 3.260 2.083 1.819 2.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 19 GLU H 1 23 GLU HB2 5.500 . 5.500 4.253 3.894 5.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 19 GLU H 1 23 GLU HB3 5.500 . 5.500 3.389 3.037 4.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 19 GLU QB 1 20 SER H 3.720 . 3.720 3.386 2.371 3.819 0.099 34 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 19 GLU HB2 1 20 SER H 4.260 . 4.260 3.689 2.407 4.298 0.038 34 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 19 GLU HB3 1 20 SER H 4.260 . 4.260 4.112 2.648 4.276 0.016 34 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 19 GLU QG 1 20 SER H 4.720 . 4.720 3.391 2.104 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 19 GLU QG 1 20 SER QB 5.180 . 5.180 4.332 2.762 5.563 0.383 40 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 20 SER H 1 20 SER HB2 4.210 . 4.210 2.801 2.335 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 20 SER H 1 20 SER QB 3.410 . 3.410 2.449 2.219 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 20 SER H 1 20 SER HB3 4.210 . 4.210 3.174 2.261 3.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 20 SER H 1 23 GLU H 4.250 . 4.250 3.952 3.666 4.252 0.002 29 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 20 SER H 1 23 GLU HB2 4.410 . 4.410 3.365 2.912 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 20 SER H 1 23 GLU QB 3.850 . 3.850 2.578 2.419 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 20 SER H 1 23 GLU HB3 4.410 . 4.410 2.685 2.483 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 20 SER H 1 23 GLU HG2 4.840 . 4.840 4.658 4.386 4.858 0.018 15 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 20 SER HA 1 22 ASP H 4.650 . 4.650 4.023 3.748 4.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 20 SER QB 1 21 PRO QB 5.140 . 5.140 5.023 4.658 5.432 0.292 31 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 20 SER QB 1 22 ASP H 4.100 . 4.100 2.891 2.348 3.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 20 SER QB 1 22 ASP QB 5.180 . 5.180 3.327 2.802 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 20 SER QB 1 23 GLU H 4.160 . 4.160 2.877 2.469 3.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 20 SER QB 1 23 GLU QB 4.530 . 4.530 2.243 1.963 2.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 20 SER QB 1 23 GLU HG2 5.340 . 5.340 4.898 4.365 5.358 0.018 11 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 20 SER QB 1 23 GLU HG3 5.340 . 5.340 4.542 4.132 5.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 20 SER QB 1 56 ILE MD 5.340 . 5.340 4.200 3.440 5.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 20 SER HB2 1 23 GLU H 4.970 . 4.970 3.629 2.795 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 20 SER HB3 1 23 GLU H 4.970 . 4.970 3.308 2.487 4.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 21 PRO HA 1 23 GLU H 4.260 . 4.260 3.726 3.317 3.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 21 PRO QD 1 22 ASP H 3.740 . 3.740 2.703 2.426 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 21 PRO QG 1 22 ASP H 4.990 . 4.990 2.569 2.385 2.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 22 ASP H 1 22 ASP HB2 3.820 . 3.820 2.386 2.042 2.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 22 ASP H 1 22 ASP QB 3.170 . 3.170 2.302 2.014 2.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 22 ASP H 1 22 ASP HB3 3.820 . 3.820 3.322 2.454 3.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 22 ASP H 1 23 GLU H 3.170 . 3.170 2.391 2.261 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 22 ASP QB 1 23 GLU H 3.410 . 3.410 3.098 2.911 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 22 ASP QB 1 56 ILE H 5.140 . 5.140 3.933 3.444 4.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 22 ASP QB 1 56 ILE QG 5.180 . 5.180 3.207 2.682 3.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 22 ASP HB2 1 56 ILE MD 5.500 . 5.500 3.884 2.970 5.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 22 ASP HB2 1 56 ILE MG 5.500 . 5.500 4.358 3.692 5.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 22 ASP HB3 1 56 ILE MD 5.500 . 5.500 3.513 2.800 4.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 22 ASP HB3 1 56 ILE MG 5.500 . 5.500 3.330 2.401 4.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 23 GLU H 1 23 GLU HB2 3.380 . 3.380 2.555 2.292 2.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 23 GLU H 1 23 GLU QB 2.930 . 2.930 2.245 2.185 2.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 23 GLU H 1 23 GLU HB3 3.380 . 3.380 2.500 2.385 2.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 23 GLU H 1 23 GLU HG2 5.500 . 5.500 4.457 4.350 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 23 GLU H 1 23 GLU HG3 4.450 . 4.450 4.469 4.265 4.589 0.139 40 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 23 GLU H 1 24 LEU H 4.740 . 4.740 4.600 4.515 4.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 23 GLU H 1 56 ILE H 5.060 . 5.060 4.629 4.443 4.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 23 GLU HA 1 24 LEU H 3.000 . 3.000 2.270 2.203 2.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 23 GLU HA 1 56 ILE H 3.290 . 3.290 2.643 2.374 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 23 GLU HA 1 56 ILE HB 5.500 . 5.500 4.727 4.530 5.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 23 GLU HA 1 56 ILE MD 5.500 . 5.500 3.595 3.355 4.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 23 GLU HA 1 56 ILE HG12 5.500 . 5.500 2.264 2.041 2.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 23 GLU HA 1 56 ILE HG13 5.500 . 5.500 2.687 2.402 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 23 GLU HA 1 56 ILE MG 5.500 . 5.500 4.013 3.743 4.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 23 GLU QB 1 24 LEU H 3.800 . 3.800 3.608 3.453 3.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 23 GLU HB2 1 24 LEU H 4.520 . 4.520 4.207 4.041 4.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 23 GLU HB3 1 24 LEU H 4.520 . 4.520 3.928 3.699 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 23 GLU HG2 1 24 LEU H 4.020 . 4.020 2.654 2.299 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 23 GLU HG2 1 24 LEU QB 5.340 . 5.340 4.261 4.036 4.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 23 GLU HG2 1 45 TRP HZ3 5.500 . 5.500 4.408 3.628 5.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 23 GLU HG2 1 56 ILE MD 5.500 . 5.500 5.062 4.705 5.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 23 GLU HG2 1 56 ILE HG12 5.500 . 5.500 4.904 4.513 5.507 0.007 30 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 23 GLU HG2 1 56 ILE HG13 5.500 . 5.500 4.314 3.962 4.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 23 GLU HG3 1 24 LEU H 4.060 . 4.060 3.033 2.058 3.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 23 GLU HG3 1 45 TRP HH2 5.500 . 5.500 4.288 3.505 5.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 23 GLU HG3 1 45 TRP HZ3 5.500 . 5.500 2.900 2.333 3.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 23 GLU HG3 1 56 ILE H 4.950 . 4.950 4.752 4.458 4.961 0.011 13 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 23 GLU HG3 1 56 ILE MD 5.500 . 5.500 3.651 3.219 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 23 GLU HG3 1 56 ILE HG12 5.500 . 5.500 3.673 3.258 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 23 GLU HG3 1 56 ILE HG13 5.500 . 5.500 2.800 2.400 3.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 23 GLU HG3 1 58 PRO QD 5.350 . 5.350 4.071 3.077 4.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 24 LEU H 1 24 LEU HB2 3.410 . 3.410 2.209 2.106 2.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 24 LEU H 1 24 LEU QB 2.960 . 2.960 2.167 2.077 2.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 24 LEU H 1 24 LEU HB3 3.410 . 3.410 3.191 2.653 3.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 24 LEU H 1 24 LEU MD1 5.100 . 5.100 4.116 3.935 4.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 24 LEU H 1 24 LEU QD 4.330 . 4.330 3.758 3.638 3.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 24 LEU H 1 24 LEU MD2 5.100 . 5.100 4.346 4.137 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 24 LEU H 1 24 LEU HG 5.500 . 5.500 3.966 3.582 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 24 LEU H 1 25 SER H 4.590 . 4.590 4.556 4.481 4.605 0.015 22 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 24 LEU H 1 56 ILE H 4.080 . 4.080 3.541 3.200 3.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 24 LEU H 1 57 VAL QG 3.700 . 3.700 3.090 2.843 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 24 LEU HA 1 25 SER H 2.930 . 2.930 2.163 2.080 2.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 24 LEU QB 1 25 SER H 3.930 . 3.930 3.397 3.205 3.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 24 LEU QB 1 57 VAL QG 5.340 . 5.340 2.111 1.930 2.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 24 LEU HB2 1 26 PHE QD 5.500 . 5.500 3.842 3.340 4.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 24 LEU HB2 1 26 PHE QE 5.500 . 5.500 4.697 4.290 5.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 24 LEU HB3 1 26 PHE QD 5.500 . 5.500 2.554 2.368 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 24 LEU HB3 1 26 PHE QE 5.500 . 5.500 4.200 3.501 4.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 24 LEU QD 1 25 SER H 3.680 . 3.680 2.325 1.999 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 24 LEU QD 1 32 MET HB2 5.440 . 5.440 3.638 3.191 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 24 LEU QD 1 48 CYS H 4.110 . 4.110 3.233 3.046 4.197 0.087 17 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 24 LEU QD 1 48 CYS HA 5.440 . 5.440 4.236 4.038 4.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 24 LEU QD 1 49 SER H 4.620 . 4.620 3.765 3.453 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 24 LEU QD 1 49 SER HA 5.440 . 5.440 2.581 2.228 3.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 24 LEU QD 1 50 LEU H 3.770 . 3.770 2.418 2.203 2.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 24 LEU QD 1 50 LEU QB 4.530 . 4.530 2.075 1.912 3.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 24 LEU QD 1 53 ARG QB 5.440 . 5.440 3.012 2.214 4.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 24 LEU QD 1 55 GLY H 3.340 . 3.340 2.494 1.796 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 24 LEU QD 1 55 GLY QA 4.530 . 4.530 3.036 1.918 3.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 24 LEU QD 1 56 ILE H 4.710 . 4.710 4.664 4.176 4.896 0.186 40 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 24 LEU MD1 1 26 PHE QD 5.500 . 5.500 4.039 2.298 5.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 24 LEU MD1 1 48 CYS QB 5.500 . 5.500 2.479 2.149 4.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 24 LEU MD1 1 53 ARG QD 5.500 . 5.500 5.033 3.435 5.745 0.245 9 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 24 LEU MD1 1 54 GLN HA 5.500 . 5.500 2.810 2.335 4.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 24 LEU MD2 1 26 PHE QD 5.500 . 5.500 3.989 3.598 4.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 24 LEU MD2 1 48 CYS QB 5.500 . 5.500 4.511 2.533 4.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 24 LEU MD2 1 53 ARG QD 5.500 . 5.500 3.382 2.166 5.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 24 LEU MD2 1 54 GLN HA 5.500 . 5.500 3.985 2.432 4.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 24 LEU HG 1 25 SER H 4.540 . 4.540 4.119 3.186 4.581 0.041 17 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 24 LEU HG 1 26 PHE QD 5.500 . 5.500 5.413 4.163 5.658 0.158 31 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 24 LEU HG 1 55 GLY H 4.310 . 4.310 3.326 2.798 4.397 0.087 25 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 24 LEU HG 1 55 GLY HA2 5.500 . 5.500 4.164 3.801 5.694 0.194 25 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 24 LEU HG 1 55 GLY HA3 5.500 . 5.500 2.595 2.193 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 25 SER H 1 25 SER HB2 3.810 . 3.810 2.908 2.414 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 25 SER H 1 25 SER HB3 3.810 . 3.810 3.086 2.397 3.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 25 SER HA 1 26 PHE H 2.890 . 2.890 2.216 2.142 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 25 SER QB 1 26 PHE H 4.190 . 4.190 3.484 2.917 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 26 PHE H 1 26 PHE QD 4.120 . 4.120 3.008 2.122 3.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 26 PHE H 1 27 ARG H 5.010 . 5.010 4.445 4.338 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 26 PHE H 1 32 MET ME 5.500 . 5.500 5.331 5.008 5.591 0.091 38 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 26 PHE HA 1 27 ARG H 3.180 . 3.180 2.461 2.365 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 26 PHE QB 1 27 ARG H 3.120 . 3.120 2.435 2.218 2.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 26 PHE QB 1 30 ASP HB2 5.500 . 5.500 4.042 3.286 4.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 26 PHE QB 1 30 ASP HB3 5.500 . 5.500 3.140 2.555 3.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 26 PHE QB 1 32 MET ME 5.500 . 5.500 2.180 2.026 2.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 26 PHE QB 1 50 LEU MD1 5.500 . 5.500 3.822 2.321 4.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 26 PHE QB 1 50 LEU MD2 5.500 . 5.500 2.444 2.065 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 26 PHE QB 1 57 VAL QG 5.500 . 5.500 3.548 2.918 3.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 26 PHE QB 1 62 LEU MD2 5.500 . 5.500 4.346 3.802 4.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 26 PHE QD 1 27 ARG H 4.280 . 4.280 3.306 2.985 3.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 26 PHE QD 1 32 MET ME 5.500 . 5.500 3.045 2.726 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 26 PHE QD 1 50 LEU QD 5.440 . 5.440 3.848 3.171 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 26 PHE QD 1 57 VAL HB 5.500 . 5.500 5.424 5.084 5.668 0.168 36 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 26 PHE QD 1 57 VAL QG 5.500 . 5.500 2.595 2.274 2.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 26 PHE QD 1 62 LEU MD2 5.500 . 5.500 3.996 3.621 4.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 26 PHE QE 1 32 MET ME 5.500 . 5.500 4.255 3.582 5.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 26 PHE QE 1 57 VAL HB 5.500 . 5.500 4.774 4.457 5.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 26 PHE QE 1 57 VAL QG 5.500 . 5.500 2.219 1.971 2.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 26 PHE QE 1 58 PRO QD 5.350 . 5.350 2.559 2.159 3.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 26 PHE QE 1 61 ARG HB2 5.500 . 5.500 3.794 3.212 4.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 26 PHE QE 1 61 ARG HB3 5.500 . 5.500 3.422 2.856 4.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 26 PHE QE 1 61 ARG QD 5.340 . 5.340 3.324 2.600 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 26 PHE QE 1 62 LEU MD1 5.500 . 5.500 5.158 4.674 5.606 0.106 37 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 26 PHE QE 1 62 LEU MD2 5.500 . 5.500 3.706 3.046 4.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 26 PHE HZ 1 57 VAL QG 5.500 . 5.500 2.767 2.457 3.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 26 PHE HZ 1 58 PRO QD 5.350 . 5.350 2.586 2.314 2.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 26 PHE HZ 1 58 PRO HG2 5.500 . 5.500 3.120 2.673 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 26 PHE HZ 1 61 ARG HB2 5.500 . 5.500 3.394 2.621 3.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 26 PHE HZ 1 61 ARG HB3 5.500 . 5.500 3.967 3.399 4.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 26 PHE HZ 1 61 ARG QD 5.340 . 5.340 2.673 1.992 3.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 26 PHE HZ 1 61 ARG QG 5.340 . 5.340 4.405 3.629 5.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 26 PHE HZ 1 62 LEU MD2 5.500 . 5.500 4.334 3.341 5.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 27 ARG H 1 27 ARG QB 3.320 . 3.320 2.681 2.544 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 27 ARG H 1 27 ARG QD 5.500 . 5.500 4.512 2.819 4.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 27 ARG H 1 27 ARG QG 3.780 . 3.780 2.992 2.065 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 27 ARG H 1 28 LYS H 4.530 . 4.530 4.476 4.374 4.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 27 ARG H 1 30 ASP H 4.250 . 4.250 3.994 3.619 4.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 27 ARG H 1 30 ASP HB2 4.310 . 4.310 2.647 2.088 3.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 27 ARG H 1 30 ASP QB 3.660 . 3.660 2.449 2.035 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 27 ARG H 1 30 ASP HB3 4.310 . 4.310 2.927 2.533 3.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 27 ARG H 1 32 MET ME 4.930 . 4.930 3.844 3.077 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 27 ARG H 1 50 LEU MD1 5.500 . 5.500 4.875 3.569 5.677 0.177 38 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 27 ARG H 1 50 LEU QD 4.600 . 4.600 3.567 3.012 4.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 27 ARG H 1 50 LEU MD2 5.500 . 5.500 3.803 3.055 5.518 0.018 18 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 27 ARG HA 1 28 LYS H 3.000 . 3.000 2.306 2.186 2.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 27 ARG HA 1 28 LYS HA 5.500 . 5.500 4.309 4.225 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 27 ARG HA 1 28 LYS HB3 5.500 . 5.500 4.658 4.478 4.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 27 ARG QB 1 28 LYS H 3.310 . 3.310 2.557 2.316 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 27 ARG HB2 1 28 LYS H 3.790 . 3.790 3.687 2.382 3.913 0.123 40 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 27 ARG HB3 1 28 LYS H 3.790 . 3.790 2.679 2.347 3.800 0.010 24 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 27 ARG QD 1 28 LYS H 5.500 . 5.500 4.374 3.427 4.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 27 ARG HG2 1 28 LYS H 5.500 . 5.500 4.231 3.700 5.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 27 ARG HG3 1 28 LYS H 5.500 . 5.500 4.915 3.537 5.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 28 LYS H 1 28 LYS HB2 4.020 . 4.020 3.616 3.555 3.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 28 LYS H 1 28 LYS HB3 3.330 . 3.330 2.609 2.439 2.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 28 LYS H 1 28 LYS QD 4.360 . 4.360 3.568 3.074 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 28 LYS H 1 28 LYS QG 4.050 . 4.050 2.046 1.861 2.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 28 LYS H 1 29 GLY H 4.600 . 4.600 4.602 4.552 4.703 0.103 37 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 28 LYS H 1 30 ASP H 5.220 . 5.220 4.605 4.501 4.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 28 LYS H 1 30 ASP QB 4.990 . 4.990 4.930 4.769 5.114 0.124 35 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 28 LYS HA 1 29 GLY H 2.820 . 2.820 2.147 2.102 2.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 28 LYS HA 1 29 GLY QA 5.340 . 5.340 3.940 3.911 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 28 LYS HA 1 30 ASP H 3.840 . 3.840 3.402 3.316 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 28 LYS HB2 1 29 GLY H 3.890 . 3.890 3.162 3.002 3.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 28 LYS HB2 1 29 GLY QA 5.340 . 5.340 4.081 3.959 4.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 28 LYS HB3 1 29 GLY H 5.500 . 5.500 4.096 3.975 4.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 28 LYS QG 1 29 GLY H 4.650 . 4.650 4.200 3.940 4.654 0.004 27 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 28 LYS QG 1 30 ASP H 5.340 . 5.340 4.918 4.724 5.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 29 GLY H 1 30 ASP H 3.310 . 3.310 2.729 2.526 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 29 GLY QA 1 30 ASP QB 5.180 . 5.180 4.325 4.259 4.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 30 ASP H 1 30 ASP HB2 3.410 . 3.410 2.244 2.138 2.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 30 ASP H 1 30 ASP QB 2.880 . 2.880 2.157 2.093 2.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 30 ASP H 1 30 ASP HB3 3.410 . 3.410 2.813 2.628 3.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 30 ASP H 1 31 ILE H 4.740 . 4.740 4.653 4.608 4.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 30 ASP H 1 31 ILE QG 5.340 . 5.340 5.351 5.186 5.498 0.158 40 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 30 ASP H 1 32 MET ME 4.700 . 4.700 4.352 3.891 4.837 0.137 35 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 30 ASP HA 1 31 ILE H 2.760 . 2.760 2.390 2.288 2.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 30 ASP HA 1 31 ILE HB 5.500 . 5.500 4.642 4.467 4.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 30 ASP HA 1 32 MET ME 5.500 . 5.500 4.756 4.199 5.510 0.010 35 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 30 ASP QB 1 31 ILE H 3.750 . 3.750 3.196 2.956 3.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 30 ASP QB 1 50 LEU QD 4.530 . 4.530 2.995 2.669 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 30 ASP HB2 1 32 MET ME 5.500 . 5.500 4.078 3.507 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 30 ASP HB3 1 32 MET ME 5.500 . 5.500 2.671 2.167 3.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 31 ILE H 1 31 ILE HB 3.050 . 3.050 2.698 2.632 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 31 ILE H 1 31 ILE MD 3.570 . 3.570 3.394 2.723 3.756 0.186 31 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 31 ILE H 1 31 ILE QG 3.810 . 3.810 2.917 2.514 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 31 ILE H 1 32 MET H 4.760 . 4.760 4.397 4.331 4.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 31 ILE H 1 50 LEU QD 4.700 . 4.700 3.395 3.113 4.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 31 ILE HA 1 32 MET H 2.950 . 2.950 2.187 2.119 2.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 31 ILE HA 1 32 MET ME 5.500 . 5.500 3.458 2.616 4.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 31 ILE HA 1 32 MET QG 5.340 . 5.340 3.938 3.562 4.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 31 ILE MD 1 32 MET H 5.500 . 5.500 4.287 3.863 5.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 31 ILE QG 1 32 MET H 5.340 . 5.340 4.576 3.889 4.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 31 ILE MG 1 32 MET H 3.350 . 3.350 2.683 2.494 2.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 32 MET H 1 32 MET HB3 3.950 . 3.950 3.266 3.128 3.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 32 MET H 1 32 MET ME 5.500 . 5.500 3.174 2.664 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 32 MET H 1 32 MET QG 3.460 . 3.460 2.260 1.960 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 32 MET H 1 50 LEU QD 4.800 . 4.800 4.163 3.862 4.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 32 MET HA 1 33 THR H 3.030 . 3.030 2.266 2.150 2.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 32 MET HA 1 33 THR HB 5.500 . 5.500 4.794 4.646 5.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 32 MET HA 1 48 CYS QB 5.500 . 5.500 4.643 4.426 4.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 32 MET HA 1 49 SER H 5.160 . 5.160 4.639 4.251 4.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 32 MET HA 1 50 LEU QD 5.440 . 5.440 2.846 2.531 3.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 32 MET HB2 1 33 THR H 3.400 . 3.400 2.736 2.522 2.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 32 MET HB2 1 48 CYS QB 5.500 . 5.500 2.450 2.142 2.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 32 MET HB2 1 49 SER H 4.590 . 4.590 3.121 2.870 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 32 MET HB2 1 50 LEU QB 5.340 . 5.340 2.702 2.300 3.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 32 MET HB3 1 33 THR H 3.980 . 3.980 3.904 3.774 3.990 0.010 4 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 32 MET HB3 1 48 CYS QB 5.500 . 5.500 3.756 3.429 4.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 32 MET HB3 1 50 LEU QD 5.440 . 5.440 2.227 2.038 2.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 32 MET HB3 1 62 LEU MD2 5.500 . 5.500 4.852 4.703 5.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 32 MET ME 1 62 LEU MD1 5.500 . 5.500 3.932 3.332 4.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 32 MET ME 1 62 LEU MD2 5.500 . 5.500 2.606 2.162 3.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 32 MET QG 1 33 THR H 5.340 . 5.340 3.872 3.665 4.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 32 MET QG 1 48 CYS HA 5.340 . 5.340 4.313 3.970 4.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 32 MET QG 1 62 LEU MD1 5.340 . 5.340 2.978 2.545 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 32 MET HG2 1 48 CYS QB 5.500 . 5.500 3.676 2.440 4.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 32 MET HG2 1 62 LEU MD2 5.500 . 5.500 3.263 2.892 3.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 32 MET HG3 1 48 CYS QB 5.500 . 5.500 2.350 2.031 2.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 32 MET HG3 1 62 LEU MD2 5.500 . 5.500 3.618 3.088 4.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 33 THR H 1 33 THR HB 3.260 . 3.260 2.580 2.513 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 33 THR H 1 33 THR MG 4.060 . 4.060 3.817 3.740 3.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 33 THR H 1 34 VAL H 5.370 . 5.370 4.559 4.471 4.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 33 THR H 1 48 CYS HA 5.130 . 5.130 4.906 4.602 5.167 0.037 37 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 33 THR H 1 48 CYS QB 4.260 . 4.260 4.039 3.618 4.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 33 THR H 1 49 SER H 3.500 . 3.500 3.043 2.731 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 33 THR H 1 49 SER QB 4.440 . 4.440 3.928 3.339 4.598 0.158 26 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 33 THR H 1 50 LEU QD 4.310 . 4.310 4.310 4.095 4.568 0.258 35 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 33 THR HA 1 34 VAL H 3.070 . 3.070 2.200 2.079 2.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 33 THR HA 1 34 VAL MG2 5.500 . 5.500 3.784 3.602 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 33 THR HB 1 34 VAL H 5.500 . 5.500 4.111 3.700 4.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 33 THR HB 1 35 LEU MD1 5.500 . 5.500 4.721 4.288 5.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 33 THR HB 1 35 LEU MD2 5.500 . 5.500 3.323 2.855 3.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 33 THR HB 1 49 SER H 3.910 . 3.910 3.352 3.164 3.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 33 THR HB 1 49 SER HB2 5.500 . 5.500 4.208 2.584 4.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 33 THR HB 1 49 SER HB3 5.500 . 5.500 3.348 2.395 4.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 33 THR MG 1 34 VAL H 3.590 . 3.590 2.668 2.407 2.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 33 THR MG 1 35 LEU H 5.500 . 5.500 4.363 4.109 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 33 THR MG 1 35 LEU HG 5.500 . 5.500 3.773 3.342 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 33 THR MG 1 49 SER H 4.840 . 4.840 4.447 4.261 4.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 33 THR MG 1 49 SER QB 5.340 . 5.340 4.210 3.607 4.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 34 VAL H 1 34 VAL HB 3.450 . 3.450 2.499 2.412 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 34 VAL H 1 34 VAL MG1 4.250 . 4.250 3.820 3.766 3.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 34 VAL H 1 34 VAL MG2 3.330 . 3.330 2.596 2.320 2.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 34 VAL H 1 35 LEU H 4.690 . 4.690 4.433 4.281 4.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 34 VAL HA 1 35 LEU H 3.120 . 3.120 2.125 2.059 2.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 34 VAL HA 1 35 LEU HG 5.500 . 5.500 3.773 3.527 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 34 VAL HA 1 36 GLU H 4.290 . 4.290 3.949 3.795 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 34 VAL HA 1 48 CYS HA 5.500 . 5.500 2.315 2.212 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 34 VAL HA 1 48 CYS QB 5.500 . 5.500 3.574 3.268 3.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 34 VAL HA 1 48 CYS HG 5.500 . 5.500 4.126 3.942 4.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 34 VAL HA 1 49 SER H 4.230 . 4.230 3.872 3.686 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 34 VAL HB 1 35 LEU H 4.640 . 4.640 4.289 4.190 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 34 VAL MG1 1 35 LEU H 3.820 . 3.820 2.799 2.682 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 34 VAL MG1 1 35 LEU HA 5.500 . 5.500 4.034 3.912 4.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 34 VAL MG1 1 35 LEU HG 5.500 . 5.500 4.887 4.662 5.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 34 VAL MG1 1 36 GLU H 3.630 . 3.630 2.870 2.690 3.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 34 VAL MG1 1 36 GLU HA 5.500 . 5.500 3.819 3.408 4.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 34 VAL MG1 1 37 ARG H 4.960 . 4.960 4.594 4.212 4.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 34 VAL MG1 1 37 ARG HA 5.500 . 5.500 3.886 3.559 4.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 34 VAL MG1 1 37 ARG QB 5.500 . 5.500 4.236 3.113 4.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 34 VAL MG1 1 37 ARG HD2 5.500 . 5.500 4.355 3.595 5.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 34 VAL MG1 1 37 ARG HD3 5.500 . 5.500 3.574 2.555 4.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 34 VAL MG1 1 37 ARG QG 5.340 . 5.340 2.546 2.165 4.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 34 VAL MG1 1 46 TRP HA 5.500 . 5.500 3.986 3.849 4.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 34 VAL MG1 1 46 TRP HB2 5.500 . 5.500 3.354 3.166 3.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 34 VAL MG1 1 46 TRP HB3 5.500 . 5.500 2.146 2.061 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 34 VAL MG1 1 46 TRP HE3 5.500 . 5.500 2.865 2.396 3.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 34 VAL MG1 1 46 TRP HZ3 5.500 . 5.500 4.213 3.729 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 34 VAL MG1 1 47 LEU H 4.640 . 4.640 3.549 3.348 3.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 34 VAL MG1 1 47 LEU QB 5.340 . 5.340 4.270 4.089 4.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 34 VAL MG1 1 48 CYS HA 5.500 . 5.500 3.911 3.578 4.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 34 VAL MG1 1 48 CYS HG 5.500 . 5.500 3.978 3.771 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 34 VAL MG2 1 35 LEU H 5.500 . 5.500 4.049 3.971 4.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 34 VAL MG2 1 46 TRP H 5.500 . 5.500 5.652 5.515 5.903 0.403 40 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 34 VAL MG2 1 46 TRP HE3 5.500 . 5.500 2.186 2.069 2.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 34 VAL MG2 1 46 TRP HZ3 5.500 . 5.500 3.057 2.781 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 34 VAL MG2 1 48 CYS HA 5.500 . 5.500 3.759 3.547 4.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 34 VAL MG2 1 48 CYS HG 5.500 . 5.500 3.546 3.410 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 35 LEU H 1 35 LEU MD1 4.450 . 4.450 3.723 3.478 3.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 35 LEU H 1 35 LEU MD2 4.710 . 4.710 3.572 3.273 3.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 35 LEU H 1 35 LEU HG 3.460 . 3.460 2.539 2.322 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 35 LEU H 1 36 GLU H 3.130 . 3.130 2.254 2.062 2.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 35 LEU H 1 47 LEU QB 4.830 . 4.830 3.536 3.362 3.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 35 LEU H 1 48 CYS HA 3.520 . 3.520 2.741 2.489 3.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 35 LEU H 1 48 CYS QB 5.500 . 5.500 4.686 4.472 4.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 35 LEU H 1 49 SER H 5.080 . 5.080 4.481 4.165 4.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 35 LEU QB 1 36 GLU H 3.220 . 3.220 2.467 2.278 2.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 35 LEU QB 1 36 GLU QB 5.180 . 5.180 3.212 2.882 3.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 35 LEU HB2 1 36 GLU H 3.750 . 3.750 2.511 2.307 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 35 LEU HB3 1 36 GLU H 3.750 . 3.750 3.628 3.405 3.793 0.043 23 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 35 LEU MD1 1 36 GLU H 5.190 . 5.190 4.373 4.167 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 35 LEU MD1 1 48 CYS H 5.500 . 5.500 4.815 4.458 5.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 35 LEU MD1 1 48 CYS HA 5.500 . 5.500 4.084 3.589 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 35 LEU MD1 1 49 SER H 5.260 . 5.260 4.221 3.783 4.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 35 LEU MD1 1 49 SER HB2 5.500 . 5.500 2.911 2.058 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 35 LEU MD1 1 49 SER HB3 5.500 . 5.500 3.034 2.090 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 35 LEU MD1 1 54 GLN QB 5.500 . 5.500 2.920 2.204 3.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 35 LEU MD1 1 54 GLN QE 4.470 . 4.470 3.311 1.920 4.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 35 LEU MD1 1 54 GLN HG2 5.500 . 5.500 3.405 2.150 4.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 35 LEU MD1 1 54 GLN HG3 5.500 . 5.500 3.581 2.341 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 35 LEU MD2 1 36 GLU H 5.500 . 5.500 4.694 4.564 4.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 35 LEU MD2 1 48 CYS HA 5.500 . 5.500 4.610 4.042 5.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 35 LEU MD2 1 49 SER H 5.500 . 5.500 4.403 3.766 5.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 35 LEU HG 1 36 GLU H 4.880 . 4.880 4.211 4.007 4.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 35 LEU HG 1 48 CYS HA 5.500 . 5.500 3.232 2.815 3.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 35 LEU HG 1 48 CYS QB 5.500 . 5.500 5.016 4.689 5.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 35 LEU HG 1 49 SER H 4.260 . 4.260 3.634 3.253 4.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 35 LEU HG 1 49 SER QB 5.340 . 5.340 3.215 2.701 3.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 36 GLU H 1 39 THR HB 5.110 . 5.110 4.807 4.505 5.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 36 GLU H 1 46 TRP HA 5.500 . 5.500 4.871 4.689 5.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 36 GLU H 1 46 TRP HB3 4.690 . 4.690 4.270 4.001 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 36 GLU H 1 47 LEU H 3.520 . 3.520 3.063 2.921 3.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 36 GLU H 1 47 LEU QB 3.640 . 3.640 2.439 2.042 2.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 36 GLU H 1 47 LEU QD 4.110 . 4.110 3.652 3.364 3.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 36 GLU H 1 47 LEU HG 5.360 . 5.360 4.306 3.880 4.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 36 GLU H 1 48 CYS HA 5.500 . 5.500 4.554 4.302 4.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 36 GLU HA 1 37 ARG H 3.000 . 3.000 2.480 2.364 2.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 36 GLU QB 1 37 ARG H 4.100 . 4.100 2.967 2.217 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 36 GLU QB 1 39 THR HA 5.340 . 5.340 4.180 3.512 4.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 36 GLU QB 1 39 THR MG 5.340 . 5.340 4.340 3.562 5.380 0.040 33 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 36 GLU QB 1 47 LEU QD 5.280 . 5.280 3.000 2.294 4.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 36 GLU HB2 1 39 THR HB 5.500 . 5.500 4.304 3.319 5.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 36 GLU HB3 1 39 THR HB 5.500 . 5.500 3.434 2.131 5.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 36 GLU QG 1 39 THR HA 5.340 . 5.340 3.407 2.697 4.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 36 GLU QG 1 47 LEU QB 5.180 . 5.180 3.326 1.947 4.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 36 GLU QG 1 47 LEU QD 4.850 . 4.850 3.442 2.224 4.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 36 GLU HG2 1 39 THR HB 5.500 . 5.500 3.709 2.882 5.523 0.023 16 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 36 GLU HG3 1 39 THR HB 5.500 . 5.500 3.470 2.110 5.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 37 ARG H 1 37 ARG QB 3.410 . 3.410 2.658 2.537 3.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 37 ARG H 1 37 ARG HG2 4.470 . 4.470 3.953 2.267 4.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 37 ARG H 1 37 ARG QG 3.640 . 3.640 3.019 2.228 3.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 37 ARG H 1 37 ARG HG3 4.470 . 4.470 3.156 2.854 3.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 37 ARG H 1 47 LEU QB 5.340 . 5.340 5.001 4.745 5.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 37 ARG HA 1 38 ASP H 3.240 . 3.240 2.285 2.208 2.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 37 ARG HA 1 38 ASP HA 5.500 . 5.500 4.431 4.351 4.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 37 ARG HA 1 39 THR H 4.240 . 4.240 3.415 3.184 3.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 37 ARG HA 1 46 TRP HA 5.500 . 5.500 2.080 1.974 2.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 37 ARG HA 1 46 TRP HB3 5.500 . 5.500 3.229 2.826 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 37 ARG HA 1 46 TRP HD1 5.500 . 5.500 2.657 2.327 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 37 ARG HA 1 46 TRP HE1 4.840 . 4.840 4.504 4.179 4.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 37 ARG HA 1 47 LEU H 4.310 . 4.310 3.133 2.905 3.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 37 ARG QB 1 38 ASP H 5.500 . 5.500 2.654 2.380 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 37 ARG QB 1 46 TRP HE1 4.340 . 4.340 3.105 2.782 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 37 ARG QD 1 38 ASP H 5.340 . 5.340 4.692 4.272 5.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 37 ARG QD 1 46 TRP HE3 5.340 . 5.340 4.689 3.860 5.346 0.006 2 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 37 ARG QD 1 46 TRP HH2 5.340 . 5.340 4.464 3.839 5.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 37 ARG QD 1 64 ILE MD 5.340 . 5.340 4.066 3.075 5.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 37 ARG HD2 1 46 TRP HZ2 5.500 . 5.500 3.849 3.144 5.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 37 ARG HD3 1 46 TRP HZ2 5.500 . 5.500 4.191 3.342 5.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 37 ARG QG 1 46 TRP HE1 4.490 . 4.490 3.892 3.428 4.496 0.006 24 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 38 ASP H 1 39 THR H 3.720 . 3.720 2.565 2.412 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 38 ASP H 1 45 TRP H 4.460 . 4.460 3.673 3.414 4.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 38 ASP H 1 45 TRP QB 4.590 . 4.590 4.270 3.985 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 38 ASP H 1 46 TRP HA 3.970 . 3.970 2.893 2.531 3.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 38 ASP H 1 46 TRP HD1 3.300 . 3.300 2.216 1.781 2.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 38 ASP H 1 46 TRP HE1 4.520 . 4.520 4.001 3.511 4.523 0.003 29 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 38 ASP HA 1 39 THR H 3.420 . 3.420 2.714 2.622 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 38 ASP HA 1 43 ASP HA 5.500 . 5.500 3.459 2.384 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 38 ASP HA 1 44 GLY H 4.290 . 4.290 3.769 3.184 4.294 0.004 27 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 38 ASP HA 1 45 TRP H 3.830 . 3.830 3.142 2.730 3.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 38 ASP HA 1 46 TRP HD1 5.500 . 5.500 4.063 3.507 4.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 38 ASP QB 1 44 GLY H 4.820 . 4.820 3.927 3.444 4.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 38 ASP QB 1 45 TRP H 4.970 . 4.970 4.657 4.194 5.010 0.040 37 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 38 ASP HB2 1 39 THR H 5.500 . 5.500 4.352 4.150 4.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 38 ASP HB2 1 43 ASP HA 5.500 . 5.500 4.154 2.821 5.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 38 ASP HB3 1 39 THR H 5.500 . 5.500 4.418 4.195 4.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 38 ASP HB3 1 43 ASP HA 5.500 . 5.500 3.752 2.377 5.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 39 THR H 1 39 THR HB 3.740 . 3.740 2.445 2.349 2.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 39 THR H 1 39 THR MG 3.080 . 3.080 2.117 1.900 2.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 39 THR H 1 46 TRP HA 4.050 . 4.050 3.299 2.997 3.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 39 THR H 1 46 TRP HD1 5.100 . 5.100 4.242 3.806 4.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 39 THR H 1 47 LEU QB 4.640 . 4.640 4.432 4.143 4.676 0.036 25 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 39 THR HA 1 40 GLN H 3.550 . 3.550 3.420 3.253 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 39 THR HA 1 40 GLN HB2 5.500 . 5.500 5.290 5.001 5.547 0.047 6 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 39 THR HB 1 40 GLN H 5.500 . 5.500 4.230 4.071 4.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 39 THR HB 1 46 TRP HA 5.500 . 5.500 3.771 3.241 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 39 THR HB 1 47 LEU H 4.510 . 4.510 2.982 2.570 3.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 39 THR HB 1 47 LEU HB2 5.500 . 5.500 2.525 2.230 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 39 THR HB 1 47 LEU HB3 5.500 . 5.500 3.481 3.242 3.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 39 THR MG 1 40 GLN H 4.960 . 4.960 2.672 2.436 3.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 39 THR MG 1 40 GLN HB3 5.500 . 5.500 4.015 3.593 4.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 39 THR MG 1 40 GLN QG 5.340 . 5.340 3.689 2.081 4.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 39 THR MG 1 42 LEU MD1 5.500 . 5.500 4.958 4.106 5.570 0.070 33 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 39 THR MG 1 45 TRP HB2 5.500 . 5.500 3.765 3.351 4.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 39 THR MG 1 45 TRP HB3 5.500 . 5.500 3.290 2.879 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 39 THR MG 1 46 TRP H 5.500 . 5.500 4.290 3.700 4.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 39 THR MG 1 46 TRP HA 5.500 . 5.500 3.276 2.901 3.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 39 THR MG 1 47 LEU H 4.050 . 4.050 3.100 2.827 3.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 39 THR MG 1 47 LEU HA 5.500 . 5.500 2.879 2.730 3.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 39 THR MG 1 47 LEU HB2 5.500 . 5.500 2.215 2.016 2.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 39 THR MG 1 47 LEU HB3 5.500 . 5.500 3.672 3.473 3.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 39 THR MG 1 56 ILE HA 5.500 . 5.500 3.324 2.984 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 39 THR MG 1 56 ILE HB 5.500 . 5.500 3.399 3.037 3.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 39 THR MG 1 56 ILE MD 5.500 . 5.500 4.161 3.851 4.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 39 THR MG 1 56 ILE MG 5.500 . 5.500 2.180 2.053 2.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 40 GLN H 1 40 GLN HB2 3.980 . 3.980 2.565 2.274 2.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 40 GLN H 1 40 GLN QG 4.380 . 4.380 3.988 3.110 4.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 40 GLN H 1 41 GLY H 3.980 . 3.980 2.213 1.899 2.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 40 GLN HB2 1 42 LEU MD1 5.500 . 5.500 3.493 2.705 4.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 40 GLN HB3 1 42 LEU MD1 5.500 . 5.500 2.681 2.476 3.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 40 GLN HG2 1 56 ILE MG 5.500 . 5.500 4.093 2.355 5.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 40 GLN HG3 1 56 ILE MG 5.500 . 5.500 3.772 2.200 4.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 42 LEU H 1 42 LEU HB2 3.940 . 3.940 2.493 2.380 2.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 42 LEU H 1 42 LEU QB 3.130 . 3.130 2.454 2.348 2.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 42 LEU H 1 42 LEU HB3 3.940 . 3.940 3.664 3.587 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 42 LEU H 1 42 LEU MD1 4.220 . 4.220 3.799 3.514 4.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 42 LEU H 1 42 LEU MD2 4.680 . 4.680 3.743 3.463 4.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 42 LEU H 1 42 LEU HG 3.290 . 3.290 2.739 2.296 3.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 42 LEU HA 1 43 ASP H 2.730 . 2.730 2.170 2.108 2.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 42 LEU QB 1 45 TRP H 4.290 . 4.290 3.595 3.247 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 42 LEU HB2 1 45 TRP H 4.910 . 4.910 3.883 3.582 4.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 42 LEU HB2 1 45 TRP HB2 5.500 . 5.500 2.451 2.174 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 42 LEU HB2 1 45 TRP HB3 5.500 . 5.500 3.800 3.505 4.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 42 LEU HB2 1 45 TRP HD1 5.500 . 5.500 2.876 2.342 3.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 42 LEU HB3 1 45 TRP H 4.910 . 4.910 4.253 3.716 4.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 42 LEU HB3 1 45 TRP HB2 5.500 . 5.500 3.542 2.893 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 42 LEU HB3 1 45 TRP HB3 5.500 . 5.500 4.925 4.232 5.516 0.016 33 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 42 LEU HB3 1 45 TRP HD1 5.500 . 5.500 2.329 2.018 2.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 42 LEU MD1 1 45 TRP HB2 5.500 . 5.500 3.580 2.952 4.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 42 LEU MD1 1 45 TRP HB3 5.500 . 5.500 3.984 3.456 4.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 42 LEU MD1 1 45 TRP HD1 5.500 . 5.500 3.361 2.695 3.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 42 LEU MD1 1 45 TRP HE1 4.870 . 4.870 3.388 2.773 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 42 LEU MD1 1 56 ILE MD 5.500 . 5.500 3.359 2.524 4.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 42 LEU MD1 1 56 ILE MG 5.500 . 5.500 4.547 3.460 5.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 42 LEU MD2 1 43 ASP H 5.500 . 5.500 3.871 3.689 4.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 42 LEU MD2 1 45 TRP HD1 5.500 . 5.500 4.183 3.815 4.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 43 ASP H 1 43 ASP QB 3.570 . 3.570 2.283 2.137 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 43 ASP H 1 44 GLY H 4.590 . 4.590 4.583 4.408 4.678 0.088 37 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 43 ASP HA 1 44 GLY H 2.960 . 2.960 2.172 2.007 2.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 43 ASP HA 1 45 TRP H 3.960 . 3.960 3.492 2.762 3.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 43 ASP HB2 1 44 GLY H 5.500 . 5.500 4.088 2.662 4.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 43 ASP HB3 1 44 GLY H 5.500 . 5.500 3.840 3.058 4.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 44 GLY H 1 45 TRP H 3.490 . 3.490 2.779 2.500 3.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 45 TRP H 1 45 TRP HB2 3.780 . 3.780 2.367 2.273 2.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 45 TRP H 1 45 TRP QB 3.310 . 3.310 2.338 2.250 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 45 TRP H 1 45 TRP HB3 3.780 . 3.780 3.632 3.584 3.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 45 TRP H 1 45 TRP HD1 3.750 . 3.750 2.928 2.619 3.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 45 TRP H 1 46 TRP H 4.820 . 4.820 4.463 4.164 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 45 TRP H 1 46 TRP HD1 4.410 . 4.410 3.665 3.402 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 45 TRP HA 1 46 TRP H 3.070 . 3.070 2.167 2.074 2.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 45 TRP HA 1 46 TRP HA 5.500 . 5.500 4.401 4.293 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 45 TRP HA 1 56 ILE HB 5.500 . 5.500 4.718 4.190 5.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 45 TRP HA 1 58 PRO HA 5.500 . 5.500 2.445 2.236 2.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 45 TRP HA 1 58 PRO QB 5.340 . 5.340 4.182 3.908 4.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 45 TRP HA 1 59 GLY H 3.610 . 3.610 2.656 2.308 3.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 45 TRP QB 1 46 TRP H 4.160 . 4.160 3.337 3.020 3.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 45 TRP QB 1 56 ILE MG 5.340 . 5.340 3.715 3.325 3.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 45 TRP QB 1 57 VAL H 4.600 . 4.600 3.893 3.563 4.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 45 TRP QB 1 58 PRO HA 5.340 . 5.340 4.143 3.872 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 45 TRP QB 1 59 GLY H 5.340 . 5.340 4.762 4.437 5.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 45 TRP HB2 1 56 ILE HB 5.500 . 5.500 4.575 4.094 4.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 45 TRP HB2 1 56 ILE MD 5.500 . 5.500 4.642 4.137 5.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 45 TRP HB3 1 56 ILE HB 5.500 . 5.500 2.916 2.425 3.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 45 TRP HB3 1 56 ILE MD 5.500 . 5.500 3.610 3.127 4.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 45 TRP HE3 1 46 TRP H 4.720 . 4.720 3.953 3.494 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 45 TRP HE3 1 56 ILE HB 5.500 . 5.500 2.269 2.096 2.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 45 TRP HE3 1 56 ILE MD 5.500 . 5.500 2.781 2.543 3.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 45 TRP HE3 1 56 ILE QG 5.340 . 5.340 2.869 2.514 3.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 45 TRP HE3 1 56 ILE MG 5.500 . 5.500 3.953 3.836 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 45 TRP HE3 1 57 VAL H 4.310 . 4.310 3.014 2.775 3.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 45 TRP HE3 1 57 VAL HA 5.500 . 5.500 3.700 3.462 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 45 TRP HE3 1 58 PRO HA 5.500 . 5.500 3.705 3.495 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 45 TRP HE3 1 58 PRO HD2 5.500 . 5.500 4.959 4.726 5.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 45 TRP HE3 1 58 PRO HD3 5.500 . 5.500 3.768 3.537 4.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 45 TRP HH2 1 56 ILE MD 5.500 . 5.500 4.170 3.907 4.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 45 TRP HH2 1 58 PRO HD2 5.500 . 5.500 4.835 4.520 5.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 45 TRP HH2 1 58 PRO HD3 5.500 . 5.500 3.121 2.793 3.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 45 TRP HH2 1 58 PRO HG2 5.500 . 5.500 5.363 5.112 5.501 0.001 33 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 45 TRP HH2 1 58 PRO HG3 5.500 . 5.500 3.787 3.500 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 45 TRP HZ2 1 58 PRO HG3 5.500 . 5.500 4.570 3.864 5.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 45 TRP HZ3 1 56 ILE MD 5.500 . 5.500 3.101 2.855 3.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 45 TRP HZ3 1 56 ILE QG 5.340 . 5.340 2.488 2.245 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 45 TRP HZ3 1 58 PRO HD2 5.500 . 5.500 3.976 3.632 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 45 TRP HZ3 1 58 PRO HD3 5.500 . 5.500 2.443 2.127 2.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 45 TRP HZ3 1 58 PRO HG3 5.500 . 5.500 4.434 4.091 4.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 46 TRP H 1 46 TRP HB2 3.650 . 3.650 2.527 2.378 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 46 TRP H 1 46 TRP HB3 3.940 . 3.940 3.698 3.608 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 46 TRP H 1 46 TRP HD1 4.330 . 4.330 3.321 2.935 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 46 TRP H 1 56 ILE HA 5.380 . 5.380 4.600 4.335 4.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 46 TRP H 1 56 ILE MG 5.500 . 5.500 5.354 5.131 5.624 0.124 34 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 46 TRP H 1 57 VAL H 3.640 . 3.640 2.911 2.626 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 46 TRP H 1 57 VAL HB 4.750 . 4.750 3.785 3.502 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 46 TRP H 1 57 VAL QG 4.390 . 4.390 4.050 3.801 4.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 46 TRP H 1 58 PRO HA 4.480 . 4.480 3.503 3.294 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
870 1 46 TRP H 1 59 GLY H 4.260 . 4.260 3.077 2.735 3.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 46 TRP H 1 62 LEU MD1 4.860 . 4.860 4.541 4.328 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 46 TRP HA 1 47 LEU H 3.190 . 3.190 2.244 2.143 2.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 46 TRP HA 1 47 LEU HA 5.500 . 5.500 4.411 4.359 4.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
874 1 46 TRP HA 1 57 VAL QG 5.500 . 5.500 5.634 5.515 5.744 0.244 11 0 "[ . 1 . 2 . 3 . 4]" 1
875 1 46 TRP HB2 1 46 TRP HE1 5.260 . 5.260 5.247 5.190 5.267 0.007 30 0 "[ . 1 . 2 . 3 . 4]" 1
876 1 46 TRP HB2 1 47 LEU H 4.320 . 4.320 3.932 3.781 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
877 1 46 TRP HB2 1 48 CYS HG 5.500 . 5.500 2.854 2.624 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
878 1 46 TRP HB2 1 57 VAL H 5.500 . 5.500 4.031 3.782 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
879 1 46 TRP HB2 1 57 VAL HB 5.500 . 5.500 3.390 3.163 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
880 1 46 TRP HB2 1 57 VAL QG 5.500 . 5.500 3.879 3.670 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
881 1 46 TRP HB2 1 62 LEU MD1 5.500 . 5.500 3.170 2.908 3.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
882 1 46 TRP HB3 1 47 LEU H 3.780 . 3.780 2.912 2.725 3.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
883 1 46 TRP HB3 1 47 LEU HA 5.500 . 5.500 4.831 4.706 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
884 1 46 TRP HB3 1 48 CYS HG 5.500 . 5.500 3.544 3.283 3.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
885 1 46 TRP HB3 1 57 VAL HB 5.500 . 5.500 4.847 4.615 5.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
886 1 46 TRP HB3 1 57 VAL QG 5.500 . 5.500 5.015 4.835 5.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
887 1 46 TRP HB3 1 62 LEU MD1 5.500 . 5.500 4.180 3.826 4.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
888 1 46 TRP HD1 1 47 LEU H 4.970 . 4.970 4.647 4.422 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
889 1 46 TRP HD1 1 59 GLY HA3 5.500 . 5.500 4.310 3.911 4.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
890 1 46 TRP HE1 1 59 GLY H 5.370 . 5.370 4.650 4.373 4.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
891 1 46 TRP HE1 1 59 GLY HA2 5.500 . 5.500 5.379 4.868 5.513 0.013 16 0 "[ . 1 . 2 . 3 . 4]" 1
892 1 46 TRP HE1 1 59 GLY HA3 4.210 . 4.210 3.756 3.378 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
893 1 46 TRP HE3 1 57 VAL QG 5.500 . 5.500 4.597 4.303 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
894 1 46 TRP HE3 1 62 LEU MD1 5.500 . 5.500 2.197 2.057 2.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
895 1 46 TRP HE3 1 62 LEU MD2 5.500 . 5.500 4.887 4.632 5.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
896 1 46 TRP HH2 1 64 ILE MD 5.500 . 5.500 2.962 2.067 3.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
897 1 46 TRP HH2 1 64 ILE HG12 5.500 . 5.500 3.193 2.494 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
898 1 46 TRP HH2 1 64 ILE HG13 5.500 . 5.500 3.764 3.106 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
899 1 46 TRP HH2 1 64 ILE MG 5.500 . 5.500 5.433 5.078 5.737 0.237 39 0 "[ . 1 . 2 . 3 . 4]" 1
900 1 46 TRP HZ2 1 64 ILE MD 5.500 . 5.500 4.562 3.532 5.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
901 1 46 TRP HZ3 1 62 LEU HB2 5.500 . 5.500 2.907 2.428 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
902 1 46 TRP HZ3 1 62 LEU HB3 5.500 . 5.500 3.480 2.953 4.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
903 1 46 TRP HZ3 1 62 LEU MD1 5.500 . 5.500 2.988 2.704 3.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
904 1 46 TRP HZ3 1 64 ILE MD 5.500 . 5.500 2.368 2.108 3.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
905 1 46 TRP HZ3 1 64 ILE HG12 5.500 . 5.500 3.287 2.478 4.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
906 1 46 TRP HZ3 1 64 ILE HG13 5.500 . 5.500 4.143 2.498 5.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
907 1 47 LEU H 1 47 LEU HB2 3.810 . 3.810 2.690 2.518 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
908 1 47 LEU H 1 47 LEU QB 3.220 . 3.220 2.293 2.248 2.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
909 1 47 LEU H 1 47 LEU HB3 3.810 . 3.810 2.489 2.418 2.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
910 1 47 LEU H 1 47 LEU MD1 4.510 . 4.510 4.249 4.123 4.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
911 1 47 LEU H 1 47 LEU MD2 4.510 . 4.510 4.284 4.219 4.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
912 1 47 LEU H 1 47 LEU HG 4.720 . 4.720 4.483 4.419 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
913 1 47 LEU HA 1 48 CYS H 3.010 . 3.010 2.178 2.150 2.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
914 1 47 LEU HA 1 48 CYS HA 5.500 . 5.500 4.431 4.382 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
915 1 47 LEU HA 1 48 CYS QB 5.500 . 5.500 4.464 4.398 4.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
916 1 47 LEU HA 1 55 GLY H 4.810 . 4.810 4.166 3.911 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
917 1 47 LEU HA 1 56 ILE HA 5.500 . 5.500 2.559 2.270 2.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
918 1 47 LEU HA 1 56 ILE HB 5.500 . 5.500 4.619 4.260 4.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
919 1 47 LEU HA 1 56 ILE MG 5.500 . 5.500 3.402 3.000 3.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
920 1 47 LEU QB 1 48 CYS HA 5.340 . 5.340 4.516 4.336 4.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
921 1 47 LEU HB2 1 48 CYS H 4.650 . 4.650 4.440 4.366 4.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
922 1 47 LEU HB3 1 48 CYS H 4.650 . 4.650 4.298 4.130 4.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
923 1 47 LEU QD 1 48 CYS H 3.320 . 3.320 2.909 2.659 3.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
924 1 47 LEU QD 1 48 CYS HA 5.440 . 5.440 4.497 4.316 4.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
925 1 47 LEU QD 1 54 GLN HA 5.440 . 5.440 4.098 3.850 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
926 1 47 LEU QD 1 54 GLN QG 5.280 . 5.280 2.994 2.227 3.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
927 1 47 LEU QD 1 55 GLY H 3.490 . 3.490 2.839 2.584 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
928 1 47 LEU QD 1 55 GLY QA 4.850 . 4.850 2.884 2.644 3.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
929 1 47 LEU QD 1 56 ILE HA 5.440 . 5.440 3.190 2.774 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
930 1 47 LEU HG 1 48 CYS H 4.170 . 4.170 3.411 3.112 3.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
931 1 47 LEU HG 1 48 CYS HA 5.500 . 5.500 4.143 3.974 4.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
932 1 47 LEU HG 1 48 CYS QB 5.500 . 5.500 5.215 5.064 5.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
933 1 47 LEU HG 1 54 GLN QB 5.500 . 5.500 3.068 2.526 5.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
934 1 48 CYS H 1 48 CYS QB 3.530 . 3.530 2.562 2.495 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
935 1 48 CYS H 1 48 CYS HG 4.070 . 4.070 2.654 2.466 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
936 1 48 CYS H 1 49 SER H 5.380 . 5.380 4.515 4.472 4.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
937 1 48 CYS H 1 55 GLY H 3.550 . 3.550 2.967 2.785 3.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
938 1 48 CYS H 1 56 ILE HA 3.890 . 3.890 3.363 3.090 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
939 1 48 CYS H 1 62 LEU MD1 5.500 . 5.500 5.590 5.516 5.764 0.264 40 0 "[ . 1 . 2 . 3 . 4]" 1
940 1 48 CYS HA 1 49 SER H 3.170 . 3.170 2.379 2.299 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
941 1 48 CYS HA 1 49 SER HA 5.500 . 5.500 4.476 4.385 4.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
942 1 48 CYS QB 1 49 SER H 3.210 . 3.210 2.482 2.331 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
943 1 48 CYS QB 1 55 GLY H 4.920 . 4.920 3.990 3.758 4.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
944 1 48 CYS QB 1 57 VAL QG 5.500 . 5.500 2.167 2.063 2.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
945 1 48 CYS QB 1 62 LEU MD2 5.500 . 5.500 4.602 4.444 4.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
946 1 48 CYS HG 1 57 VAL QG 5.500 . 5.500 2.789 2.519 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
947 1 48 CYS HG 1 62 LEU MD1 5.500 . 5.500 3.450 3.310 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
948 1 49 SER H 1 49 SER HB2 3.980 . 3.980 3.384 2.722 3.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
949 1 49 SER H 1 49 SER QB 3.420 . 3.420 2.743 2.474 3.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
950 1 49 SER H 1 49 SER HB3 3.980 . 3.980 2.928 2.588 3.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
951 1 49 SER H 1 50 LEU QD 5.440 . 5.440 5.135 4.128 5.477 0.037 7 0 "[ . 1 . 2 . 3 . 4]" 1
952 1 49 SER H 1 54 GLN QB 5.500 . 5.500 5.107 4.474 5.602 0.102 34 0 "[ . 1 . 2 . 3 . 4]" 1
953 1 49 SER HA 1 50 LEU H 2.900 . 2.900 2.125 2.054 2.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
954 1 49 SER HA 1 50 LEU QB 5.340 . 5.340 3.948 3.760 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
955 1 49 SER HA 1 53 ARG H 4.700 . 4.700 4.624 4.279 4.765 0.065 35 0 "[ . 1 . 2 . 3 . 4]" 1
956 1 49 SER HA 1 54 GLN HA 5.500 . 5.500 2.081 1.953 2.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
957 1 49 SER HA 1 54 GLN QB 5.500 . 5.500 3.407 2.695 4.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
958 1 49 SER HA 1 54 GLN HG2 5.500 . 5.500 4.595 3.219 5.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
959 1 49 SER HA 1 54 GLN HG3 5.500 . 5.500 4.289 2.709 5.522 0.022 33 0 "[ . 1 . 2 . 3 . 4]" 1
960 1 49 SER HA 1 55 GLY H 3.940 . 3.940 3.628 3.378 3.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
961 1 49 SER QB 1 50 LEU H 4.060 . 4.060 3.475 2.937 3.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
962 1 49 SER QB 1 54 GLN H 5.340 . 5.340 5.242 4.796 5.582 0.242 40 0 "[ . 1 . 2 . 3 . 4]" 1
963 1 49 SER QB 1 54 GLN QG 4.530 . 4.530 3.315 2.052 4.700 0.170 37 0 "[ . 1 . 2 . 3 . 4]" 1
964 1 49 SER HB2 1 50 LEU H 4.650 . 4.650 3.822 3.014 4.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
965 1 49 SER HB2 1 54 GLN HA 5.500 . 5.500 3.740 3.269 4.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
966 1 49 SER HB2 1 54 GLN QB 5.500 . 5.500 3.647 2.306 5.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
967 1 49 SER HB3 1 50 LEU H 4.650 . 4.650 4.111 3.179 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
968 1 49 SER HB3 1 54 GLN HA 5.500 . 5.500 4.283 3.415 4.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
969 1 49 SER HB3 1 54 GLN QB 5.500 . 5.500 4.210 2.304 5.580 0.080 39 0 "[ . 1 . 2 . 3 . 4]" 1
970 1 50 LEU H 1 50 LEU HB2 3.900 . 3.900 3.369 2.887 3.965 0.065 16 0 "[ . 1 . 2 . 3 . 4]" 1
971 1 50 LEU H 1 50 LEU QB 3.320 . 3.320 2.756 2.535 3.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
972 1 50 LEU H 1 50 LEU HB3 3.900 . 3.900 2.936 2.647 3.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
973 1 50 LEU H 1 50 LEU MD1 5.500 . 5.500 4.511 3.710 4.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
974 1 50 LEU H 1 50 LEU QD 4.430 . 4.430 4.033 3.295 4.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
975 1 50 LEU H 1 50 LEU MD2 5.500 . 5.500 4.568 3.585 4.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
976 1 50 LEU H 1 53 ARG H 3.520 . 3.520 3.065 2.849 3.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
977 1 50 LEU H 1 54 GLN HA 3.930 . 3.930 3.267 3.041 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
978 1 50 LEU H 1 54 GLN QB 5.500 . 5.500 4.797 4.072 5.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
979 1 50 LEU H 1 55 GLY H 4.960 . 4.960 4.945 4.630 5.077 0.117 34 0 "[ . 1 . 2 . 3 . 4]" 1
980 1 50 LEU QD 1 57 VAL QG 5.440 . 5.440 4.053 3.276 4.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
981 1 51 HIS QB 1 53 ARG H 4.160 . 4.160 3.475 3.139 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
982 1 52 GLY H 1 53 ARG H 4.240 . 4.240 2.639 2.323 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
983 1 53 ARG H 1 53 ARG QB 3.090 . 3.090 2.725 2.443 3.182 0.092 39 0 "[ . 1 . 2 . 3 . 4]" 1
984 1 53 ARG H 1 53 ARG HG2 4.040 . 4.040 3.501 2.311 4.062 0.022 10 0 "[ . 1 . 2 . 3 . 4]" 1
985 1 53 ARG H 1 53 ARG QG 3.460 . 3.460 2.751 2.280 3.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
986 1 53 ARG H 1 53 ARG HG3 4.040 . 4.040 3.054 2.523 3.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
987 1 53 ARG QB 1 54 GLN H 5.500 . 5.500 2.473 2.294 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
988 1 53 ARG QG 1 54 GLN H 5.340 . 5.340 3.825 3.233 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
989 1 54 GLN H 1 54 GLN HG2 5.500 . 5.500 3.471 2.226 4.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
990 1 54 GLN H 1 54 GLN HG3 5.500 . 5.500 3.447 2.648 4.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
991 1 54 GLN H 1 55 GLY H 4.580 . 4.580 4.425 4.230 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
992 1 54 GLN HA 1 55 GLY H 2.890 . 2.890 2.318 2.181 2.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
993 1 54 GLN QB 1 55 GLY H 3.500 . 3.500 2.761 2.447 3.606 0.106 35 0 "[ . 1 . 2 . 3 . 4]" 1
994 1 54 GLN QG 1 55 GLY H 4.330 . 4.330 3.855 2.498 4.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
995 1 54 GLN HG2 1 55 GLY H 4.990 . 4.990 4.533 2.656 4.994 0.004 18 0 "[ . 1 . 2 . 3 . 4]" 1
996 1 54 GLN HG3 1 55 GLY H 4.990 . 4.990 4.279 2.977 5.034 0.044 38 0 "[ . 1 . 2 . 3 . 4]" 1
997 1 55 GLY H 1 57 VAL QG 5.500 . 5.500 4.163 3.873 4.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
998 1 55 GLY HA2 1 56 ILE H 3.400 . 3.400 2.466 2.316 2.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
999 1 55 GLY HA2 1 56 ILE MG 5.500 . 5.500 3.566 3.413 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1000 1 55 GLY HA3 1 56 ILE H 3.400 . 3.400 2.725 2.559 2.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1001 1 55 GLY HA3 1 56 ILE MG 5.500 . 5.500 4.455 4.261 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1002 1 56 ILE H 1 56 ILE MD 4.240 . 4.240 3.793 3.712 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1003 1 56 ILE H 1 56 ILE HG12 3.640 . 3.640 2.196 2.050 2.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1004 1 56 ILE H 1 56 ILE HG13 3.640 . 3.640 3.227 3.039 3.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1005 1 56 ILE H 1 56 ILE MG 3.130 . 3.130 2.296 2.168 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1006 1 56 ILE H 1 57 VAL QG 5.500 . 5.500 4.378 4.258 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1007 1 56 ILE HA 1 57 VAL H 3.010 . 3.010 2.194 2.096 2.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1008 1 56 ILE HA 1 57 VAL QG 5.500 . 5.500 3.498 3.332 3.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1009 1 56 ILE HB 1 57 VAL H 3.460 . 3.460 2.898 2.799 3.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1010 1 56 ILE MD 1 57 VAL H 4.700 . 4.700 4.644 4.525 4.766 0.066 34 0 "[ . 1 . 2 . 3 . 4]" 1
1011 1 56 ILE MD 1 58 PRO QD 5.350 . 5.350 4.900 4.704 5.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1012 1 56 ILE QG 1 57 VAL H 4.430 . 4.430 3.822 3.664 3.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1013 1 56 ILE MG 1 57 VAL H 4.130 . 4.130 3.915 3.813 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1014 1 57 VAL H 1 57 VAL HB 3.670 . 3.670 2.702 2.591 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1015 1 57 VAL H 1 57 VAL QG 3.420 . 3.420 2.938 2.856 3.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1016 1 57 VAL H 1 58 PRO HA 4.990 . 4.990 4.622 4.519 4.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1017 1 57 VAL H 1 59 GLY H 5.330 . 5.330 5.269 5.034 5.433 0.103 36 0 "[ . 1 . 2 . 3 . 4]" 1
1018 1 57 VAL HA 1 58 PRO HG3 5.500 . 5.500 4.686 4.627 4.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1019 1 57 VAL HA 1 62 LEU MD1 5.500 . 5.500 5.052 4.946 5.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1020 1 57 VAL HB 1 58 PRO HD2 5.500 . 5.500 4.439 4.349 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1021 1 57 VAL HB 1 58 PRO HD3 5.500 . 5.500 5.240 5.123 5.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1022 1 57 VAL HB 1 62 LEU MD1 5.500 . 5.500 2.894 2.693 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1023 1 57 VAL HB 1 62 LEU MD2 5.500 . 5.500 4.232 4.033 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1024 1 57 VAL QG 1 58 PRO HD2 5.500 . 5.500 2.143 2.051 2.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1025 1 57 VAL QG 1 58 PRO HD3 5.500 . 5.500 3.423 3.332 3.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1026 1 57 VAL QG 1 58 PRO HG2 5.500 . 5.500 3.357 3.231 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1027 1 57 VAL QG 1 61 ARG H 4.910 . 4.910 4.281 3.996 4.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1028 1 57 VAL QG 1 62 LEU MD1 5.500 . 5.500 2.102 1.954 2.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1029 1 57 VAL QG 1 62 LEU MD2 5.500 . 5.500 2.144 2.058 2.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1030 1 58 PRO HA 1 59 GLY H 2.920 . 2.920 2.159 2.017 2.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1031 1 58 PRO HA 1 59 GLY HA2 5.500 . 5.500 4.415 4.301 4.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1032 1 58 PRO HA 1 59 GLY HA3 5.500 . 5.500 4.374 4.169 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1033 1 58 PRO QB 1 59 GLY H 3.860 . 3.860 3.547 3.400 3.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1034 1 58 PRO QB 1 60 ASN H 4.990 . 4.990 3.153 2.905 3.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1035 1 58 PRO QB 1 61 ARG H 5.340 . 5.340 3.335 3.013 3.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1036 1 58 PRO HB2 1 59 GLY H 4.570 . 4.570 3.816 3.644 3.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1037 1 58 PRO HB3 1 59 GLY H 4.570 . 4.570 4.218 4.023 4.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1038 1 58 PRO QD 1 59 GLY H 4.960 . 4.960 4.916 4.824 4.961 0.001 39 0 "[ . 1 . 2 . 3 . 4]" 1
1039 1 58 PRO HG2 1 61 ARG H 5.500 . 5.500 3.615 3.345 3.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1040 1 58 PRO HG2 1 61 ARG HD2 5.500 . 5.500 2.486 2.178 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1041 1 58 PRO HG2 1 61 ARG HD3 5.500 . 5.500 4.051 3.708 4.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1042 1 58 PRO HG2 1 62 LEU MD2 5.500 . 5.500 5.174 4.644 5.526 0.026 38 0 "[ . 1 . 2 . 3 . 4]" 1
1043 1 58 PRO HG3 1 61 ARG HD2 5.500 . 5.500 3.185 2.619 4.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1044 1 58 PRO HG3 1 61 ARG HD3 5.500 . 5.500 4.704 4.200 5.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1045 1 59 GLY H 1 60 ASN H 3.810 . 3.810 2.753 2.588 2.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1046 1 59 GLY HA2 1 62 LEU H 4.510 . 4.510 3.503 3.155 3.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1047 1 59 GLY HA2 1 62 LEU MD1 5.500 . 5.500 2.266 2.050 2.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1048 1 59 GLY HA3 1 61 ARG H 4.710 . 4.710 4.320 4.093 4.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1049 1 59 GLY HA3 1 62 LEU MD1 5.500 . 5.500 3.537 3.329 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1050 1 60 ASN H 1 60 ASN HB2 4.030 . 4.030 2.403 2.132 2.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1051 1 60 ASN H 1 60 ASN QB 3.390 . 3.390 2.262 2.113 2.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1052 1 60 ASN H 1 60 ASN HB3 4.030 . 4.030 2.968 2.368 3.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1053 1 60 ASN H 1 61 ARG H 3.720 . 3.720 2.666 2.583 2.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1054 1 60 ASN H 1 61 ARG QG 5.330 . 5.330 4.256 4.005 4.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1055 1 60 ASN HA 1 62 LEU H 4.190 . 4.190 3.551 3.329 3.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1056 1 61 ARG H 1 61 ARG HB2 3.820 . 3.820 2.494 2.365 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1057 1 61 ARG H 1 61 ARG QB 3.120 . 3.120 2.457 2.336 2.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1058 1 61 ARG H 1 61 ARG HB3 3.820 . 3.820 3.686 3.615 3.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1059 1 61 ARG H 1 61 ARG HD2 5.500 . 5.500 4.590 4.304 5.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1060 1 61 ARG H 1 61 ARG HD3 5.500 . 5.500 5.192 5.028 5.528 0.028 36 0 "[ . 1 . 2 . 3 . 4]" 1
1061 1 61 ARG H 1 61 ARG HG2 3.860 . 3.860 3.662 3.385 3.880 0.020 23 0 "[ . 1 . 2 . 3 . 4]" 1
1062 1 61 ARG H 1 61 ARG QG 3.210 . 3.210 2.706 2.477 3.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1063 1 61 ARG H 1 61 ARG HG3 3.860 . 3.860 2.790 2.529 3.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1064 1 61 ARG H 1 62 LEU H 3.010 . 3.010 2.454 2.112 2.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1065 1 61 ARG H 1 62 LEU MD1 4.940 . 4.940 4.710 4.468 4.963 0.023 37 0 "[ . 1 . 2 . 3 . 4]" 1
1066 1 61 ARG H 1 62 LEU MD2 4.980 . 4.980 4.558 4.235 4.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1067 1 61 ARG H 1 62 LEU HG 4.120 . 4.120 3.525 3.225 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1068 1 61 ARG HA 1 61 ARG HD2 5.500 . 5.500 4.600 4.237 4.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1069 1 61 ARG HA 1 61 ARG HD3 5.500 . 5.500 4.141 3.981 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1070 1 61 ARG HB2 1 62 LEU H 5.070 . 5.070 3.765 3.644 3.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1071 1 61 ARG HB2 1 62 LEU MD2 5.500 . 5.500 3.689 3.121 4.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1072 1 61 ARG HB3 1 62 LEU H 5.070 . 5.070 4.376 4.292 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1073 1 61 ARG HB3 1 62 LEU MD2 5.500 . 5.500 4.029 3.617 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1074 1 61 ARG QD 1 62 LEU MD2 5.340 . 5.340 4.984 4.367 5.453 0.113 38 0 "[ . 1 . 2 . 3 . 4]" 1
1075 1 62 LEU H 1 62 LEU HB2 3.240 . 3.240 2.584 2.440 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1076 1 62 LEU H 1 62 LEU HB3 3.940 . 3.940 3.733 3.642 3.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1077 1 62 LEU H 1 62 LEU MD1 4.360 . 4.360 4.062 3.959 4.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1078 1 62 LEU H 1 62 LEU MD2 4.250 . 4.250 3.769 3.537 3.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1079 1 62 LEU H 1 62 LEU HG 3.510 . 3.510 2.994 2.847 3.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1080 1 62 LEU H 1 63 LYS H 5.050 . 5.050 4.519 4.441 4.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1081 1 62 LEU HA 1 63 LYS H 3.010 . 3.010 2.264 2.132 2.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1082 1 62 LEU HB2 1 63 LYS H 4.860 . 4.860 3.817 3.587 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1083 1 62 LEU HB3 1 63 LYS H 3.630 . 3.630 2.707 2.434 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1084 1 62 LEU MD1 1 63 LYS H 5.100 . 5.100 4.580 4.325 4.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1085 1 62 LEU MD2 1 63 LYS H 4.010 . 4.010 3.545 3.165 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1086 1 63 LYS H 1 63 LYS HB2 3.510 . 3.510 3.041 2.698 3.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1087 1 63 LYS H 1 63 LYS HB3 3.610 . 3.610 2.721 2.540 2.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1088 1 63 LYS HA 1 64 ILE H 2.880 . 2.880 2.146 2.094 2.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1089 1 63 LYS HA 1 64 ILE HB 5.500 . 5.500 4.581 4.397 4.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1090 1 63 LYS HA 1 64 ILE MD 5.500 . 5.500 4.695 3.028 5.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1091 1 63 LYS HB3 1 64 ILE H 4.820 . 4.820 4.270 4.089 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1092 1 63 LYS HB3 1 64 ILE HA 5.500 . 5.500 5.261 5.053 5.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1093 1 63 LYS QD 1 64 ILE H 5.220 . 5.220 4.293 2.511 5.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1094 1 63 LYS QG 1 64 ILE H 3.920 . 3.920 3.114 2.752 3.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1095 1 64 ILE H 1 64 ILE HB 3.060 . 3.060 2.505 2.337 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1096 1 64 ILE H 1 64 ILE MD 4.080 . 4.080 3.334 1.783 3.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1097 1 64 ILE H 1 64 ILE QG 3.320 . 3.320 2.143 1.938 2.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1098 1 64 ILE H 1 64 ILE MG 3.860 . 3.860 3.801 3.735 3.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1099 1 64 ILE HA 1 65 LEU H 3.020 . 3.020 2.173 2.098 2.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1100 1 64 ILE HB 1 65 LEU H 4.620 . 4.620 4.162 4.024 4.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1101 1 64 ILE MD 1 65 LEU H 5.500 . 5.500 3.819 3.423 5.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1102 1 64 ILE MG 1 65 LEU H 3.470 . 3.470 2.538 2.335 2.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1103 1 64 ILE MG 1 66 VAL H 5.500 . 5.500 4.395 3.175 5.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1104 1 65 LEU H 1 65 LEU QB 3.250 . 3.250 2.379 2.008 3.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1105 1 65 LEU H 1 65 LEU QD 5.010 . 5.010 3.275 2.226 4.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1106 1 65 LEU H 1 65 LEU HG 4.760 . 4.760 3.924 2.474 4.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1107 1 65 LEU H 1 66 VAL H 4.400 . 4.400 4.340 3.819 4.529 0.129 34 0 "[ . 1 . 2 . 3 . 4]" 1
1108 1 65 LEU HA 1 66 VAL H 3.140 . 3.140 2.364 2.086 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1109 1 65 LEU HA 1 66 VAL QG 5.500 . 5.500 3.733 3.130 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1110 1 65 LEU QB 1 66 VAL H 4.300 . 4.300 2.964 1.687 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1111 1 65 LEU QD 1 66 VAL H 4.790 . 4.790 3.166 1.937 4.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1112 1 65 LEU MD1 1 66 VAL H 5.500 . 5.500 3.827 1.943 5.612 0.112 37 0 "[ . 1 . 2 . 3 . 4]" 1
1113 1 65 LEU MD2 1 66 VAL H 5.500 . 5.500 3.966 1.959 5.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1114 1 66 VAL H 1 66 VAL HB 3.790 . 3.790 3.328 2.487 3.824 0.034 25 0 "[ . 1 . 2 . 3 . 4]" 1
1115 1 66 VAL H 1 66 VAL QG 3.360 . 3.360 2.335 1.832 2.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1116 1 69 TYR H 1 69 TYR QB 3.630 . 3.630 2.622 2.029 3.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1117 1 71 LYS HA 1 72 LYS QD 5.500 . 5.500 4.699 3.092 5.702 0.202 37 0 "[ . 1 . 2 . 3 . 4]" 1
1118 1 72 LYS QB 1 73 PRO QD 4.760 . 4.760 2.405 2.034 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1119 1 72 LYS QG 1 73 PRO QD 5.350 . 5.350 3.425 2.226 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1120 1 77 PHE HA 1 78 ILE H 3.550 . 3.550 2.444 2.100 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1121 1 78 ILE H 1 78 ILE HB 3.880 . 3.880 3.363 2.499 3.900 0.020 34 0 "[ . 1 . 2 . 3 . 4]" 1
1122 1 78 ILE H 1 78 ILE MD 5.160 . 5.160 4.052 2.075 4.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1123 1 78 ILE H 1 78 ILE HG12 4.750 . 4.750 3.309 1.928 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1124 1 78 ILE H 1 78 ILE HG13 4.750 . 4.750 3.392 2.163 4.753 0.003 26 0 "[ . 1 . 2 . 3 . 4]" 1
1125 1 78 ILE H 1 78 ILE MG 4.660 . 4.660 2.776 2.062 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1126 1 78 ILE H 1 79 VAL H 4.620 . 4.620 4.365 2.159 4.686 0.066 38 0 "[ . 1 . 2 . 3 . 4]" 1
1127 1 78 ILE HA 1 79 VAL H 3.200 . 3.200 2.326 2.082 3.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1128 1 78 ILE MD 1 79 VAL H 5.320 . 5.320 4.389 3.263 5.328 0.008 9 0 "[ . 1 . 2 . 3 . 4]" 1
1129 1 78 ILE MG 1 79 VAL H 4.760 . 4.760 3.634 2.611 4.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1130 1 79 VAL H 1 79 VAL HB 4.060 . 4.060 3.432 2.448 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1131 1 79 VAL H 1 79 VAL QG 4.150 . 4.150 2.252 1.799 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1132 1 79 VAL QG 1 80 THR H 5.500 . 5.500 3.125 2.172 3.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1133 1 79 VAL QG 1 80 THR HA 5.500 . 5.500 3.865 3.229 4.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1134 1 80 THR HB 1 81 ASP H 4.650 . 4.650 3.438 1.907 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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