NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
643058 |
6hq1   |
34318 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6hq1
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 701
_Distance_constraint_stats_list.Viol_count 1174
_Distance_constraint_stats_list.Viol_total 2111.473
_Distance_constraint_stats_list.Viol_max 0.315
_Distance_constraint_stats_list.Viol_rms 0.0321
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0899
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 0.229 0.093 8 0 "[ . 1 . 2]"
1 4 PRO 0.046 0.015 15 0 "[ . 1 . 2]"
1 5 LYS 0.143 0.097 19 0 "[ . 1 . 2]"
1 6 TYR 3.815 0.158 7 0 "[ . 1 . 2]"
1 7 SER 1.861 0.289 4 0 "[ . 1 . 2]"
1 8 ASP 0.097 0.097 19 0 "[ . 1 . 2]"
1 9 MET 2.440 0.157 11 0 "[ . 1 . 2]"
1 10 ILE 11.688 0.298 12 0 "[ . 1 . 2]"
1 11 VAL 3.117 0.165 13 0 "[ . 1 . 2]"
1 12 ALA 4.803 0.161 6 0 "[ . 1 . 2]"
1 13 ALA 1.827 0.113 19 0 "[ . 1 . 2]"
1 14 ILE 10.309 0.298 12 0 "[ . 1 . 2]"
1 15 GLN 6.665 0.264 16 0 "[ . 1 . 2]"
1 16 ALA 1.091 0.085 7 0 "[ . 1 . 2]"
1 17 GLU 2.504 0.308 8 0 "[ . 1 . 2]"
1 18 LYS 2.404 0.169 19 0 "[ . 1 . 2]"
1 19 ASN 1.769 0.308 8 0 "[ . 1 . 2]"
1 20 ARG 0.306 0.227 3 0 "[ . 1 . 2]"
1 21 ALA 0.245 0.073 2 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.003 0.003 11 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 4.644 0.272 8 0 "[ . 1 . 2]"
1 26 GLN 0.229 0.140 11 0 "[ . 1 . 2]"
1 27 SER 0.229 0.140 11 0 "[ . 1 . 2]"
1 28 ILE 7.989 0.313 14 0 "[ . 1 . 2]"
1 29 GLN 1.941 0.154 18 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 TYR 4.434 0.113 19 0 "[ . 1 . 2]"
1 32 ILE 5.001 0.178 18 0 "[ . 1 . 2]"
1 33 LYS 0.035 0.035 11 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 HIS 1.578 0.110 6 0 "[ . 1 . 2]"
1 36 TYR 6.124 0.178 18 0 "[ . 1 . 2]"
1 37 LYS 0.569 0.224 9 0 "[ . 1 . 2]"
1 38 VAL 0.224 0.224 9 0 "[ . 1 . 2]"
1 39 GLY 0.083 0.038 9 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 1.646 0.082 6 0 "[ . 1 . 2]"
1 43 ASP 0.949 0.154 18 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLN 2.732 0.120 16 0 "[ . 1 . 2]"
1 46 ILE 6.564 0.149 2 0 "[ . 1 . 2]"
1 47 LYS 0.419 0.150 2 0 "[ . 1 . 2]"
1 48 LEU 1.278 0.150 2 0 "[ . 1 . 2]"
1 49 SER 0.196 0.151 9 0 "[ . 1 . 2]"
1 50 ILE 5.392 0.313 14 0 "[ . 1 . 2]"
1 51 LYS 3.087 0.271 6 0 "[ . 1 . 2]"
1 52 ARG 6.085 0.180 9 0 "[ . 1 . 2]"
1 53 LEU 4.338 0.180 9 0 "[ . 1 . 2]"
1 54 VAL 0.445 0.062 16 0 "[ . 1 . 2]"
1 55 THR 5.301 0.180 4 0 "[ . 1 . 2]"
1 56 THR 0.059 0.019 6 0 "[ . 1 . 2]"
1 57 GLY 2.475 0.180 4 0 "[ . 1 . 2]"
1 58 VAL 0.196 0.033 13 0 "[ . 1 . 2]"
1 59 LEU 2.164 0.315 13 0 "[ . 1 . 2]"
1 60 LYS 7.363 0.277 13 0 "[ . 1 . 2]"
1 61 GLN 7.186 0.236 4 0 "[ . 1 . 2]"
1 62 THR 2.074 0.095 16 0 "[ . 1 . 2]"
1 63 LYS 11.448 0.286 3 0 "[ . 1 . 2]"
1 64 GLY 1.669 0.135 13 0 "[ . 1 . 2]"
1 65 VAL 1.671 0.135 13 0 "[ . 1 . 2]"
1 68 SER 4.644 0.272 8 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 SER 12.518 0.286 3 0 "[ . 1 . 2]"
1 71 PHE 3.476 0.240 4 0 "[ . 1 . 2]"
1 72 ARG 8.904 0.236 4 0 "[ . 1 . 2]"
1 73 LEU 2.210 0.089 14 0 "[ . 1 . 2]"
1 74 ALA 5.766 0.277 13 0 "[ . 1 . 2]"
1 75 LYS 1.575 0.146 13 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 3 HIS HA 1 4 PRO QD 2.880 . 3.960 1.973 1.894 2.086 . 0 0 "[ . 1 . 2]" 1
2 1 3 HIS QB 1 4 PRO QD 2.990 . 4.180 2.812 2.011 3.839 . 0 0 "[ . 1 . 2]" 1
3 1 3 HIS HE1 1 6 TYR QD 3.420 . 5.040 3.745 2.808 5.059 0.019 11 0 "[ . 1 . 2]" 1
4 1 3 HIS HE1 1 6 TYR QE 2.600 . 3.400 2.906 2.284 3.493 0.093 8 0 "[ . 1 . 2]" 1
5 1 4 PRO QB 1 5 LYS H 3.040 . 4.280 2.589 2.213 3.421 . 0 0 "[ . 1 . 2]" 1
6 1 4 PRO QB 1 5 LYS QB 3.250 . 4.700 3.785 3.575 4.399 . 0 0 "[ . 1 . 2]" 1
7 1 4 PRO QB 1 5 LYS QG 2.810 . 3.830 2.668 2.505 2.855 . 0 0 "[ . 1 . 2]" 1
8 1 4 PRO QD 1 5 LYS QB 3.350 . 4.900 4.667 4.437 4.893 . 0 0 "[ . 1 . 2]" 1
9 1 4 PRO QD 1 5 LYS QG 3.550 . 5.300 4.913 4.446 5.140 . 0 0 "[ . 1 . 2]" 1
10 1 4 PRO QG 1 5 LYS QB 2.860 . 3.920 3.797 3.523 3.935 0.015 15 0 "[ . 1 . 2]" 1
11 1 4 PRO QG 1 5 LYS QG 3.140 . 4.480 3.850 2.844 4.288 . 0 0 "[ . 1 . 2]" 1
12 1 5 LYS H 1 5 LYS QB 2.730 . 3.660 2.663 2.648 2.690 . 0 0 "[ . 1 . 2]" 1
13 1 5 LYS H 1 5 LYS QG 2.790 . 3.780 3.071 3.009 3.124 . 0 0 "[ . 1 . 2]" 1
14 1 5 LYS HA 1 5 LYS QG 2.680 . 3.560 2.564 2.436 3.022 . 0 0 "[ . 1 . 2]" 1
15 1 5 LYS QB 1 6 TYR HA 3.370 . 4.940 4.451 4.419 4.526 . 0 0 "[ . 1 . 2]" 1
16 1 5 LYS QB 1 7 SER H 3.510 . 4.420 2.644 2.490 3.366 . 0 0 "[ . 1 . 2]" 1
17 1 5 LYS QB 1 8 ASP QB 3.100 . 4.400 2.633 2.035 3.188 . 0 0 "[ . 1 . 2]" 1
18 1 5 LYS QG 1 8 ASP QB 3.270 . 4.750 4.151 3.599 4.847 0.097 19 0 "[ . 1 . 2]" 1
19 1 6 TYR H 1 6 TYR QD 2.910 . 4.020 2.435 2.358 2.598 . 0 0 "[ . 1 . 2]" 1
20 1 6 TYR HA 1 6 TYR QD 2.920 . 4.040 3.033 2.916 3.069 . 0 0 "[ . 1 . 2]" 1
21 1 6 TYR HA 1 6 TYR QE 3.170 . 4.540 4.545 4.498 4.559 0.019 18 0 "[ . 1 . 2]" 1
22 1 6 TYR QB 1 7 SER H 3.360 . 4.920 2.797 2.748 2.967 . 0 0 "[ . 1 . 2]" 1
23 1 6 TYR QB 1 10 ILE MD 3.130 . 4.460 2.790 2.673 2.960 . 0 0 "[ . 1 . 2]" 1
24 1 6 TYR QB 1 46 ILE HA 3.440 . 5.090 3.630 3.355 3.938 . 0 0 "[ . 1 . 2]" 1
25 1 6 TYR QD 1 10 ILE MD 3.090 . 4.380 3.844 3.794 3.912 . 0 0 "[ . 1 . 2]" 1
26 1 6 TYR QD 1 46 ILE HA 3.000 . 4.200 2.778 2.633 2.978 . 0 0 "[ . 1 . 2]" 1
27 1 6 TYR QD 1 46 ILE HB 3.610 . 5.420 4.791 4.600 4.945 . 0 0 "[ . 1 . 2]" 1
28 1 6 TYR QD 1 46 ILE MG 2.720 . 3.640 3.664 3.568 3.705 0.065 9 0 "[ . 1 . 2]" 1
29 1 6 TYR QE 1 10 ILE MD 3.650 . 5.500 5.624 5.584 5.658 0.158 7 0 "[ . 1 . 2]" 1
30 1 6 TYR QE 1 42 ALA HA 2.910 . 4.020 3.574 3.155 4.038 0.018 4 0 "[ . 1 . 2]" 1
31 1 6 TYR QE 1 42 ALA MB 2.900 . 4.000 2.676 2.435 3.055 . 0 0 "[ . 1 . 2]" 1
32 1 6 TYR QE 1 46 ILE HA 2.980 . 4.170 3.828 3.640 4.040 . 0 0 "[ . 1 . 2]" 1
33 1 6 TYR QE 1 46 ILE HB 3.580 . 5.370 4.741 4.645 4.911 . 0 0 "[ . 1 . 2]" 1
34 1 6 TYR QE 1 46 ILE MD 2.560 . 3.320 3.329 3.294 3.359 0.039 20 0 "[ . 1 . 2]" 1
35 1 6 TYR QE 1 46 ILE QG 2.380 . 2.960 2.146 2.079 2.266 . 0 0 "[ . 1 . 2]" 1
36 1 7 SER H 1 7 SER QB 2.690 . 3.570 2.512 2.317 2.575 . 0 0 "[ . 1 . 2]" 1
37 1 7 SER H 1 8 ASP H 3.290 . 4.780 2.697 2.657 2.732 . 0 0 "[ . 1 . 2]" 1
38 1 7 SER H 1 10 ILE HB 3.650 . 5.500 4.988 4.762 5.077 . 0 0 "[ . 1 . 2]" 1
39 1 7 SER HA 1 53 LEU QD 3.150 . 4.500 2.199 2.118 2.343 . 0 0 "[ . 1 . 2]" 1
40 1 7 SER QB 1 10 ILE HB 3.170 . 4.540 4.007 3.683 4.237 . 0 0 "[ . 1 . 2]" 1
41 1 7 SER QB 1 10 ILE MG 3.220 . 4.640 4.719 4.375 4.929 0.289 4 0 "[ . 1 . 2]" 1
42 1 7 SER QB 1 53 LEU QD . . 3.000 2.209 1.901 2.509 . 0 0 "[ . 1 . 2]" 1
43 1 7 SER QB 1 53 LEU HG 3.270 . 4.740 4.172 3.542 4.754 0.014 2 0 "[ . 1 . 2]" 1
44 1 8 ASP HA 1 11 VAL H 2.980 . 4.170 3.314 3.207 3.421 . 0 0 "[ . 1 . 2]" 1
45 1 8 ASP HA 1 11 VAL HB 2.650 . 3.500 2.657 2.466 2.810 . 0 0 "[ . 1 . 2]" 1
46 1 8 ASP HA 1 11 VAL QG 3.440 . 3.610 2.787 2.648 2.932 . 0 0 "[ . 1 . 2]" 1
47 1 8 ASP QB 1 9 MET H 3.420 . 4.300 2.656 2.579 2.704 . 0 0 "[ . 1 . 2]" 1
48 1 9 MET H 1 9 MET QB 2.690 . 3.580 2.410 2.386 2.452 . 0 0 "[ . 1 . 2]" 1
49 1 9 MET H 1 10 ILE H 2.940 . 4.090 2.611 2.579 2.647 . 0 0 "[ . 1 . 2]" 1
50 1 9 MET HA 1 11 VAL QG 3.480 . 5.160 5.274 5.237 5.317 0.157 11 0 "[ . 1 . 2]" 1
51 1 9 MET HA 1 12 ALA MB 2.550 . 3.300 2.602 2.489 2.704 . 0 0 "[ . 1 . 2]" 1
52 1 9 MET HA 1 13 ALA H 3.520 . 5.240 4.074 3.955 4.190 . 0 0 "[ . 1 . 2]" 1
53 1 9 MET HA 1 13 ALA MB 3.650 . 5.500 4.810 4.686 4.942 . 0 0 "[ . 1 . 2]" 1
54 1 9 MET HA 1 32 ILE MD 3.250 . 4.710 4.294 4.209 4.448 . 0 0 "[ . 1 . 2]" 1
55 1 9 MET HA 1 36 TYR QE 2.860 . 3.920 3.398 3.070 3.860 . 0 0 "[ . 1 . 2]" 1
56 1 9 MET QB 1 10 ILE H 2.870 . 3.930 2.617 2.527 2.673 . 0 0 "[ . 1 . 2]" 1
57 1 9 MET QB 1 10 ILE HA 3.170 . 4.540 3.811 3.744 3.860 . 0 0 "[ . 1 . 2]" 1
58 1 9 MET QB 1 36 TYR QD 2.710 . 3.620 3.421 3.086 3.637 0.017 2 0 "[ . 1 . 2]" 1
59 1 9 MET QB 1 36 TYR QE 2.710 . 3.620 3.446 3.057 3.673 0.053 17 0 "[ . 1 . 2]" 1
60 1 10 ILE H 1 10 ILE HB 2.670 . 3.540 2.347 2.312 2.370 . 0 0 "[ . 1 . 2]" 1
61 1 10 ILE H 1 10 ILE MD 2.920 . 4.040 3.358 3.318 3.406 . 0 0 "[ . 1 . 2]" 1
62 1 10 ILE H 1 10 ILE QG 3.140 . 4.480 2.308 2.265 2.373 . 0 0 "[ . 1 . 2]" 1
63 1 10 ILE H 1 10 ILE MG 2.910 . 4.020 3.729 3.716 3.741 . 0 0 "[ . 1 . 2]" 1
64 1 10 ILE H 1 11 VAL H 2.960 . 4.120 2.703 2.665 2.751 . 0 0 "[ . 1 . 2]" 1
65 1 10 ILE H 1 32 ILE MD 2.880 . 3.960 3.407 3.240 3.617 . 0 0 "[ . 1 . 2]" 1
66 1 10 ILE HA 1 10 ILE MD 2.750 . 3.700 3.831 3.818 3.838 0.138 14 0 "[ . 1 . 2]" 1
67 1 10 ILE HA 1 10 ILE QG 2.630 . 3.460 2.321 2.299 2.334 . 0 0 "[ . 1 . 2]" 1
68 1 10 ILE HA 1 10 ILE MG 2.720 . 3.640 2.447 2.416 2.503 . 0 0 "[ . 1 . 2]" 1
69 1 10 ILE HA 1 12 ALA H 3.310 . 4.820 4.411 4.376 4.456 . 0 0 "[ . 1 . 2]" 1
70 1 10 ILE HA 1 12 ALA MB 3.420 . 5.040 4.840 4.771 4.904 . 0 0 "[ . 1 . 2]" 1
71 1 10 ILE HA 1 13 ALA H 2.960 . 4.120 3.250 3.144 3.331 . 0 0 "[ . 1 . 2]" 1
72 1 10 ILE HA 1 13 ALA HA 3.650 . 5.500 5.287 5.096 5.416 . 0 0 "[ . 1 . 2]" 1
73 1 10 ILE HA 1 13 ALA MB 2.790 . 3.780 2.659 2.502 2.795 . 0 0 "[ . 1 . 2]" 1
74 1 10 ILE HA 1 28 ILE MG 2.560 . 3.330 2.597 2.462 2.778 . 0 0 "[ . 1 . 2]" 1
75 1 10 ILE HA 1 32 ILE MD 2.470 . 3.140 2.323 2.151 2.467 . 0 0 "[ . 1 . 2]" 1
76 1 10 ILE HB 1 10 ILE MD 2.670 . 3.540 2.355 2.333 2.380 . 0 0 "[ . 1 . 2]" 1
77 1 10 ILE HB 1 11 VAL H 2.800 . 3.800 2.671 2.617 2.739 . 0 0 "[ . 1 . 2]" 1
78 1 10 ILE HB 1 53 LEU QD 2.910 . 4.020 2.720 2.572 2.855 . 0 0 "[ . 1 . 2]" 1
79 1 10 ILE HB 1 59 LEU QD 3.570 . 5.340 3.785 3.620 4.104 . 0 0 "[ . 1 . 2]" 1
80 1 10 ILE MD 1 49 SER QB 2.670 . 3.540 2.031 1.908 2.141 . 0 0 "[ . 1 . 2]" 1
81 1 10 ILE MD 1 50 ILE H 2.850 . 3.890 2.896 2.755 3.067 . 0 0 "[ . 1 . 2]" 1
82 1 10 ILE MD 1 50 ILE HA 2.880 . 3.960 2.386 2.235 2.607 . 0 0 "[ . 1 . 2]" 1
83 1 10 ILE MD 1 50 ILE HB 3.040 . 4.290 3.981 3.880 4.098 . 0 0 "[ . 1 . 2]" 1
84 1 10 ILE MD 1 51 LYS H 3.650 . 5.500 4.888 4.766 5.011 . 0 0 "[ . 1 . 2]" 1
85 1 10 ILE MD 1 53 LEU QB 3.380 . 4.960 3.733 3.630 3.828 . 0 0 "[ . 1 . 2]" 1
86 1 10 ILE QG 1 14 ILE MD 3.100 . 4.320 4.509 4.434 4.618 0.298 12 0 "[ . 1 . 2]" 1
87 1 10 ILE QG 1 28 ILE MD 2.780 . 3.760 3.807 3.769 3.843 0.083 2 0 "[ . 1 . 2]" 1
88 1 10 ILE QG 1 28 ILE MG 2.790 . 3.770 2.390 2.264 2.499 . 0 0 "[ . 1 . 2]" 1
89 1 10 ILE MG 1 11 VAL H 2.900 . 4.000 3.235 3.182 3.285 . 0 0 "[ . 1 . 2]" 1
90 1 10 ILE MG 1 11 VAL HA 2.870 . 3.940 3.166 3.111 3.220 . 0 0 "[ . 1 . 2]" 1
91 1 10 ILE MG 1 13 ALA MB 3.200 . 4.600 3.345 3.126 3.495 . 0 0 "[ . 1 . 2]" 1
92 1 10 ILE MG 1 28 ILE HB 3.650 . 5.500 4.632 4.464 4.945 . 0 0 "[ . 1 . 2]" 1
93 1 10 ILE MG 1 50 ILE HA 3.200 . 4.600 3.219 3.014 3.539 . 0 0 "[ . 1 . 2]" 1
94 1 10 ILE MG 1 53 LEU QB 3.650 . 5.500 3.846 3.703 4.017 . 0 0 "[ . 1 . 2]" 1
95 1 10 ILE MG 1 59 LEU HG 3.270 . 4.750 3.996 3.067 4.195 . 0 0 "[ . 1 . 2]" 1
96 1 11 VAL H 1 11 VAL HB 2.570 . 3.340 2.442 2.427 2.458 . 0 0 "[ . 1 . 2]" 1
97 1 11 VAL H 1 11 VAL QG 2.500 . 3.200 2.326 2.307 2.338 . 0 0 "[ . 1 . 2]" 1
98 1 11 VAL H 1 12 ALA MB 3.480 . 5.160 4.432 4.401 4.453 . 0 0 "[ . 1 . 2]" 1
99 1 11 VAL HA 1 11 VAL QG 2.520 . 3.230 2.065 2.058 2.076 . 0 0 "[ . 1 . 2]" 1
100 1 11 VAL HA 1 13 ALA H 3.190 . 4.590 4.387 4.285 4.446 . 0 0 "[ . 1 . 2]" 1
101 1 11 VAL HA 1 14 ILE H 3.060 . 4.320 3.316 3.122 3.428 . 0 0 "[ . 1 . 2]" 1
102 1 11 VAL HA 1 14 ILE HB 2.720 . 3.640 2.833 2.636 3.032 . 0 0 "[ . 1 . 2]" 1
103 1 11 VAL HA 1 14 ILE MD 2.960 . 4.130 3.506 3.069 4.295 0.165 13 0 "[ . 1 . 2]" 1
104 1 11 VAL HA 1 15 GLN H 3.380 . 4.960 3.861 3.717 4.139 . 0 0 "[ . 1 . 2]" 1
105 1 11 VAL HA 1 73 LEU QD 2.920 . 4.040 2.756 2.101 3.638 . 0 0 "[ . 1 . 2]" 1
106 1 11 VAL HB 1 12 ALA H 2.830 . 3.870 2.643 2.617 2.684 . 0 0 "[ . 1 . 2]" 1
107 1 11 VAL QG 1 12 ALA H 3.010 . 3.560 3.196 3.177 3.232 . 0 0 "[ . 1 . 2]" 1
108 1 11 VAL QG 1 12 ALA HA 3.230 . 4.670 3.241 3.206 3.310 . 0 0 "[ . 1 . 2]" 1
109 1 12 ALA H 1 12 ALA MB 2.460 . 3.120 2.271 2.266 2.278 . 0 0 "[ . 1 . 2]" 1
110 1 12 ALA HA 1 13 ALA HA 3.520 . 5.240 4.758 4.742 4.772 . 0 0 "[ . 1 . 2]" 1
111 1 12 ALA HA 1 13 ALA MB 3.440 . 5.080 5.103 5.091 5.113 0.033 7 0 "[ . 1 . 2]" 1
112 1 12 ALA HA 1 15 GLN H 2.910 . 4.020 3.384 3.286 3.564 . 0 0 "[ . 1 . 2]" 1
113 1 12 ALA HA 1 15 GLN QB 3.100 . 4.410 2.585 2.357 3.970 . 0 0 "[ . 1 . 2]" 1
114 1 12 ALA HA 1 15 GLN QE 3.150 . 4.500 4.126 2.172 4.633 0.133 20 0 "[ . 1 . 2]" 1
115 1 12 ALA HA 1 15 GLN QG 3.100 . 4.410 3.988 2.021 4.471 0.061 18 0 "[ . 1 . 2]" 1
116 1 12 ALA HA 1 16 ALA H 3.380 . 4.960 3.951 3.761 4.352 . 0 0 "[ . 1 . 2]" 1
117 1 12 ALA HA 1 31 TYR QE 3.420 . 5.040 4.928 4.693 5.068 0.028 17 0 "[ . 1 . 2]" 1
118 1 12 ALA MB 1 13 ALA H 2.630 . 3.460 2.573 2.534 2.610 . 0 0 "[ . 1 . 2]" 1
119 1 12 ALA MB 1 13 ALA HA 3.050 . 4.300 3.741 3.716 3.774 . 0 0 "[ . 1 . 2]" 1
120 1 12 ALA MB 1 15 GLN QE 3.570 . 5.340 4.824 3.493 5.353 0.013 20 0 "[ . 1 . 2]" 1
121 1 12 ALA MB 1 16 ALA H 3.650 . 5.500 4.439 4.308 4.678 . 0 0 "[ . 1 . 2]" 1
122 1 12 ALA MB 1 31 TYR QE 2.650 . 3.500 2.539 2.211 2.746 . 0 0 "[ . 1 . 2]" 1
123 1 12 ALA MB 1 32 ILE HA 3.650 . 5.500 5.396 5.294 5.483 . 0 0 "[ . 1 . 2]" 1
124 1 12 ALA MB 1 32 ILE MG 3.650 . 5.500 5.584 5.529 5.661 0.161 6 0 "[ . 1 . 2]" 1
125 1 12 ALA MB 1 36 TYR QD 3.320 . 4.840 4.913 4.853 4.980 0.140 8 0 "[ . 1 . 2]" 1
126 1 12 ALA MB 1 36 TYR QE 2.660 . 3.520 3.103 2.965 3.229 . 0 0 "[ . 1 . 2]" 1
127 1 13 ALA H 1 13 ALA MB 2.540 . 3.280 2.240 2.170 2.265 . 0 0 "[ . 1 . 2]" 1
128 1 13 ALA H 1 28 ILE HA 3.650 . 5.500 5.317 5.193 5.415 . 0 0 "[ . 1 . 2]" 1
129 1 13 ALA H 1 31 TYR QE 3.170 . 4.540 3.954 3.680 4.132 . 0 0 "[ . 1 . 2]" 1
130 1 13 ALA HA 1 16 ALA H 2.960 . 4.130 3.379 3.123 3.483 . 0 0 "[ . 1 . 2]" 1
131 1 13 ALA HA 1 16 ALA HA 3.650 . 5.500 5.326 4.904 5.496 . 0 0 "[ . 1 . 2]" 1
132 1 13 ALA HA 1 16 ALA MB 2.660 . 3.520 2.680 2.379 2.914 . 0 0 "[ . 1 . 2]" 1
133 1 13 ALA HA 1 17 GLU H 3.260 . 4.720 4.457 4.258 4.771 0.051 7 0 "[ . 1 . 2]" 1
134 1 13 ALA HA 1 28 ILE HA 3.250 . 4.700 4.429 4.196 4.590 . 0 0 "[ . 1 . 2]" 1
135 1 13 ALA HA 1 28 ILE MG 3.650 . 5.500 4.798 4.603 4.956 . 0 0 "[ . 1 . 2]" 1
136 1 13 ALA HA 1 31 TYR H 3.650 . 5.500 5.559 5.458 5.613 0.113 19 0 "[ . 1 . 2]" 1
137 1 13 ALA HA 1 31 TYR QB 3.530 . 5.260 2.997 2.903 3.060 . 0 0 "[ . 1 . 2]" 1
138 1 13 ALA HA 1 31 TYR QD 2.750 . 3.700 2.726 2.589 2.900 . 0 0 "[ . 1 . 2]" 1
139 1 13 ALA HA 1 31 TYR QE 2.960 . 4.120 3.411 3.307 3.587 . 0 0 "[ . 1 . 2]" 1
140 1 13 ALA MB 1 14 ILE H 2.770 . 3.730 2.560 2.496 2.707 . 0 0 "[ . 1 . 2]" 1
141 1 13 ALA MB 1 14 ILE HA 3.250 . 4.710 3.716 3.685 3.732 . 0 0 "[ . 1 . 2]" 1
142 1 13 ALA MB 1 14 ILE MD 3.190 . 4.580 3.917 3.076 4.249 . 0 0 "[ . 1 . 2]" 1
143 1 13 ALA MB 1 28 ILE HA 2.620 . 3.440 1.997 1.925 2.055 . 0 0 "[ . 1 . 2]" 1
144 1 13 ALA MB 1 28 ILE MD 3.050 . 4.300 3.806 3.528 3.977 . 0 0 "[ . 1 . 2]" 1
145 1 13 ALA MB 1 28 ILE QG 2.930 . 4.060 2.580 2.267 2.787 . 0 0 "[ . 1 . 2]" 1
146 1 13 ALA MB 1 28 ILE MG 2.710 . 3.620 2.119 1.987 2.217 . 0 0 "[ . 1 . 2]" 1
147 1 13 ALA MB 1 31 TYR H 2.990 . 4.180 3.805 3.665 3.978 . 0 0 "[ . 1 . 2]" 1
148 1 13 ALA MB 1 31 TYR HA 3.380 . 4.960 4.774 4.663 4.993 0.033 11 0 "[ . 1 . 2]" 1
149 1 13 ALA MB 1 31 TYR QB 2.850 . 3.910 2.081 1.979 2.251 . 0 0 "[ . 1 . 2]" 1
150 1 13 ALA MB 1 31 TYR QD 2.630 . 3.460 2.290 2.165 2.505 . 0 0 "[ . 1 . 2]" 1
151 1 13 ALA MB 1 31 TYR QE 2.870 . 3.930 3.792 3.705 3.890 . 0 0 "[ . 1 . 2]" 1
152 1 13 ALA MB 1 32 ILE H 3.100 . 4.400 3.345 3.212 3.586 . 0 0 "[ . 1 . 2]" 1
153 1 13 ALA MB 1 32 ILE HA 3.460 . 5.120 4.202 4.019 4.555 . 0 0 "[ . 1 . 2]" 1
154 1 14 ILE H 1 14 ILE HB 2.600 . 3.400 2.465 2.351 2.663 . 0 0 "[ . 1 . 2]" 1
155 1 14 ILE H 1 14 ILE MD 2.870 . 3.940 3.440 3.032 3.579 . 0 0 "[ . 1 . 2]" 1
156 1 14 ILE H 1 14 ILE QG 2.960 . 4.130 2.238 2.101 2.323 . 0 0 "[ . 1 . 2]" 1
157 1 14 ILE H 1 14 ILE MG 2.810 . 3.820 3.763 3.734 3.797 . 0 0 "[ . 1 . 2]" 1
158 1 14 ILE H 1 15 GLN H 2.750 . 3.690 2.613 2.547 2.719 . 0 0 "[ . 1 . 2]" 1
159 1 14 ILE H 1 28 ILE HA 3.650 . 5.500 4.971 4.753 5.428 . 0 0 "[ . 1 . 2]" 1
160 1 14 ILE H 1 28 ILE MG 3.240 . 4.680 4.274 4.009 4.634 . 0 0 "[ . 1 . 2]" 1
161 1 14 ILE HA 1 14 ILE MD 2.930 . 4.060 3.289 1.960 3.860 . 0 0 "[ . 1 . 2]" 1
162 1 14 ILE HA 1 14 ILE QG 2.620 . 3.440 2.559 2.293 3.136 . 0 0 "[ . 1 . 2]" 1
163 1 14 ILE HA 1 14 ILE MG 2.600 . 3.410 2.344 2.172 2.442 . 0 0 "[ . 1 . 2]" 1
164 1 14 ILE HA 1 17 GLU H 3.190 . 4.590 3.354 3.186 3.663 . 0 0 "[ . 1 . 2]" 1
165 1 14 ILE HA 1 17 GLU QB 3.070 . 4.340 3.664 3.095 4.312 . 0 0 "[ . 1 . 2]" 1
166 1 14 ILE HB 1 14 ILE MD 2.580 . 3.360 2.593 2.278 3.308 . 0 0 "[ . 1 . 2]" 1
167 1 14 ILE HB 1 15 GLN H 2.750 . 3.690 2.733 2.528 2.851 . 0 0 "[ . 1 . 2]" 1
168 1 14 ILE MD 1 14 ILE MG 2.500 . 3.200 2.241 2.203 2.284 . 0 0 "[ . 1 . 2]" 1
169 1 14 ILE MD 1 28 ILE HB 3.350 . 4.900 4.926 4.483 5.079 0.179 6 0 "[ . 1 . 2]" 1
170 1 14 ILE MD 1 59 LEU HG 3.280 . 4.760 4.131 2.549 4.826 0.066 9 0 "[ . 1 . 2]" 1
171 1 14 ILE MD 1 71 PHE H 3.170 . 4.540 4.365 3.803 4.582 0.042 10 0 "[ . 1 . 2]" 1
172 1 14 ILE MD 1 71 PHE HA 3.210 . 4.620 4.785 4.715 4.860 0.240 4 0 "[ . 1 . 2]" 1
173 1 14 ILE MD 1 71 PHE QB 2.880 . 3.960 2.386 2.274 2.587 . 0 0 "[ . 1 . 2]" 1
174 1 14 ILE MG 1 15 GLN H 2.800 . 3.800 3.473 3.340 3.667 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLN H 1 15 GLN QB 2.590 . 3.380 2.314 2.206 2.512 . 0 0 "[ . 1 . 2]" 1
176 1 15 GLN H 1 15 GLN QG 2.760 . 3.710 3.271 2.321 3.974 0.264 16 0 "[ . 1 . 2]" 1
177 1 15 GLN H 1 16 ALA H 2.690 . 3.580 2.651 2.567 2.687 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLN H 1 16 ALA MB 3.060 . 4.320 4.375 4.324 4.405 0.085 7 0 "[ . 1 . 2]" 1
179 1 15 GLN HA 1 15 GLN QG 2.660 . 3.520 2.491 2.404 3.384 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLN HA 1 17 GLU H 3.210 . 4.620 4.262 4.031 4.344 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLN HA 1 18 LYS H 3.020 . 4.240 4.322 4.253 4.409 0.169 19 0 "[ . 1 . 2]" 1
182 1 15 GLN QB 1 16 ALA H 2.890 . 3.980 2.757 2.557 3.802 . 0 0 "[ . 1 . 2]" 1
183 1 16 ALA H 1 16 ALA MB 2.480 . 3.160 2.266 2.254 2.287 . 0 0 "[ . 1 . 2]" 1
184 1 16 ALA H 1 17 GLU H 2.660 . 3.520 2.735 2.648 2.792 . 0 0 "[ . 1 . 2]" 1
185 1 16 ALA HA 1 31 TYR QE 3.580 . 5.370 4.994 4.535 5.245 . 0 0 "[ . 1 . 2]" 1
186 1 16 ALA MB 1 17 GLU H 2.710 . 3.620 2.606 2.588 2.661 . 0 0 "[ . 1 . 2]" 1
187 1 16 ALA MB 1 31 TYR QD 3.030 . 4.260 3.056 2.698 3.305 . 0 0 "[ . 1 . 2]" 1
188 1 16 ALA MB 1 31 TYR QE 2.440 . 3.080 2.773 2.593 2.923 . 0 0 "[ . 1 . 2]" 1
189 1 17 GLU H 1 17 GLU QB 2.430 . 3.060 2.472 2.308 2.641 . 0 0 "[ . 1 . 2]" 1
190 1 17 GLU H 1 17 GLU QG 3.310 . 4.240 3.574 2.907 4.144 . 0 0 "[ . 1 . 2]" 1
191 1 17 GLU H 1 18 LYS H 2.740 . 3.680 3.504 3.423 3.633 . 0 0 "[ . 1 . 2]" 1
192 1 17 GLU HA 1 17 GLU QG 2.860 . 3.920 2.525 2.321 2.956 . 0 0 "[ . 1 . 2]" 1
193 1 17 GLU QB 1 18 LYS H 2.910 . 4.020 4.015 3.891 4.112 0.092 5 0 "[ . 1 . 2]" 1
194 1 17 GLU QB 1 19 ASN H 2.970 . 4.140 3.423 2.940 4.053 . 0 0 "[ . 1 . 2]" 1
195 1 17 GLU QG 1 19 ASN H 3.370 . 4.750 4.007 2.519 5.058 0.308 8 0 "[ . 1 . 2]" 1
196 1 18 LYS H 1 18 LYS QB 2.930 . 3.500 2.439 2.296 2.828 . 0 0 "[ . 1 . 2]" 1
197 1 18 LYS H 1 18 LYS QG 3.650 . 5.500 3.266 1.812 4.026 . 0 0 "[ . 1 . 2]" 1
198 1 18 LYS H 1 19 ASN H 2.930 . 4.060 3.521 3.312 3.584 . 0 0 "[ . 1 . 2]" 1
199 1 18 LYS HA 1 18 LYS QD 3.200 . 4.460 4.138 3.983 4.546 0.086 8 0 "[ . 1 . 2]" 1
200 1 18 LYS HA 1 18 LYS QG 2.960 . 3.540 2.618 2.291 3.380 . 0 0 "[ . 1 . 2]" 1
201 1 19 ASN H 1 19 ASN QB 3.000 . 3.500 2.276 2.198 2.380 . 0 0 "[ . 1 . 2]" 1
202 1 19 ASN QB 1 19 ASN QD 2.500 . 3.200 2.212 2.145 2.359 . 0 0 "[ . 1 . 2]" 1
203 1 19 ASN QB 1 22 GLY H 3.300 . 4.340 2.595 2.252 2.954 . 0 0 "[ . 1 . 2]" 1
204 1 19 ASN QD 1 21 ALA MB 3.270 . 4.740 3.462 2.174 4.764 0.024 4 0 "[ . 1 . 2]" 1
205 1 20 ARG HA 1 20 ARG QD 3.100 . 4.280 3.953 2.153 4.507 0.227 3 0 "[ . 1 . 2]" 1
206 1 20 ARG HA 1 20 ARG QG 2.600 . 3.410 2.560 2.395 3.368 . 0 0 "[ . 1 . 2]" 1
207 1 20 ARG HA 1 22 GLY H 3.170 . 4.540 3.613 3.439 3.884 . 0 0 "[ . 1 . 2]" 1
208 1 20 ARG QB 1 20 ARG QD 2.480 . 3.160 2.278 2.198 2.382 . 0 0 "[ . 1 . 2]" 1
209 1 21 ALA H 1 21 ALA MB 2.650 . 3.500 2.294 2.277 2.330 . 0 0 "[ . 1 . 2]" 1
210 1 21 ALA H 1 22 GLY H 2.790 . 3.780 2.548 2.429 2.596 . 0 0 "[ . 1 . 2]" 1
211 1 21 ALA HA 1 72 ARG QD 3.360 . 4.920 4.879 4.520 4.993 0.073 2 0 "[ . 1 . 2]" 1
212 1 21 ALA MB 1 22 GLY H 2.850 . 3.890 3.234 2.959 3.484 . 0 0 "[ . 1 . 2]" 1
213 1 21 ALA MB 1 70 SER QB 3.650 . 5.500 4.113 3.509 4.482 . 0 0 "[ . 1 . 2]" 1
214 1 22 GLY QA 1 70 SER QB 2.930 . 4.060 2.639 2.220 3.376 . 0 0 "[ . 1 . 2]" 1
215 1 23 SER H 1 70 SER QB 2.920 . 4.040 3.710 3.517 4.043 0.003 11 0 "[ . 1 . 2]" 1
216 1 23 SER HA 1 24 SER H 2.620 . 3.440 2.249 2.227 2.297 . 0 0 "[ . 1 . 2]" 1
217 1 23 SER QB 1 28 ILE MD 2.870 . 3.930 3.086 2.736 3.764 . 0 0 "[ . 1 . 2]" 1
218 1 25 ARG H 1 25 ARG QB 2.650 . 3.500 2.236 2.206 2.249 . 0 0 "[ . 1 . 2]" 1
219 1 25 ARG H 1 25 ARG QG 3.090 . 4.380 3.980 3.971 4.014 . 0 0 "[ . 1 . 2]" 1
220 1 25 ARG H 1 26 GLN H 2.860 . 3.920 2.681 2.607 2.760 . 0 0 "[ . 1 . 2]" 1
221 1 25 ARG HA 1 25 ARG QD 3.220 . 4.640 3.971 2.298 4.313 . 0 0 "[ . 1 . 2]" 1
222 1 25 ARG HA 1 25 ARG QG 2.730 . 3.660 2.460 2.313 3.027 . 0 0 "[ . 1 . 2]" 1
223 1 25 ARG HA 1 28 ILE H 3.050 . 4.300 3.333 3.255 3.467 . 0 0 "[ . 1 . 2]" 1
224 1 25 ARG HA 1 28 ILE HB 2.960 . 4.120 3.046 2.872 3.331 . 0 0 "[ . 1 . 2]" 1
225 1 25 ARG HA 1 28 ILE MD 2.710 . 3.610 2.366 2.216 2.559 . 0 0 "[ . 1 . 2]" 1
226 1 25 ARG HA 1 28 ILE MG 3.290 . 4.790 4.444 4.294 4.679 . 0 0 "[ . 1 . 2]" 1
227 1 25 ARG HA 1 50 ILE MD 3.020 . 4.240 3.512 3.249 3.767 . 0 0 "[ . 1 . 2]" 1
228 1 25 ARG QB 1 25 ARG QD 2.500 . 3.200 2.381 2.192 2.529 . 0 0 "[ . 1 . 2]" 1
229 1 25 ARG QB 1 26 GLN H 2.820 . 3.840 2.561 2.479 2.621 . 0 0 "[ . 1 . 2]" 1
230 1 25 ARG QB 1 28 ILE MD 3.250 . 4.710 4.003 3.847 4.216 . 0 0 "[ . 1 . 2]" 1
231 1 25 ARG QB 1 68 SER QB 3.030 . 4.270 4.502 4.435 4.542 0.272 8 0 "[ . 1 . 2]" 1
232 1 25 ARG QG 1 50 ILE MD 3.250 . 4.710 2.698 2.158 3.899 . 0 0 "[ . 1 . 2]" 1
233 1 26 GLN H 1 26 GLN QB 2.960 . 3.380 2.378 2.265 2.557 . 0 0 "[ . 1 . 2]" 1
234 1 26 GLN H 1 27 SER H 2.920 . 4.040 2.646 2.604 2.707 . 0 0 "[ . 1 . 2]" 1
235 1 26 GLN HA 1 26 GLN QG 2.880 . 3.960 2.545 2.340 3.480 . 0 0 "[ . 1 . 2]" 1
236 1 26 GLN HA 1 29 GLN H 2.980 . 4.160 3.509 3.325 3.630 . 0 0 "[ . 1 . 2]" 1
237 1 26 GLN HA 1 29 GLN QE 3.570 . 5.340 4.214 3.055 4.876 . 0 0 "[ . 1 . 2]" 1
238 1 26 GLN HA 1 29 GLN QG 2.940 . 3.580 2.245 2.077 2.430 . 0 0 "[ . 1 . 2]" 1
239 1 26 GLN QB 1 27 SER H 2.990 . 4.180 2.729 2.626 3.733 . 0 0 "[ . 1 . 2]" 1
240 1 26 GLN QE 1 26 GLN QG 2.510 . 3.220 2.243 2.138 2.505 . 0 0 "[ . 1 . 2]" 1
241 1 26 GLN QG 1 27 SER H 3.100 . 4.410 4.096 2.357 4.550 0.140 11 0 "[ . 1 . 2]" 1
242 1 27 SER H 1 27 SER QB 2.600 . 3.400 2.433 2.305 2.547 . 0 0 "[ . 1 . 2]" 1
243 1 27 SER HA 1 30 LYS H 2.910 . 4.020 3.295 3.178 3.370 . 0 0 "[ . 1 . 2]" 1
244 1 27 SER HA 1 30 LYS QB 2.600 . 3.410 2.280 2.120 2.485 . 0 0 "[ . 1 . 2]" 1
245 1 27 SER QB 1 28 ILE H 2.920 . 4.040 2.780 2.698 3.697 . 0 0 "[ . 1 . 2]" 1
246 1 28 ILE H 1 28 ILE HB 2.560 . 3.330 2.407 2.391 2.430 . 0 0 "[ . 1 . 2]" 1
247 1 28 ILE H 1 28 ILE MD 2.890 . 3.980 3.513 3.479 3.535 . 0 0 "[ . 1 . 2]" 1
248 1 28 ILE H 1 28 ILE QG 2.840 . 3.880 2.252 2.229 2.294 . 0 0 "[ . 1 . 2]" 1
249 1 28 ILE H 1 28 ILE MG 2.940 . 4.080 3.760 3.748 3.767 . 0 0 "[ . 1 . 2]" 1
250 1 28 ILE H 1 29 GLN H 2.830 . 3.870 2.848 2.790 2.873 . 0 0 "[ . 1 . 2]" 1
251 1 28 ILE HA 1 28 ILE MD 2.830 . 3.870 3.851 3.848 3.857 . 0 0 "[ . 1 . 2]" 1
252 1 28 ILE HA 1 28 ILE QG 2.620 . 3.450 2.356 2.348 2.367 . 0 0 "[ . 1 . 2]" 1
253 1 28 ILE HA 1 28 ILE MG 2.650 . 3.500 2.457 2.431 2.483 . 0 0 "[ . 1 . 2]" 1
254 1 28 ILE HA 1 30 LYS H 3.420 . 5.040 4.489 4.437 4.604 . 0 0 "[ . 1 . 2]" 1
255 1 28 ILE HA 1 31 TYR H 3.000 . 4.210 3.694 3.600 3.752 . 0 0 "[ . 1 . 2]" 1
256 1 28 ILE HA 1 31 TYR QB 2.950 . 4.100 3.104 2.912 3.231 . 0 0 "[ . 1 . 2]" 1
257 1 28 ILE HA 1 31 TYR QD 3.340 . 4.880 4.712 4.443 4.871 . 0 0 "[ . 1 . 2]" 1
258 1 28 ILE HA 1 32 ILE H 3.420 . 5.040 4.234 4.118 4.323 . 0 0 "[ . 1 . 2]" 1
259 1 28 ILE HB 1 28 ILE MD 2.470 . 3.140 2.327 2.301 2.352 . 0 0 "[ . 1 . 2]" 1
260 1 28 ILE HB 1 29 GLN H 2.750 . 3.690 2.577 2.545 2.619 . 0 0 "[ . 1 . 2]" 1
261 1 28 ILE HB 1 29 GLN HA 3.540 . 5.280 4.394 4.347 4.424 . 0 0 "[ . 1 . 2]" 1
262 1 28 ILE HB 1 50 ILE MD 2.980 . 4.160 2.694 2.391 4.046 . 0 0 "[ . 1 . 2]" 1
263 1 28 ILE MD 1 28 ILE MG 2.400 . 3.000 2.005 1.959 2.045 . 0 0 "[ . 1 . 2]" 1
264 1 28 ILE MD 1 50 ILE HB 3.220 . 4.640 4.430 3.691 4.650 0.010 19 0 "[ . 1 . 2]" 1
265 1 28 ILE MD 1 50 ILE MD 2.670 . 3.540 2.175 1.956 3.038 . 0 0 "[ . 1 . 2]" 1
266 1 28 ILE MD 1 71 PHE QB 3.170 . 3.910 2.485 2.301 2.651 . 0 0 "[ . 1 . 2]" 1
267 1 28 ILE MD 1 71 PHE QD 2.880 . 3.960 2.026 1.958 2.087 . 0 0 "[ . 1 . 2]" 1
268 1 28 ILE QG 1 28 ILE MG 2.310 . 2.820 2.378 2.372 2.382 . 0 0 "[ . 1 . 2]" 1
269 1 28 ILE MG 1 29 GLN H 2.950 . 4.100 3.133 3.098 3.175 . 0 0 "[ . 1 . 2]" 1
270 1 28 ILE MG 1 29 GLN HA 3.030 . 4.260 3.058 3.033 3.088 . 0 0 "[ . 1 . 2]" 1
271 1 28 ILE MG 1 29 GLN QB 3.650 . 5.100 3.667 3.614 3.763 . 0 0 "[ . 1 . 2]" 1
272 1 28 ILE MG 1 29 GLN QG 3.570 . 5.340 4.516 4.272 4.706 . 0 0 "[ . 1 . 2]" 1
273 1 28 ILE MG 1 50 ILE HB 3.150 . 4.500 4.745 4.583 4.813 0.313 14 0 "[ . 1 . 2]" 1
274 1 28 ILE MG 1 50 ILE MD 2.990 . 4.180 2.118 1.900 3.801 . 0 0 "[ . 1 . 2]" 1
275 1 29 GLN H 1 29 GLN QB 2.830 . 3.850 2.655 2.538 2.782 . 0 0 "[ . 1 . 2]" 1
276 1 29 GLN H 1 29 GLN QG 2.620 . 3.440 2.111 1.921 2.257 . 0 0 "[ . 1 . 2]" 1
277 1 29 GLN H 1 30 LYS H 2.820 . 3.840 2.585 2.546 2.633 . 0 0 "[ . 1 . 2]" 1
278 1 29 GLN H 1 46 ILE MG 3.070 . 4.340 4.290 3.857 4.413 0.073 3 0 "[ . 1 . 2]" 1
279 1 29 GLN HA 1 32 ILE H 3.050 . 4.300 3.327 3.259 3.400 . 0 0 "[ . 1 . 2]" 1
280 1 29 GLN HA 1 32 ILE HB 3.060 . 4.330 2.636 2.530 2.730 . 0 0 "[ . 1 . 2]" 1
281 1 29 GLN HA 1 32 ILE MD 3.050 . 4.300 2.818 2.636 2.985 . 0 0 "[ . 1 . 2]" 1
282 1 29 GLN HA 1 33 LYS H 3.200 . 4.600 3.758 3.688 3.840 . 0 0 "[ . 1 . 2]" 1
283 1 29 GLN HA 1 46 ILE HB 3.650 . 5.500 4.761 4.493 5.068 . 0 0 "[ . 1 . 2]" 1
284 1 29 GLN HA 1 46 ILE MD 2.590 . 3.380 3.091 2.555 3.396 0.016 20 0 "[ . 1 . 2]" 1
285 1 29 GLN HA 1 46 ILE MG 2.790 . 3.780 3.010 2.741 3.219 . 0 0 "[ . 1 . 2]" 1
286 1 29 GLN QB 1 29 GLN QE 3.130 . 3.910 2.197 1.901 2.620 . 0 0 "[ . 1 . 2]" 1
287 1 29 GLN QB 1 30 LYS H 3.170 . 4.170 3.634 3.556 3.675 . 0 0 "[ . 1 . 2]" 1
288 1 29 GLN QB 1 30 LYS HA 3.260 . 4.720 4.310 4.128 4.459 . 0 0 "[ . 1 . 2]" 1
289 1 29 GLN QB 1 32 ILE HB 3.420 . 5.040 4.092 3.939 4.189 . 0 0 "[ . 1 . 2]" 1
290 1 29 GLN QB 1 46 ILE MD 3.420 . 5.040 3.018 2.302 3.334 . 0 0 "[ . 1 . 2]" 1
291 1 29 GLN QB 1 46 ILE MG 3.010 . 4.220 2.976 2.540 3.186 . 0 0 "[ . 1 . 2]" 1
292 1 29 GLN QE 1 43 ASP HA 3.150 . 4.500 4.477 3.877 4.654 0.154 18 0 "[ . 1 . 2]" 1
293 1 29 GLN QE 1 46 ILE HB 3.360 . 4.920 4.644 4.210 4.960 0.040 4 0 "[ . 1 . 2]" 1
294 1 29 GLN QE 1 46 ILE MD 3.190 . 4.580 4.447 4.107 4.622 0.042 13 0 "[ . 1 . 2]" 1
295 1 29 GLN QE 1 47 LYS QD 3.040 . 4.280 3.444 2.426 4.350 0.070 9 0 "[ . 1 . 2]" 1
296 1 29 GLN QE 1 47 LYS QG 3.270 . 4.740 3.210 2.540 4.836 0.096 2 0 "[ . 1 . 2]" 1
297 1 29 GLN QG 1 30 LYS H 2.800 . 3.800 2.355 2.253 2.447 . 0 0 "[ . 1 . 2]" 1
298 1 29 GLN QG 1 30 LYS HA 3.080 . 4.360 3.349 3.175 3.606 . 0 0 "[ . 1 . 2]" 1
299 1 29 GLN QG 1 31 TYR H 3.570 . 5.340 4.687 4.620 4.750 . 0 0 "[ . 1 . 2]" 1
300 1 30 LYS H 1 30 LYS QB 2.460 . 3.120 2.328 2.271 2.417 . 0 0 "[ . 1 . 2]" 1
301 1 30 LYS H 1 31 TYR H 2.770 . 3.740 2.732 2.668 2.765 . 0 0 "[ . 1 . 2]" 1
302 1 30 LYS QB 1 31 TYR H 2.650 . 3.500 2.593 2.503 2.704 . 0 0 "[ . 1 . 2]" 1
303 1 31 TYR H 1 31 TYR QB 2.790 . 3.780 2.287 2.271 2.302 . 0 0 "[ . 1 . 2]" 1
304 1 31 TYR H 1 31 TYR QD 3.020 . 4.250 4.188 4.175 4.199 . 0 0 "[ . 1 . 2]" 1
305 1 31 TYR H 1 32 ILE H 2.790 . 3.780 2.748 2.712 2.776 . 0 0 "[ . 1 . 2]" 1
306 1 31 TYR HA 1 31 TYR QD 2.740 . 3.680 2.896 2.840 2.926 . 0 0 "[ . 1 . 2]" 1
307 1 31 TYR HA 1 35 HIS H 3.000 . 4.210 3.933 3.801 4.233 0.023 3 0 "[ . 1 . 2]" 1
308 1 31 TYR HA 1 35 HIS HD2 3.110 . 4.420 2.546 2.341 2.689 . 0 0 "[ . 1 . 2]" 1
309 1 31 TYR QB 1 32 ILE H 3.290 . 3.850 2.488 2.467 2.509 . 0 0 "[ . 1 . 2]" 1
310 1 31 TYR QB 1 32 ILE HA 3.360 . 4.920 4.060 4.036 4.090 . 0 0 "[ . 1 . 2]" 1
311 1 31 TYR QD 1 32 ILE H 3.090 . 4.380 3.162 3.098 3.199 . 0 0 "[ . 1 . 2]" 1
312 1 31 TYR QD 1 32 ILE HA 2.880 . 3.960 2.963 2.903 3.061 . 0 0 "[ . 1 . 2]" 1
313 1 31 TYR QD 1 32 ILE HB 3.240 . 4.680 4.669 4.565 4.704 0.024 16 0 "[ . 1 . 2]" 1
314 1 31 TYR QD 1 32 ILE MD 3.150 . 4.500 4.177 4.013 4.250 . 0 0 "[ . 1 . 2]" 1
315 1 31 TYR QD 1 32 ILE QG 2.980 . 4.160 2.551 2.395 2.618 . 0 0 "[ . 1 . 2]" 1
316 1 31 TYR QD 1 35 HIS HE1 3.320 . 4.840 4.918 4.876 4.950 0.110 6 0 "[ . 1 . 2]" 1
317 1 31 TYR QE 1 32 ILE HA 3.250 . 4.700 4.127 4.081 4.197 . 0 0 "[ . 1 . 2]" 1
318 1 31 TYR QE 1 32 ILE QG 3.310 . 4.820 3.973 3.764 4.098 . 0 0 "[ . 1 . 2]" 1
319 1 31 TYR QE 1 35 HIS QB 3.120 . 3.870 3.477 3.362 3.615 . 0 0 "[ . 1 . 2]" 1
320 1 31 TYR QE 1 35 HIS HE1 3.090 . 4.380 3.600 3.442 3.800 . 0 0 "[ . 1 . 2]" 1
321 1 31 TYR QE 1 36 TYR QD 2.960 . 4.120 4.186 4.166 4.212 0.092 3 0 "[ . 1 . 2]" 1
322 1 31 TYR QE 1 36 TYR QE 2.430 . 3.060 2.522 2.334 2.708 . 0 0 "[ . 1 . 2]" 1
323 1 32 ILE H 1 32 ILE HB 2.730 . 3.650 2.408 2.385 2.422 . 0 0 "[ . 1 . 2]" 1
324 1 32 ILE H 1 32 ILE MD 2.880 . 3.960 3.528 3.510 3.549 . 0 0 "[ . 1 . 2]" 1
325 1 32 ILE H 1 32 ILE MG 2.880 . 3.960 3.748 3.738 3.754 . 0 0 "[ . 1 . 2]" 1
326 1 32 ILE H 1 33 LYS H 2.910 . 4.020 2.784 2.711 2.843 . 0 0 "[ . 1 . 2]" 1
327 1 32 ILE H 1 36 TYR QD 3.520 . 5.240 4.833 4.761 4.937 . 0 0 "[ . 1 . 2]" 1
328 1 32 ILE HA 1 32 ILE MD 2.900 . 4.000 3.834 3.823 3.840 . 0 0 "[ . 1 . 2]" 1
329 1 32 ILE HA 1 32 ILE MG 2.680 . 3.560 2.401 2.392 2.418 . 0 0 "[ . 1 . 2]" 1
330 1 32 ILE HA 1 35 HIS H 3.250 . 4.700 3.477 3.335 3.553 . 0 0 "[ . 1 . 2]" 1
331 1 32 ILE HA 1 35 HIS QB 2.820 . 3.840 3.377 3.017 3.495 . 0 0 "[ . 1 . 2]" 1
332 1 32 ILE HA 1 36 TYR H 3.140 . 4.480 3.526 3.409 3.637 . 0 0 "[ . 1 . 2]" 1
333 1 32 ILE HA 1 36 TYR QB 3.430 . 5.060 3.450 3.399 3.551 . 0 0 "[ . 1 . 2]" 1
334 1 32 ILE HA 1 36 TYR QD 2.310 . 2.830 2.126 2.038 2.220 . 0 0 "[ . 1 . 2]" 1
335 1 32 ILE HA 1 36 TYR QE 3.220 . 4.640 3.590 3.464 3.740 . 0 0 "[ . 1 . 2]" 1
336 1 32 ILE HB 1 32 ILE MD 2.790 . 3.780 2.326 2.291 2.373 . 0 0 "[ . 1 . 2]" 1
337 1 32 ILE HB 1 33 LYS H 3.020 . 4.240 2.662 2.615 2.711 . 0 0 "[ . 1 . 2]" 1
338 1 32 ILE MD 1 36 TYR QD 2.940 . 4.090 4.245 4.201 4.268 0.178 18 0 "[ . 1 . 2]" 1
339 1 32 ILE MD 1 36 TYR QE 3.340 . 4.880 4.856 4.790 4.898 0.018 1 0 "[ . 1 . 2]" 1
340 1 32 ILE MG 1 33 LYS H 3.000 . 4.200 3.267 3.226 3.343 . 0 0 "[ . 1 . 2]" 1
341 1 32 ILE MG 1 33 LYS HA 2.940 . 4.090 3.142 3.104 3.182 . 0 0 "[ . 1 . 2]" 1
342 1 32 ILE MG 1 35 HIS QB 3.550 . 5.300 4.673 4.354 4.786 . 0 0 "[ . 1 . 2]" 1
343 1 32 ILE MG 1 36 TYR H 3.170 . 4.540 3.630 3.449 3.710 . 0 0 "[ . 1 . 2]" 1
344 1 32 ILE MG 1 36 TYR QB 3.440 . 4.340 2.081 2.022 2.131 . 0 0 "[ . 1 . 2]" 1
345 1 32 ILE MG 1 36 TYR QD 2.460 . 3.110 2.108 2.070 2.173 . 0 0 "[ . 1 . 2]" 1
346 1 32 ILE MG 1 36 TYR QE 3.170 . 4.550 4.048 3.981 4.123 . 0 0 "[ . 1 . 2]" 1
347 1 32 ILE MG 1 38 VAL HB 3.650 . 5.500 4.044 3.943 4.209 . 0 0 "[ . 1 . 2]" 1
348 1 32 ILE MG 1 38 VAL QG 2.740 . 3.680 1.995 1.910 2.118 . 0 0 "[ . 1 . 2]" 1
349 1 32 ILE MG 1 42 ALA MB 3.360 . 4.920 4.375 3.988 4.585 . 0 0 "[ . 1 . 2]" 1
350 1 33 LYS H 1 33 LYS QB 2.730 . 3.660 2.309 2.260 2.479 . 0 0 "[ . 1 . 2]" 1
351 1 33 LYS H 1 33 LYS QG 3.150 . 4.500 3.507 2.322 3.997 . 0 0 "[ . 1 . 2]" 1
352 1 33 LYS H 1 34 SER H 2.770 . 3.740 2.715 2.653 2.788 . 0 0 "[ . 1 . 2]" 1
353 1 33 LYS H 1 34 SER HA 3.650 . 5.500 5.235 5.131 5.283 . 0 0 "[ . 1 . 2]" 1
354 1 33 LYS H 1 38 VAL QG 3.120 . 4.440 3.711 3.496 3.889 . 0 0 "[ . 1 . 2]" 1
355 1 33 LYS HA 1 33 LYS QG 2.560 . 3.320 2.484 2.400 3.355 0.035 11 0 "[ . 1 . 2]" 1
356 1 33 LYS HA 1 38 VAL QG 2.570 . 3.340 2.210 2.083 2.457 . 0 0 "[ . 1 . 2]" 1
357 1 33 LYS QB 1 34 SER H 3.020 . 4.250 2.712 2.606 3.841 . 0 0 "[ . 1 . 2]" 1
358 1 33 LYS QG 1 38 VAL QG 2.910 . 4.020 2.347 1.938 3.821 . 0 0 "[ . 1 . 2]" 1
359 1 34 SER H 1 34 SER QB 2.920 . 4.040 2.442 2.293 2.705 . 0 0 "[ . 1 . 2]" 1
360 1 34 SER HA 1 36 TYR H 3.650 . 5.500 4.497 4.337 4.572 . 0 0 "[ . 1 . 2]" 1
361 1 34 SER QB 1 35 HIS H 3.380 . 4.960 2.904 2.699 3.890 . 0 0 "[ . 1 . 2]" 1
362 1 35 HIS H 1 35 HIS QB 2.940 . 3.540 2.409 2.377 2.471 . 0 0 "[ . 1 . 2]" 1
363 1 35 HIS H 1 35 HIS HD2 3.130 . 4.460 2.841 2.698 3.282 . 0 0 "[ . 1 . 2]" 1
364 1 35 HIS H 1 36 TYR H 2.600 . 3.410 2.304 2.055 2.383 . 0 0 "[ . 1 . 2]" 1
365 1 35 HIS HA 1 35 HIS HD2 3.050 . 4.300 3.995 3.887 4.086 . 0 0 "[ . 1 . 2]" 1
366 1 35 HIS QB 1 36 TYR H 3.080 . 3.810 3.189 3.051 3.279 . 0 0 "[ . 1 . 2]" 1
367 1 35 HIS QB 1 36 TYR QD 2.880 . 3.960 3.384 3.138 3.491 . 0 0 "[ . 1 . 2]" 1
368 1 35 HIS QB 1 36 TYR QE 3.340 . 4.880 3.537 3.444 3.606 . 0 0 "[ . 1 . 2]" 1
369 1 36 TYR H 1 36 TYR QB 2.970 . 3.600 2.692 2.657 2.733 . 0 0 "[ . 1 . 2]" 1
370 1 36 TYR H 1 36 TYR QD 2.650 . 3.500 3.419 3.264 3.509 0.009 20 0 "[ . 1 . 2]" 1
371 1 36 TYR H 1 38 VAL QG 3.510 . 5.220 3.931 3.817 4.077 . 0 0 "[ . 1 . 2]" 1
372 1 36 TYR HA 1 36 TYR QD 2.560 . 3.320 2.591 2.508 2.734 . 0 0 "[ . 1 . 2]" 1
373 1 36 TYR HA 1 36 TYR QE 3.210 . 4.620 4.574 4.547 4.619 . 0 0 "[ . 1 . 2]" 1
374 1 36 TYR QB 1 37 LYS H 3.400 . 4.340 2.786 2.694 2.899 . 0 0 "[ . 1 . 2]" 1
375 1 36 TYR QD 1 37 LYS H 2.880 . 3.960 3.891 3.847 3.971 0.011 12 0 "[ . 1 . 2]" 1
376 1 36 TYR QD 1 38 VAL QG 3.500 . 5.200 4.071 3.952 4.281 . 0 0 "[ . 1 . 2]" 1
377 1 37 LYS H 1 37 LYS QG 3.350 . 4.910 3.367 2.034 4.062 . 0 0 "[ . 1 . 2]" 1
378 1 37 LYS HA 1 37 LYS QD 3.000 . 4.210 3.911 2.051 4.317 0.107 19 0 "[ . 1 . 2]" 1
379 1 37 LYS HA 1 37 LYS QG 2.960 . 3.500 2.578 2.393 3.381 . 0 0 "[ . 1 . 2]" 1
380 1 37 LYS HA 1 38 VAL H 2.450 . 3.100 2.218 2.208 2.230 . 0 0 "[ . 1 . 2]" 1
381 1 37 LYS HA 1 38 VAL QG 3.010 . 4.220 3.311 3.214 3.346 . 0 0 "[ . 1 . 2]" 1
382 1 37 LYS QB 1 38 VAL H 3.130 . 4.460 3.631 3.033 3.923 . 0 0 "[ . 1 . 2]" 1
383 1 37 LYS QG 1 38 VAL H 3.050 . 4.300 3.467 2.912 4.524 0.224 9 0 "[ . 1 . 2]" 1
384 1 38 VAL H 1 38 VAL QG 2.480 . 3.160 2.035 2.001 2.097 . 0 0 "[ . 1 . 2]" 1
385 1 38 VAL H 1 42 ALA MB 3.650 . 5.500 4.905 4.794 5.006 . 0 0 "[ . 1 . 2]" 1
386 1 38 VAL HA 1 38 VAL QG 2.740 . 3.180 2.221 2.207 2.238 . 0 0 "[ . 1 . 2]" 1
387 1 38 VAL HA 1 39 GLY H 2.540 . 3.270 2.437 2.409 2.472 . 0 0 "[ . 1 . 2]" 1
388 1 38 VAL HA 1 42 ALA MB 3.120 . 4.440 3.227 2.836 3.669 . 0 0 "[ . 1 . 2]" 1
389 1 38 VAL HB 1 39 GLY H 2.810 . 3.830 2.537 2.473 2.608 . 0 0 "[ . 1 . 2]" 1
390 1 38 VAL HB 1 42 ALA MB 2.770 . 3.740 1.932 1.889 2.000 . 0 0 "[ . 1 . 2]" 1
391 1 38 VAL QG 1 39 GLY H 3.170 . 4.500 3.224 3.186 3.263 . 0 0 "[ . 1 . 2]" 1
392 1 38 VAL QG 1 39 GLY QA 3.650 . 4.670 3.626 3.499 3.696 . 0 0 "[ . 1 . 2]" 1
393 1 38 VAL QG 1 42 ALA MB 2.560 . 3.320 2.622 2.364 2.811 . 0 0 "[ . 1 . 2]" 1
394 1 38 VAL QG 1 43 ASP HA 3.600 . 5.410 3.992 3.550 4.687 . 0 0 "[ . 1 . 2]" 1
395 1 39 GLY H 1 42 ALA MB 3.240 . 4.680 1.961 1.762 2.282 0.038 9 0 "[ . 1 . 2]" 1
396 1 40 GLU H 1 40 GLU QG 3.570 . 4.540 3.248 2.166 4.079 . 0 0 "[ . 1 . 2]" 1
397 1 40 GLU HA 1 40 GLU QG 2.990 . 3.660 2.621 2.351 3.405 . 0 0 "[ . 1 . 2]" 1
398 1 40 GLU HA 1 41 ASN HA 3.350 . 4.900 4.723 4.596 4.766 . 0 0 "[ . 1 . 2]" 1
399 1 40 GLU HA 1 42 ALA H 3.230 . 4.670 4.082 3.529 4.338 . 0 0 "[ . 1 . 2]" 1
400 1 42 ALA H 1 42 ALA MB 2.600 . 3.400 2.274 2.259 2.292 . 0 0 "[ . 1 . 2]" 1
401 1 42 ALA H 1 43 ASP H 2.900 . 4.000 2.631 2.457 2.689 . 0 0 "[ . 1 . 2]" 1
402 1 42 ALA HA 1 45 GLN H 2.910 . 4.020 3.094 2.953 3.155 . 0 0 "[ . 1 . 2]" 1
403 1 42 ALA HA 1 45 GLN QB 2.790 . 3.780 2.504 2.394 2.710 . 0 0 "[ . 1 . 2]" 1
404 1 42 ALA HA 1 45 GLN QG 3.210 . 4.620 3.886 2.785 4.658 0.038 4 0 "[ . 1 . 2]" 1
405 1 42 ALA HA 1 46 ILE H 3.020 . 4.250 3.989 3.920 4.033 . 0 0 "[ . 1 . 2]" 1
406 1 42 ALA HA 1 46 ILE MD 3.230 . 4.660 4.668 4.507 4.703 0.043 17 0 "[ . 1 . 2]" 1
407 1 42 ALA HA 1 46 ILE QG 2.900 . 4.000 4.055 4.029 4.082 0.082 6 0 "[ . 1 . 2]" 1
408 1 42 ALA MB 1 43 ASP H 2.750 . 3.690 2.735 2.625 2.947 . 0 0 "[ . 1 . 2]" 1
409 1 42 ALA MB 1 43 ASP HA 2.930 . 4.060 3.765 3.718 3.806 . 0 0 "[ . 1 . 2]" 1
410 1 42 ALA MB 1 46 ILE MD 2.920 . 4.040 2.976 2.662 3.123 . 0 0 "[ . 1 . 2]" 1
411 1 43 ASP H 1 43 ASP QB 2.570 . 3.340 2.372 2.248 2.418 . 0 0 "[ . 1 . 2]" 1
412 1 43 ASP H 1 44 SER H 2.990 . 4.180 2.731 2.693 2.770 . 0 0 "[ . 1 . 2]" 1
413 1 43 ASP HA 1 46 ILE H 2.920 . 4.040 3.240 3.174 3.355 . 0 0 "[ . 1 . 2]" 1
414 1 43 ASP HA 1 46 ILE HA 3.610 . 5.420 5.234 5.097 5.394 . 0 0 "[ . 1 . 2]" 1
415 1 43 ASP HA 1 46 ILE HB 2.960 . 4.130 2.667 2.461 2.886 . 0 0 "[ . 1 . 2]" 1
416 1 43 ASP HA 1 46 ILE MD 2.680 . 3.560 2.322 2.129 2.534 . 0 0 "[ . 1 . 2]" 1
417 1 43 ASP HA 1 46 ILE MG 3.210 . 4.620 4.130 3.956 4.327 . 0 0 "[ . 1 . 2]" 1
418 1 43 ASP HA 1 47 LYS H 3.280 . 4.760 4.199 3.890 4.455 . 0 0 "[ . 1 . 2]" 1
419 1 43 ASP QB 1 44 SER H 3.010 . 4.220 2.650 2.566 2.699 . 0 0 "[ . 1 . 2]" 1
420 1 44 SER H 1 44 SER QB 2.710 . 3.610 2.448 2.304 2.616 . 0 0 "[ . 1 . 2]" 1
421 1 44 SER H 1 45 GLN H 3.080 . 4.360 2.620 2.544 2.681 . 0 0 "[ . 1 . 2]" 1
422 1 44 SER HA 1 47 LYS H 2.940 . 4.080 3.402 3.240 3.533 . 0 0 "[ . 1 . 2]" 1
423 1 44 SER HA 1 47 LYS QB 2.990 . 4.180 3.010 2.745 4.157 . 0 0 "[ . 1 . 2]" 1
424 1 44 SER HA 1 47 LYS QD 2.830 . 3.850 2.912 2.675 3.381 . 0 0 "[ . 1 . 2]" 1
425 1 44 SER HA 1 47 LYS QE 3.460 . 5.120 4.309 2.058 4.763 . 0 0 "[ . 1 . 2]" 1
426 1 44 SER QB 1 45 GLN H 3.170 . 3.860 2.798 2.606 3.615 . 0 0 "[ . 1 . 2]" 1
427 1 45 GLN H 1 45 GLN QB 2.650 . 3.500 2.323 2.262 2.411 . 0 0 "[ . 1 . 2]" 1
428 1 45 GLN H 1 45 GLN QG 3.150 . 4.500 3.416 2.396 4.104 . 0 0 "[ . 1 . 2]" 1
429 1 45 GLN H 1 46 ILE H 2.790 . 3.770 2.619 2.584 2.655 . 0 0 "[ . 1 . 2]" 1
430 1 45 GLN H 1 46 ILE QG 3.000 . 4.210 4.288 4.256 4.312 0.102 11 0 "[ . 1 . 2]" 1
431 1 45 GLN HA 1 45 GLN QE 3.410 . 5.020 3.907 3.083 4.580 . 0 0 "[ . 1 . 2]" 1
432 1 45 GLN HA 1 45 GLN QG 2.670 . 3.540 2.603 2.346 2.958 . 0 0 "[ . 1 . 2]" 1
433 1 45 GLN HA 1 48 LEU H 2.910 . 4.020 3.208 3.090 3.369 . 0 0 "[ . 1 . 2]" 1
434 1 45 GLN HA 1 48 LEU QB 2.670 . 3.540 2.505 2.304 2.662 . 0 0 "[ . 1 . 2]" 1
435 1 45 GLN HA 1 48 LEU QD 2.930 . 4.060 2.824 2.359 3.445 . 0 0 "[ . 1 . 2]" 1
436 1 45 GLN QB 1 46 ILE QG 2.910 . 4.020 3.364 3.223 3.498 . 0 0 "[ . 1 . 2]" 1
437 1 45 GLN QE 1 48 LEU QD 2.960 . 4.120 3.685 2.161 4.240 0.120 16 0 "[ . 1 . 2]" 1
438 1 45 GLN QG 1 48 LEU QD 3.280 . 4.760 3.658 2.899 4.610 . 0 0 "[ . 1 . 2]" 1
439 1 46 ILE H 1 46 ILE HB 2.650 . 3.500 2.435 2.418 2.460 . 0 0 "[ . 1 . 2]" 1
440 1 46 ILE H 1 46 ILE MD 2.690 . 3.580 3.503 3.469 3.530 . 0 0 "[ . 1 . 2]" 1
441 1 46 ILE H 1 46 ILE MG 2.850 . 3.890 3.760 3.752 3.772 . 0 0 "[ . 1 . 2]" 1
442 1 46 ILE H 1 47 LYS H 2.750 . 3.700 2.753 2.712 2.861 . 0 0 "[ . 1 . 2]" 1
443 1 46 ILE HA 1 46 ILE MD 2.880 . 3.960 3.871 3.856 3.880 . 0 0 "[ . 1 . 2]" 1
444 1 46 ILE HA 1 46 ILE QG 2.620 . 3.450 2.381 2.361 2.392 . 0 0 "[ . 1 . 2]" 1
445 1 46 ILE HA 1 46 ILE MG 2.490 . 3.180 2.394 2.379 2.418 . 0 0 "[ . 1 . 2]" 1
446 1 46 ILE HA 1 48 LEU H 3.310 . 4.830 4.398 4.260 4.483 . 0 0 "[ . 1 . 2]" 1
447 1 46 ILE HA 1 49 SER H 3.240 . 4.680 3.259 3.141 3.318 . 0 0 "[ . 1 . 2]" 1
448 1 46 ILE HA 1 49 SER HA 3.650 . 5.500 5.237 5.070 5.358 . 0 0 "[ . 1 . 2]" 1
449 1 46 ILE HA 1 49 SER QB 2.960 . 4.120 2.524 2.391 2.635 . 0 0 "[ . 1 . 2]" 1
450 1 46 ILE HA 1 50 ILE H 3.280 . 4.760 3.928 3.871 4.017 . 0 0 "[ . 1 . 2]" 1
451 1 46 ILE HB 1 46 ILE MD 2.790 . 3.780 2.251 2.214 2.406 . 0 0 "[ . 1 . 2]" 1
452 1 46 ILE HB 1 47 LYS H 2.940 . 4.090 2.616 2.579 2.680 . 0 0 "[ . 1 . 2]" 1
453 1 46 ILE MG 1 47 LYS H 2.750 . 3.690 3.272 3.169 3.348 . 0 0 "[ . 1 . 2]" 1
454 1 46 ILE MG 1 47 LYS HA 3.010 . 4.220 3.142 3.032 3.214 . 0 0 "[ . 1 . 2]" 1
455 1 46 ILE MG 1 49 SER QB 2.650 . 3.500 3.370 3.140 3.505 0.005 1 0 "[ . 1 . 2]" 1
456 1 46 ILE MG 1 50 ILE HA 3.440 . 5.090 4.841 4.756 4.973 . 0 0 "[ . 1 . 2]" 1
457 1 46 ILE MG 1 50 ILE HB 3.270 . 4.740 4.102 3.935 4.846 0.106 9 0 "[ . 1 . 2]" 1
458 1 46 ILE MG 1 50 ILE MD 2.570 . 3.340 2.177 2.007 3.286 . 0 0 "[ . 1 . 2]" 1
459 1 46 ILE MG 1 50 ILE QG 2.810 . 3.820 2.546 2.378 3.400 . 0 0 "[ . 1 . 2]" 1
460 1 46 ILE MG 1 51 LYS H 3.650 . 5.500 5.583 5.530 5.649 0.149 2 0 "[ . 1 . 2]" 1
461 1 47 LYS H 1 47 LYS QB 2.420 . 3.040 2.421 2.401 2.594 . 0 0 "[ . 1 . 2]" 1
462 1 47 LYS H 1 47 LYS QD 2.900 . 4.000 3.821 3.685 3.938 . 0 0 "[ . 1 . 2]" 1
463 1 47 LYS H 1 47 LYS QG 2.740 . 3.680 2.338 2.173 2.379 . 0 0 "[ . 1 . 2]" 1
464 1 47 LYS HA 1 47 LYS QD 3.210 . 4.630 4.146 4.039 4.314 . 0 0 "[ . 1 . 2]" 1
465 1 47 LYS HA 1 47 LYS QG 2.870 . 3.300 2.457 2.384 3.375 0.075 2 0 "[ . 1 . 2]" 1
466 1 47 LYS HA 1 50 ILE HB 3.550 . 5.300 2.971 2.511 4.961 . 0 0 "[ . 1 . 2]" 1
467 1 47 LYS HA 1 50 ILE MD 2.900 . 4.000 2.529 2.291 2.740 . 0 0 "[ . 1 . 2]" 1
468 1 47 LYS QB 1 48 LEU H 2.650 . 3.500 2.683 2.592 3.650 0.150 2 0 "[ . 1 . 2]" 1
469 1 47 LYS QE 1 47 LYS QG 2.540 . 3.280 2.359 2.202 2.766 . 0 0 "[ . 1 . 2]" 1
470 1 48 LEU H 1 48 LEU QB 2.730 . 3.020 2.351 2.249 2.422 . 0 0 "[ . 1 . 2]" 1
471 1 48 LEU H 1 48 LEU QD 3.430 . 4.290 3.413 3.188 3.757 . 0 0 "[ . 1 . 2]" 1
472 1 48 LEU HA 1 48 LEU QD 2.460 . 3.120 2.217 2.197 2.243 . 0 0 "[ . 1 . 2]" 1
473 1 48 LEU HA 1 51 LYS QB 2.550 . 3.300 2.675 2.571 2.765 . 0 0 "[ . 1 . 2]" 1
474 1 48 LEU QB 1 48 LEU QD . . 2.700 1.948 1.922 1.972 . 0 0 "[ . 1 . 2]" 1
475 1 48 LEU QB 1 49 SER H 3.270 . 4.100 2.599 2.511 2.668 . 0 0 "[ . 1 . 2]" 1
476 1 48 LEU QB 1 49 SER HA 3.350 . 4.910 3.890 3.745 4.068 . 0 0 "[ . 1 . 2]" 1
477 1 49 SER H 1 50 ILE H 2.880 . 3.960 2.729 2.687 2.812 . 0 0 "[ . 1 . 2]" 1
478 1 49 SER QB 1 50 ILE H 2.940 . 4.080 2.630 2.575 2.688 . 0 0 "[ . 1 . 2]" 1
479 1 49 SER QB 1 50 ILE HB 3.570 . 5.340 4.851 4.736 5.491 0.151 9 0 "[ . 1 . 2]" 1
480 1 50 ILE H 1 50 ILE HB 2.730 . 3.650 2.561 2.419 3.664 0.014 18 0 "[ . 1 . 2]" 1
481 1 50 ILE H 1 50 ILE MD 2.880 . 3.960 3.533 3.483 3.763 . 0 0 "[ . 1 . 2]" 1
482 1 50 ILE H 1 50 ILE QG 2.710 . 3.610 2.250 2.070 2.290 . 0 0 "[ . 1 . 2]" 1
483 1 50 ILE H 1 51 LYS H 2.760 . 3.720 2.696 2.597 2.742 . 0 0 "[ . 1 . 2]" 1
484 1 50 ILE HA 1 50 ILE MD 3.030 . 4.260 3.906 3.871 4.172 . 0 0 "[ . 1 . 2]" 1
485 1 50 ILE HA 1 50 ILE QG 2.690 . 3.570 2.490 2.386 3.347 . 0 0 "[ . 1 . 2]" 1
486 1 50 ILE HA 1 53 LEU H 3.170 . 4.550 3.335 3.121 3.406 . 0 0 "[ . 1 . 2]" 1
487 1 50 ILE HA 1 53 LEU QB 2.840 . 3.880 2.729 2.514 2.835 . 0 0 "[ . 1 . 2]" 1
488 1 50 ILE HA 1 53 LEU QD 2.620 . 3.450 2.650 2.433 2.856 . 0 0 "[ . 1 . 2]" 1
489 1 50 ILE HA 1 53 LEU HG 3.290 . 4.790 3.598 3.308 3.712 . 0 0 "[ . 1 . 2]" 1
490 1 50 ILE HA 1 54 VAL QG 3.290 . 4.780 4.039 3.931 4.176 . 0 0 "[ . 1 . 2]" 1
491 1 50 ILE HB 1 50 ILE MD 2.600 . 3.400 2.234 2.213 2.290 . 0 0 "[ . 1 . 2]" 1
492 1 50 ILE HB 1 51 LYS H 2.850 . 3.900 2.746 2.581 3.950 0.050 9 0 "[ . 1 . 2]" 1
493 1 50 ILE MD 1 51 LYS H 3.160 . 4.520 4.416 3.972 4.494 . 0 0 "[ . 1 . 2]" 1
494 1 51 LYS H 1 51 LYS QB 2.580 . 3.370 2.324 2.263 2.413 . 0 0 "[ . 1 . 2]" 1
495 1 51 LYS H 1 51 LYS QG 3.180 . 4.560 3.358 2.361 4.069 . 0 0 "[ . 1 . 2]" 1
496 1 51 LYS H 1 52 ARG H 2.790 . 3.770 2.719 2.637 2.753 . 0 0 "[ . 1 . 2]" 1
497 1 51 LYS HA 1 51 LYS QD 2.880 . 3.960 3.753 2.131 4.231 0.271 6 0 "[ . 1 . 2]" 1
498 1 51 LYS HA 1 51 LYS QG 2.830 . 3.360 2.500 2.345 2.991 . 0 0 "[ . 1 . 2]" 1
499 1 51 LYS HA 1 54 VAL H 2.810 . 3.830 3.344 3.280 3.447 . 0 0 "[ . 1 . 2]" 1
500 1 51 LYS HA 1 54 VAL HB 2.940 . 4.080 2.759 2.651 2.880 . 0 0 "[ . 1 . 2]" 1
501 1 51 LYS HA 1 54 VAL QG 3.050 . 4.300 2.881 2.708 3.048 . 0 0 "[ . 1 . 2]" 1
502 1 51 LYS QB 1 52 ARG H 2.810 . 3.820 2.617 2.564 2.691 . 0 0 "[ . 1 . 2]" 1
503 1 51 LYS QD 1 51 LYS QG 2.080 . 2.370 2.124 2.043 2.141 . 0 0 "[ . 1 . 2]" 1
504 1 52 ARG H 1 52 ARG QB 2.700 . 3.600 2.280 2.254 2.297 . 0 0 "[ . 1 . 2]" 1
505 1 52 ARG H 1 53 LEU H 2.830 . 3.860 2.726 2.692 2.758 . 0 0 "[ . 1 . 2]" 1
506 1 52 ARG HA 1 52 ARG QD 3.400 . 5.000 3.937 2.137 4.279 . 0 0 "[ . 1 . 2]" 1
507 1 52 ARG HA 1 52 ARG QG 3.020 . 3.500 2.452 2.324 3.115 . 0 0 "[ . 1 . 2]" 1
508 1 52 ARG HA 1 55 THR H 2.830 . 3.860 3.174 3.103 3.266 . 0 0 "[ . 1 . 2]" 1
509 1 52 ARG HA 1 55 THR HB 2.680 . 3.560 2.378 2.299 2.482 . 0 0 "[ . 1 . 2]" 1
510 1 52 ARG HA 1 55 THR MG 2.780 . 3.760 3.820 3.751 3.908 0.148 7 0 "[ . 1 . 2]" 1
511 1 52 ARG HA 1 56 THR H 3.040 . 4.290 3.995 3.963 4.047 . 0 0 "[ . 1 . 2]" 1
512 1 52 ARG QB 1 53 LEU H 2.980 . 4.160 2.614 2.593 2.632 . 0 0 "[ . 1 . 2]" 1
513 1 52 ARG QD 1 53 LEU H 3.270 . 4.750 4.396 3.392 4.680 . 0 0 "[ . 1 . 2]" 1
514 1 52 ARG QD 1 53 LEU HA 3.330 . 4.870 4.473 2.762 4.938 0.068 16 0 "[ . 1 . 2]" 1
515 1 52 ARG QD 1 53 LEU QB 3.860 . 5.720 5.597 4.369 5.900 0.180 9 0 "[ . 1 . 2]" 1
516 1 52 ARG QD 1 55 THR MG 3.650 . 5.500 5.422 3.258 5.626 0.126 19 0 "[ . 1 . 2]" 1
517 1 53 LEU H 1 53 LEU QB 2.500 . 3.200 2.405 2.394 2.412 . 0 0 "[ . 1 . 2]" 1
518 1 53 LEU H 1 53 LEU QD 2.980 . 4.160 3.217 3.193 3.234 . 0 0 "[ . 1 . 2]" 1
519 1 53 LEU H 1 53 LEU HG 3.330 . 4.870 2.394 2.373 2.410 . 0 0 "[ . 1 . 2]" 1
520 1 53 LEU HA 1 53 LEU QD 2.430 . 3.060 2.150 2.049 2.213 . 0 0 "[ . 1 . 2]" 1
521 1 53 LEU HA 1 53 LEU HG 2.620 . 3.440 2.908 2.890 2.924 . 0 0 "[ . 1 . 2]" 1
522 1 53 LEU HA 1 56 THR H 3.330 . 4.870 3.196 3.136 3.300 . 0 0 "[ . 1 . 2]" 1
523 1 53 LEU HA 1 58 VAL H 3.530 . 5.260 3.681 3.618 3.795 . 0 0 "[ . 1 . 2]" 1
524 1 53 LEU HA 1 58 VAL HB 2.820 . 3.840 3.069 2.928 3.187 . 0 0 "[ . 1 . 2]" 1
525 1 53 LEU HA 1 58 VAL QG 2.910 . 4.020 3.147 2.947 3.474 . 0 0 "[ . 1 . 2]" 1
526 1 53 LEU QB 1 54 VAL H 2.940 . 4.080 2.678 2.645 2.704 . 0 0 "[ . 1 . 2]" 1
527 1 53 LEU QB 1 54 VAL QG 3.160 . 4.520 3.156 3.081 3.233 . 0 0 "[ . 1 . 2]" 1
528 1 53 LEU QB 1 58 VAL H 3.650 . 5.500 3.876 3.757 4.138 . 0 0 "[ . 1 . 2]" 1
529 1 53 LEU QB 1 59 LEU QB 3.650 . 5.500 3.050 2.248 3.351 . 0 0 "[ . 1 . 2]" 1
530 1 53 LEU QB 1 59 LEU QD 3.220 . 4.640 2.124 1.827 2.338 . 0 0 "[ . 1 . 2]" 1
531 1 53 LEU QB 1 59 LEU HG 3.440 . 4.240 2.314 1.900 4.205 . 0 0 "[ . 1 . 2]" 1
532 1 53 LEU QD 1 58 VAL H 3.050 . 4.300 3.935 3.792 4.029 . 0 0 "[ . 1 . 2]" 1
533 1 53 LEU QD 1 58 VAL HA 3.360 . 4.920 4.621 4.556 4.801 . 0 0 "[ . 1 . 2]" 1
534 1 53 LEU QD 1 58 VAL HB 2.620 . 3.440 2.218 2.171 2.265 . 0 0 "[ . 1 . 2]" 1
535 1 53 LEU QD 1 59 LEU H 3.190 . 3.960 3.990 3.814 4.048 0.088 15 0 "[ . 1 . 2]" 1
536 1 53 LEU QD 1 59 LEU HG 3.080 . 4.360 3.050 2.597 4.317 . 0 0 "[ . 1 . 2]" 1
537 1 53 LEU HG 1 54 VAL H 3.650 . 5.500 4.534 4.512 4.555 . 0 0 "[ . 1 . 2]" 1
538 1 53 LEU HG 1 59 LEU QD 3.330 . 4.860 4.007 3.759 4.179 . 0 0 "[ . 1 . 2]" 1
539 1 54 VAL H 1 54 VAL HB 2.660 . 3.520 2.449 2.441 2.455 . 0 0 "[ . 1 . 2]" 1
540 1 54 VAL H 1 54 VAL QG 2.640 . 3.480 2.237 2.188 2.334 . 0 0 "[ . 1 . 2]" 1
541 1 54 VAL H 1 59 LEU QB 3.350 . 4.900 3.656 3.198 3.819 . 0 0 "[ . 1 . 2]" 1
542 1 54 VAL HA 1 54 VAL QG 2.400 . 3.000 2.100 2.064 2.111 . 0 0 "[ . 1 . 2]" 1
543 1 54 VAL HA 1 57 GLY H 3.040 . 4.280 3.196 3.124 3.282 . 0 0 "[ . 1 . 2]" 1
544 1 54 VAL HA 1 58 VAL H 3.060 . 4.330 4.035 3.926 4.235 . 0 0 "[ . 1 . 2]" 1
545 1 54 VAL HA 1 59 LEU H 2.850 . 3.900 2.763 2.699 2.885 . 0 0 "[ . 1 . 2]" 1
546 1 54 VAL HA 1 59 LEU QB 2.900 . 4.000 2.602 2.494 2.848 . 0 0 "[ . 1 . 2]" 1
547 1 54 VAL HB 1 55 THR H 2.720 . 3.640 2.646 2.616 2.664 . 0 0 "[ . 1 . 2]" 1
548 1 54 VAL QG 1 55 THR H 3.000 . 4.210 3.233 3.212 3.250 . 0 0 "[ . 1 . 2]" 1
549 1 54 VAL QG 1 55 THR HA 2.940 . 4.080 3.330 3.299 3.350 . 0 0 "[ . 1 . 2]" 1
550 1 54 VAL QG 1 57 GLY H 3.150 . 4.500 3.957 3.932 3.977 . 0 0 "[ . 1 . 2]" 1
551 1 54 VAL QG 1 59 LEU H 3.060 . 4.330 3.640 3.581 3.756 . 0 0 "[ . 1 . 2]" 1
552 1 54 VAL QG 1 59 LEU QB 2.750 . 3.700 2.113 2.057 2.180 . 0 0 "[ . 1 . 2]" 1
553 1 54 VAL QG 1 59 LEU QD 3.380 . 4.960 2.401 2.130 3.407 . 0 0 "[ . 1 . 2]" 1
554 1 54 VAL QG 1 60 LYS HA 3.050 . 4.300 4.274 3.956 4.362 0.062 16 0 "[ . 1 . 2]" 1
555 1 54 VAL QG 1 61 GLN H 3.650 . 5.500 4.255 3.768 4.407 . 0 0 "[ . 1 . 2]" 1
556 1 55 THR H 1 55 THR HB 2.620 . 3.440 2.477 2.451 2.511 . 0 0 "[ . 1 . 2]" 1
557 1 55 THR H 1 55 THR MG 2.800 . 3.800 3.753 3.749 3.758 . 0 0 "[ . 1 . 2]" 1
558 1 55 THR H 1 56 THR H 2.750 . 3.700 2.747 2.699 2.801 . 0 0 "[ . 1 . 2]" 1
559 1 55 THR HA 1 55 THR MG 2.530 . 3.260 2.348 2.323 2.377 . 0 0 "[ . 1 . 2]" 1
560 1 55 THR HA 1 57 GLY H 3.210 . 4.620 3.986 3.873 4.079 . 0 0 "[ . 1 . 2]" 1
561 1 55 THR HB 1 56 THR H 2.780 . 3.760 2.616 2.595 2.648 . 0 0 "[ . 1 . 2]" 1
562 1 55 THR MG 1 56 THR H 2.630 . 3.460 3.431 3.380 3.479 0.019 6 0 "[ . 1 . 2]" 1
563 1 55 THR MG 1 57 GLY H 3.200 . 4.600 4.723 4.659 4.780 0.180 4 0 "[ . 1 . 2]" 1
564 1 56 THR H 1 56 THR HB 2.960 . 4.120 3.039 2.535 3.649 . 0 0 "[ . 1 . 2]" 1
565 1 56 THR H 1 57 GLY H 2.690 . 3.570 2.541 2.505 2.589 . 0 0 "[ . 1 . 2]" 1
566 1 56 THR HA 1 56 THR MG 2.270 . 2.740 2.288 2.233 2.318 . 0 0 "[ . 1 . 2]" 1
567 1 56 THR HB 1 57 GLY H 3.320 . 4.840 3.523 2.977 4.190 . 0 0 "[ . 1 . 2]" 1
568 1 56 THR HB 1 58 VAL QG 3.040 . 4.280 2.511 2.182 2.928 . 0 0 "[ . 1 . 2]" 1
569 1 56 THR MG 1 57 GLY H 3.310 . 4.820 3.997 3.827 4.202 . 0 0 "[ . 1 . 2]" 1
570 1 56 THR MG 1 58 VAL H 3.650 . 5.500 3.701 2.996 4.392 . 0 0 "[ . 1 . 2]" 1
571 1 57 GLY H 1 58 VAL H 2.810 . 3.820 2.298 2.195 2.422 . 0 0 "[ . 1 . 2]" 1
572 1 57 GLY H 1 58 VAL HB 3.150 . 4.500 4.408 4.311 4.509 0.009 12 0 "[ . 1 . 2]" 1
573 1 57 GLY H 1 58 VAL QG 3.080 . 4.370 3.999 3.909 4.084 . 0 0 "[ . 1 . 2]" 1
574 1 58 VAL H 1 58 VAL HB 2.630 . 3.460 2.437 2.432 2.446 . 0 0 "[ . 1 . 2]" 1
575 1 58 VAL H 1 58 VAL QG 2.490 . 3.180 2.337 2.226 2.399 . 0 0 "[ . 1 . 2]" 1
576 1 58 VAL H 1 59 LEU H 2.660 . 3.520 2.598 2.556 2.634 . 0 0 "[ . 1 . 2]" 1
577 1 58 VAL HA 1 58 VAL QG 2.440 . 3.080 2.074 2.039 2.116 . 0 0 "[ . 1 . 2]" 1
578 1 58 VAL HA 1 74 ALA H 3.650 . 5.500 5.154 4.442 5.525 0.025 2 0 "[ . 1 . 2]" 1
579 1 58 VAL HA 1 74 ALA MB 2.870 . 3.940 3.752 3.250 3.973 0.033 13 0 "[ . 1 . 2]" 1
580 1 58 VAL HB 1 59 LEU H 2.800 . 3.800 2.601 2.558 2.638 . 0 0 "[ . 1 . 2]" 1
581 1 58 VAL QG 1 59 LEU H 2.810 . 3.820 3.190 3.162 3.216 . 0 0 "[ . 1 . 2]" 1
582 1 58 VAL QG 1 59 LEU HA 3.190 . 4.590 3.418 3.324 3.501 . 0 0 "[ . 1 . 2]" 1
583 1 58 VAL QG 1 59 LEU HG 3.550 . 5.300 3.171 2.636 4.577 . 0 0 "[ . 1 . 2]" 1
584 1 58 VAL QG 1 74 ALA H 3.440 . 5.080 4.144 3.749 4.472 . 0 0 "[ . 1 . 2]" 1
585 1 59 LEU H 1 59 LEU QB 2.750 . 3.700 2.426 2.143 2.531 . 0 0 "[ . 1 . 2]" 1
586 1 59 LEU H 1 59 LEU QD 3.270 . 4.750 3.213 2.667 3.437 . 0 0 "[ . 1 . 2]" 1
587 1 59 LEU H 1 59 LEU HG 2.950 . 4.100 2.986 2.548 4.415 0.315 13 0 "[ . 1 . 2]" 1
588 1 59 LEU HA 1 59 LEU QD 2.630 . 3.460 2.205 1.994 2.536 . 0 0 "[ . 1 . 2]" 1
589 1 59 LEU HA 1 59 LEU HG 3.000 . 4.210 3.034 2.293 3.678 . 0 0 "[ . 1 . 2]" 1
590 1 59 LEU HA 1 60 LYS H 2.640 . 3.480 2.293 2.247 2.325 . 0 0 "[ . 1 . 2]" 1
591 1 59 LEU HA 1 60 LYS QB 3.150 . 4.500 4.245 3.990 4.375 . 0 0 "[ . 1 . 2]" 1
592 1 59 LEU HA 1 73 LEU HA 2.750 . 3.700 3.155 2.807 3.467 . 0 0 "[ . 1 . 2]" 1
593 1 59 LEU HA 1 74 ALA H 2.850 . 3.900 3.154 2.940 3.315 . 0 0 "[ . 1 . 2]" 1
594 1 59 LEU HA 1 74 ALA MB 3.150 . 4.500 3.713 3.331 4.208 . 0 0 "[ . 1 . 2]" 1
595 1 59 LEU QB 1 59 LEU QD 2.750 . 3.460 1.975 1.938 2.000 . 0 0 "[ . 1 . 2]" 1
596 1 59 LEU QB 1 60 LYS H 2.750 . 3.700 2.859 2.724 3.202 . 0 0 "[ . 1 . 2]" 1
597 1 59 LEU QB 1 60 LYS QB 3.370 . 4.940 4.518 4.419 4.779 . 0 0 "[ . 1 . 2]" 1
598 1 59 LEU QB 1 71 PHE QB 3.650 . 4.680 2.512 2.164 3.078 . 0 0 "[ . 1 . 2]" 1
599 1 59 LEU QB 1 71 PHE QD 3.420 . 5.040 3.365 2.959 3.615 . 0 0 "[ . 1 . 2]" 1
600 1 59 LEU QD 1 60 LYS H 3.190 . 4.580 3.420 2.801 3.849 . 0 0 "[ . 1 . 2]" 1
601 1 59 LEU QD 1 71 PHE QB 3.420 . 5.040 2.542 2.167 2.952 . 0 0 "[ . 1 . 2]" 1
602 1 59 LEU QD 1 73 LEU HA 2.670 . 3.540 2.891 2.410 3.402 . 0 0 "[ . 1 . 2]" 1
603 1 59 LEU QD 1 73 LEU HG 3.650 . 5.500 4.253 3.946 4.744 . 0 0 "[ . 1 . 2]" 1
604 1 59 LEU QD 1 74 ALA H 2.990 . 4.180 3.730 3.298 4.288 0.108 13 0 "[ . 1 . 2]" 1
605 1 59 LEU HG 1 73 LEU QD 3.620 . 5.440 4.173 2.653 4.514 . 0 0 "[ . 1 . 2]" 1
606 1 60 LYS H 1 60 LYS QB 2.880 . 3.830 2.264 2.171 2.333 . 0 0 "[ . 1 . 2]" 1
607 1 60 LYS H 1 72 ARG H 2.940 . 4.090 3.041 2.791 3.252 . 0 0 "[ . 1 . 2]" 1
608 1 60 LYS H 1 73 LEU HA 3.570 . 5.340 3.178 2.770 3.556 . 0 0 "[ . 1 . 2]" 1
609 1 60 LYS HA 1 60 LYS QD 3.000 . 4.200 3.541 2.082 4.188 . 0 0 "[ . 1 . 2]" 1
610 1 60 LYS HA 1 60 LYS QE 3.380 . 4.960 4.380 3.760 4.847 . 0 0 "[ . 1 . 2]" 1
611 1 60 LYS HA 1 60 LYS QG 2.760 . 3.720 2.391 2.148 2.655 . 0 0 "[ . 1 . 2]" 1
612 1 60 LYS HA 1 61 GLN H 2.520 . 3.240 2.333 2.259 2.353 . 0 0 "[ . 1 . 2]" 1
613 1 60 LYS HA 1 72 ARG QB 3.050 . 4.300 4.417 4.346 4.496 0.196 16 0 "[ . 1 . 2]" 1
614 1 60 LYS QB 1 61 GLN H 2.940 . 4.020 2.871 2.638 3.581 . 0 0 "[ . 1 . 2]" 1
615 1 60 LYS QB 1 71 PHE HA 3.610 . 4.820 4.772 4.645 4.849 0.029 5 0 "[ . 1 . 2]" 1
616 1 60 LYS QB 1 72 ARG H 2.960 . 4.020 2.930 2.787 3.084 . 0 0 "[ . 1 . 2]" 1
617 1 60 LYS QB 1 72 ARG QB 2.630 . 3.460 1.841 1.769 1.906 0.031 4 0 "[ . 1 . 2]" 1
618 1 60 LYS QB 1 74 ALA MB 2.700 . 3.600 3.493 2.252 3.768 0.168 9 0 "[ . 1 . 2]" 1
619 1 60 LYS QD 1 74 ALA H 2.830 . 3.860 3.985 3.784 4.137 0.277 13 0 "[ . 1 . 2]" 1
620 1 60 LYS QD 1 74 ALA HA 2.690 . 3.580 2.450 2.090 2.780 . 0 0 "[ . 1 . 2]" 1
621 1 60 LYS QE 1 74 ALA HA 3.090 . 4.380 3.234 2.141 4.356 . 0 0 "[ . 1 . 2]" 1
622 1 60 LYS QE 1 74 ALA MB 3.130 . 4.460 2.862 2.016 4.364 . 0 0 "[ . 1 . 2]" 1
623 1 60 LYS QG 1 61 GLN H 3.010 . 4.220 3.183 2.095 3.669 . 0 0 "[ . 1 . 2]" 1
624 1 61 GLN H 1 61 GLN QB 2.790 . 3.780 2.388 2.294 2.645 . 0 0 "[ . 1 . 2]" 1
625 1 61 GLN H 1 62 THR MG 3.950 . 6.100 6.139 6.048 6.195 0.095 16 0 "[ . 1 . 2]" 1
626 1 61 GLN H 1 72 ARG H 3.190 . 4.580 4.726 4.658 4.816 0.236 4 0 "[ . 1 . 2]" 1
627 1 61 GLN H 1 72 ARG QB 3.120 . 4.440 4.605 4.535 4.668 0.228 13 0 "[ . 1 . 2]" 1
628 1 61 GLN HA 1 62 THR H 2.670 . 3.540 2.274 2.223 2.357 . 0 0 "[ . 1 . 2]" 1
629 1 61 GLN HA 1 62 THR HA 3.130 . 4.460 4.388 4.362 4.426 . 0 0 "[ . 1 . 2]" 1
630 1 61 GLN HA 1 62 THR HB 3.650 . 5.500 4.849 4.786 4.902 . 0 0 "[ . 1 . 2]" 1
631 1 61 GLN HA 1 71 PHE HA 2.880 . 3.960 3.455 3.163 3.717 . 0 0 "[ . 1 . 2]" 1
632 1 61 GLN QE 1 61 GLN QG 2.480 . 3.150 2.174 2.139 2.296 . 0 0 "[ . 1 . 2]" 1
633 1 61 GLN QG 1 62 THR H 2.980 . 3.640 2.786 2.504 3.685 0.045 16 0 "[ . 1 . 2]" 1
634 1 61 GLN QG 1 62 THR HA 3.150 . 4.500 3.688 3.535 3.832 . 0 0 "[ . 1 . 2]" 1
635 1 62 THR H 1 62 THR HB 2.880 . 3.960 2.878 2.785 2.994 . 0 0 "[ . 1 . 2]" 1
636 1 62 THR H 1 62 THR MG 3.040 . 4.280 3.938 3.898 3.983 . 0 0 "[ . 1 . 2]" 1
637 1 62 THR H 1 71 PHE HA 3.030 . 4.260 3.216 2.896 3.576 . 0 0 "[ . 1 . 2]" 1
638 1 62 THR HA 1 62 THR MG 2.440 . 3.080 2.098 2.073 2.122 . 0 0 "[ . 1 . 2]" 1
639 1 62 THR HA 1 72 ARG QG 3.270 . 4.740 4.378 3.979 4.615 . 0 0 "[ . 1 . 2]" 1
640 1 62 THR HB 1 63 LYS H 3.000 . 4.210 3.317 3.265 3.370 . 0 0 "[ . 1 . 2]" 1
641 1 62 THR HB 1 63 LYS QB 3.770 . 5.540 5.237 5.194 5.268 . 0 0 "[ . 1 . 2]" 1
642 1 62 THR HB 1 70 SER H 3.120 . 4.450 3.713 3.641 3.806 . 0 0 "[ . 1 . 2]" 1
643 1 62 THR HB 1 70 SER QB 2.920 . 4.040 1.929 1.870 1.998 . 0 0 "[ . 1 . 2]" 1
644 1 62 THR HB 1 72 ARG QD 3.650 . 5.500 5.117 4.524 5.526 0.026 5 0 "[ . 1 . 2]" 1
645 1 62 THR HB 1 72 ARG QG 3.230 . 4.660 3.959 3.848 4.008 . 0 0 "[ . 1 . 2]" 1
646 1 62 THR MG 1 63 LYS QB 3.570 . 5.340 3.612 3.523 3.719 . 0 0 "[ . 1 . 2]" 1
647 1 62 THR MG 1 70 SER H 3.190 . 4.580 4.633 4.605 4.660 0.080 20 0 "[ . 1 . 2]" 1
648 1 62 THR MG 1 70 SER QB 3.210 . 4.630 2.455 2.396 2.532 . 0 0 "[ . 1 . 2]" 1
649 1 62 THR MG 1 71 PHE HA 3.260 . 4.720 4.504 4.396 4.654 . 0 0 "[ . 1 . 2]" 1
650 1 62 THR MG 1 72 ARG H 3.650 . 5.500 4.912 4.691 5.235 . 0 0 "[ . 1 . 2]" 1
651 1 62 THR MG 1 72 ARG QB 3.650 . 5.500 4.236 3.949 4.576 . 0 0 "[ . 1 . 2]" 1
652 1 62 THR MG 1 72 ARG QD 3.480 . 4.440 3.045 2.435 3.727 . 0 0 "[ . 1 . 2]" 1
653 1 62 THR MG 1 72 ARG QG 3.310 . 4.820 2.662 2.441 3.064 . 0 0 "[ . 1 . 2]" 1
654 1 63 LYS HA 1 64 GLY H 2.620 . 3.440 2.544 2.477 2.575 . 0 0 "[ . 1 . 2]" 1
655 1 63 LYS HA 1 70 SER H 3.650 . 5.500 5.634 5.593 5.667 0.167 18 0 "[ . 1 . 2]" 1
656 1 63 LYS QB 1 64 GLY H 3.410 . 4.320 2.158 2.099 2.283 . 0 0 "[ . 1 . 2]" 1
657 1 63 LYS QB 1 70 SER H 3.800 . 5.800 5.996 5.964 6.020 0.220 7 0 "[ . 1 . 2]" 1
658 1 63 LYS QG 1 64 GLY H 3.650 . 5.500 3.277 3.054 3.558 . 0 0 "[ . 1 . 2]" 1
659 1 63 LYS QG 1 70 SER H 3.190 . 4.580 4.822 4.779 4.866 0.286 3 0 "[ . 1 . 2]" 1
660 1 64 GLY H 1 65 VAL HA 3.650 . 5.500 4.935 4.904 4.958 . 0 0 "[ . 1 . 2]" 1
661 1 64 GLY QA 1 65 VAL QG 2.830 . 3.860 3.912 3.646 3.995 0.135 13 0 "[ . 1 . 2]" 1
662 1 65 VAL H 1 65 VAL QG 2.810 . 3.830 2.046 1.788 2.237 0.002 17 0 "[ . 1 . 2]" 1
663 1 65 VAL HA 1 65 VAL QG 2.560 . 2.860 2.064 1.985 2.221 . 0 0 "[ . 1 . 2]" 1
664 1 69 GLY QA 1 70 SER H 2.620 . 3.020 2.719 2.714 2.732 . 0 0 "[ . 1 . 2]" 1
665 1 70 SER H 1 70 SER QB 2.710 . 3.620 2.416 2.396 2.431 . 0 0 "[ . 1 . 2]" 1
666 1 70 SER HA 1 71 PHE QD 3.250 . 4.700 4.107 3.969 4.283 . 0 0 "[ . 1 . 2]" 1
667 1 70 SER QB 1 71 PHE H 3.160 . 3.690 2.926 2.865 2.999 . 0 0 "[ . 1 . 2]" 1
668 1 70 SER QB 1 71 PHE HA 3.570 . 5.340 4.043 4.017 4.060 . 0 0 "[ . 1 . 2]" 1
669 1 70 SER QB 1 71 PHE QD 3.570 . 5.340 5.152 5.123 5.181 . 0 0 "[ . 1 . 2]" 1
670 1 70 SER QB 1 72 ARG QG 3.490 . 5.180 4.141 3.981 4.305 . 0 0 "[ . 1 . 2]" 1
671 1 71 PHE H 1 71 PHE QB 2.740 . 3.680 2.688 2.664 2.713 . 0 0 "[ . 1 . 2]" 1
672 1 71 PHE H 1 71 PHE QD 3.030 . 4.260 3.373 3.251 3.514 . 0 0 "[ . 1 . 2]" 1
673 1 71 PHE HA 1 71 PHE QD 2.890 . 3.980 2.609 2.459 2.715 . 0 0 "[ . 1 . 2]" 1
674 1 71 PHE HA 1 72 ARG H 2.540 . 3.280 2.321 2.297 2.341 . 0 0 "[ . 1 . 2]" 1
675 1 71 PHE HA 1 72 ARG QB 3.650 . 5.500 4.242 4.171 4.295 . 0 0 "[ . 1 . 2]" 1
676 1 71 PHE HA 1 72 ARG QG 3.170 . 4.540 3.998 3.824 4.160 . 0 0 "[ . 1 . 2]" 1
677 1 71 PHE QB 1 72 ARG H 3.050 . 3.730 2.725 2.648 2.809 . 0 0 "[ . 1 . 2]" 1
678 1 71 PHE QB 1 72 ARG QG 3.490 . 5.180 4.875 4.743 5.104 . 0 0 "[ . 1 . 2]" 1
679 1 72 ARG H 1 72 ARG QG 2.900 . 4.000 3.252 3.149 3.330 . 0 0 "[ . 1 . 2]" 1
680 1 72 ARG QB 1 72 ARG QD 2.650 . 3.500 2.437 2.211 2.727 . 0 0 "[ . 1 . 2]" 1
681 1 72 ARG QB 1 73 LEU H 2.630 . 3.460 2.460 2.103 2.777 . 0 0 "[ . 1 . 2]" 1
682 1 73 LEU H 1 73 LEU QB 2.620 . 3.450 2.421 2.250 2.545 . 0 0 "[ . 1 . 2]" 1
683 1 73 LEU H 1 73 LEU QD 3.130 . 4.460 3.548 3.287 3.886 . 0 0 "[ . 1 . 2]" 1
684 1 73 LEU H 1 73 LEU HG 3.210 . 4.630 3.570 2.583 4.643 0.013 20 0 "[ . 1 . 2]" 1
685 1 73 LEU HA 1 73 LEU QD 3.100 . 3.240 2.191 2.017 2.236 . 0 0 "[ . 1 . 2]" 1
686 1 73 LEU HA 1 73 LEU HG 3.020 . 4.240 3.206 3.087 3.682 . 0 0 "[ . 1 . 2]" 1
687 1 73 LEU HA 1 74 ALA H 2.460 . 3.110 2.226 2.205 2.278 . 0 0 "[ . 1 . 2]" 1
688 1 73 LEU HA 1 74 ALA HA 3.250 . 4.710 4.329 4.310 4.341 . 0 0 "[ . 1 . 2]" 1
689 1 73 LEU HA 1 74 ALA MB 2.900 . 4.000 4.045 4.004 4.062 0.062 6 0 "[ . 1 . 2]" 1
690 1 73 LEU HA 1 75 LYS H 3.650 . 5.500 5.553 5.508 5.589 0.089 14 0 "[ . 1 . 2]" 1
691 1 73 LEU QB 1 74 ALA H 2.940 . 4.080 3.439 2.920 3.848 . 0 0 "[ . 1 . 2]" 1
692 1 73 LEU QB 1 75 LYS H 3.250 . 4.710 4.533 4.364 4.749 0.039 5 0 "[ . 1 . 2]" 1
693 1 73 LEU QD 1 74 ALA H 3.570 . 5.340 2.939 2.213 3.609 . 0 0 "[ . 1 . 2]" 1
694 1 73 LEU QD 1 74 ALA HA 3.620 . 5.440 4.759 3.763 5.333 . 0 0 "[ . 1 . 2]" 1
695 1 74 ALA H 1 74 ALA MB 2.510 . 3.220 2.299 2.261 2.329 . 0 0 "[ . 1 . 2]" 1
696 1 74 ALA H 1 75 LYS H 3.130 . 4.460 4.339 4.304 4.362 . 0 0 "[ . 1 . 2]" 1
697 1 74 ALA HA 1 75 LYS H 2.580 . 3.360 2.225 2.199 2.240 . 0 0 "[ . 1 . 2]" 1
698 1 74 ALA HA 1 75 LYS QB 3.150 . 4.500 4.362 4.160 4.562 0.062 14 0 "[ . 1 . 2]" 1
699 1 74 ALA MB 1 75 LYS H 2.660 . 3.520 3.475 3.448 3.503 . 0 0 "[ . 1 . 2]" 1
700 1 75 LYS H 1 75 LYS QB 2.520 . 3.240 2.423 2.204 3.386 0.146 13 0 "[ . 1 . 2]" 1
701 1 75 LYS HA 1 75 LYS QG 2.740 . 3.680 2.683 2.288 3.372 . 0 0 "[ . 1 . 2]" 1
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