NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
552033 |
2ly9   |
18714 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ly9
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 839
_Distance_constraint_stats_list.Viol_count 242
_Distance_constraint_stats_list.Viol_total 365.439
_Distance_constraint_stats_list.Viol_max 0.314
_Distance_constraint_stats_list.Viol_rms 0.0116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0755
_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 4 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.323 0.129 11 0 "[ . 1 . 2]"
1 10 ARG 0.323 0.129 11 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.058 0.058 9 0 "[ . 1 . 2]"
1 13 LYS 1.610 0.314 17 0 "[ . 1 . 2]"
1 14 THR 0.298 0.140 17 0 "[ . 1 . 2]"
1 15 LYS 0.031 0.019 3 0 "[ . 1 . 2]"
1 16 GLU 0.110 0.110 8 0 "[ . 1 . 2]"
1 17 GLN 0.359 0.102 16 0 "[ . 1 . 2]"
1 18 LEU 1.649 0.160 15 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.402 0.147 5 0 "[ . 1 . 2]"
1 21 LEU 0.989 0.142 11 0 "[ . 1 . 2]"
1 22 LYS 0.162 0.160 15 0 "[ . 1 . 2]"
1 23 VAL 0.232 0.088 12 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 TYR 3.684 0.239 8 0 "[ . 1 . 2]"
1 26 LEU 0.621 0.088 12 0 "[ . 1 . 2]"
1 27 LYS 0.184 0.063 4 0 "[ . 1 . 2]"
1 28 ASN 0.359 0.145 14 0 "[ . 1 . 2]"
1 29 GLN 3.860 0.239 8 0 "[ . 1 . 2]"
1 30 PHE 1.938 0.236 4 0 "[ . 1 . 2]"
1 31 PRO 0.598 0.145 14 0 "[ . 1 . 2]"
1 32 HIS 0.273 0.113 9 0 "[ . 1 . 2]"
1 33 ASP 0.019 0.019 2 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.504 0.216 12 0 "[ . 1 . 2]"
1 36 ILE 0.240 0.068 17 0 "[ . 1 . 2]"
1 37 ILE 0.592 0.208 12 0 "[ . 1 . 2]"
1 38 ARG 0.109 0.098 9 0 "[ . 1 . 2]"
1 39 LEU 0.929 0.216 12 0 "[ . 1 . 2]"
1 40 MET 1.409 0.176 7 0 "[ . 1 . 2]"
1 41 LYS 0.629 0.208 12 0 "[ . 1 . 2]"
1 42 ILE 0.020 0.020 3 0 "[ . 1 . 2]"
1 43 THR 0.359 0.102 16 0 "[ . 1 . 2]"
1 44 GLY 0.020 0.020 3 0 "[ . 1 . 2]"
1 45 LEU 0.229 0.121 13 0 "[ . 1 . 2]"
1 46 THR 1.321 0.176 7 0 "[ . 1 . 2]"
1 47 LYS 0.443 0.083 13 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.330 0.121 13 0 "[ . 1 . 2]"
1 50 ILE 0.363 0.087 12 0 "[ . 1 . 2]"
1 51 LYS 0.068 0.068 17 0 "[ . 1 . 2]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 TRP 0.615 0.070 6 0 "[ . 1 . 2]"
1 54 PHE 0.097 0.097 20 0 "[ . 1 . 2]"
1 55 SER 0.035 0.035 19 0 "[ . 1 . 2]"
1 56 ASP 0.070 0.070 6 0 "[ . 1 . 2]"
1 57 THR 0.535 0.147 9 0 "[ . 1 . 2]"
1 58 ARG 2.363 0.233 19 0 "[ . 1 . 2]"
1 59 TYR 0.920 0.141 2 0 "[ . 1 . 2]"
1 60 ASN 1.169 0.147 9 0 "[ . 1 . 2]"
1 61 GLN 0.062 0.039 1 0 "[ . 1 . 2]"
1 62 ARG 0.768 0.219 11 0 "[ . 1 . 2]"
1 63 ASN 0.713 0.199 1 0 "[ . 1 . 2]"
1 64 SER 0.334 0.199 1 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 PRO HA 1 5 ASP H 3.860 . 3.860 2.539 2.177 3.307 . 0 0 "[ . 1 . 2]" 1
2 1 7 PHE HA 1 7 PHE QD 4.360 . 4.360 2.816 2.326 3.788 . 0 0 "[ . 1 . 2]" 1
3 1 9 ILE H 1 9 ILE HB 3.600 . 3.600 2.558 2.382 2.668 . 0 0 "[ . 1 . 2]" 1
4 1 9 ILE H 1 9 ILE MD 4.440 . 4.440 2.569 1.684 3.713 . 0 0 "[ . 1 . 2]" 1
5 1 9 ILE H 1 9 ILE QG 4.000 . 4.000 2.864 1.979 3.476 . 0 0 "[ . 1 . 2]" 1
6 1 9 ILE H 1 10 ARG H 4.410 . 4.410 4.247 3.897 4.539 0.129 11 0 "[ . 1 . 2]" 1
7 1 9 ILE HA 1 10 ARG H 3.540 . 3.540 2.219 2.117 2.345 . 0 0 "[ . 1 . 2]" 1
8 1 9 ILE MG 1 10 ARG H 4.740 . 4.740 3.315 2.450 3.766 . 0 0 "[ . 1 . 2]" 1
9 1 10 ARG H 1 10 ARG HB2 4.180 . 4.180 3.039 2.526 3.987 . 0 0 "[ . 1 . 2]" 1
10 1 10 ARG H 1 10 ARG QB 3.660 . 3.660 2.761 2.261 3.384 . 0 0 "[ . 1 . 2]" 1
11 1 10 ARG H 1 10 ARG HB3 4.180 . 4.180 3.435 2.453 4.098 . 0 0 "[ . 1 . 2]" 1
12 1 10 ARG H 1 10 ARG QG 4.400 . 4.400 3.309 1.974 4.355 . 0 0 "[ . 1 . 2]" 1
13 1 10 ARG H 1 11 ALA H 4.210 . 4.210 2.593 1.976 4.033 . 0 0 "[ . 1 . 2]" 1
14 1 10 ARG HA 1 10 ARG QD 4.900 . 4.900 3.802 2.120 4.634 . 0 0 "[ . 1 . 2]" 1
15 1 11 ALA H 1 11 ALA MB 3.610 . 3.610 2.507 2.237 2.974 . 0 0 "[ . 1 . 2]" 1
16 1 11 ALA HA 1 12 LYS H 3.620 . 3.620 2.576 2.157 3.601 . 0 0 "[ . 1 . 2]" 1
17 1 11 ALA MB 1 12 LYS H 4.320 . 4.320 3.202 1.919 3.746 . 0 0 "[ . 1 . 2]" 1
18 1 12 LYS H 1 12 LYS HB2 4.190 . 4.190 2.712 2.398 3.505 . 0 0 "[ . 1 . 2]" 1
19 1 12 LYS H 1 12 LYS QB 3.580 . 3.580 2.454 2.212 2.907 . 0 0 "[ . 1 . 2]" 1
20 1 12 LYS H 1 12 LYS HB3 4.190 . 4.190 3.080 2.515 3.750 . 0 0 "[ . 1 . 2]" 1
21 1 12 LYS H 1 12 LYS QG 4.620 . 4.620 3.508 2.071 4.276 . 0 0 "[ . 1 . 2]" 1
22 1 12 LYS HA 1 13 LYS H 3.500 . 3.500 2.512 2.128 3.558 0.058 9 0 "[ . 1 . 2]" 1
23 1 12 LYS QB 1 13 LYS H 4.650 . 4.650 3.354 2.093 4.066 . 0 0 "[ . 1 . 2]" 1
24 1 13 LYS H 1 13 LYS HB2 4.350 . 4.350 2.733 2.351 3.744 . 0 0 "[ . 1 . 2]" 1
25 1 13 LYS H 1 13 LYS HB3 4.350 . 4.350 3.686 2.559 4.152 . 0 0 "[ . 1 . 2]" 1
26 1 13 LYS H 1 13 LYS HG2 4.280 . 4.280 3.571 2.553 4.473 0.193 10 0 "[ . 1 . 2]" 1
27 1 13 LYS H 1 13 LYS QG 3.590 . 3.590 2.695 1.913 3.904 0.314 17 0 "[ . 1 . 2]" 1
28 1 13 LYS H 1 13 LYS HG3 4.280 . 4.280 3.016 1.935 4.464 0.184 13 0 "[ . 1 . 2]" 1
29 1 13 LYS H 1 14 THR H 5.100 . 5.100 4.346 3.651 4.691 . 0 0 "[ . 1 . 2]" 1
30 1 13 LYS HA 1 13 LYS HD2 5.450 . 5.450 4.327 2.643 4.822 . 0 0 "[ . 1 . 2]" 1
31 1 13 LYS HA 1 13 LYS QD 4.760 . 4.760 3.658 2.010 4.264 . 0 0 "[ . 1 . 2]" 1
32 1 13 LYS HA 1 13 LYS HD3 5.450 . 5.450 4.055 2.028 4.895 . 0 0 "[ . 1 . 2]" 1
33 1 13 LYS HA 1 13 LYS HG2 4.480 . 4.480 2.883 2.542 3.660 . 0 0 "[ . 1 . 2]" 1
34 1 13 LYS HA 1 13 LYS QG 3.880 . 3.880 2.582 2.313 3.079 . 0 0 "[ . 1 . 2]" 1
35 1 13 LYS HA 1 13 LYS HG3 4.480 . 4.480 3.160 2.368 3.853 . 0 0 "[ . 1 . 2]" 1
36 1 13 LYS HA 1 14 THR H 3.380 . 3.380 2.268 2.129 2.745 . 0 0 "[ . 1 . 2]" 1
37 1 13 LYS QB 1 13 LYS QD 2.600 . 2.600 2.301 2.168 2.612 0.012 1 0 "[ . 1 . 2]" 1
38 1 13 LYS QB 1 14 THR H 3.810 . 3.810 3.314 2.050 3.950 0.140 17 0 "[ . 1 . 2]" 1
39 1 13 LYS QB 1 18 LEU MD1 4.800 . 4.800 3.024 1.934 4.235 . 0 0 "[ . 1 . 2]" 1
40 1 13 LYS QB 1 45 LEU MD2 5.870 . 5.870 3.735 2.822 5.615 . 0 0 "[ . 1 . 2]" 1
41 1 13 LYS HB2 1 14 THR H 4.550 . 4.550 4.232 3.141 4.551 0.001 13 0 "[ . 1 . 2]" 1
42 1 13 LYS HB2 1 18 LEU MD1 5.740 . 5.740 3.398 1.962 5.811 0.071 17 0 "[ . 1 . 2]" 1
43 1 13 LYS HB3 1 14 THR H 4.550 . 4.550 3.482 2.078 4.345 . 0 0 "[ . 1 . 2]" 1
44 1 13 LYS HB3 1 18 LEU MD1 5.740 . 5.740 3.706 2.509 5.011 . 0 0 "[ . 1 . 2]" 1
45 1 13 LYS QD 1 18 LEU MD1 5.420 . 5.420 4.241 2.721 5.528 0.108 15 0 "[ . 1 . 2]" 1
46 1 13 LYS QD 1 21 LEU MD1 4.470 . 4.470 2.928 2.365 4.174 . 0 0 "[ . 1 . 2]" 1
47 1 13 LYS QD 1 45 LEU MD1 4.720 . 4.720 2.605 1.937 3.821 . 0 0 "[ . 1 . 2]" 1
48 1 13 LYS QD 1 45 LEU MD2 5.190 . 5.190 3.369 2.378 4.235 . 0 0 "[ . 1 . 2]" 1
49 1 13 LYS QD 1 53 TRP HD1 5.630 . 5.630 2.870 1.931 4.950 . 0 0 "[ . 1 . 2]" 1
50 1 13 LYS HD2 1 21 LEU MD1 5.100 . 5.100 3.612 2.458 4.881 . 0 0 "[ . 1 . 2]" 1
51 1 13 LYS HD2 1 45 LEU MD1 5.610 . 5.610 3.507 2.042 4.649 . 0 0 "[ . 1 . 2]" 1
52 1 13 LYS HD2 1 45 LEU MD2 5.900 . 5.900 4.287 2.528 5.590 . 0 0 "[ . 1 . 2]" 1
53 1 13 LYS HD3 1 21 LEU MD1 5.100 . 5.100 3.378 2.394 5.025 . 0 0 "[ . 1 . 2]" 1
54 1 13 LYS HD3 1 45 LEU MD1 5.610 . 5.610 2.842 1.952 4.444 . 0 0 "[ . 1 . 2]" 1
55 1 13 LYS HD3 1 45 LEU MD2 5.900 . 5.900 3.617 2.504 4.765 . 0 0 "[ . 1 . 2]" 1
56 1 13 LYS QE 1 21 LEU MD1 4.510 . 4.510 3.412 2.257 4.376 . 0 0 "[ . 1 . 2]" 1
57 1 13 LYS QE 1 45 LEU MD1 4.440 . 4.440 2.941 1.945 4.530 0.090 14 0 "[ . 1 . 2]" 1
58 1 13 LYS QE 1 45 LEU MD2 4.810 . 4.810 3.572 2.186 4.653 . 0 0 "[ . 1 . 2]" 1
59 1 13 LYS QE 1 53 TRP HD1 3.700 . 3.700 2.870 1.781 3.624 . 0 0 "[ . 1 . 2]" 1
60 1 13 LYS HE2 1 21 LEU MD1 5.160 . 5.160 4.013 2.629 4.921 . 0 0 "[ . 1 . 2]" 1
61 1 13 LYS HE3 1 21 LEU MD1 5.160 . 5.160 3.815 2.308 5.222 0.062 18 0 "[ . 1 . 2]" 1
62 1 13 LYS QG 1 21 LEU MD1 5.120 . 5.120 3.820 2.021 5.092 . 0 0 "[ . 1 . 2]" 1
63 1 14 THR H 1 14 THR MG 3.580 . 3.580 2.151 1.973 2.408 . 0 0 "[ . 1 . 2]" 1
64 1 14 THR H 1 17 GLN HB2 4.040 . 4.040 2.824 2.374 3.233 . 0 0 "[ . 1 . 2]" 1
65 1 14 THR H 1 17 GLN HB3 4.680 . 4.680 4.187 3.758 4.660 . 0 0 "[ . 1 . 2]" 1
66 1 14 THR H 1 18 LEU H 5.080 . 5.080 4.442 3.916 4.967 . 0 0 "[ . 1 . 2]" 1
67 1 14 THR HA 1 14 THR MG 3.630 . 3.630 2.514 2.421 2.593 . 0 0 "[ . 1 . 2]" 1
68 1 14 THR HA 1 15 LYS H 3.610 . 3.610 2.459 2.284 2.720 . 0 0 "[ . 1 . 2]" 1
69 1 14 THR HA 1 16 GLU H 5.180 . 5.180 4.427 4.111 5.290 0.110 8 0 "[ . 1 . 2]" 1
70 1 14 THR HA 1 17 GLN H 5.580 . 5.580 4.838 4.625 5.186 . 0 0 "[ . 1 . 2]" 1
71 1 14 THR HB 1 15 LYS H 3.800 . 3.800 2.461 1.996 2.867 . 0 0 "[ . 1 . 2]" 1
72 1 14 THR HB 1 16 GLU H 4.190 . 4.190 3.113 2.701 4.127 . 0 0 "[ . 1 . 2]" 1
73 1 14 THR HB 1 17 GLN H 5.040 . 5.040 3.995 3.742 4.535 . 0 0 "[ . 1 . 2]" 1
74 1 14 THR MG 1 15 LYS H 4.570 . 4.570 3.872 3.659 4.118 . 0 0 "[ . 1 . 2]" 1
75 1 14 THR MG 1 17 GLN H 5.520 . 5.520 4.297 3.961 4.844 . 0 0 "[ . 1 . 2]" 1
76 1 15 LYS H 1 15 LYS HB2 4.110 . 4.110 2.566 2.321 3.632 . 0 0 "[ . 1 . 2]" 1
77 1 15 LYS H 1 15 LYS QB 3.510 . 3.510 2.386 2.184 2.639 . 0 0 "[ . 1 . 2]" 1
78 1 15 LYS H 1 15 LYS HB3 4.110 . 4.110 3.136 2.394 3.638 . 0 0 "[ . 1 . 2]" 1
79 1 15 LYS HA 1 15 LYS QD 4.900 . 4.900 3.421 2.084 4.612 . 0 0 "[ . 1 . 2]" 1
80 1 15 LYS HA 1 18 LEU H 4.380 . 4.380 3.634 3.232 4.342 . 0 0 "[ . 1 . 2]" 1
81 1 15 LYS HA 1 18 LEU HB2 4.700 . 4.700 3.176 2.338 4.193 . 0 0 "[ . 1 . 2]" 1
82 1 15 LYS HA 1 18 LEU QB 3.910 . 3.910 2.641 2.100 3.558 . 0 0 "[ . 1 . 2]" 1
83 1 15 LYS HA 1 18 LEU HB3 4.700 . 4.700 3.145 2.189 4.719 0.019 3 0 "[ . 1 . 2]" 1
84 1 15 LYS HA 1 18 LEU MD1 4.210 . 4.210 3.264 1.888 4.222 0.012 7 0 "[ . 1 . 2]" 1
85 1 15 LYS QB 1 16 GLU H 3.710 . 3.710 2.789 2.246 3.662 . 0 0 "[ . 1 . 2]" 1
86 1 15 LYS HB2 1 16 GLU H 4.350 . 4.350 3.372 2.589 4.046 . 0 0 "[ . 1 . 2]" 1
87 1 15 LYS HB3 1 16 GLU H 4.350 . 4.350 3.406 2.267 4.205 . 0 0 "[ . 1 . 2]" 1
88 1 15 LYS QG 1 16 GLU H 5.290 . 5.290 3.979 2.575 4.818 . 0 0 "[ . 1 . 2]" 1
89 1 16 GLU H 1 16 GLU QB 3.430 . 3.430 2.491 2.188 2.704 . 0 0 "[ . 1 . 2]" 1
90 1 16 GLU H 1 16 GLU HG2 4.760 . 4.760 3.144 2.115 4.373 . 0 0 "[ . 1 . 2]" 1
91 1 16 GLU H 1 16 GLU QG 3.970 . 3.970 2.497 1.911 3.960 . 0 0 "[ . 1 . 2]" 1
92 1 16 GLU H 1 16 GLU HG3 4.760 . 4.760 3.109 1.924 4.526 . 0 0 "[ . 1 . 2]" 1
93 1 16 GLU H 1 17 GLN H 3.650 . 3.650 2.674 2.467 2.791 . 0 0 "[ . 1 . 2]" 1
94 1 16 GLU H 1 18 LEU H 5.500 . 5.500 4.161 3.884 4.545 . 0 0 "[ . 1 . 2]" 1
95 1 16 GLU H 1 19 ALA MB 5.820 . 5.820 4.692 4.358 4.944 . 0 0 "[ . 1 . 2]" 1
96 1 16 GLU HA 1 16 GLU QG 3.750 . 3.750 2.776 2.347 3.534 . 0 0 "[ . 1 . 2]" 1
97 1 16 GLU HA 1 19 ALA H 4.980 . 4.980 3.723 3.269 4.359 . 0 0 "[ . 1 . 2]" 1
98 1 16 GLU HA 1 19 ALA MB 3.870 . 3.870 2.854 2.238 3.670 . 0 0 "[ . 1 . 2]" 1
99 1 16 GLU QB 1 17 GLN H 3.860 . 3.860 2.601 2.235 3.661 . 0 0 "[ . 1 . 2]" 1
100 1 16 GLU HB2 1 17 GLN H 4.550 . 4.550 2.743 2.261 4.091 . 0 0 "[ . 1 . 2]" 1
101 1 16 GLU HB3 1 17 GLN H 4.550 . 4.550 3.616 2.428 4.284 . 0 0 "[ . 1 . 2]" 1
102 1 17 GLN H 1 17 GLN HB2 3.620 . 3.620 2.492 2.392 2.559 . 0 0 "[ . 1 . 2]" 1
103 1 17 GLN H 1 17 GLN HB3 4.120 . 4.120 3.611 3.563 3.648 . 0 0 "[ . 1 . 2]" 1
104 1 17 GLN H 1 17 GLN HG2 4.170 . 4.170 3.501 3.373 3.651 . 0 0 "[ . 1 . 2]" 1
105 1 17 GLN H 1 17 GLN HG3 3.690 . 3.690 2.265 2.120 2.406 . 0 0 "[ . 1 . 2]" 1
106 1 17 GLN H 1 18 LEU H 3.480 . 3.480 2.666 2.564 2.861 . 0 0 "[ . 1 . 2]" 1
107 1 17 GLN H 1 18 LEU QB 5.020 . 5.020 4.345 4.147 4.677 . 0 0 "[ . 1 . 2]" 1
108 1 17 GLN H 1 19 ALA H 4.470 . 4.470 4.090 3.800 4.283 . 0 0 "[ . 1 . 2]" 1
109 1 17 GLN H 1 43 THR MG 6.050 . 6.050 4.762 4.393 5.189 . 0 0 "[ . 1 . 2]" 1
110 1 17 GLN HA 1 17 GLN HG2 4.200 . 4.200 2.623 2.544 2.686 . 0 0 "[ . 1 . 2]" 1
111 1 17 GLN HA 1 17 GLN HG3 4.430 . 4.430 3.072 2.859 3.205 . 0 0 "[ . 1 . 2]" 1
112 1 17 GLN HA 1 20 GLU H 5.020 . 5.020 3.840 3.553 4.306 . 0 0 "[ . 1 . 2]" 1
113 1 17 GLN HA 1 20 GLU QB 4.840 . 4.840 3.452 2.987 4.158 . 0 0 "[ . 1 . 2]" 1
114 1 17 GLN HA 1 43 THR HA 5.190 . 5.190 3.045 2.502 3.500 . 0 0 "[ . 1 . 2]" 1
115 1 17 GLN HA 1 43 THR MG 4.150 . 4.150 2.259 1.887 2.742 . 0 0 "[ . 1 . 2]" 1
116 1 17 GLN HB2 1 18 LEU H 3.760 . 3.760 2.487 2.356 2.667 . 0 0 "[ . 1 . 2]" 1
117 1 17 GLN HB2 1 45 LEU MD1 5.620 . 5.620 3.279 2.704 3.676 . 0 0 "[ . 1 . 2]" 1
118 1 17 GLN HB3 1 18 LEU H 3.830 . 3.830 3.528 3.266 3.714 . 0 0 "[ . 1 . 2]" 1
119 1 17 GLN HE21 1 43 THR HA 5.210 . 5.210 4.045 3.482 4.636 . 0 0 "[ . 1 . 2]" 1
120 1 17 GLN HE21 1 43 THR HB 4.260 . 4.260 3.601 2.319 4.333 0.073 16 0 "[ . 1 . 2]" 1
121 1 17 GLN HE21 1 43 THR MG 5.230 . 5.230 4.947 3.991 5.312 0.082 5 0 "[ . 1 . 2]" 1
122 1 17 GLN HE21 1 45 LEU MD1 5.600 . 5.600 4.366 2.692 5.113 . 0 0 "[ . 1 . 2]" 1
123 1 17 GLN HE21 1 45 LEU MD2 4.440 . 4.440 3.558 2.247 4.304 . 0 0 "[ . 1 . 2]" 1
124 1 17 GLN HE21 1 45 LEU HG 4.430 . 4.430 3.323 2.165 4.421 . 0 0 "[ . 1 . 2]" 1
125 1 17 GLN HE22 1 17 GLN HG2 4.150 . 4.150 3.534 3.500 3.793 . 0 0 "[ . 1 . 2]" 1
126 1 17 GLN HE22 1 43 THR HB 5.020 . 5.020 4.691 3.819 5.122 0.102 16 0 "[ . 1 . 2]" 1
127 1 17 GLN HE22 1 45 LEU MD2 4.030 . 4.030 2.788 2.369 3.552 . 0 0 "[ . 1 . 2]" 1
128 1 17 GLN HE22 1 45 LEU HG 4.570 . 4.570 3.475 2.870 4.447 . 0 0 "[ . 1 . 2]" 1
129 1 17 GLN HG2 1 43 THR HA 4.930 . 4.930 2.680 2.200 3.301 . 0 0 "[ . 1 . 2]" 1
130 1 17 GLN HG2 1 43 THR HB 4.330 . 4.330 2.360 1.887 3.140 . 0 0 "[ . 1 . 2]" 1
131 1 17 GLN HG2 1 43 THR MG 4.410 . 4.410 3.520 3.042 4.281 . 0 0 "[ . 1 . 2]" 1
132 1 17 GLN HG3 1 43 THR HB 5.130 . 5.130 3.935 3.528 4.538 . 0 0 "[ . 1 . 2]" 1
133 1 18 LEU H 1 18 LEU HB2 3.770 . 3.770 2.268 2.111 2.621 . 0 0 "[ . 1 . 2]" 1
134 1 18 LEU H 1 18 LEU QB 3.110 . 3.110 2.190 2.057 2.564 . 0 0 "[ . 1 . 2]" 1
135 1 18 LEU H 1 18 LEU HB3 3.770 . 3.770 2.954 2.533 3.630 . 0 0 "[ . 1 . 2]" 1
136 1 18 LEU H 1 18 LEU MD1 4.480 . 4.480 4.001 3.523 4.186 . 0 0 "[ . 1 . 2]" 1
137 1 18 LEU H 1 18 LEU MD2 5.450 . 5.450 4.124 3.126 4.399 . 0 0 "[ . 1 . 2]" 1
138 1 18 LEU H 1 18 LEU HG 4.330 . 4.330 3.801 2.191 4.421 0.091 11 0 "[ . 1 . 2]" 1
139 1 18 LEU H 1 19 ALA H 3.270 . 3.270 2.702 2.563 2.913 . 0 0 "[ . 1 . 2]" 1
140 1 18 LEU HA 1 18 LEU MD1 4.590 . 4.590 3.841 3.685 3.960 . 0 0 "[ . 1 . 2]" 1
141 1 18 LEU HA 1 18 LEU MD2 3.500 . 3.500 2.729 2.043 3.286 . 0 0 "[ . 1 . 2]" 1
142 1 18 LEU HA 1 18 LEU HG 4.420 . 4.420 2.671 2.481 3.240 . 0 0 "[ . 1 . 2]" 1
143 1 18 LEU HA 1 21 LEU H 4.180 . 4.180 3.617 3.401 3.853 . 0 0 "[ . 1 . 2]" 1
144 1 18 LEU HA 1 21 LEU HB2 4.270 . 4.270 2.802 2.314 3.006 . 0 0 "[ . 1 . 2]" 1
145 1 18 LEU HA 1 21 LEU HB3 5.160 . 5.160 4.331 3.868 4.607 . 0 0 "[ . 1 . 2]" 1
146 1 18 LEU HA 1 21 LEU MD1 4.040 . 4.040 2.331 2.093 2.967 . 0 0 "[ . 1 . 2]" 1
147 1 18 LEU HA 1 21 LEU HG 5.040 . 5.040 3.269 2.609 3.915 . 0 0 "[ . 1 . 2]" 1
148 1 18 LEU HA 1 22 LYS H 4.810 . 4.810 4.327 4.021 4.544 . 0 0 "[ . 1 . 2]" 1
149 1 18 LEU QB 1 19 ALA H 3.640 . 3.640 2.699 2.490 2.830 . 0 0 "[ . 1 . 2]" 1
150 1 18 LEU MD1 1 21 LEU MD1 5.360 . 5.360 4.648 4.010 5.376 0.016 13 0 "[ . 1 . 2]" 1
151 1 18 LEU MD1 1 53 TRP HD1 5.500 . 5.500 4.414 3.330 5.558 0.058 13 0 "[ . 1 . 2]" 1
152 1 18 LEU MD1 1 53 TRP HE1 4.870 . 4.870 3.147 2.100 4.391 . 0 0 "[ . 1 . 2]" 1
153 1 18 LEU MD1 1 53 TRP HZ2 5.350 . 5.350 4.480 3.712 5.398 0.048 13 0 "[ . 1 . 2]" 1
154 1 18 LEU MD2 1 21 LEU H 5.580 . 5.580 4.877 4.552 5.435 . 0 0 "[ . 1 . 2]" 1
155 1 18 LEU MD2 1 21 LEU MD1 4.030 . 4.030 3.647 1.993 4.172 0.142 11 0 "[ . 1 . 2]" 1
156 1 18 LEU MD2 1 22 LYS QE 4.800 . 4.800 3.126 1.764 4.960 0.160 15 0 "[ . 1 . 2]" 1
157 1 18 LEU MD2 1 53 TRP HD1 4.980 . 4.980 4.141 2.491 4.996 0.016 18 0 "[ . 1 . 2]" 1
158 1 18 LEU MD2 1 53 TRP HE1 4.170 . 4.170 2.300 1.608 2.897 . 0 0 "[ . 1 . 2]" 1
159 1 18 LEU MD2 1 53 TRP HZ2 3.990 . 3.990 2.489 1.900 3.887 . 0 0 "[ . 1 . 2]" 1
160 1 18 LEU MD2 1 57 THR MG 5.410 . 5.410 4.834 3.769 5.535 0.125 3 0 "[ . 1 . 2]" 1
161 1 18 LEU HG 1 53 TRP HD1 6.050 . 6.050 4.159 3.239 5.679 . 0 0 "[ . 1 . 2]" 1
162 1 19 ALA H 1 19 ALA MB 2.980 . 2.980 2.247 2.214 2.279 . 0 0 "[ . 1 . 2]" 1
163 1 19 ALA H 1 20 GLU H 3.520 . 3.520 2.787 2.656 2.932 . 0 0 "[ . 1 . 2]" 1
164 1 19 ALA HA 1 22 LYS QB 4.200 . 4.200 2.666 2.180 2.998 . 0 0 "[ . 1 . 2]" 1
165 1 19 ALA HA 1 22 LYS QD 5.910 . 5.910 3.523 2.003 5.592 . 0 0 "[ . 1 . 2]" 1
166 1 19 ALA HA 1 22 LYS HG3 5.410 . 5.410 3.495 2.605 4.154 . 0 0 "[ . 1 . 2]" 1
167 1 19 ALA MB 1 20 GLU H 3.500 . 3.500 2.521 2.362 2.765 . 0 0 "[ . 1 . 2]" 1
168 1 19 ALA MB 1 20 GLU HG2 5.210 . 5.210 3.362 2.853 3.713 . 0 0 "[ . 1 . 2]" 1
169 1 19 ALA MB 1 20 GLU HG3 5.940 . 5.940 4.904 4.425 5.231 . 0 0 "[ . 1 . 2]" 1
170 1 19 ALA MB 1 23 VAL MG2 4.500 . 4.500 3.648 3.237 3.966 . 0 0 "[ . 1 . 2]" 1
171 1 20 GLU H 1 20 GLU QB 3.250 . 3.250 2.492 2.334 2.641 . 0 0 "[ . 1 . 2]" 1
172 1 20 GLU H 1 20 GLU HG2 3.670 . 3.670 2.277 2.051 2.652 . 0 0 "[ . 1 . 2]" 1
173 1 20 GLU H 1 20 GLU HG3 4.280 . 4.280 3.709 3.587 3.878 . 0 0 "[ . 1 . 2]" 1
174 1 20 GLU H 1 21 LEU H 3.380 . 3.380 2.660 2.573 2.751 . 0 0 "[ . 1 . 2]" 1
175 1 20 GLU H 1 21 LEU HG 5.510 . 5.510 4.326 4.046 4.651 . 0 0 "[ . 1 . 2]" 1
176 1 20 GLU H 1 43 THR MG 5.900 . 5.900 3.840 3.556 4.314 . 0 0 "[ . 1 . 2]" 1
177 1 20 GLU HA 1 23 VAL H 4.290 . 4.290 3.535 3.178 3.906 . 0 0 "[ . 1 . 2]" 1
178 1 20 GLU HA 1 23 VAL HB 4.120 . 4.120 3.016 2.667 3.520 . 0 0 "[ . 1 . 2]" 1
179 1 20 GLU HA 1 23 VAL MG1 5.670 . 5.670 4.305 3.978 4.859 . 0 0 "[ . 1 . 2]" 1
180 1 20 GLU HA 1 23 VAL MG2 4.080 . 4.080 2.962 2.394 3.951 . 0 0 "[ . 1 . 2]" 1
181 1 20 GLU QB 1 21 LEU H 3.620 . 3.620 2.644 2.531 2.805 . 0 0 "[ . 1 . 2]" 1
182 1 20 GLU QB 1 21 LEU MD2 5.150 . 5.150 3.573 3.249 3.949 . 0 0 "[ . 1 . 2]" 1
183 1 20 GLU QB 1 39 LEU MD2 4.610 . 4.610 2.691 2.144 3.017 . 0 0 "[ . 1 . 2]" 1
184 1 20 GLU QB 1 42 ILE MG 5.130 . 5.130 3.174 2.542 3.797 . 0 0 "[ . 1 . 2]" 1
185 1 20 GLU QB 1 43 THR MG 3.960 . 3.960 2.147 1.824 2.845 . 0 0 "[ . 1 . 2]" 1
186 1 20 GLU HG2 1 39 LEU MD2 5.420 . 5.420 5.260 4.609 5.567 0.147 5 0 "[ . 1 . 2]" 1
187 1 20 GLU HG2 1 42 ILE MG 4.990 . 4.990 3.547 3.235 3.992 . 0 0 "[ . 1 . 2]" 1
188 1 20 GLU HG2 1 43 THR MG 5.370 . 5.370 3.417 3.001 4.400 . 0 0 "[ . 1 . 2]" 1
189 1 20 GLU HG3 1 39 LEU MD2 4.770 . 4.770 4.530 3.857 4.793 0.023 5 0 "[ . 1 . 2]" 1
190 1 20 GLU HG3 1 42 ILE QG 5.870 . 5.870 4.644 4.026 5.426 . 0 0 "[ . 1 . 2]" 1
191 1 20 GLU HG3 1 42 ILE MG 4.420 . 4.420 2.181 1.782 2.541 . 0 0 "[ . 1 . 2]" 1
192 1 20 GLU HG3 1 43 THR MG 4.740 . 4.740 2.893 2.410 3.949 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU H 1 21 LEU HB2 3.430 . 3.430 2.520 2.431 2.611 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU H 1 21 LEU HB3 4.080 . 4.080 3.606 3.580 3.628 . 0 0 "[ . 1 . 2]" 1
195 1 21 LEU H 1 21 LEU MD1 4.270 . 4.270 3.665 3.556 3.753 . 0 0 "[ . 1 . 2]" 1
196 1 21 LEU H 1 21 LEU MD2 4.750 . 4.750 3.244 2.992 3.480 . 0 0 "[ . 1 . 2]" 1
197 1 21 LEU H 1 21 LEU HG 3.320 . 3.320 2.273 2.118 2.479 . 0 0 "[ . 1 . 2]" 1
198 1 21 LEU H 1 22 LYS H 3.420 . 3.420 2.653 2.548 2.763 . 0 0 "[ . 1 . 2]" 1
199 1 21 LEU H 1 39 LEU MD2 5.920 . 5.920 4.150 3.703 4.603 . 0 0 "[ . 1 . 2]" 1
200 1 21 LEU HA 1 21 LEU MD2 3.550 . 3.550 2.113 2.047 2.175 . 0 0 "[ . 1 . 2]" 1
201 1 21 LEU HA 1 21 LEU HG 4.510 . 4.510 3.204 3.048 3.351 . 0 0 "[ . 1 . 2]" 1
202 1 21 LEU HA 1 24 SER H 4.520 . 4.520 3.574 3.323 3.886 . 0 0 "[ . 1 . 2]" 1
203 1 21 LEU HA 1 24 SER HB2 4.930 . 4.930 3.640 3.283 4.055 . 0 0 "[ . 1 . 2]" 1
204 1 21 LEU HA 1 24 SER HB3 4.880 . 4.880 2.810 2.443 3.328 . 0 0 "[ . 1 . 2]" 1
205 1 21 LEU HA 1 39 LEU HB3 6.050 . 6.050 4.636 4.058 5.125 . 0 0 "[ . 1 . 2]" 1
206 1 21 LEU HA 1 39 LEU MD1 5.080 . 5.080 2.991 2.429 3.415 . 0 0 "[ . 1 . 2]" 1
207 1 21 LEU HB2 1 22 LYS H 3.760 . 3.760 2.725 2.629 2.810 . 0 0 "[ . 1 . 2]" 1
208 1 21 LEU HB3 1 22 LYS H 4.290 . 4.290 3.773 3.611 3.898 . 0 0 "[ . 1 . 2]" 1
209 1 21 LEU HB3 1 53 TRP HH2 4.820 . 4.820 4.031 3.509 4.539 . 0 0 "[ . 1 . 2]" 1
210 1 21 LEU HB3 1 53 TRP HZ2 4.710 . 4.710 4.470 3.996 4.765 0.055 2 0 "[ . 1 . 2]" 1
211 1 21 LEU HB3 1 53 TRP HZ3 4.690 . 4.690 3.353 2.996 3.717 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU MD1 1 43 THR MG 4.880 . 4.880 3.389 2.567 3.964 . 0 0 "[ . 1 . 2]" 1
213 1 21 LEU MD1 1 45 LEU MD1 4.040 . 4.040 2.075 1.801 2.631 . 0 0 "[ . 1 . 2]" 1
214 1 21 LEU MD1 1 50 ILE QG 4.480 . 4.480 2.988 2.543 3.527 . 0 0 "[ . 1 . 2]" 1
215 1 21 LEU MD1 1 53 TRP HD1 4.710 . 4.710 3.404 3.113 3.925 . 0 0 "[ . 1 . 2]" 1
216 1 21 LEU MD1 1 53 TRP HE1 5.520 . 5.520 3.708 3.280 4.280 . 0 0 "[ . 1 . 2]" 1
217 1 21 LEU MD2 1 24 SER H 5.610 . 5.610 5.095 4.785 5.362 . 0 0 "[ . 1 . 2]" 1
218 1 21 LEU MD2 1 24 SER HB2 5.580 . 5.580 4.483 4.018 4.841 . 0 0 "[ . 1 . 2]" 1
219 1 21 LEU MD2 1 39 LEU HB2 5.390 . 5.390 3.672 3.293 3.998 . 0 0 "[ . 1 . 2]" 1
220 1 21 LEU MD2 1 39 LEU HB3 5.360 . 5.360 2.603 2.117 2.938 . 0 0 "[ . 1 . 2]" 1
221 1 21 LEU MD2 1 39 LEU MD1 3.870 . 3.870 2.188 1.794 2.513 . 0 0 "[ . 1 . 2]" 1
222 1 21 LEU MD2 1 43 THR HB 6.050 . 6.050 4.337 3.923 4.844 . 0 0 "[ . 1 . 2]" 1
223 1 21 LEU MD2 1 43 THR MG 4.330 . 4.330 2.506 2.038 3.076 . 0 0 "[ . 1 . 2]" 1
224 1 21 LEU MD2 1 50 ILE HA 4.720 . 4.720 3.205 2.698 3.670 . 0 0 "[ . 1 . 2]" 1
225 1 21 LEU MD2 1 50 ILE QG 5.530 . 5.530 2.205 1.960 2.696 . 0 0 "[ . 1 . 2]" 1
226 1 21 LEU MD2 1 50 ILE MG 3.780 . 3.780 1.934 1.720 2.245 . 0 0 "[ . 1 . 2]" 1
227 1 21 LEU MD2 1 53 TRP HE3 4.280 . 4.280 4.077 3.302 4.334 0.054 4 0 "[ . 1 . 2]" 1
228 1 21 LEU MD2 1 54 PHE QD 5.390 . 5.390 4.286 3.505 5.332 . 0 0 "[ . 1 . 2]" 1
229 1 21 LEU MD2 1 54 PHE QE 4.880 . 4.880 2.938 1.972 4.298 . 0 0 "[ . 1 . 2]" 1
230 1 21 LEU HG 1 22 LYS H 4.900 . 4.900 4.376 4.219 4.585 . 0 0 "[ . 1 . 2]" 1
231 1 22 LYS H 1 22 LYS QB 3.140 . 3.140 2.359 2.130 2.493 . 0 0 "[ . 1 . 2]" 1
232 1 22 LYS H 1 22 LYS HG2 4.700 . 4.700 3.564 2.653 4.132 . 0 0 "[ . 1 . 2]" 1
233 1 22 LYS H 1 22 LYS HG3 4.690 . 4.690 3.041 2.313 4.529 . 0 0 "[ . 1 . 2]" 1
234 1 22 LYS H 1 23 VAL H 3.580 . 3.580 2.736 2.659 2.826 . 0 0 "[ . 1 . 2]" 1
235 1 22 LYS H 1 24 SER H 4.770 . 4.770 4.157 3.880 4.444 . 0 0 "[ . 1 . 2]" 1
236 1 22 LYS HA 1 25 TYR H 4.070 . 4.070 3.285 3.001 3.608 . 0 0 "[ . 1 . 2]" 1
237 1 22 LYS HA 1 25 TYR HB2 4.860 . 4.860 3.162 2.942 3.805 . 0 0 "[ . 1 . 2]" 1
238 1 22 LYS HA 1 25 TYR HB3 4.380 . 4.380 2.496 2.123 2.857 . 0 0 "[ . 1 . 2]" 1
239 1 22 LYS HA 1 53 TRP HH2 3.390 . 3.390 2.068 1.659 2.310 . 0 0 "[ . 1 . 2]" 1
240 1 22 LYS HA 1 53 TRP HZ2 4.350 . 4.350 3.885 3.459 4.244 . 0 0 "[ . 1 . 2]" 1
241 1 22 LYS QB 1 23 VAL H 3.620 . 3.620 2.615 2.346 2.823 . 0 0 "[ . 1 . 2]" 1
242 1 22 LYS QB 1 23 VAL HA 4.240 . 4.240 3.989 3.827 4.145 . 0 0 "[ . 1 . 2]" 1
243 1 22 LYS QB 1 23 VAL MG2 4.650 . 4.650 3.284 2.822 3.520 . 0 0 "[ . 1 . 2]" 1
244 1 22 LYS QB 1 53 TRP HH2 4.930 . 4.930 3.789 3.364 4.140 . 0 0 "[ . 1 . 2]" 1
245 1 22 LYS QB 1 53 TRP HZ2 4.950 . 4.950 4.288 3.611 4.727 . 0 0 "[ . 1 . 2]" 1
246 1 22 LYS QD 1 53 TRP HH2 6.050 . 6.050 3.922 1.776 5.055 . 0 0 "[ . 1 . 2]" 1
247 1 22 LYS QE 1 53 TRP HZ2 5.300 . 5.300 3.366 2.188 5.264 . 0 0 "[ . 1 . 2]" 1
248 1 22 LYS HG2 1 53 TRP HH2 4.500 . 4.500 2.570 2.131 3.086 . 0 0 "[ . 1 . 2]" 1
249 1 22 LYS HG2 1 53 TRP HZ2 3.960 . 3.960 2.577 1.927 3.203 . 0 0 "[ . 1 . 2]" 1
250 1 22 LYS HG3 1 53 TRP HH2 5.560 . 5.560 3.507 2.662 4.709 . 0 0 "[ . 1 . 2]" 1
251 1 22 LYS HG3 1 53 TRP HZ2 4.440 . 4.440 2.975 2.312 4.443 0.003 2 0 "[ . 1 . 2]" 1
252 1 22 LYS HG3 1 57 THR MG 6.050 . 6.050 5.083 4.331 5.995 . 0 0 "[ . 1 . 2]" 1
253 1 23 VAL H 1 23 VAL HB 3.270 . 3.270 2.564 2.497 2.634 . 0 0 "[ . 1 . 2]" 1
254 1 23 VAL H 1 23 VAL MG1 4.290 . 4.290 3.829 3.808 3.857 . 0 0 "[ . 1 . 2]" 1
255 1 23 VAL H 1 23 VAL MG2 3.370 . 3.370 2.101 2.009 2.208 . 0 0 "[ . 1 . 2]" 1
256 1 23 VAL H 1 24 SER H 3.390 . 3.390 2.752 2.641 2.820 . 0 0 "[ . 1 . 2]" 1
257 1 23 VAL H 1 24 SER HB2 6.040 . 6.040 5.215 5.118 5.344 . 0 0 "[ . 1 . 2]" 1
258 1 23 VAL H 1 25 TYR H 4.910 . 4.910 4.087 3.897 4.285 . 0 0 "[ . 1 . 2]" 1
259 1 23 VAL HA 1 23 VAL MG2 3.470 . 3.470 2.427 2.384 2.461 . 0 0 "[ . 1 . 2]" 1
260 1 23 VAL HA 1 26 LEU H 4.360 . 4.360 3.638 3.293 4.043 . 0 0 "[ . 1 . 2]" 1
261 1 23 VAL HA 1 26 LEU HB2 4.990 . 4.990 3.089 2.652 3.466 . 0 0 "[ . 1 . 2]" 1
262 1 23 VAL HA 1 26 LEU HB3 4.990 . 4.990 4.641 4.182 5.078 0.088 12 0 "[ . 1 . 2]" 1
263 1 23 VAL HA 1 26 LEU MD1 4.160 . 4.160 2.520 2.001 3.273 . 0 0 "[ . 1 . 2]" 1
264 1 23 VAL HB 1 24 SER H 3.740 . 3.740 2.667 2.553 2.884 . 0 0 "[ . 1 . 2]" 1
265 1 23 VAL MG1 1 24 SER H 4.320 . 4.320 3.478 3.308 3.740 . 0 0 "[ . 1 . 2]" 1
266 1 23 VAL MG1 1 24 SER HA 5.310 . 5.310 3.648 3.488 3.963 . 0 0 "[ . 1 . 2]" 1
267 1 23 VAL MG1 1 24 SER HB2 6.050 . 6.050 4.534 4.263 4.966 . 0 0 "[ . 1 . 2]" 1
268 1 23 VAL MG1 1 27 LYS H 5.590 . 5.590 4.696 4.190 5.381 . 0 0 "[ . 1 . 2]" 1
269 1 23 VAL MG1 1 27 LYS QE 4.760 . 4.760 3.006 1.703 4.782 0.022 10 0 "[ . 1 . 2]" 1
270 1 23 VAL MG2 1 24 SER H 4.380 . 4.380 3.898 3.805 3.984 . 0 0 "[ . 1 . 2]" 1
271 1 24 SER H 1 24 SER HB2 3.530 . 3.530 2.600 2.524 2.661 . 0 0 "[ . 1 . 2]" 1
272 1 24 SER H 1 24 SER HB3 3.530 . 3.530 2.558 2.513 2.623 . 0 0 "[ . 1 . 2]" 1
273 1 24 SER H 1 25 TYR H 3.710 . 3.710 2.661 2.539 2.749 . 0 0 "[ . 1 . 2]" 1
274 1 24 SER H 1 25 TYR HB3 5.160 . 5.160 4.882 4.695 5.130 . 0 0 "[ . 1 . 2]" 1
275 1 24 SER H 1 26 LEU H 5.170 . 5.170 4.248 4.076 4.569 . 0 0 "[ . 1 . 2]" 1
276 1 24 SER H 1 39 LEU MD2 4.950 . 4.950 3.954 3.364 4.786 . 0 0 "[ . 1 . 2]" 1
277 1 24 SER HA 1 27 LYS H 4.280 . 4.280 3.650 3.279 3.959 . 0 0 "[ . 1 . 2]" 1
278 1 24 SER HA 1 27 LYS QB 4.930 . 4.930 3.219 2.364 4.488 . 0 0 "[ . 1 . 2]" 1
279 1 24 SER HA 1 27 LYS QD 5.240 . 5.240 2.905 1.759 4.189 . 0 0 "[ . 1 . 2]" 1
280 1 24 SER HA 1 39 LEU MD1 5.370 . 5.370 4.536 4.179 5.023 . 0 0 "[ . 1 . 2]" 1
281 1 24 SER HB2 1 25 TYR H 5.240 . 5.240 4.006 3.843 4.140 . 0 0 "[ . 1 . 2]" 1
282 1 24 SER HB2 1 39 LEU MD1 4.770 . 4.770 2.658 2.018 3.423 . 0 0 "[ . 1 . 2]" 1
283 1 24 SER HB2 1 39 LEU MD2 3.660 . 3.660 2.369 1.981 3.012 . 0 0 "[ . 1 . 2]" 1
284 1 24 SER HB2 1 54 PHE HZ 6.050 . 6.050 3.650 3.263 4.398 . 0 0 "[ . 1 . 2]" 1
285 1 24 SER HB3 1 25 TYR H 3.700 . 3.700 2.783 2.496 3.003 . 0 0 "[ . 1 . 2]" 1
286 1 24 SER HB3 1 39 LEU MD1 5.030 . 5.030 2.829 2.529 3.291 . 0 0 "[ . 1 . 2]" 1
287 1 24 SER HB3 1 39 LEU MD2 4.620 . 4.620 3.389 2.649 4.058 . 0 0 "[ . 1 . 2]" 1
288 1 24 SER HB3 1 54 PHE HZ 4.430 . 4.430 2.274 1.711 2.814 . 0 0 "[ . 1 . 2]" 1
289 1 25 TYR H 1 25 TYR HB2 3.920 . 3.920 2.559 2.392 2.771 . 0 0 "[ . 1 . 2]" 1
290 1 25 TYR H 1 25 TYR HB3 3.690 . 3.690 2.526 2.392 2.645 . 0 0 "[ . 1 . 2]" 1
291 1 25 TYR H 1 25 TYR QD 4.460 . 4.460 4.255 4.218 4.283 . 0 0 "[ . 1 . 2]" 1
292 1 25 TYR H 1 26 LEU H 3.810 . 3.810 2.657 2.493 2.781 . 0 0 "[ . 1 . 2]" 1
293 1 25 TYR H 1 27 LYS H 5.430 . 5.430 4.172 3.962 4.473 . 0 0 "[ . 1 . 2]" 1
294 1 25 TYR H 1 53 TRP HH2 5.140 . 5.140 4.447 4.040 4.787 . 0 0 "[ . 1 . 2]" 1
295 1 25 TYR H 1 53 TRP HZ3 4.750 . 4.750 3.955 3.604 4.336 . 0 0 "[ . 1 . 2]" 1
296 1 25 TYR H 1 54 PHE QE 5.850 . 5.850 3.056 2.661 3.676 . 0 0 "[ . 1 . 2]" 1
297 1 25 TYR HA 1 25 TYR QD 3.740 . 3.740 2.788 2.655 2.929 . 0 0 "[ . 1 . 2]" 1
298 1 25 TYR HA 1 28 ASN H 4.140 . 4.140 3.435 3.104 3.665 . 0 0 "[ . 1 . 2]" 1
299 1 25 TYR HA 1 29 GLN HA 4.630 . 4.630 2.777 2.482 3.146 . 0 0 "[ . 1 . 2]" 1
300 1 25 TYR HA 1 54 PHE QD 5.730 . 5.730 3.432 2.955 4.216 . 0 0 "[ . 1 . 2]" 1
301 1 25 TYR HA 1 54 PHE QE 3.950 . 3.950 2.316 1.815 3.349 . 0 0 "[ . 1 . 2]" 1
302 1 25 TYR HB2 1 26 LEU H 4.760 . 4.760 3.958 3.877 4.078 . 0 0 "[ . 1 . 2]" 1
303 1 25 TYR HB2 1 53 TRP HH2 3.920 . 3.920 3.039 2.593 3.722 . 0 0 "[ . 1 . 2]" 1
304 1 25 TYR HB2 1 53 TRP HZ3 3.920 . 3.920 1.985 1.711 2.334 . 0 0 "[ . 1 . 2]" 1
305 1 25 TYR HB2 1 54 PHE QE 4.690 . 4.690 2.465 2.022 3.191 . 0 0 "[ . 1 . 2]" 1
306 1 25 TYR HB3 1 26 LEU H 3.890 . 3.890 2.728 2.579 2.870 . 0 0 "[ . 1 . 2]" 1
307 1 25 TYR HB3 1 53 TRP HH2 5.160 . 5.160 3.172 2.871 3.509 . 0 0 "[ . 1 . 2]" 1
308 1 25 TYR HB3 1 53 TRP HZ3 4.190 . 4.190 3.388 2.758 3.782 . 0 0 "[ . 1 . 2]" 1
309 1 25 TYR QD 1 26 LEU H 3.910 . 3.910 3.766 3.410 3.965 0.055 1 0 "[ . 1 . 2]" 1
310 1 25 TYR QD 1 26 LEU HA 4.090 . 4.090 3.739 3.336 4.119 0.029 7 0 "[ . 1 . 2]" 1
311 1 25 TYR QD 1 26 LEU MD2 3.850 . 3.850 2.856 2.343 3.236 . 0 0 "[ . 1 . 2]" 1
312 1 25 TYR QD 1 26 LEU HG 4.400 . 4.400 3.711 3.177 4.255 . 0 0 "[ . 1 . 2]" 1
313 1 25 TYR QD 1 29 GLN HA 4.160 . 4.160 2.574 2.200 3.078 . 0 0 "[ . 1 . 2]" 1
314 1 25 TYR QD 1 29 GLN QG 4.080 . 4.080 3.449 2.723 4.319 0.239 8 0 "[ . 1 . 2]" 1
315 1 25 TYR QD 1 53 TRP HZ3 3.820 . 3.820 3.140 2.716 3.650 . 0 0 "[ . 1 . 2]" 1
316 1 25 TYR QD 1 54 PHE HA 4.650 . 4.650 3.447 2.873 4.106 . 0 0 "[ . 1 . 2]" 1
317 1 25 TYR QD 1 54 PHE QD 3.540 . 3.540 1.814 1.604 2.292 . 0 0 "[ . 1 . 2]" 1
318 1 25 TYR QD 1 54 PHE QE 3.640 . 3.640 3.024 2.148 3.737 0.097 20 0 "[ . 1 . 2]" 1
319 1 25 TYR QD 1 57 THR MG 4.050 . 4.050 3.256 2.940 3.832 . 0 0 "[ . 1 . 2]" 1
320 1 25 TYR QE 1 26 LEU MD2 4.800 . 4.800 3.994 3.252 4.482 . 0 0 "[ . 1 . 2]" 1
321 1 25 TYR QE 1 29 GLN HA 5.590 . 5.590 3.425 3.032 4.496 . 0 0 "[ . 1 . 2]" 1
322 1 25 TYR QE 1 29 GLN HB2 4.170 . 4.170 3.874 2.366 4.360 0.190 15 0 "[ . 1 . 2]" 1
323 1 25 TYR QE 1 29 GLN QB 3.480 . 3.480 2.595 2.350 2.766 . 0 0 "[ . 1 . 2]" 1
324 1 25 TYR QE 1 29 GLN HB3 4.170 . 4.170 2.943 2.542 4.222 0.052 9 0 "[ . 1 . 2]" 1
325 1 25 TYR QE 1 29 GLN QG 3.860 . 3.860 3.051 2.397 4.095 0.235 8 0 "[ . 1 . 2]" 1
326 1 25 TYR QE 1 54 PHE QD 4.260 . 4.260 3.574 3.085 4.252 . 0 0 "[ . 1 . 2]" 1
327 1 25 TYR QE 1 57 THR HB 4.170 . 4.170 3.586 2.667 4.094 . 0 0 "[ . 1 . 2]" 1
328 1 25 TYR QE 1 57 THR MG 3.510 . 3.510 3.033 2.837 3.479 . 0 0 "[ . 1 . 2]" 1
329 1 25 TYR QE 1 58 ARG H 4.170 . 4.170 3.776 3.361 4.047 . 0 0 "[ . 1 . 2]" 1
330 1 25 TYR QE 1 58 ARG HA 4.160 . 4.160 3.539 2.927 4.393 0.233 19 0 "[ . 1 . 2]" 1
331 1 25 TYR QE 1 58 ARG QD 5.350 . 5.350 3.882 2.682 5.220 . 0 0 "[ . 1 . 2]" 1
332 1 25 TYR QE 1 58 ARG QG 3.410 . 3.410 2.649 1.762 3.572 0.162 9 0 "[ . 1 . 2]" 1
333 1 26 LEU H 1 26 LEU HB2 4.100 . 4.100 2.491 2.389 2.596 . 0 0 "[ . 1 . 2]" 1
334 1 26 LEU H 1 26 LEU QB 3.510 . 3.510 2.449 2.356 2.543 . 0 0 "[ . 1 . 2]" 1
335 1 26 LEU H 1 26 LEU HB3 4.100 . 4.100 3.616 3.596 3.642 . 0 0 "[ . 1 . 2]" 1
336 1 26 LEU H 1 26 LEU MD1 4.410 . 4.410 3.666 3.558 3.792 . 0 0 "[ . 1 . 2]" 1
337 1 26 LEU H 1 26 LEU MD2 4.820 . 4.820 3.364 3.153 3.533 . 0 0 "[ . 1 . 2]" 1
338 1 26 LEU H 1 26 LEU HG 3.120 . 3.120 2.346 2.222 2.546 . 0 0 "[ . 1 . 2]" 1
339 1 26 LEU H 1 27 LYS H 3.420 . 3.420 2.683 2.559 2.877 . 0 0 "[ . 1 . 2]" 1
340 1 26 LEU HA 1 26 LEU MD2 3.420 . 3.420 2.080 2.006 2.143 . 0 0 "[ . 1 . 2]" 1
341 1 26 LEU QB 1 28 ASN H 5.870 . 5.870 4.930 4.619 5.247 . 0 0 "[ . 1 . 2]" 1
342 1 26 LEU HB2 1 27 LYS H 3.910 . 3.910 2.860 2.541 3.194 . 0 0 "[ . 1 . 2]" 1
343 1 26 LEU HB3 1 27 LYS H 3.910 . 3.910 3.818 3.559 3.973 0.063 4 0 "[ . 1 . 2]" 1
344 1 26 LEU MD1 1 27 LYS H 6.050 . 6.050 4.772 4.502 5.087 . 0 0 "[ . 1 . 2]" 1
345 1 27 LYS H 1 27 LYS QB 3.140 . 3.140 2.455 2.253 2.717 . 0 0 "[ . 1 . 2]" 1
346 1 27 LYS H 1 27 LYS HG2 5.030 . 5.030 3.584 2.127 4.492 . 0 0 "[ . 1 . 2]" 1
347 1 27 LYS H 1 27 LYS QG 4.350 . 4.350 2.710 2.083 4.015 . 0 0 "[ . 1 . 2]" 1
348 1 27 LYS H 1 27 LYS HG3 5.030 . 5.030 2.987 2.150 4.522 . 0 0 "[ . 1 . 2]" 1
349 1 27 LYS H 1 28 ASN H 3.160 . 3.160 2.544 2.345 2.814 . 0 0 "[ . 1 . 2]" 1
350 1 27 LYS HA 1 27 LYS QD 4.800 . 4.800 3.917 2.590 4.584 . 0 0 "[ . 1 . 2]" 1
351 1 27 LYS HA 1 27 LYS HG2 4.490 . 4.490 3.117 2.483 3.843 . 0 0 "[ . 1 . 2]" 1
352 1 27 LYS HA 1 27 LYS QG 3.930 . 3.930 2.634 2.372 3.403 . 0 0 "[ . 1 . 2]" 1
353 1 27 LYS HA 1 27 LYS HG3 4.490 . 4.490 3.038 2.471 3.797 . 0 0 "[ . 1 . 2]" 1
354 1 27 LYS QB 1 27 LYS QD 3.340 . 3.340 2.296 2.163 2.457 . 0 0 "[ . 1 . 2]" 1
355 1 27 LYS QB 1 28 ASN H 4.100 . 4.100 2.600 2.098 3.563 . 0 0 "[ . 1 . 2]" 1
356 1 27 LYS HB2 1 27 LYS QD 3.910 . 3.910 2.497 2.286 3.122 . 0 0 "[ . 1 . 2]" 1
357 1 27 LYS HB2 1 28 ASN H 4.770 . 4.770 2.763 2.123 3.953 . 0 0 "[ . 1 . 2]" 1
358 1 27 LYS HB3 1 27 LYS QD 3.910 . 3.910 2.844 2.402 3.383 . 0 0 "[ . 1 . 2]" 1
359 1 27 LYS HB3 1 28 ASN H 4.770 . 4.770 3.510 2.497 4.140 . 0 0 "[ . 1 . 2]" 1
360 1 27 LYS QG 1 28 ASN H 5.870 . 5.870 3.845 2.142 4.559 . 0 0 "[ . 1 . 2]" 1
361 1 28 ASN H 1 28 ASN HB2 4.290 . 4.290 3.653 2.632 4.115 . 0 0 "[ . 1 . 2]" 1
362 1 28 ASN H 1 28 ASN HB3 4.290 . 4.290 3.369 2.941 3.782 . 0 0 "[ . 1 . 2]" 1
363 1 28 ASN H 1 29 GLN H 4.630 . 4.630 4.070 3.598 4.358 . 0 0 "[ . 1 . 2]" 1
364 1 28 ASN HA 1 29 GLN H 3.060 . 3.060 2.200 2.164 2.272 . 0 0 "[ . 1 . 2]" 1
365 1 28 ASN HA 1 30 PHE H 4.510 . 4.510 3.744 3.263 4.191 . 0 0 "[ . 1 . 2]" 1
366 1 28 ASN QB 1 31 PRO HA 5.870 . 5.870 3.561 2.487 4.649 . 0 0 "[ . 1 . 2]" 1
367 1 28 ASN QD 1 31 PRO HA 4.390 . 4.390 2.648 1.902 3.902 . 0 0 "[ . 1 . 2]" 1
368 1 28 ASN QD 1 32 HIS H 5.180 . 5.180 4.036 2.887 5.293 0.113 9 0 "[ . 1 . 2]" 1
369 1 28 ASN HD21 1 31 PRO HA 4.990 . 4.990 3.092 2.071 5.051 0.061 1 0 "[ . 1 . 2]" 1
370 1 28 ASN HD22 1 31 PRO HA 4.990 . 4.990 3.219 1.961 5.135 0.145 14 0 "[ . 1 . 2]" 1
371 1 29 GLN H 1 29 GLN QB 3.870 . 3.870 2.487 2.233 2.860 . 0 0 "[ . 1 . 2]" 1
372 1 29 GLN H 1 29 GLN HG2 4.810 . 4.810 3.663 1.991 4.465 . 0 0 "[ . 1 . 2]" 1
373 1 29 GLN H 1 29 GLN QG 4.200 . 4.200 2.837 1.931 4.024 . 0 0 "[ . 1 . 2]" 1
374 1 29 GLN H 1 29 GLN HG3 4.810 . 4.810 3.065 2.054 4.574 . 0 0 "[ . 1 . 2]" 1
375 1 29 GLN H 1 30 PHE H 3.450 . 3.450 2.534 2.424 2.644 . 0 0 "[ . 1 . 2]" 1
376 1 29 GLN H 1 30 PHE QD 4.150 . 4.150 3.986 3.517 4.386 0.236 4 0 "[ . 1 . 2]" 1
377 1 29 GLN HA 1 31 PRO HD3 5.690 . 5.690 3.972 3.372 4.307 . 0 0 "[ . 1 . 2]" 1
378 1 29 GLN HA 1 54 PHE QD 4.550 . 4.550 3.145 2.480 4.015 . 0 0 "[ . 1 . 2]" 1
379 1 29 GLN HA 1 54 PHE QE 4.740 . 4.740 3.796 2.769 4.685 . 0 0 "[ . 1 . 2]" 1
380 1 29 GLN QB 1 30 PHE H 4.540 . 4.540 3.020 2.728 3.855 . 0 0 "[ . 1 . 2]" 1
381 1 29 GLN QB 1 30 PHE QD 3.990 . 3.990 2.914 2.327 4.060 0.070 8 0 "[ . 1 . 2]" 1
382 1 29 GLN QB 1 30 PHE QE 4.980 . 4.980 3.189 2.944 4.200 . 0 0 "[ . 1 . 2]" 1
383 1 29 GLN HB2 1 30 PHE H 5.190 . 5.190 3.349 2.790 4.199 . 0 0 "[ . 1 . 2]" 1
384 1 29 GLN HB3 1 30 PHE H 5.190 . 5.190 3.853 2.823 4.540 . 0 0 "[ . 1 . 2]" 1
385 1 29 GLN QG 1 30 PHE QD 4.550 . 4.550 4.268 2.330 4.698 0.148 15 0 "[ . 1 . 2]" 1
386 1 29 GLN QG 1 30 PHE QE 5.630 . 5.630 4.318 2.972 5.104 . 0 0 "[ . 1 . 2]" 1
387 1 30 PHE H 1 30 PHE QD 3.740 . 3.740 2.874 2.550 3.214 . 0 0 "[ . 1 . 2]" 1
388 1 30 PHE H 1 31 PRO HD2 4.990 . 4.990 4.610 4.086 5.036 0.046 1 0 "[ . 1 . 2]" 1
389 1 30 PHE H 1 31 PRO HD3 3.860 . 3.860 3.628 3.133 3.954 0.094 15 0 "[ . 1 . 2]" 1
390 1 30 PHE HA 1 31 PRO HD2 3.820 . 3.820 2.424 2.124 2.974 . 0 0 "[ . 1 . 2]" 1
391 1 30 PHE HA 1 31 PRO HD3 4.160 . 4.160 2.595 2.080 3.015 . 0 0 "[ . 1 . 2]" 1
392 1 30 PHE QD 1 31 PRO HD2 6.030 . 6.030 4.793 4.429 5.610 . 0 0 "[ . 1 . 2]" 1
393 1 30 PHE HZ 1 58 ARG QD 4.320 . 4.320 3.536 2.469 4.397 0.077 17 0 "[ . 1 . 2]" 1
394 1 31 PRO HA 1 32 HIS H 3.080 . 3.080 2.335 2.161 2.710 . 0 0 "[ . 1 . 2]" 1
395 1 31 PRO HA 1 32 HIS QB 5.880 . 5.880 4.547 4.112 4.809 . 0 0 "[ . 1 . 2]" 1
396 1 31 PRO HA 1 35 GLU QG 5.870 . 5.870 4.251 3.258 5.565 . 0 0 "[ . 1 . 2]" 1
397 1 31 PRO QB 1 35 GLU QB 5.230 . 5.230 2.657 2.016 3.480 . 0 0 "[ . 1 . 2]" 1
398 1 31 PRO QB 1 35 GLU QG 4.500 . 4.500 2.659 1.832 3.602 . 0 0 "[ . 1 . 2]" 1
399 1 31 PRO HB2 1 32 HIS H 4.550 . 4.550 3.034 2.099 3.840 . 0 0 "[ . 1 . 2]" 1
400 1 31 PRO HB3 1 32 HIS H 4.550 . 4.550 3.617 2.804 4.056 . 0 0 "[ . 1 . 2]" 1
401 1 31 PRO HD2 1 54 PHE QE 5.260 . 5.260 4.276 2.900 5.237 . 0 0 "[ . 1 . 2]" 1
402 1 31 PRO HD3 1 54 PHE QD 5.060 . 5.060 3.476 2.703 4.513 . 0 0 "[ . 1 . 2]" 1
403 1 31 PRO HD3 1 54 PHE QE 5.030 . 5.030 3.639 3.058 4.384 . 0 0 "[ . 1 . 2]" 1
404 1 31 PRO QG 1 36 ILE MD 3.510 . 3.510 2.747 2.109 3.550 0.040 18 0 "[ . 1 . 2]" 1
405 1 32 HIS H 1 32 HIS QB 3.330 . 3.330 2.455 2.275 2.608 . 0 0 "[ . 1 . 2]" 1
406 1 32 HIS H 1 35 GLU H 4.760 . 4.760 4.269 3.906 4.604 . 0 0 "[ . 1 . 2]" 1
407 1 32 HIS H 1 35 GLU HB2 5.050 . 5.050 3.808 3.153 4.536 . 0 0 "[ . 1 . 2]" 1
408 1 32 HIS H 1 35 GLU QB 4.120 . 4.120 3.050 2.617 3.781 . 0 0 "[ . 1 . 2]" 1
409 1 32 HIS H 1 35 GLU HB3 5.050 . 5.050 3.280 2.674 4.454 . 0 0 "[ . 1 . 2]" 1
410 1 32 HIS HA 1 32 HIS HD2 4.190 . 4.190 3.586 2.804 4.275 0.085 9 0 "[ . 1 . 2]" 1
411 1 32 HIS QB 1 33 ASP H 5.190 . 5.190 2.557 1.748 3.499 . 0 0 "[ . 1 . 2]" 1
412 1 32 HIS QB 1 34 SER H 4.770 . 4.770 3.104 2.585 3.705 . 0 0 "[ . 1 . 2]" 1
413 1 32 HIS QB 1 34 SER QB 5.870 . 5.870 3.759 3.052 4.803 . 0 0 "[ . 1 . 2]" 1
414 1 32 HIS QB 1 35 GLU H 4.320 . 4.320 3.122 2.338 4.350 0.030 7 0 "[ . 1 . 2]" 1
415 1 33 ASP HA 1 35 GLU H 5.130 . 5.130 4.476 4.086 4.833 . 0 0 "[ . 1 . 2]" 1
416 1 33 ASP HA 1 36 ILE H 4.310 . 4.310 3.478 3.086 3.798 . 0 0 "[ . 1 . 2]" 1
417 1 33 ASP HA 1 36 ILE HB 3.930 . 3.930 2.782 2.183 3.494 . 0 0 "[ . 1 . 2]" 1
418 1 33 ASP HA 1 36 ILE MD 4.330 . 4.330 2.343 1.909 4.099 . 0 0 "[ . 1 . 2]" 1
419 1 33 ASP HA 1 36 ILE HG12 4.950 . 4.950 4.435 2.583 4.933 . 0 0 "[ . 1 . 2]" 1
420 1 33 ASP HA 1 36 ILE HG13 4.950 . 4.950 3.205 2.711 3.530 . 0 0 "[ . 1 . 2]" 1
421 1 33 ASP HA 1 36 ILE MG 5.130 . 5.130 4.054 3.527 4.670 . 0 0 "[ . 1 . 2]" 1
422 1 33 ASP QB 1 34 SER H 4.280 . 4.280 2.842 2.277 3.614 . 0 0 "[ . 1 . 2]" 1
423 1 33 ASP QB 1 34 SER HA 5.370 . 5.370 4.202 3.721 4.598 . 0 0 "[ . 1 . 2]" 1
424 1 33 ASP QB 1 34 SER QB 5.870 . 5.870 4.523 3.843 5.274 . 0 0 "[ . 1 . 2]" 1
425 1 33 ASP QB 1 35 GLU H 5.570 . 5.570 4.942 4.552 5.313 . 0 0 "[ . 1 . 2]" 1
426 1 33 ASP QB 1 37 ILE MD 4.810 . 4.810 3.870 2.822 4.829 0.019 2 0 "[ . 1 . 2]" 1
427 1 34 SER H 1 35 GLU H 4.630 . 4.630 2.753 2.548 2.880 . 0 0 "[ . 1 . 2]" 1
428 1 34 SER HA 1 37 ILE H 4.430 . 4.430 3.446 3.156 3.700 . 0 0 "[ . 1 . 2]" 1
429 1 34 SER HA 1 37 ILE HB 4.390 . 4.390 2.928 2.521 3.431 . 0 0 "[ . 1 . 2]" 1
430 1 34 SER QB 1 35 GLU H 4.470 . 4.470 2.821 2.449 3.396 . 0 0 "[ . 1 . 2]" 1
431 1 35 GLU H 1 35 GLU HB2 3.590 . 3.590 2.551 2.414 2.677 . 0 0 "[ . 1 . 2]" 1
432 1 35 GLU H 1 35 GLU HB3 3.590 . 3.590 2.575 2.328 3.634 0.044 12 0 "[ . 1 . 2]" 1
433 1 35 GLU H 1 36 ILE H 3.250 . 3.250 2.674 2.593 2.767 . 0 0 "[ . 1 . 2]" 1
434 1 35 GLU H 1 37 ILE H 4.920 . 4.920 4.193 4.029 4.358 . 0 0 "[ . 1 . 2]" 1
435 1 35 GLU HA 1 38 ARG H 4.240 . 4.240 3.572 3.141 3.833 . 0 0 "[ . 1 . 2]" 1
436 1 35 GLU HA 1 38 ARG HB2 5.000 . 5.000 3.513 2.922 4.003 . 0 0 "[ . 1 . 2]" 1
437 1 35 GLU HA 1 38 ARG HB3 5.000 . 5.000 2.880 2.428 3.359 . 0 0 "[ . 1 . 2]" 1
438 1 35 GLU HA 1 39 LEU H 5.570 . 5.570 4.412 4.132 4.856 . 0 0 "[ . 1 . 2]" 1
439 1 35 GLU QB 1 36 ILE H 4.050 . 4.050 2.627 2.325 2.921 . 0 0 "[ . 1 . 2]" 1
440 1 35 GLU QG 1 39 LEU MD1 4.240 . 4.240 2.891 2.265 4.456 0.216 12 0 "[ . 1 . 2]" 1
441 1 35 GLU HG2 1 39 LEU MD1 5.120 . 5.120 3.766 2.817 5.333 0.213 12 0 "[ . 1 . 2]" 1
442 1 35 GLU HG3 1 39 LEU MD1 5.120 . 5.120 3.267 2.318 4.776 . 0 0 "[ . 1 . 2]" 1
443 1 36 ILE H 1 36 ILE HB 3.390 . 3.390 2.547 2.339 2.762 . 0 0 "[ . 1 . 2]" 1
444 1 36 ILE H 1 36 ILE MD 4.840 . 4.840 3.535 2.963 3.727 . 0 0 "[ . 1 . 2]" 1
445 1 36 ILE H 1 36 ILE HG12 3.750 . 3.750 3.337 2.050 3.643 . 0 0 "[ . 1 . 2]" 1
446 1 36 ILE H 1 36 ILE QG 3.270 . 3.270 2.101 1.865 2.405 . 0 0 "[ . 1 . 2]" 1
447 1 36 ILE H 1 36 ILE HG13 3.750 . 3.750 2.199 1.875 3.602 . 0 0 "[ . 1 . 2]" 1
448 1 36 ILE H 1 36 ILE MG 4.410 . 4.410 3.809 3.752 3.855 . 0 0 "[ . 1 . 2]" 1
449 1 36 ILE H 1 37 ILE H 3.440 . 3.440 2.689 2.582 2.842 . 0 0 "[ . 1 . 2]" 1
450 1 36 ILE HA 1 36 ILE MD 4.140 . 4.140 3.816 2.216 3.999 . 0 0 "[ . 1 . 2]" 1
451 1 36 ILE HA 1 36 ILE QG 4.000 . 4.000 2.503 2.323 3.100 . 0 0 "[ . 1 . 2]" 1
452 1 36 ILE HA 1 39 LEU H 4.390 . 4.390 3.292 3.086 3.648 . 0 0 "[ . 1 . 2]" 1
453 1 36 ILE HA 1 39 LEU HB2 4.730 . 4.730 2.531 2.184 3.124 . 0 0 "[ . 1 . 2]" 1
454 1 36 ILE HA 1 39 LEU HB3 6.050 . 6.050 4.115 3.814 4.652 . 0 0 "[ . 1 . 2]" 1
455 1 36 ILE HA 1 39 LEU MD1 3.840 . 3.840 2.226 1.794 2.674 . 0 0 "[ . 1 . 2]" 1
456 1 36 ILE HB 1 37 ILE H 3.630 . 3.630 2.748 2.504 2.961 . 0 0 "[ . 1 . 2]" 1
457 1 36 ILE MD 1 36 ILE MG 3.380 . 3.380 2.047 1.995 2.144 . 0 0 "[ . 1 . 2]" 1
458 1 36 ILE MD 1 37 ILE H 5.470 . 5.470 4.706 4.373 4.984 . 0 0 "[ . 1 . 2]" 1
459 1 36 ILE MD 1 47 LYS QD 4.900 . 4.900 3.741 2.430 4.580 . 0 0 "[ . 1 . 2]" 1
460 1 36 ILE MD 1 47 LYS QE 4.920 . 4.920 3.962 2.295 4.904 . 0 0 "[ . 1 . 2]" 1
461 1 36 ILE MD 1 50 ILE HB 4.880 . 4.880 4.063 3.134 4.816 . 0 0 "[ . 1 . 2]" 1
462 1 36 ILE MD 1 50 ILE MG 4.110 . 4.110 3.261 1.824 4.124 0.014 9 0 "[ . 1 . 2]" 1
463 1 36 ILE MD 1 51 LYS H 5.560 . 5.560 4.209 3.255 5.013 . 0 0 "[ . 1 . 2]" 1
464 1 36 ILE MD 1 51 LYS HA 4.830 . 4.830 3.937 3.079 4.898 0.068 17 0 "[ . 1 . 2]" 1
465 1 36 ILE MD 1 51 LYS QD 5.260 . 5.260 2.837 1.787 3.761 . 0 0 "[ . 1 . 2]" 1
466 1 36 ILE MD 1 51 LYS HG2 4.710 . 4.710 2.535 1.675 3.135 . 0 0 "[ . 1 . 2]" 1
467 1 36 ILE MD 1 51 LYS HG3 4.710 . 4.710 3.175 2.271 4.295 . 0 0 "[ . 1 . 2]" 1
468 1 36 ILE MD 1 54 PHE QD 5.400 . 5.400 4.489 3.332 5.269 . 0 0 "[ . 1 . 2]" 1
469 1 36 ILE MG 1 37 ILE H 3.810 . 3.810 3.570 3.366 3.862 0.052 13 0 "[ . 1 . 2]" 1
470 1 36 ILE MG 1 40 MET H 5.140 . 5.140 4.045 3.714 4.281 . 0 0 "[ . 1 . 2]" 1
471 1 36 ILE MG 1 40 MET HG2 5.090 . 5.090 3.624 3.148 4.151 . 0 0 "[ . 1 . 2]" 1
472 1 36 ILE MG 1 40 MET QG 4.250 . 4.250 2.656 2.077 3.016 . 0 0 "[ . 1 . 2]" 1
473 1 36 ILE MG 1 40 MET HG3 5.090 . 5.090 2.735 2.107 3.097 . 0 0 "[ . 1 . 2]" 1
474 1 36 ILE MG 1 47 LYS HA 4.120 . 4.120 2.349 1.967 2.784 . 0 0 "[ . 1 . 2]" 1
475 1 36 ILE MG 1 47 LYS QE 4.590 . 4.590 3.371 2.437 4.620 0.030 16 0 "[ . 1 . 2]" 1
476 1 36 ILE MG 1 47 LYS QG 3.590 . 3.590 2.247 1.725 3.625 0.035 7 0 "[ . 1 . 2]" 1
477 1 36 ILE MG 1 50 ILE MG 3.650 . 3.650 2.095 1.815 2.346 . 0 0 "[ . 1 . 2]" 1
478 1 36 ILE MG 1 51 LYS H 4.950 . 4.950 3.774 3.026 4.162 . 0 0 "[ . 1 . 2]" 1
479 1 36 ILE MG 1 51 LYS QG 5.370 . 5.370 2.952 2.179 3.665 . 0 0 "[ . 1 . 2]" 1
480 1 37 ILE H 1 37 ILE HB 3.200 . 3.200 2.562 2.463 2.690 . 0 0 "[ . 1 . 2]" 1
481 1 37 ILE H 1 37 ILE MD 4.510 . 4.510 3.522 3.108 3.739 . 0 0 "[ . 1 . 2]" 1
482 1 37 ILE H 1 37 ILE HG12 3.850 . 3.850 3.124 2.072 3.665 . 0 0 "[ . 1 . 2]" 1
483 1 37 ILE H 1 37 ILE QG 3.220 . 3.220 2.158 2.034 2.395 . 0 0 "[ . 1 . 2]" 1
484 1 37 ILE H 1 37 ILE HG13 3.850 . 3.850 2.553 2.052 3.719 . 0 0 "[ . 1 . 2]" 1
485 1 37 ILE H 1 37 ILE MG 4.740 . 4.740 3.835 3.807 3.872 . 0 0 "[ . 1 . 2]" 1
486 1 37 ILE H 1 38 ARG H 3.590 . 3.590 2.741 2.650 2.878 . 0 0 "[ . 1 . 2]" 1
487 1 37 ILE HA 1 37 ILE MD 4.490 . 4.490 3.460 2.112 3.920 . 0 0 "[ . 1 . 2]" 1
488 1 37 ILE HA 1 37 ILE HG12 4.320 . 4.320 2.723 2.518 3.228 . 0 0 "[ . 1 . 2]" 1
489 1 37 ILE HA 1 37 ILE QG 3.740 . 3.740 2.586 2.383 3.076 . 0 0 "[ . 1 . 2]" 1
490 1 37 ILE HA 1 37 ILE HG13 4.320 . 4.320 3.230 2.944 3.871 . 0 0 "[ . 1 . 2]" 1
491 1 37 ILE HA 1 40 MET H 4.090 . 4.090 3.364 3.036 3.805 . 0 0 "[ . 1 . 2]" 1
492 1 37 ILE HA 1 40 MET HB2 4.140 . 4.140 2.738 2.230 3.288 . 0 0 "[ . 1 . 2]" 1
493 1 37 ILE HA 1 40 MET ME 4.580 . 4.580 2.611 1.684 3.851 . 0 0 "[ . 1 . 2]" 1
494 1 37 ILE HA 1 40 MET QG 4.420 . 4.420 2.902 2.384 3.674 . 0 0 "[ . 1 . 2]" 1
495 1 37 ILE HB 1 38 ARG H 3.440 . 3.440 2.633 2.403 2.838 . 0 0 "[ . 1 . 2]" 1
496 1 37 ILE MD 1 38 ARG H 5.190 . 5.190 4.700 4.573 4.826 . 0 0 "[ . 1 . 2]" 1
497 1 37 ILE MD 1 40 MET ME 4.800 . 4.800 3.639 1.885 4.878 0.078 12 0 "[ . 1 . 2]" 1
498 1 37 ILE MD 1 47 LYS QE 4.720 . 4.720 3.534 1.905 4.803 0.083 13 0 "[ . 1 . 2]" 1
499 1 37 ILE QG 1 38 ARG H 5.020 . 5.020 4.069 3.868 4.210 . 0 0 "[ . 1 . 2]" 1
500 1 37 ILE QG 1 40 MET ME 4.790 . 4.790 3.237 2.185 3.960 . 0 0 "[ . 1 . 2]" 1
501 1 37 ILE HG12 1 40 MET ME 5.480 . 5.480 3.354 2.213 4.078 . 0 0 "[ . 1 . 2]" 1
502 1 37 ILE HG13 1 40 MET ME 5.480 . 5.480 4.394 3.369 5.365 . 0 0 "[ . 1 . 2]" 1
503 1 37 ILE MG 1 38 ARG H 4.020 . 4.020 3.432 3.150 3.663 . 0 0 "[ . 1 . 2]" 1
504 1 37 ILE MG 1 38 ARG HA 4.730 . 4.730 3.663 3.316 3.906 . 0 0 "[ . 1 . 2]" 1
505 1 37 ILE MG 1 40 MET H 5.670 . 5.670 4.680 4.475 5.062 . 0 0 "[ . 1 . 2]" 1
506 1 37 ILE MG 1 40 MET ME 4.260 . 4.260 3.067 2.257 3.997 . 0 0 "[ . 1 . 2]" 1
507 1 37 ILE MG 1 41 LYS QE 4.050 . 4.050 2.461 1.879 4.258 0.208 12 0 "[ . 1 . 2]" 1
508 1 37 ILE MG 1 41 LYS HG3 4.600 . 4.600 3.324 2.812 3.939 . 0 0 "[ . 1 . 2]" 1
509 1 38 ARG H 1 38 ARG HB2 3.660 . 3.660 2.567 2.365 2.707 . 0 0 "[ . 1 . 2]" 1
510 1 38 ARG H 1 38 ARG HB3 3.660 . 3.660 2.481 2.354 2.658 . 0 0 "[ . 1 . 2]" 1
511 1 38 ARG H 1 38 ARG HG2 5.640 . 5.640 4.507 4.403 4.674 . 0 0 "[ . 1 . 2]" 1
512 1 38 ARG H 1 38 ARG QG 4.790 . 4.790 4.025 3.980 4.102 . 0 0 "[ . 1 . 2]" 1
513 1 38 ARG H 1 38 ARG HG3 5.640 . 5.640 4.534 4.443 4.590 . 0 0 "[ . 1 . 2]" 1
514 1 38 ARG H 1 39 LEU H 3.700 . 3.700 2.801 2.651 2.982 . 0 0 "[ . 1 . 2]" 1
515 1 38 ARG HA 1 38 ARG QG 3.820 . 3.820 2.700 2.454 3.190 . 0 0 "[ . 1 . 2]" 1
516 1 38 ARG HA 1 41 LYS H 4.360 . 4.360 3.645 3.177 4.011 . 0 0 "[ . 1 . 2]" 1
517 1 38 ARG HA 1 41 LYS QB 4.110 . 4.110 3.123 2.576 3.829 . 0 0 "[ . 1 . 2]" 1
518 1 38 ARG HA 1 41 LYS QD 5.400 . 5.400 3.745 2.167 5.411 0.011 11 0 "[ . 1 . 2]" 1
519 1 38 ARG QB 1 38 ARG HE 5.050 . 5.050 3.354 1.851 4.158 . 0 0 "[ . 1 . 2]" 1
520 1 38 ARG QB 1 39 LEU H 3.660 . 3.660 2.501 2.210 2.781 . 0 0 "[ . 1 . 2]" 1
521 1 38 ARG QG 1 39 LEU MD2 4.630 . 4.630 3.621 3.005 4.728 0.098 9 0 "[ . 1 . 2]" 1
522 1 39 LEU H 1 39 LEU HB2 3.470 . 3.470 2.488 2.399 2.608 . 0 0 "[ . 1 . 2]" 1
523 1 39 LEU H 1 39 LEU HB3 4.260 . 4.260 3.614 3.568 3.645 . 0 0 "[ . 1 . 2]" 1
524 1 39 LEU H 1 39 LEU MD1 4.570 . 4.570 3.625 3.379 3.768 . 0 0 "[ . 1 . 2]" 1
525 1 39 LEU H 1 39 LEU MD2 4.410 . 4.410 3.431 3.130 3.619 . 0 0 "[ . 1 . 2]" 1
526 1 39 LEU H 1 39 LEU HG 3.350 . 3.350 2.353 2.116 2.529 . 0 0 "[ . 1 . 2]" 1
527 1 39 LEU H 1 40 MET H 3.650 . 3.650 2.776 2.704 2.886 . 0 0 "[ . 1 . 2]" 1
528 1 39 LEU HA 1 39 LEU MD2 3.520 . 3.520 2.088 2.033 2.187 . 0 0 "[ . 1 . 2]" 1
529 1 39 LEU HA 1 42 ILE H 4.330 . 4.330 3.407 3.113 3.707 . 0 0 "[ . 1 . 2]" 1
530 1 39 LEU HA 1 42 ILE HB 4.750 . 4.750 2.862 2.324 3.581 . 0 0 "[ . 1 . 2]" 1
531 1 39 LEU HA 1 42 ILE HG12 4.760 . 4.760 3.584 3.149 4.058 . 0 0 "[ . 1 . 2]" 1
532 1 39 LEU HA 1 42 ILE QG 3.940 . 3.940 3.311 2.934 3.771 . 0 0 "[ . 1 . 2]" 1
533 1 39 LEU HA 1 42 ILE HG13 4.760 . 4.760 3.908 3.310 4.530 . 0 0 "[ . 1 . 2]" 1
534 1 39 LEU HA 1 43 THR H 4.620 . 4.620 3.688 3.056 4.255 . 0 0 "[ . 1 . 2]" 1
535 1 39 LEU HA 1 43 THR MG 4.680 . 4.680 3.211 2.673 3.744 . 0 0 "[ . 1 . 2]" 1
536 1 39 LEU HB2 1 40 MET H 3.620 . 3.620 2.809 2.579 3.080 . 0 0 "[ . 1 . 2]" 1
537 1 39 LEU HB2 1 50 ILE MD 3.960 . 3.960 2.199 1.872 2.515 . 0 0 "[ . 1 . 2]" 1
538 1 39 LEU HB2 1 50 ILE MG 4.800 . 4.800 3.071 2.635 3.570 . 0 0 "[ . 1 . 2]" 1
539 1 39 LEU HB3 1 40 MET H 4.390 . 4.390 3.747 3.562 3.866 . 0 0 "[ . 1 . 2]" 1
540 1 39 LEU HB3 1 50 ILE MD 4.490 . 4.490 2.383 2.144 2.666 . 0 0 "[ . 1 . 2]" 1
541 1 39 LEU MD1 1 54 PHE QE 4.150 . 4.150 2.830 2.174 3.588 . 0 0 "[ . 1 . 2]" 1
542 1 39 LEU MD1 1 54 PHE HZ 4.140 . 4.140 2.681 1.989 3.525 . 0 0 "[ . 1 . 2]" 1
543 1 39 LEU MD2 1 43 THR H 5.470 . 5.470 4.766 4.311 5.309 . 0 0 "[ . 1 . 2]" 1
544 1 39 LEU MD2 1 43 THR MG 4.100 . 4.100 3.181 2.760 3.762 . 0 0 "[ . 1 . 2]" 1
545 1 39 LEU HG 1 40 MET H 5.430 . 5.430 4.557 4.285 4.776 . 0 0 "[ . 1 . 2]" 1
546 1 40 MET H 1 40 MET HB2 3.800 . 3.800 2.509 2.403 2.611 . 0 0 "[ . 1 . 2]" 1
547 1 40 MET H 1 40 MET ME 5.470 . 5.470 4.235 3.735 4.749 . 0 0 "[ . 1 . 2]" 1
548 1 40 MET H 1 40 MET HG2 4.270 . 4.270 3.530 3.290 3.883 . 0 0 "[ . 1 . 2]" 1
549 1 40 MET H 1 40 MET QG 3.490 . 3.490 2.390 2.189 2.524 . 0 0 "[ . 1 . 2]" 1
550 1 40 MET H 1 40 MET HG3 4.270 . 4.270 2.433 2.210 2.561 . 0 0 "[ . 1 . 2]" 1
551 1 40 MET H 1 41 LYS H 3.610 . 3.610 2.695 2.567 2.887 . 0 0 "[ . 1 . 2]" 1
552 1 40 MET H 1 50 ILE MD 4.120 . 4.120 3.052 2.873 3.262 . 0 0 "[ . 1 . 2]" 1
553 1 40 MET HA 1 40 MET QG 3.940 . 3.940 2.455 2.401 2.513 . 0 0 "[ . 1 . 2]" 1
554 1 40 MET HA 1 43 THR H 5.630 . 5.630 3.984 3.484 4.586 . 0 0 "[ . 1 . 2]" 1
555 1 40 MET HA 1 45 LEU H 4.270 . 4.270 3.149 2.602 3.716 . 0 0 "[ . 1 . 2]" 1
556 1 40 MET HA 1 50 ILE MD 3.840 . 3.840 2.591 2.306 2.983 . 0 0 "[ . 1 . 2]" 1
557 1 40 MET HB2 1 41 LYS H 3.600 . 3.600 2.781 2.633 2.970 . 0 0 "[ . 1 . 2]" 1
558 1 40 MET HB3 1 41 LYS H 4.440 . 4.440 3.713 3.472 3.877 . 0 0 "[ . 1 . 2]" 1
559 1 40 MET ME 1 40 MET QG 3.440 . 3.440 2.498 2.448 2.565 . 0 0 "[ . 1 . 2]" 1
560 1 40 MET ME 1 41 LYS H 5.030 . 5.030 4.673 4.263 5.137 0.107 19 0 "[ . 1 . 2]" 1
561 1 40 MET ME 1 46 THR HA 4.200 . 4.200 3.444 1.826 4.376 0.176 7 0 "[ . 1 . 2]" 1
562 1 40 MET ME 1 46 THR MG 5.640 . 5.640 4.578 3.287 5.508 . 0 0 "[ . 1 . 2]" 1
563 1 40 MET ME 1 47 LYS H 3.970 . 3.970 3.301 2.420 4.017 0.047 2 0 "[ . 1 . 2]" 1
564 1 40 MET ME 1 47 LYS HA 4.950 . 4.950 4.143 3.575 4.648 . 0 0 "[ . 1 . 2]" 1
565 1 40 MET ME 1 47 LYS QD 5.900 . 5.900 4.199 2.269 5.666 . 0 0 "[ . 1 . 2]" 1
566 1 40 MET ME 1 47 LYS QE 4.680 . 4.680 3.766 2.623 4.752 0.072 16 0 "[ . 1 . 2]" 1
567 1 40 MET ME 1 47 LYS QG 5.860 . 5.860 4.422 2.832 5.113 . 0 0 "[ . 1 . 2]" 1
568 1 40 MET QG 1 41 LYS H 4.920 . 4.920 4.214 4.075 4.359 . 0 0 "[ . 1 . 2]" 1
569 1 40 MET QG 1 47 LYS HA 4.790 . 4.790 3.159 2.844 3.552 . 0 0 "[ . 1 . 2]" 1
570 1 40 MET HG2 1 47 LYS HA 5.500 . 5.500 3.494 3.163 3.918 . 0 0 "[ . 1 . 2]" 1
571 1 40 MET HG2 1 50 ILE MD 4.170 . 4.170 2.338 2.052 2.713 . 0 0 "[ . 1 . 2]" 1
572 1 40 MET HG3 1 47 LYS HA 5.500 . 5.500 3.615 3.195 4.067 . 0 0 "[ . 1 . 2]" 1
573 1 40 MET HG3 1 50 ILE MD 4.170 . 4.170 2.359 1.809 2.706 . 0 0 "[ . 1 . 2]" 1
574 1 41 LYS H 1 41 LYS QB 3.000 . 3.000 2.444 2.380 2.542 . 0 0 "[ . 1 . 2]" 1
575 1 41 LYS H 1 41 LYS HG2 4.630 . 4.630 3.186 2.225 3.739 . 0 0 "[ . 1 . 2]" 1
576 1 41 LYS H 1 41 LYS HG3 3.770 . 3.770 2.747 2.057 3.705 . 0 0 "[ . 1 . 2]" 1
577 1 41 LYS H 1 42 ILE QG 5.030 . 5.030 4.093 3.932 4.258 . 0 0 "[ . 1 . 2]" 1
578 1 41 LYS H 1 43 THR H 4.730 . 4.730 4.352 4.066 4.666 . 0 0 "[ . 1 . 2]" 1
579 1 41 LYS HA 1 41 LYS HG2 4.310 . 4.310 2.751 2.535 3.224 . 0 0 "[ . 1 . 2]" 1
580 1 41 LYS QB 1 42 ILE H 3.450 . 3.450 2.819 2.409 3.191 . 0 0 "[ . 1 . 2]" 1
581 1 42 ILE H 1 42 ILE HB 3.400 . 3.400 2.556 2.439 2.687 . 0 0 "[ . 1 . 2]" 1
582 1 42 ILE H 1 42 ILE MD 4.500 . 4.500 3.390 3.220 3.650 . 0 0 "[ . 1 . 2]" 1
583 1 42 ILE H 1 42 ILE QG 3.310 . 3.310 2.356 2.181 2.616 . 0 0 "[ . 1 . 2]" 1
584 1 42 ILE H 1 42 ILE MG 4.200 . 4.200 3.849 3.805 3.908 . 0 0 "[ . 1 . 2]" 1
585 1 42 ILE H 1 43 THR H 3.440 . 3.440 2.541 2.245 2.716 . 0 0 "[ . 1 . 2]" 1
586 1 42 ILE H 1 43 THR MG 4.910 . 4.910 4.096 3.865 4.294 . 0 0 "[ . 1 . 2]" 1
587 1 42 ILE H 1 44 GLY H 4.330 . 4.330 3.957 3.571 4.350 0.020 3 0 "[ . 1 . 2]" 1
588 1 42 ILE HA 1 42 ILE MD 3.860 . 3.860 2.139 2.038 2.246 . 0 0 "[ . 1 . 2]" 1
589 1 42 ILE HA 1 42 ILE QG 4.000 . 4.000 3.012 2.924 3.095 . 0 0 "[ . 1 . 2]" 1
590 1 42 ILE HA 1 42 ILE MG 3.660 . 3.660 2.476 2.392 2.579 . 0 0 "[ . 1 . 2]" 1
591 1 42 ILE HB 1 43 THR H 3.970 . 3.970 2.524 2.235 2.830 . 0 0 "[ . 1 . 2]" 1
592 1 42 ILE HB 1 43 THR MG 4.470 . 4.470 2.934 2.666 3.209 . 0 0 "[ . 1 . 2]" 1
593 1 42 ILE MD 1 43 THR H 5.870 . 5.870 4.690 4.611 4.762 . 0 0 "[ . 1 . 2]" 1
594 1 42 ILE QG 1 43 THR H 4.440 . 4.440 3.994 3.832 4.192 . 0 0 "[ . 1 . 2]" 1
595 1 42 ILE MG 1 43 THR H 4.620 . 4.620 3.374 3.032 3.757 . 0 0 "[ . 1 . 2]" 1
596 1 42 ILE MG 1 43 THR HA 4.750 . 4.750 3.463 3.197 3.802 . 0 0 "[ . 1 . 2]" 1
597 1 42 ILE MG 1 43 THR MG 3.970 . 3.970 3.178 2.601 3.611 . 0 0 "[ . 1 . 2]" 1
598 1 43 THR H 1 43 THR MG 3.540 . 3.540 2.265 2.036 2.529 . 0 0 "[ . 1 . 2]" 1
599 1 43 THR H 1 44 GLY H 3.280 . 3.280 2.555 2.354 2.733 . 0 0 "[ . 1 . 2]" 1
600 1 43 THR HA 1 43 THR MG 3.610 . 3.610 2.465 2.412 2.521 . 0 0 "[ . 1 . 2]" 1
601 1 43 THR HB 1 44 GLY H 4.310 . 4.310 3.754 3.426 4.018 . 0 0 "[ . 1 . 2]" 1
602 1 43 THR HB 1 45 LEU H 4.690 . 4.690 3.301 2.854 3.998 . 0 0 "[ . 1 . 2]" 1
603 1 43 THR HB 1 45 LEU MD1 4.460 . 4.460 2.832 2.542 3.272 . 0 0 "[ . 1 . 2]" 1
604 1 43 THR HB 1 45 LEU HG 4.120 . 4.120 2.622 2.176 2.928 . 0 0 "[ . 1 . 2]" 1
605 1 43 THR MG 1 44 GLY H 4.880 . 4.880 3.862 3.737 4.009 . 0 0 "[ . 1 . 2]" 1
606 1 43 THR MG 1 45 LEU H 5.950 . 5.950 4.087 3.921 4.380 . 0 0 "[ . 1 . 2]" 1
607 1 43 THR MG 1 45 LEU MD1 4.570 . 4.570 2.934 2.538 3.456 . 0 0 "[ . 1 . 2]" 1
608 1 44 GLY H 1 45 LEU H 3.500 . 3.500 2.342 2.025 2.598 . 0 0 "[ . 1 . 2]" 1
609 1 45 LEU H 1 45 LEU HB2 3.450 . 3.450 2.444 2.370 2.502 . 0 0 "[ . 1 . 2]" 1
610 1 45 LEU H 1 45 LEU MD1 5.100 . 5.100 3.675 3.500 3.889 . 0 0 "[ . 1 . 2]" 1
611 1 45 LEU H 1 45 LEU MD2 4.510 . 4.510 3.608 3.264 3.964 . 0 0 "[ . 1 . 2]" 1
612 1 45 LEU H 1 45 LEU HG 3.310 . 3.310 2.537 2.236 3.044 . 0 0 "[ . 1 . 2]" 1
613 1 45 LEU H 1 50 ILE MD 5.050 . 5.050 3.817 3.309 4.299 . 0 0 "[ . 1 . 2]" 1
614 1 45 LEU HA 1 45 LEU MD2 3.490 . 3.490 2.124 1.985 2.227 . 0 0 "[ . 1 . 2]" 1
615 1 45 LEU HA 1 46 THR H 3.230 . 3.230 2.471 2.263 2.674 . 0 0 "[ . 1 . 2]" 1
616 1 45 LEU HA 1 46 THR MG 4.930 . 4.930 3.607 3.315 3.812 . 0 0 "[ . 1 . 2]" 1
617 1 45 LEU HA 1 49 GLU HB2 5.260 . 5.260 4.381 3.693 5.381 0.121 13 0 "[ . 1 . 2]" 1
618 1 45 LEU HB2 1 46 THR H 4.500 . 4.500 3.572 3.192 4.073 . 0 0 "[ . 1 . 2]" 1
619 1 45 LEU HB2 1 50 ILE MD 4.090 . 4.090 2.542 2.001 3.055 . 0 0 "[ . 1 . 2]" 1
620 1 45 LEU HB2 1 50 ILE HG12 5.390 . 5.390 3.114 2.426 3.711 . 0 0 "[ . 1 . 2]" 1
621 1 45 LEU HB2 1 50 ILE QG 4.550 . 4.550 2.623 2.188 3.059 . 0 0 "[ . 1 . 2]" 1
622 1 45 LEU HB2 1 50 ILE HG13 5.390 . 5.390 2.831 2.490 3.298 . 0 0 "[ . 1 . 2]" 1
623 1 45 LEU HB3 1 45 LEU MD2 3.540 . 3.540 2.411 2.377 2.492 . 0 0 "[ . 1 . 2]" 1
624 1 45 LEU HB3 1 46 THR H 3.250 . 3.250 2.389 2.057 3.057 . 0 0 "[ . 1 . 2]" 1
625 1 45 LEU HB3 1 49 GLU H 5.580 . 5.580 4.700 4.153 5.337 . 0 0 "[ . 1 . 2]" 1
626 1 45 LEU HB3 1 49 GLU HA 6.050 . 6.050 5.308 4.793 5.998 . 0 0 "[ . 1 . 2]" 1
627 1 45 LEU HB3 1 49 GLU HB2 4.910 . 4.910 2.692 1.915 4.283 . 0 0 "[ . 1 . 2]" 1
628 1 45 LEU HB3 1 49 GLU HB3 4.820 . 4.820 3.101 2.437 4.194 . 0 0 "[ . 1 . 2]" 1
629 1 45 LEU HB3 1 49 GLU QG 5.780 . 5.780 3.504 1.872 4.756 . 0 0 "[ . 1 . 2]" 1
630 1 45 LEU HB3 1 50 ILE H 4.840 . 4.840 4.031 3.598 4.557 . 0 0 "[ . 1 . 2]" 1
631 1 45 LEU HB3 1 50 ILE MD 4.940 . 4.940 3.631 3.201 4.273 . 0 0 "[ . 1 . 2]" 1
632 1 45 LEU HB3 1 50 ILE QG 4.440 . 4.440 2.808 2.546 3.546 . 0 0 "[ . 1 . 2]" 1
633 1 45 LEU MD1 1 46 THR H 5.100 . 5.100 4.470 4.152 4.930 . 0 0 "[ . 1 . 2]" 1
634 1 45 LEU MD1 1 49 GLU HB3 5.190 . 5.190 3.280 2.346 4.553 . 0 0 "[ . 1 . 2]" 1
635 1 45 LEU MD1 1 50 ILE HA 5.280 . 5.280 3.743 3.210 4.509 . 0 0 "[ . 1 . 2]" 1
636 1 45 LEU MD1 1 50 ILE QG 4.610 . 4.610 2.710 2.256 3.448 . 0 0 "[ . 1 . 2]" 1
637 1 45 LEU MD2 1 46 THR H 4.190 . 4.190 3.447 2.942 3.651 . 0 0 "[ . 1 . 2]" 1
638 1 45 LEU MD2 1 49 GLU HB2 5.700 . 5.700 3.576 2.874 4.830 . 0 0 "[ . 1 . 2]" 1
639 1 45 LEU MD2 1 49 GLU QG 4.870 . 4.870 3.107 2.085 4.543 . 0 0 "[ . 1 . 2]" 1
640 1 45 LEU HG 1 50 ILE MD 5.540 . 5.540 4.589 4.148 5.083 . 0 0 "[ . 1 . 2]" 1
641 1 46 THR H 1 46 THR MG 3.640 . 3.640 2.457 2.262 2.790 . 0 0 "[ . 1 . 2]" 1
642 1 46 THR H 1 49 GLU HB2 3.740 . 3.740 2.678 2.074 3.237 . 0 0 "[ . 1 . 2]" 1
643 1 46 THR H 1 49 GLU HB3 4.470 . 4.470 3.774 2.411 4.575 0.105 4 0 "[ . 1 . 2]" 1
644 1 46 THR H 1 49 GLU QG 5.450 . 5.450 3.013 2.223 3.813 . 0 0 "[ . 1 . 2]" 1
645 1 46 THR H 1 50 ILE H 4.550 . 4.550 4.469 4.072 4.637 0.087 12 0 "[ . 1 . 2]" 1
646 1 46 THR HA 1 46 THR MG 3.620 . 3.620 2.468 2.387 2.568 . 0 0 "[ . 1 . 2]" 1
647 1 46 THR HA 1 47 LYS H 3.180 . 3.180 2.414 2.304 2.547 . 0 0 "[ . 1 . 2]" 1
648 1 46 THR HA 1 49 GLU H 4.980 . 4.980 4.818 4.582 5.032 0.052 4 0 "[ . 1 . 2]" 1
649 1 46 THR HB 1 47 LYS H 3.400 . 3.400 2.436 2.071 2.791 . 0 0 "[ . 1 . 2]" 1
650 1 46 THR HB 1 48 GLY H 6.050 . 6.050 3.056 2.670 3.530 . 0 0 "[ . 1 . 2]" 1
651 1 46 THR HB 1 49 GLU H 4.900 . 4.900 3.905 3.589 4.587 . 0 0 "[ . 1 . 2]" 1
652 1 46 THR MG 1 47 LYS H 4.120 . 4.120 3.789 3.571 4.004 . 0 0 "[ . 1 . 2]" 1
653 1 46 THR MG 1 48 GLY H 6.050 . 6.050 4.498 4.145 4.950 . 0 0 "[ . 1 . 2]" 1
654 1 46 THR MG 1 49 GLU H 5.870 . 5.870 4.340 4.026 4.740 . 0 0 "[ . 1 . 2]" 1
655 1 46 THR MG 1 49 GLU HB2 5.190 . 5.190 4.260 3.611 4.947 . 0 0 "[ . 1 . 2]" 1
656 1 46 THR MG 1 49 GLU QG 5.730 . 5.730 3.588 2.602 4.817 . 0 0 "[ . 1 . 2]" 1
657 1 47 LYS H 1 47 LYS HB2 3.350 . 3.350 2.449 2.147 2.561 . 0 0 "[ . 1 . 2]" 1
658 1 47 LYS H 1 47 LYS HB3 3.540 . 3.540 2.590 2.441 3.618 0.078 10 0 "[ . 1 . 2]" 1
659 1 47 LYS H 1 47 LYS QD 4.910 . 4.910 4.542 3.791 4.821 . 0 0 "[ . 1 . 2]" 1
660 1 47 LYS H 1 47 LYS QG 4.730 . 4.730 3.936 2.476 4.064 . 0 0 "[ . 1 . 2]" 1
661 1 47 LYS H 1 48 GLY HA3 6.050 . 6.050 5.077 4.865 5.252 . 0 0 "[ . 1 . 2]" 1
662 1 47 LYS H 1 49 GLU H 4.990 . 4.990 4.404 4.083 4.759 . 0 0 "[ . 1 . 2]" 1
663 1 47 LYS HA 1 47 LYS QG 3.920 . 3.920 2.605 2.378 3.021 . 0 0 "[ . 1 . 2]" 1
664 1 47 LYS HA 1 50 ILE H 5.080 . 5.080 3.775 3.531 4.316 . 0 0 "[ . 1 . 2]" 1
665 1 47 LYS HA 1 50 ILE HB 4.360 . 4.360 3.004 2.528 3.839 . 0 0 "[ . 1 . 2]" 1
666 1 47 LYS HA 1 50 ILE MD 4.500 . 4.500 3.028 2.359 4.003 . 0 0 "[ . 1 . 2]" 1
667 1 47 LYS HB2 1 48 GLY H 6.050 . 6.050 3.851 2.825 4.145 . 0 0 "[ . 1 . 2]" 1
668 1 47 LYS HB3 1 48 GLY H 6.050 . 6.050 2.697 2.287 3.660 . 0 0 "[ . 1 . 2]" 1
669 1 47 LYS HB3 1 48 GLY HA2 5.860 . 5.860 4.418 4.090 4.642 . 0 0 "[ . 1 . 2]" 1
670 1 47 LYS HB3 1 48 GLY HA3 5.790 . 5.790 4.620 4.110 5.311 . 0 0 "[ . 1 . 2]" 1
671 1 47 LYS QG 1 48 GLY H 5.870 . 5.870 3.717 3.314 4.299 . 0 0 "[ . 1 . 2]" 1
672 1 48 GLY H 1 49 GLU H 3.850 . 3.850 2.779 2.615 2.935 . 0 0 "[ . 1 . 2]" 1
673 1 48 GLY HA2 1 51 LYS H 4.650 . 4.650 3.815 3.324 4.281 . 0 0 "[ . 1 . 2]" 1
674 1 48 GLY HA2 1 51 LYS HB2 5.310 . 5.310 3.004 2.345 3.466 . 0 0 "[ . 1 . 2]" 1
675 1 48 GLY HA2 1 51 LYS QB 4.550 . 4.550 2.967 2.328 3.417 . 0 0 "[ . 1 . 2]" 1
676 1 48 GLY HA2 1 51 LYS HB3 5.310 . 5.310 4.607 3.930 5.183 . 0 0 "[ . 1 . 2]" 1
677 1 48 GLY HA2 1 51 LYS QG 5.870 . 5.870 3.857 2.928 4.458 . 0 0 "[ . 1 . 2]" 1
678 1 48 GLY HA2 1 52 LYS H 5.120 . 5.120 4.121 3.747 4.555 . 0 0 "[ . 1 . 2]" 1
679 1 48 GLY HA3 1 51 LYS H 6.050 . 6.050 5.000 4.588 5.388 . 0 0 "[ . 1 . 2]" 1
680 1 48 GLY HA3 1 51 LYS QB 5.070 . 5.070 4.517 3.818 5.015 . 0 0 "[ . 1 . 2]" 1
681 1 49 GLU H 1 49 GLU HB2 3.340 . 3.340 2.445 2.271 2.660 . 0 0 "[ . 1 . 2]" 1
682 1 49 GLU H 1 49 GLU HB3 3.930 . 3.930 3.471 2.411 3.679 . 0 0 "[ . 1 . 2]" 1
683 1 49 GLU H 1 49 GLU QG 4.650 . 4.650 2.709 2.119 4.067 . 0 0 "[ . 1 . 2]" 1
684 1 49 GLU H 1 50 ILE H 3.420 . 3.420 2.721 2.566 2.902 . 0 0 "[ . 1 . 2]" 1
685 1 49 GLU H 1 51 LYS H 5.320 . 5.320 4.432 4.053 4.767 . 0 0 "[ . 1 . 2]" 1
686 1 49 GLU HA 1 49 GLU QG 3.760 . 3.760 2.701 2.375 3.141 . 0 0 "[ . 1 . 2]" 1
687 1 49 GLU HA 1 52 LYS H 5.260 . 5.260 3.827 3.416 4.191 . 0 0 "[ . 1 . 2]" 1
688 1 49 GLU HA 1 52 LYS QB 4.320 . 4.320 2.816 2.438 3.458 . 0 0 "[ . 1 . 2]" 1
689 1 49 GLU HA 1 52 LYS QG 6.050 . 6.050 3.997 2.726 5.405 . 0 0 "[ . 1 . 2]" 1
690 1 49 GLU HA 1 53 TRP H 5.450 . 5.450 4.338 4.136 5.003 . 0 0 "[ . 1 . 2]" 1
691 1 49 GLU HB2 1 50 ILE H 4.000 . 4.000 2.833 2.477 3.818 . 0 0 "[ . 1 . 2]" 1
692 1 50 ILE H 1 50 ILE HB 3.250 . 3.250 2.418 2.349 2.463 . 0 0 "[ . 1 . 2]" 1
693 1 50 ILE H 1 50 ILE MD 4.200 . 4.200 3.629 3.492 3.733 . 0 0 "[ . 1 . 2]" 1
694 1 50 ILE H 1 50 ILE HG12 4.220 . 4.220 3.502 3.394 3.618 . 0 0 "[ . 1 . 2]" 1
695 1 50 ILE H 1 50 ILE QG 3.280 . 3.280 2.225 2.128 2.344 . 0 0 "[ . 1 . 2]" 1
696 1 50 ILE H 1 50 ILE HG13 4.220 . 4.220 2.251 2.149 2.375 . 0 0 "[ . 1 . 2]" 1
697 1 50 ILE H 1 50 ILE MG 4.430 . 4.430 3.782 3.752 3.809 . 0 0 "[ . 1 . 2]" 1
698 1 50 ILE H 1 51 LYS H 3.490 . 3.490 2.755 2.606 2.888 . 0 0 "[ . 1 . 2]" 1
699 1 50 ILE HA 1 50 ILE HG12 4.260 . 4.260 2.514 2.416 2.584 . 0 0 "[ . 1 . 2]" 1
700 1 50 ILE HA 1 50 ILE QG 3.700 . 3.700 2.387 2.322 2.435 . 0 0 "[ . 1 . 2]" 1
701 1 50 ILE HA 1 50 ILE HG13 4.260 . 4.260 2.979 2.899 3.037 . 0 0 "[ . 1 . 2]" 1
702 1 50 ILE HA 1 52 LYS H 5.570 . 5.570 4.489 4.282 4.730 . 0 0 "[ . 1 . 2]" 1
703 1 50 ILE HA 1 53 TRP H 4.090 . 4.090 3.459 3.226 3.630 . 0 0 "[ . 1 . 2]" 1
704 1 50 ILE HA 1 53 TRP HB2 4.610 . 4.610 3.277 2.803 3.704 . 0 0 "[ . 1 . 2]" 1
705 1 50 ILE HA 1 53 TRP HB3 4.610 . 4.610 2.870 2.444 3.390 . 0 0 "[ . 1 . 2]" 1
706 1 50 ILE HA 1 53 TRP HE3 5.480 . 5.480 4.835 4.436 5.490 0.010 13 0 "[ . 1 . 2]" 1
707 1 50 ILE HB 1 51 LYS H 3.470 . 3.470 2.595 2.425 2.737 . 0 0 "[ . 1 . 2]" 1
708 1 50 ILE MD 1 50 ILE MG 3.390 . 3.390 2.030 2.002 2.046 . 0 0 "[ . 1 . 2]" 1
709 1 50 ILE MD 1 51 LYS H 5.940 . 5.940 4.679 4.523 4.848 . 0 0 "[ . 1 . 2]" 1
710 1 50 ILE MG 1 51 LYS H 4.300 . 4.300 3.255 3.014 3.430 . 0 0 "[ . 1 . 2]" 1
711 1 50 ILE MG 1 51 LYS HA 5.020 . 5.020 3.492 3.301 3.685 . 0 0 "[ . 1 . 2]" 1
712 1 50 ILE MG 1 53 TRP QB 4.590 . 4.590 3.708 3.406 4.089 . 0 0 "[ . 1 . 2]" 1
713 1 50 ILE MG 1 54 PHE H 5.190 . 5.190 4.315 4.105 4.527 . 0 0 "[ . 1 . 2]" 1
714 1 50 ILE MG 1 54 PHE QD 3.630 . 3.630 2.751 2.234 3.379 . 0 0 "[ . 1 . 2]" 1
715 1 50 ILE MG 1 54 PHE QE 4.250 . 4.250 1.970 1.740 2.370 . 0 0 "[ . 1 . 2]" 1
716 1 51 LYS H 1 51 LYS QB 3.450 . 3.450 2.409 2.288 2.604 . 0 0 "[ . 1 . 2]" 1
717 1 51 LYS H 1 51 LYS HG2 4.070 . 4.070 3.064 2.321 3.722 . 0 0 "[ . 1 . 2]" 1
718 1 51 LYS H 1 51 LYS QG 3.260 . 3.260 2.474 2.216 2.729 . 0 0 "[ . 1 . 2]" 1
719 1 51 LYS H 1 51 LYS HG3 4.070 . 4.070 3.071 2.247 3.923 . 0 0 "[ . 1 . 2]" 1
720 1 51 LYS H 1 52 LYS H 3.590 . 3.590 2.764 2.592 2.954 . 0 0 "[ . 1 . 2]" 1
721 1 51 LYS HA 1 51 LYS HG2 4.380 . 4.380 2.680 2.365 2.932 . 0 0 "[ . 1 . 2]" 1
722 1 51 LYS HA 1 51 LYS QG 3.710 . 3.710 2.586 2.310 2.834 . 0 0 "[ . 1 . 2]" 1
723 1 51 LYS HA 1 51 LYS HG3 4.380 . 4.380 3.434 2.909 3.817 . 0 0 "[ . 1 . 2]" 1
724 1 51 LYS HA 1 53 TRP H 5.780 . 5.780 4.368 4.086 4.630 . 0 0 "[ . 1 . 2]" 1
725 1 51 LYS HA 1 54 PHE HB2 4.810 . 4.810 3.111 2.258 3.827 . 0 0 "[ . 1 . 2]" 1
726 1 51 LYS HA 1 54 PHE HB3 5.490 . 5.490 4.744 3.902 5.490 . 0 0 "[ . 1 . 2]" 1
727 1 51 LYS HA 1 54 PHE QD 5.240 . 5.240 2.820 1.632 4.288 . 0 0 "[ . 1 . 2]" 1
728 1 52 LYS H 1 52 LYS QB 2.880 . 2.880 2.337 2.195 2.547 . 0 0 "[ . 1 . 2]" 1
729 1 52 LYS H 1 52 LYS QG 4.380 . 4.380 3.223 2.267 4.075 . 0 0 "[ . 1 . 2]" 1
730 1 52 LYS QB 1 53 TRP H 3.510 . 3.510 2.655 2.399 2.939 . 0 0 "[ . 1 . 2]" 1
731 1 52 LYS QG 1 53 TRP H 4.840 . 4.840 3.997 3.402 4.523 . 0 0 "[ . 1 . 2]" 1
732 1 53 TRP H 1 53 TRP HB2 3.510 . 3.510 2.540 2.472 2.649 . 0 0 "[ . 1 . 2]" 1
733 1 53 TRP H 1 53 TRP HB3 3.510 . 3.510 2.593 2.433 2.673 . 0 0 "[ . 1 . 2]" 1
734 1 53 TRP H 1 54 PHE H 3.640 . 3.640 2.815 2.690 2.923 . 0 0 "[ . 1 . 2]" 1
735 1 53 TRP HA 1 53 TRP HD1 3.990 . 3.990 3.260 3.128 3.400 . 0 0 "[ . 1 . 2]" 1
736 1 53 TRP HA 1 56 ASP HB2 4.490 . 4.490 3.172 2.596 4.275 . 0 0 "[ . 1 . 2]" 1
737 1 53 TRP HA 1 56 ASP HB3 5.070 . 5.070 4.317 2.775 5.140 0.070 6 0 "[ . 1 . 2]" 1
738 1 53 TRP QB 1 53 TRP HD1 3.490 . 3.490 2.643 2.604 2.677 . 0 0 "[ . 1 . 2]" 1
739 1 53 TRP QB 1 53 TRP HE3 3.840 . 3.840 2.587 2.532 2.644 . 0 0 "[ . 1 . 2]" 1
740 1 53 TRP QB 1 54 PHE H 3.770 . 3.770 2.501 2.407 2.634 . 0 0 "[ . 1 . 2]" 1
741 1 53 TRP HE3 1 54 PHE H 4.330 . 4.330 2.888 2.753 3.017 . 0 0 "[ . 1 . 2]" 1
742 1 53 TRP HE3 1 54 PHE HA 4.000 . 4.000 2.610 2.356 2.838 . 0 0 "[ . 1 . 2]" 1
743 1 53 TRP HE3 1 54 PHE QD 4.250 . 4.250 2.943 2.399 3.256 . 0 0 "[ . 1 . 2]" 1
744 1 53 TRP HH2 1 57 THR MG 4.250 . 4.250 2.810 2.564 3.183 . 0 0 "[ . 1 . 2]" 1
745 1 53 TRP HZ2 1 57 THR MG 4.250 . 4.250 3.557 3.161 4.174 . 0 0 "[ . 1 . 2]" 1
746 1 53 TRP HZ3 1 54 PHE HA 5.480 . 5.480 3.445 3.225 3.669 . 0 0 "[ . 1 . 2]" 1
747 1 54 PHE H 1 54 PHE HB2 3.530 . 3.530 2.404 2.310 2.508 . 0 0 "[ . 1 . 2]" 1
748 1 54 PHE H 1 54 PHE QD 3.830 . 3.830 2.711 2.113 3.342 . 0 0 "[ . 1 . 2]" 1
749 1 54 PHE H 1 55 SER H 3.710 . 3.710 2.761 2.644 2.889 . 0 0 "[ . 1 . 2]" 1
750 1 54 PHE HA 1 54 PHE QD 4.240 . 4.240 2.725 2.055 3.108 . 0 0 "[ . 1 . 2]" 1
751 1 54 PHE HA 1 57 THR H 4.900 . 4.900 3.563 3.138 4.070 . 0 0 "[ . 1 . 2]" 1
752 1 54 PHE HA 1 57 THR HB 4.460 . 4.460 2.709 2.294 3.299 . 0 0 "[ . 1 . 2]" 1
753 1 54 PHE HA 1 57 THR HG1 5.320 . 5.320 3.107 2.387 3.945 . 0 0 "[ . 1 . 2]" 1
754 1 54 PHE HB2 1 55 SER H 4.050 . 4.050 2.914 2.646 3.118 . 0 0 "[ . 1 . 2]" 1
755 1 54 PHE HB3 1 55 SER H 4.540 . 4.540 3.652 3.322 3.840 . 0 0 "[ . 1 . 2]" 1
756 1 54 PHE HB3 1 55 SER HA 5.820 . 5.820 4.450 4.255 4.700 . 0 0 "[ . 1 . 2]" 1
757 1 55 SER H 1 55 SER QB 3.730 . 3.730 2.420 2.263 2.665 . 0 0 "[ . 1 . 2]" 1
758 1 55 SER H 1 56 ASP H 3.630 . 3.630 2.718 2.617 2.855 . 0 0 "[ . 1 . 2]" 1
759 1 55 SER HA 1 58 ARG H 4.590 . 4.590 3.817 3.207 4.625 0.035 19 0 "[ . 1 . 2]" 1
760 1 55 SER QB 1 56 ASP H 4.200 . 4.200 2.589 2.289 3.441 . 0 0 "[ . 1 . 2]" 1
761 1 56 ASP H 1 56 ASP HB2 3.550 . 3.550 2.464 2.339 2.638 . 0 0 "[ . 1 . 2]" 1
762 1 56 ASP H 1 56 ASP HB3 4.080 . 4.080 3.412 2.483 3.653 . 0 0 "[ . 1 . 2]" 1
763 1 56 ASP H 1 57 THR H 3.730 . 3.730 2.648 2.549 2.725 . 0 0 "[ . 1 . 2]" 1
764 1 56 ASP HA 1 59 TYR H 4.400 . 4.400 3.518 3.213 3.842 . 0 0 "[ . 1 . 2]" 1
765 1 56 ASP HA 1 59 TYR HB2 4.690 . 4.690 3.668 3.221 4.517 . 0 0 "[ . 1 . 2]" 1
766 1 56 ASP HA 1 59 TYR HB3 4.390 . 4.390 2.816 2.165 3.715 . 0 0 "[ . 1 . 2]" 1
767 1 56 ASP HA 1 59 TYR QD 5.720 . 5.720 4.225 2.942 5.313 . 0 0 "[ . 1 . 2]" 1
768 1 56 ASP HB2 1 57 THR H 3.920 . 3.920 3.084 2.606 3.899 . 0 0 "[ . 1 . 2]" 1
769 1 56 ASP HB3 1 57 THR H 4.380 . 4.380 3.543 2.481 4.058 . 0 0 "[ . 1 . 2]" 1
770 1 57 THR H 1 57 THR HB 3.520 . 3.520 2.572 2.404 2.792 . 0 0 "[ . 1 . 2]" 1
771 1 57 THR H 1 57 THR HG1 3.750 . 3.750 2.585 2.328 2.792 . 0 0 "[ . 1 . 2]" 1
772 1 57 THR H 1 57 THR MG 4.360 . 4.360 3.827 3.789 3.878 . 0 0 "[ . 1 . 2]" 1
773 1 57 THR H 1 58 ARG H 3.470 . 3.470 2.641 2.428 2.921 . 0 0 "[ . 1 . 2]" 1
774 1 57 THR HA 1 60 ASN H 4.390 . 4.390 3.144 2.596 3.456 . 0 0 "[ . 1 . 2]" 1
775 1 57 THR HA 1 60 ASN QB 4.460 . 4.460 2.367 1.834 2.853 . 0 0 "[ . 1 . 2]" 1
776 1 57 THR HA 1 60 ASN HD21 5.030 . 5.030 3.758 2.072 5.177 0.147 9 0 "[ . 1 . 2]" 1
777 1 57 THR HB 1 58 ARG H 3.860 . 3.860 2.811 2.596 3.049 . 0 0 "[ . 1 . 2]" 1
778 1 57 THR MG 1 58 ARG H 4.330 . 4.330 3.657 3.328 3.903 . 0 0 "[ . 1 . 2]" 1
779 1 57 THR MG 1 58 ARG HA 5.210 . 5.210 3.834 3.473 4.161 . 0 0 "[ . 1 . 2]" 1
780 1 57 THR MG 1 58 ARG QB 5.870 . 5.870 4.825 4.138 5.272 . 0 0 "[ . 1 . 2]" 1
781 1 57 THR MG 1 60 ASN H 4.960 . 4.960 4.573 4.232 4.933 . 0 0 "[ . 1 . 2]" 1
782 1 57 THR MG 1 61 GLN H 6.050 . 6.050 4.174 3.640 5.106 . 0 0 "[ . 1 . 2]" 1
783 1 57 THR MG 1 61 GLN HG2 5.290 . 5.290 3.755 2.380 5.300 0.010 1 0 "[ . 1 . 2]" 1
784 1 57 THR MG 1 61 GLN QG 4.590 . 4.590 3.303 2.321 4.629 0.039 1 0 "[ . 1 . 2]" 1
785 1 57 THR MG 1 61 GLN HG3 5.290 . 5.290 3.881 2.637 5.105 . 0 0 "[ . 1 . 2]" 1
786 1 58 ARG H 1 58 ARG HB2 3.850 . 3.850 2.324 2.158 2.565 . 0 0 "[ . 1 . 2]" 1
787 1 58 ARG H 1 58 ARG QB 3.310 . 3.310 2.260 2.128 2.518 . 0 0 "[ . 1 . 2]" 1
788 1 58 ARG H 1 58 ARG HB3 3.850 . 3.850 3.267 2.393 3.671 . 0 0 "[ . 1 . 2]" 1
789 1 58 ARG H 1 58 ARG QG 3.720 . 3.720 3.197 2.250 3.949 0.229 20 0 "[ . 1 . 2]" 1
790 1 58 ARG H 1 59 TYR H 3.390 . 3.390 2.716 2.583 2.945 . 0 0 "[ . 1 . 2]" 1
791 1 58 ARG HA 1 58 ARG HG2 4.320 . 4.320 2.677 2.352 3.326 . 0 0 "[ . 1 . 2]" 1
792 1 58 ARG HA 1 58 ARG QG 3.430 . 3.430 2.475 2.276 2.769 . 0 0 "[ . 1 . 2]" 1
793 1 58 ARG HA 1 58 ARG HG3 4.320 . 4.320 3.240 2.385 3.819 . 0 0 "[ . 1 . 2]" 1
794 1 58 ARG QB 1 59 TYR H 3.620 . 3.620 2.706 2.528 3.042 . 0 0 "[ . 1 . 2]" 1
795 1 58 ARG HB2 1 59 TYR H 4.270 . 4.270 3.220 2.617 3.927 . 0 0 "[ . 1 . 2]" 1
796 1 58 ARG HB3 1 59 TYR H 4.270 . 4.270 3.188 2.627 3.757 . 0 0 "[ . 1 . 2]" 1
797 1 59 TYR H 1 59 TYR HB2 3.430 . 3.430 2.689 2.516 3.018 . 0 0 "[ . 1 . 2]" 1
798 1 59 TYR H 1 59 TYR HB3 3.520 . 3.520 2.435 2.206 2.579 . 0 0 "[ . 1 . 2]" 1
799 1 59 TYR H 1 59 TYR QD 4.820 . 4.820 4.236 4.005 4.291 . 0 0 "[ . 1 . 2]" 1
800 1 59 TYR H 1 60 ASN H 3.640 . 3.640 2.691 2.481 2.855 . 0 0 "[ . 1 . 2]" 1
801 1 59 TYR HA 1 59 TYR QD 3.530 . 3.530 2.816 2.600 3.056 . 0 0 "[ . 1 . 2]" 1
802 1 59 TYR HB2 1 60 ASN H 4.370 . 4.370 3.985 3.820 4.149 . 0 0 "[ . 1 . 2]" 1
803 1 59 TYR HB3 1 60 ASN H 3.720 . 3.720 2.681 2.398 2.939 . 0 0 "[ . 1 . 2]" 1
804 1 59 TYR QD 1 60 ASN H 3.870 . 3.870 3.453 3.050 3.793 . 0 0 "[ . 1 . 2]" 1
805 1 59 TYR QD 1 60 ASN HA 3.910 . 3.910 3.517 3.195 3.801 . 0 0 "[ . 1 . 2]" 1
806 1 59 TYR QE 1 60 ASN HA 4.610 . 4.610 4.553 4.122 4.751 0.141 2 0 "[ . 1 . 2]" 1
807 1 59 TYR QE 1 63 ASN QB 4.520 . 4.520 3.670 2.991 4.512 . 0 0 "[ . 1 . 2]" 1
808 1 60 ASN H 1 60 ASN QB 3.270 . 3.270 2.311 2.192 2.533 . 0 0 "[ . 1 . 2]" 1
809 1 60 ASN H 1 61 GLN H 3.720 . 3.720 2.694 2.529 2.852 . 0 0 "[ . 1 . 2]" 1
810 1 60 ASN HA 1 63 ASN QB 5.230 . 5.230 2.954 2.041 5.332 0.102 20 0 "[ . 1 . 2]" 1
811 1 60 ASN QB 1 61 GLN H 3.950 . 3.950 2.875 2.547 3.342 . 0 0 "[ . 1 . 2]" 1
812 1 61 GLN H 1 61 GLN HB2 3.810 . 3.810 2.476 2.166 2.750 . 0 0 "[ . 1 . 2]" 1
813 1 61 GLN H 1 61 GLN QB 3.260 . 3.260 2.361 2.124 2.610 . 0 0 "[ . 1 . 2]" 1
814 1 61 GLN H 1 61 GLN HB3 3.810 . 3.810 3.270 2.246 3.681 . 0 0 "[ . 1 . 2]" 1
815 1 61 GLN H 1 61 GLN HG2 5.100 . 5.100 3.364 2.195 4.500 . 0 0 "[ . 1 . 2]" 1
816 1 61 GLN H 1 61 GLN QG 4.430 . 4.430 3.053 2.145 4.071 . 0 0 "[ . 1 . 2]" 1
817 1 61 GLN H 1 61 GLN HG3 5.100 . 5.100 3.941 2.169 4.647 . 0 0 "[ . 1 . 2]" 1
818 1 61 GLN H 1 62 ARG H 3.590 . 3.590 2.634 2.293 2.789 . 0 0 "[ . 1 . 2]" 1
819 1 61 GLN HA 1 61 GLN QG 3.980 . 3.980 2.729 2.403 3.170 . 0 0 "[ . 1 . 2]" 1
820 1 61 GLN HB2 1 62 ARG H 4.470 . 4.470 3.335 2.329 4.429 . 0 0 "[ . 1 . 2]" 1
821 1 61 GLN HB3 1 62 ARG H 4.470 . 4.470 3.554 2.556 4.343 . 0 0 "[ . 1 . 2]" 1
822 1 61 GLN HG2 1 62 ARG H 6.050 . 6.050 4.754 4.019 5.664 . 0 0 "[ . 1 . 2]" 1
823 1 61 GLN HG3 1 62 ARG H 6.050 . 6.050 5.148 4.448 6.063 0.013 19 0 "[ . 1 . 2]" 1
824 1 62 ARG H 1 62 ARG QB 3.330 . 3.330 2.779 2.196 3.391 0.061 20 0 "[ . 1 . 2]" 1
825 1 62 ARG H 1 62 ARG QG 3.760 . 3.760 2.394 1.922 3.979 0.219 11 0 "[ . 1 . 2]" 1
826 1 62 ARG H 1 63 ASN H 4.150 . 4.150 2.433 1.616 2.935 . 0 0 "[ . 1 . 2]" 1
827 1 62 ARG QB 1 63 ASN H 5.270 . 5.270 3.578 2.369 4.096 . 0 0 "[ . 1 . 2]" 1
828 1 62 ARG QG 1 63 ASN HA 5.680 . 5.680 4.124 3.549 5.816 0.136 2 0 "[ . 1 . 2]" 1
829 1 63 ASN HA 1 63 ASN QD 4.120 . 4.120 3.329 1.993 4.130 0.010 10 0 "[ . 1 . 2]" 1
830 1 63 ASN HA 1 64 SER H 3.370 . 3.370 2.521 2.161 3.569 0.199 1 0 "[ . 1 . 2]" 1
831 1 65 LYS QG 1 66 SER H 6.050 . 6.050 3.663 2.169 5.008 . 0 0 "[ . 1 . 2]" 1
832 1 69 CYS QB 1 70 LEU H 4.930 . 4.930 3.421 1.956 4.089 . 0 0 "[ . 1 . 2]" 1
833 1 70 LEU H 1 70 LEU QB 3.910 . 3.910 2.439 2.166 3.074 . 0 0 "[ . 1 . 2]" 1
834 1 70 LEU HA 1 70 LEU MD1 4.740 . 4.740 3.156 2.061 3.920 . 0 0 "[ . 1 . 2]" 1
835 1 70 LEU HA 1 70 LEU MD2 4.440 . 4.440 3.263 2.062 4.155 . 0 0 "[ . 1 . 2]" 1
836 1 72 LEU H 1 72 LEU HG 5.120 . 5.120 3.764 1.923 4.554 . 0 0 "[ . 1 . 2]" 1
837 1 72 LEU HA 1 72 LEU MD2 4.490 . 4.490 3.517 2.052 4.168 . 0 0 "[ . 1 . 2]" 1
838 1 72 LEU HA 1 72 LEU HG 4.300 . 4.300 3.192 2.490 3.876 . 0 0 "[ . 1 . 2]" 1
839 1 73 ASN HA 1 74 ASN H 3.720 . 3.720 2.320 2.147 3.219 . 0 0 "[ . 1 . 2]" 1
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