NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579227 |
2meu   |
19532 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2meu
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 492
_Distance_constraint_stats_list.Viol_count 954
_Distance_constraint_stats_list.Viol_total 851.766
_Distance_constraint_stats_list.Viol_max 0.730
_Distance_constraint_stats_list.Viol_rms 0.0621
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0173
_Distance_constraint_stats_list.Viol_average_violations_only 0.0893
_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 1 GLU 0.000 0.000 . 0 "[ . 1]"
1 2 LYS 0.016 0.007 3 0 "[ . 1]"
1 3 THR 0.295 0.034 1 0 "[ . 1]"
1 4 ASN 0.840 0.082 5 0 "[ . 1]"
1 5 LEU 1.994 0.172 6 0 "[ . 1]"
1 6 GLU 2.582 0.172 6 0 "[ . 1]"
1 7 ILE 0.796 0.085 5 0 "[ . 1]"
1 8 ILE 0.370 0.065 5 0 "[ . 1]"
1 9 ILE 0.037 0.024 9 0 "[ . 1]"
1 10 LEU 0.082 0.027 4 0 "[ . 1]"
1 11 VAL 0.330 0.051 5 0 "[ . 1]"
1 12 GLU 7.471 0.726 5 10 [****+***-*]
1 13 THR 2.893 0.224 6 0 "[ . 1]"
1 14 ALA 2.442 0.241 5 0 "[ . 1]"
1 15 VAL 2.590 0.241 5 0 "[ . 1]"
1 16 ILE 7.299 0.730 5 10 [****+***-*]
1 17 ALA 2.237 0.224 6 0 "[ . 1]"
1 18 MET 0.170 0.090 6 0 "[ . 1]"
1 19 GLU 0.173 0.106 9 0 "[ . 1]"
1 20 PHE 2.180 0.204 9 0 "[ . 1]"
1 21 TRP 5.676 0.678 9 1 "[ . +1]"
1 22 LEU 0.101 0.101 9 0 "[ . 1]"
1 23 LEU 5.316 0.247 8 0 "[ . 1]"
1 24 LEU 2.134 0.187 9 0 "[ . 1]"
1 25 VAL 2.808 0.170 6 0 "[ . 1]"
1 26 ILE 6.039 0.247 8 0 "[ . 1]"
1 27 ILE 3.553 0.223 8 0 "[ . 1]"
1 28 LEU 2.344 0.105 8 0 "[ . 1]"
1 29 ARG 2.673 0.170 6 0 "[ . 1]"
1 30 THR 5.820 0.331 7 0 "[ . 1]"
1 31 VAL 1.674 0.121 10 0 "[ . 1]"
1 32 LYS 0.778 0.090 9 0 "[ . 1]"
1 33 ARG 2.850 0.331 7 0 "[ . 1]"
1 34 ALA 0.790 0.121 10 0 "[ . 1]"
1 35 ASN 0.024 0.006 8 0 "[ . 1]"
1 36 GLY 0.000 0.000 . 0 "[ . 1]"
1 37 GLY 0.003 0.003 10 0 "[ . 1]"
2 1 GLU 0.000 0.000 . 0 "[ . 1]"
2 2 LYS 0.007 0.005 4 0 "[ . 1]"
2 3 THR 0.293 0.037 1 0 "[ . 1]"
2 4 ASN 0.902 0.085 6 0 "[ . 1]"
2 5 LEU 1.985 0.172 5 0 "[ . 1]"
2 6 GLU 2.596 0.172 5 0 "[ . 1]"
2 7 ILE 0.815 0.087 5 0 "[ . 1]"
2 8 ILE 0.401 0.061 5 0 "[ . 1]"
2 9 ILE 0.038 0.026 9 0 "[ . 1]"
2 10 LEU 0.121 0.026 4 0 "[ . 1]"
2 11 VAL 0.334 0.051 5 0 "[ . 1]"
2 12 GLU 7.569 0.730 5 10 [****+***-*]
2 13 THR 2.820 0.215 6 0 "[ . 1]"
2 14 ALA 2.416 0.241 3 0 "[ . 1]"
2 15 VAL 2.643 0.241 3 0 "[ . 1]"
2 16 ILE 7.160 0.726 5 10 [****+***-*]
2 17 ALA 2.196 0.215 6 0 "[ . 1]"
2 18 MET 0.167 0.088 6 0 "[ . 1]"
2 19 GLU 0.169 0.101 9 0 "[ . 1]"
2 20 PHE 2.163 0.201 9 0 "[ . 1]"
2 21 TRP 5.687 0.678 9 1 "[ . +1]"
2 22 LEU 0.106 0.106 9 0 "[ . 1]"
2 23 LEU 5.291 0.250 8 0 "[ . 1]"
2 24 LEU 2.130 0.188 9 0 "[ . 1]"
2 25 VAL 2.855 0.173 6 0 "[ . 1]"
2 26 ILE 6.019 0.250 8 0 "[ . 1]"
2 27 ILE 3.581 0.223 8 0 "[ . 1]"
2 28 LEU 2.400 0.106 8 0 "[ . 1]"
2 29 ARG 2.654 0.173 6 0 "[ . 1]"
2 30 THR 6.107 0.330 7 0 "[ . 1]"
2 31 VAL 1.722 0.107 10 0 "[ . 1]"
2 32 LYS 0.777 0.090 9 0 "[ . 1]"
2 33 ARG 2.955 0.330 7 0 "[ . 1]"
2 34 ALA 0.729 0.088 6 0 "[ . 1]"
2 35 ASN 0.021 0.005 3 0 "[ . 1]"
2 36 GLY 0.000 0.000 . 0 "[ . 1]"
2 37 GLY 0.000 0.000 . 0 "[ . 1]"
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 1 GLU H1 1 1 GLU QG . . 3.320 2.752 2.078 3.134 . 0 0 "[ . 1]" 1
2 1 1 GLU H1 1 5 LEU QD . . 4.580 4.434 4.404 4.462 . 0 0 "[ . 1]" 1
3 1 1 GLU HA 1 2 LYS H . . 2.750 2.251 2.162 2.397 . 0 0 "[ . 1]" 1
4 1 2 LYS H 1 2 LYS QB . . 2.690 2.194 2.140 2.227 . 0 0 "[ . 1]" 1
5 1 2 LYS H 1 3 THR H . . 3.220 2.563 2.480 2.757 . 0 0 "[ . 1]" 1
6 1 2 LYS QB 1 3 THR H . . 3.000 2.994 2.958 3.007 0.007 3 0 "[ . 1]" 1
7 1 2 LYS QG 2 5 LEU QD . . 3.500 2.915 2.735 3.138 . 0 0 "[ . 1]" 1
8 1 2 LYS HG3 1 5 LEU QD . . 3.120 2.075 1.855 2.475 . 0 0 "[ . 1]" 1
9 1 3 THR H 1 3 THR HB . . 3.180 2.658 2.586 2.732 . 0 0 "[ . 1]" 1
10 1 3 THR H 1 3 THR HG1 . . 3.340 2.249 1.727 2.881 . 0 0 "[ . 1]" 1
11 1 3 THR H 1 4 ASN H . . 3.400 2.915 2.810 2.978 . 0 0 "[ . 1]" 1
12 1 3 THR HA 1 3 THR MG . . 2.840 2.273 2.241 2.321 . 0 0 "[ . 1]" 1
13 1 3 THR HA 1 6 GLU HB2 . . 4.240 2.649 2.453 2.775 . 0 0 "[ . 1]" 1
14 1 3 THR HA 1 7 ILE MD . . 4.160 4.043 3.992 4.119 . 0 0 "[ . 1]" 1
15 1 3 THR HB 1 7 ILE MD . . 3.840 3.762 3.680 3.839 . 0 0 "[ . 1]" 1
16 1 3 THR MG 1 6 GLU HB2 . . 3.390 3.138 3.100 3.157 . 0 0 "[ . 1]" 1
17 1 3 THR MG 1 6 GLU HG3 . . 3.850 3.878 3.871 3.884 0.034 1 0 "[ . 1]" 1
18 1 3 THR MG 1 7 ILE MD . . 2.590 2.159 2.077 2.304 . 0 0 "[ . 1]" 1
19 1 3 THR MG 1 7 ILE QG . . 3.180 3.123 3.114 3.145 . 0 0 "[ . 1]" 1
20 1 4 ASN H 1 4 ASN HB2 . . 3.550 2.025 2.014 2.031 . 0 0 "[ . 1]" 1
21 1 4 ASN H 1 4 ASN HB3 . . 3.200 3.265 3.233 3.282 0.082 5 0 "[ . 1]" 1
22 1 4 ASN HA 1 7 ILE HB . . 3.900 2.961 2.845 3.100 . 0 0 "[ . 1]" 1
23 1 4 ASN HA 1 7 ILE MD . . 3.180 2.575 2.543 2.601 . 0 0 "[ . 1]" 1
24 1 4 ASN HA 1 7 ILE MG . . 4.540 4.286 4.172 4.403 . 0 0 "[ . 1]" 1
25 1 4 ASN HB2 1 5 LEU QD . . 4.400 4.116 4.086 4.134 . 0 0 "[ . 1]" 1
26 1 4 ASN HB2 1 7 ILE MD . . 4.780 4.799 4.786 4.810 0.030 6 0 "[ . 1]" 1
27 1 4 ASN HB3 1 5 LEU H . . 3.040 2.450 2.407 2.487 . 0 0 "[ . 1]" 1
28 1 4 ASN HB3 1 5 LEU QD . . 3.990 3.240 3.117 3.323 . 0 0 "[ . 1]" 1
29 1 5 LEU HA 1 5 LEU QD . . 3.560 2.250 2.221 2.290 . 0 0 "[ . 1]" 1
30 1 5 LEU HA 1 6 GLU H . . 3.440 3.610 3.607 3.612 0.172 6 0 "[ . 1]" 1
31 1 5 LEU HA 1 8 ILE HB . . 4.140 2.170 2.092 2.236 . 0 0 "[ . 1]" 1
32 1 5 LEU HA 1 8 ILE MD . . 3.380 1.718 1.701 1.737 . 0 0 "[ . 1]" 1
33 1 5 LEU HA 2 5 LEU QD . . 3.500 3.421 3.396 3.442 . 0 0 "[ . 1]" 1
34 1 5 LEU QD 2 2 LYS QG . . 3.500 2.906 2.724 3.121 . 0 0 "[ . 1]" 1
35 1 5 LEU QD 2 5 LEU HA . . 3.500 3.407 3.377 3.431 . 0 0 "[ . 1]" 1
36 1 5 LEU QD 2 8 ILE HB . . 4.000 4.029 4.016 4.061 0.061 5 0 "[ . 1]" 1
37 1 6 GLU H 1 6 GLU HB3 . . 3.900 3.579 3.577 3.581 . 0 0 "[ . 1]" 1
38 1 6 GLU H 1 6 GLU HG2 . . 3.070 1.982 1.920 2.039 . 0 0 "[ . 1]" 1
39 1 6 GLU H 1 6 GLU HG3 . . 3.090 2.796 2.727 2.861 . 0 0 "[ . 1]" 1
40 1 6 GLU H 1 7 ILE H . . 2.970 2.899 2.871 2.932 . 0 0 "[ . 1]" 1
41 1 6 GLU HB3 1 7 ILE MD . . 5.030 5.090 5.073 5.115 0.085 5 0 "[ . 1]" 1
42 1 7 ILE H 1 7 ILE HA . . 2.920 2.902 2.884 2.919 . 0 0 "[ . 1]" 1
43 1 7 ILE H 1 7 ILE HB . . 2.630 2.321 2.294 2.349 . 0 0 "[ . 1]" 1
44 1 7 ILE H 1 7 ILE QG . . 2.570 2.497 2.391 2.549 . 0 0 "[ . 1]" 1
45 1 7 ILE HA 1 7 ILE MG . . 2.920 2.399 2.370 2.444 . 0 0 "[ . 1]" 1
46 1 7 ILE HA 1 10 LEU H . . 3.620 3.350 3.284 3.471 . 0 0 "[ . 1]" 1
47 1 7 ILE HA 1 10 LEU HB2 . . 4.220 2.424 2.354 2.562 . 0 0 "[ . 1]" 1
48 1 7 ILE HA 1 10 LEU MD1 . . 3.120 3.048 2.976 3.125 0.005 6 0 "[ . 1]" 1
49 1 7 ILE HB 1 7 ILE MD . . 2.730 2.079 2.054 2.150 . 0 0 "[ . 1]" 1
50 1 7 ILE QG 1 7 ILE MG . . 2.950 2.159 2.153 2.161 . 0 0 "[ . 1]" 1
51 1 7 ILE QG 1 11 VAL QG . . 4.260 3.966 3.926 4.001 . 0 0 "[ . 1]" 1
52 1 7 ILE MG 1 8 ILE HA . . 3.470 3.359 3.279 3.405 . 0 0 "[ . 1]" 1
53 1 8 ILE H 1 8 ILE HB . . 2.650 2.469 2.413 2.495 . 0 0 "[ . 1]" 1
54 1 8 ILE HA 1 8 ILE MD . . 3.840 3.844 3.829 3.850 0.010 9 0 "[ . 1]" 1
55 1 8 ILE HA 1 8 ILE MG . . 3.550 2.417 2.397 2.448 . 0 0 "[ . 1]" 1
56 1 8 ILE HB 1 8 ILE MD . . 2.980 2.134 2.084 2.169 . 0 0 "[ . 1]" 1
57 1 8 ILE HB 2 5 LEU QD . . 4.000 4.028 4.007 4.065 0.065 5 0 "[ . 1]" 1
58 1 8 ILE HG13 1 8 ILE MG . . 3.410 3.146 3.138 3.163 . 0 0 "[ . 1]" 1
59 1 8 ILE MG 1 9 ILE HA . . 3.660 3.621 3.524 3.684 0.024 9 0 "[ . 1]" 1
60 1 8 ILE MG 2 9 ILE HA . . 4.000 1.942 1.849 2.031 . 0 0 "[ . 1]" 1
61 1 9 ILE H 1 10 LEU H . . 3.250 2.646 2.614 2.682 . 0 0 "[ . 1]" 1
62 1 9 ILE HA 1 12 GLU H . . 3.760 3.382 3.279 3.475 . 0 0 "[ . 1]" 1
63 1 9 ILE HA 2 8 ILE MG . . 4.000 1.985 1.887 2.082 . 0 0 "[ . 1]" 1
64 1 9 ILE MG 1 13 THR HG1 . . 3.490 3.292 3.190 3.427 . 0 0 "[ . 1]" 1
65 1 10 LEU HA 1 10 LEU MD1 . . 3.810 3.695 3.664 3.724 . 0 0 "[ . 1]" 1
66 1 10 LEU HA 1 13 THR H . . 3.720 3.628 3.603 3.647 . 0 0 "[ . 1]" 1
67 1 10 LEU QB 1 13 THR MG . . 5.100 5.095 5.041 5.127 0.027 4 0 "[ . 1]" 1
68 1 10 LEU HB2 1 10 LEU MD1 . . 3.290 2.400 2.299 2.458 . 0 0 "[ . 1]" 1
69 1 10 LEU MD2 1 13 THR HG1 . . 3.850 3.834 3.788 3.853 0.003 4 0 "[ . 1]" 1
70 1 11 VAL H 1 11 VAL HA . . 2.800 2.833 2.813 2.851 0.051 5 0 "[ . 1]" 1
71 1 11 VAL H 1 11 VAL HB . . 2.660 2.523 2.379 2.632 . 0 0 "[ . 1]" 1
72 1 11 VAL H 1 11 VAL QG . . 2.570 1.993 1.815 2.279 . 0 0 "[ . 1]" 1
73 1 11 VAL H 1 12 GLU H . . 2.980 2.738 2.674 2.799 . 0 0 "[ . 1]" 1
74 1 11 VAL HA 1 11 VAL QG . . 2.770 2.105 2.094 2.123 . 0 0 "[ . 1]" 1
75 1 11 VAL HA 1 14 ALA H . . 3.710 3.529 3.438 3.591 . 0 0 "[ . 1]" 1
76 1 11 VAL HA 1 14 ALA MB . . 3.570 2.836 2.774 2.880 . 0 0 "[ . 1]" 1
77 1 11 VAL HB 1 12 GLU H . . 2.990 2.460 2.401 2.539 . 0 0 "[ . 1]" 1
78 1 11 VAL QG 1 12 GLU H . . 3.550 3.164 3.074 3.206 . 0 0 "[ . 1]" 1
79 1 11 VAL QG 1 12 GLU HA . . 3.700 3.507 3.268 3.661 . 0 0 "[ . 1]" 1
80 1 11 VAL QG 1 14 ALA MB . . 3.810 3.355 3.261 3.439 . 0 0 "[ . 1]" 1
81 1 12 GLU H 1 12 GLU QB . . 2.700 2.191 2.177 2.202 . 0 0 "[ . 1]" 1
82 1 12 GLU H 1 12 GLU QG . . 2.840 2.697 2.680 2.720 . 0 0 "[ . 1]" 1
83 1 12 GLU H 1 13 THR H . . 2.890 2.919 2.899 2.949 0.059 9 0 "[ . 1]" 1
84 1 12 GLU HA 1 15 VAL H . . 3.470 3.488 3.413 3.549 0.079 5 0 "[ . 1]" 1
85 1 12 GLU HA 1 15 VAL QG . . 3.540 2.710 2.676 2.779 . 0 0 "[ . 1]" 1
86 1 12 GLU HA 2 15 VAL QG . . 4.000 3.323 3.293 3.365 . 0 0 "[ . 1]" 1
87 1 12 GLU HA 2 16 ILE MD . . 4.500 5.194 5.119 5.226 0.726 5 10 [****+***-*] 1
88 1 12 GLU QG 1 16 ILE MD . . 5.500 4.152 3.965 4.269 . 0 0 "[ . 1]" 1
89 1 13 THR H 1 13 THR HA . . 2.770 2.813 2.796 2.824 0.054 4 0 "[ . 1]" 1
90 1 13 THR H 1 13 THR HG1 . . 2.700 2.676 2.611 2.702 0.002 4 0 "[ . 1]" 1
91 1 13 THR H 1 14 ALA H . . 2.940 2.935 2.894 2.974 0.034 9 0 "[ . 1]" 1
92 1 13 THR HA 1 13 THR MG . . 3.410 2.510 2.492 2.525 . 0 0 "[ . 1]" 1
93 1 13 THR HA 1 16 ILE H . . 3.750 3.776 3.722 3.794 0.044 5 0 "[ . 1]" 1
94 1 13 THR HA 1 16 ILE MD . . 5.500 3.804 3.691 3.881 . 0 0 "[ . 1]" 1
95 1 13 THR HB 1 14 ALA H . . 3.380 2.358 2.333 2.389 . 0 0 "[ . 1]" 1
96 1 13 THR MG 1 14 ALA H . . 3.470 2.733 2.671 2.796 . 0 0 "[ . 1]" 1
97 1 13 THR MG 1 14 ALA HA . . 3.640 3.110 3.069 3.155 . 0 0 "[ . 1]" 1
98 1 13 THR MG 1 17 ALA MB . . 3.270 3.441 3.415 3.494 0.224 6 0 "[ . 1]" 1
99 1 14 ALA H 1 14 ALA HA . . 2.940 2.800 2.780 2.813 . 0 0 "[ . 1]" 1
100 1 14 ALA H 1 14 ALA MB . . 2.650 2.085 2.072 2.089 . 0 0 "[ . 1]" 1
101 1 14 ALA H 1 15 VAL H . . 3.210 2.725 2.682 2.800 . 0 0 "[ . 1]" 1
102 1 14 ALA HA 1 17 ALA H . . 3.920 3.604 3.507 3.651 . 0 0 "[ . 1]" 1
103 1 14 ALA HA 1 17 ALA MB . . 3.550 2.657 2.517 2.826 . 0 0 "[ . 1]" 1
104 1 14 ALA MB 1 15 VAL H . . 2.840 2.792 2.632 2.870 0.030 9 0 "[ . 1]" 1
105 1 14 ALA MB 1 15 VAL QG . . 3.340 3.572 3.551 3.581 0.241 5 0 "[ . 1]" 1
106 1 15 VAL H 1 15 VAL HB . . 3.340 2.090 2.078 2.108 . 0 0 "[ . 1]" 1
107 1 15 VAL H 1 16 ILE H . . 3.110 2.925 2.805 3.035 . 0 0 "[ . 1]" 1
108 1 15 VAL HA 1 15 VAL QG . . 3.100 2.065 2.044 2.076 . 0 0 "[ . 1]" 1
109 1 15 VAL HB 1 16 ILE H . . 3.080 2.513 2.494 2.556 . 0 0 "[ . 1]" 1
110 1 15 VAL QG 2 12 GLU HA . . 4.000 3.334 3.306 3.436 . 0 0 "[ . 1]" 1
111 1 15 VAL QG 2 18 MET ME . . 4.000 2.975 2.818 3.048 . 0 0 "[ . 1]" 1
112 1 16 ILE H 1 16 ILE HB . . 2.930 2.308 2.294 2.335 . 0 0 "[ . 1]" 1
113 1 16 ILE H 1 17 ALA H . . 3.190 2.927 2.896 2.960 . 0 0 "[ . 1]" 1
114 1 16 ILE HB 1 17 ALA H . . 3.050 2.751 2.684 2.821 . 0 0 "[ . 1]" 1
115 1 16 ILE MD 2 12 GLU HA . . 4.500 5.201 5.116 5.230 0.730 5 10 [****+***-*] 1
116 1 16 ILE MG 1 17 ALA H . . 3.080 2.986 2.920 3.061 . 0 0 "[ . 1]" 1
117 1 17 ALA H 1 17 ALA MB . . 2.670 2.069 2.056 2.098 . 0 0 "[ . 1]" 1
118 1 17 ALA H 1 18 MET H . . 3.210 2.626 2.432 2.715 . 0 0 "[ . 1]" 1
119 1 17 ALA HA 1 20 PHE H . . 3.730 3.758 3.482 3.833 0.103 6 0 "[ . 1]" 1
120 1 17 ALA MB 1 18 MET H . . 2.860 2.695 2.563 2.861 0.001 9 0 "[ . 1]" 1
121 1 18 MET H 1 18 MET HB2 . . 2.790 2.469 2.226 2.880 0.090 6 0 "[ . 1]" 1
122 1 18 MET H 1 18 MET HB3 . . 3.890 3.550 3.502 3.570 . 0 0 "[ . 1]" 1
123 1 18 MET H 1 19 GLU H . . 3.030 2.788 2.737 2.815 . 0 0 "[ . 1]" 1
124 1 18 MET HB2 1 19 GLU H . . 3.010 2.269 2.215 2.475 . 0 0 "[ . 1]" 1
125 1 18 MET ME 2 15 VAL QG . . 4.000 2.972 2.826 3.051 . 0 0 "[ . 1]" 1
126 1 19 GLU H 1 19 GLU HA . . 2.840 2.737 2.719 2.829 . 0 0 "[ . 1]" 1
127 1 19 GLU H 1 19 GLU HB2 . . 2.760 2.650 2.361 2.776 0.016 7 0 "[ . 1]" 1
128 1 19 GLU H 1 20 PHE H . . 3.070 2.982 2.741 3.022 . 0 0 "[ . 1]" 1
129 1 19 GLU H 2 22 LEU QD . . 4.500 4.431 4.336 4.606 0.106 9 0 "[ . 1]" 1
130 1 19 GLU HA 1 22 LEU HB2 . . 4.170 2.731 2.022 2.843 . 0 0 "[ . 1]" 1
131 1 19 GLU HA 1 22 LEU QD . . 2.840 2.780 2.358 2.829 . 0 0 "[ . 1]" 1
132 1 20 PHE H 1 20 PHE HB2 . . 3.430 2.431 2.266 2.572 . 0 0 "[ . 1]" 1
133 1 20 PHE H 1 20 PHE HB3 . . 3.360 2.531 2.393 2.702 . 0 0 "[ . 1]" 1
134 1 20 PHE H 1 21 TRP H . . 2.920 2.608 2.544 3.027 0.107 9 0 "[ . 1]" 1
135 1 20 PHE HA 1 23 LEU H . . 3.690 3.787 3.725 3.894 0.204 9 0 "[ . 1]" 1
136 1 20 PHE HA 1 23 LEU HB2 . . 4.580 3.009 2.946 3.324 . 0 0 "[ . 1]" 1
137 1 20 PHE HA 1 23 LEU QD . . 3.370 3.427 3.403 3.460 0.090 9 0 "[ . 1]" 1
138 1 20 PHE QR 1 23 LEU QD . . 4.240 3.921 3.746 4.089 . 0 0 "[ . 1]" 1
139 1 20 PHE QR 1 24 LEU MD1 . . 3.710 2.645 2.408 2.820 . 0 0 "[ . 1]" 1
140 1 20 PHE HZ 1 24 LEU MD1 . . 3.710 2.766 2.433 3.258 . 0 0 "[ . 1]" 1
141 1 21 TRP H 1 21 TRP HA . . 2.860 2.869 2.816 2.884 0.024 8 0 "[ . 1]" 1
142 1 21 TRP H 1 21 TRP HB2 . . 2.800 3.171 3.111 3.478 0.678 9 1 "[ . +1]" 1
143 1 21 TRP H 1 21 TRP HB3 . . 2.810 2.034 2.017 2.148 . 0 0 "[ . 1]" 1
144 1 21 TRP H 1 22 LEU H . . 3.520 2.569 2.511 2.710 . 0 0 "[ . 1]" 1
145 1 21 TRP HA 1 24 LEU H . . 3.710 3.780 3.635 3.818 0.108 2 0 "[ . 1]" 1
146 1 21 TRP HA 1 24 LEU QB . . 4.060 2.650 2.473 2.739 . 0 0 "[ . 1]" 1
147 1 21 TRP HA 1 24 LEU MD2 . . 4.400 4.012 3.801 4.185 . 0 0 "[ . 1]" 1
148 1 21 TRP HA 1 25 VAL H . . 4.410 3.593 3.467 3.694 . 0 0 "[ . 1]" 1
149 1 21 TRP HZ2 2 23 LEU QD . . 4.000 4.096 4.056 4.124 0.124 8 0 "[ . 1]" 1
150 1 22 LEU HA 1 22 LEU QD . . 3.000 1.844 1.806 1.895 . 0 0 "[ . 1]" 1
151 1 22 LEU HA 1 25 VAL H . . 4.070 3.599 3.404 3.711 . 0 0 "[ . 1]" 1
152 1 22 LEU HA 1 25 VAL MG1 . . 4.420 3.492 3.364 3.708 . 0 0 "[ . 1]" 1
153 1 22 LEU HB3 1 22 LEU QD . . 2.970 2.057 2.013 2.087 . 0 0 "[ . 1]" 1
154 1 22 LEU QD 2 19 GLU H . . 4.500 4.430 4.335 4.601 0.101 9 0 "[ . 1]" 1
155 1 23 LEU H 1 23 LEU HB2 . . 2.770 2.161 2.146 2.229 . 0 0 "[ . 1]" 1
156 1 23 LEU H 1 23 LEU HB3 . . 3.820 3.491 3.483 3.525 . 0 0 "[ . 1]" 1
157 1 23 LEU H 1 23 LEU HG . . 3.170 2.788 2.621 2.830 . 0 0 "[ . 1]" 1
158 1 23 LEU HA 1 23 LEU QD . . 3.070 2.189 2.118 2.261 . 0 0 "[ . 1]" 1
159 1 23 LEU HA 1 26 ILE H . . 3.720 3.889 3.754 3.967 0.247 8 0 "[ . 1]" 1
160 1 23 LEU HA 1 26 ILE HB . . 4.130 3.123 2.889 3.214 . 0 0 "[ . 1]" 1
161 1 23 LEU HA 1 26 ILE MD . . 3.420 2.540 2.282 2.658 . 0 0 "[ . 1]" 1
162 1 23 LEU HA 2 26 ILE MG . . 3.500 3.612 3.577 3.634 0.134 7 0 "[ . 1]" 1
163 1 23 LEU HB2 1 23 LEU QD . . 3.130 2.134 2.117 2.143 . 0 0 "[ . 1]" 1
164 1 23 LEU HB2 1 24 LEU H . . 3.270 2.617 2.545 2.712 . 0 0 "[ . 1]" 1
165 1 23 LEU QD 2 21 TRP HZ2 . . 4.000 4.096 4.050 4.129 0.129 8 0 "[ . 1]" 1
166 1 24 LEU H 1 24 LEU QB . . 2.850 2.127 2.019 2.163 . 0 0 "[ . 1]" 1
167 1 24 LEU HA 1 24 LEU MD1 . . 3.860 3.477 3.427 3.509 . 0 0 "[ . 1]" 1
168 1 24 LEU HA 1 25 VAL H . . 3.610 3.586 3.570 3.601 . 0 0 "[ . 1]" 1
169 1 24 LEU HA 1 27 ILE H . . 3.560 3.606 3.566 3.747 0.187 9 0 "[ . 1]" 1
170 1 24 LEU HA 1 27 ILE MD . . 3.270 2.079 2.016 2.192 . 0 0 "[ . 1]" 1
171 1 24 LEU HA 1 27 ILE MG . . 3.970 3.182 3.112 3.359 . 0 0 "[ . 1]" 1
172 1 24 LEU HA 1 28 LEU H . . 3.950 3.957 3.914 3.996 0.046 1 0 "[ . 1]" 1
173 1 24 LEU QB 1 25 VAL H . . 2.880 2.536 2.392 2.649 . 0 0 "[ . 1]" 1
174 1 24 LEU MD2 1 28 LEU HG . . 3.810 2.729 2.506 2.978 . 0 0 "[ . 1]" 1
175 1 24 LEU HG 1 27 ILE MD . . 3.500 3.574 3.506 3.608 0.108 1 0 "[ . 1]" 1
176 1 25 VAL H 1 25 VAL HB . . 2.910 2.148 2.125 2.186 . 0 0 "[ . 1]" 1
177 1 25 VAL H 1 25 VAL MG2 . . 2.710 2.668 2.565 2.756 0.046 9 0 "[ . 1]" 1
178 1 25 VAL HA 1 25 VAL MG2 . . 3.420 2.197 2.171 2.216 . 0 0 "[ . 1]" 1
179 1 25 VAL HA 1 28 LEU H . . 3.440 3.312 3.286 3.333 . 0 0 "[ . 1]" 1
180 1 25 VAL HA 1 28 LEU HB3 . . 4.280 4.359 4.304 4.382 0.102 6 0 "[ . 1]" 1
181 1 25 VAL HA 1 28 LEU MD1 . . 3.290 3.311 3.288 3.325 0.035 8 0 "[ . 1]" 1
182 1 25 VAL MG2 1 29 ARG HD2 . . 3.520 3.555 3.531 3.564 0.044 1 0 "[ . 1]" 1
183 1 25 VAL MG2 1 29 ARG HG3 . . 3.770 3.911 3.839 3.940 0.170 6 0 "[ . 1]" 1
184 1 26 ILE H 1 26 ILE HB . . 2.670 2.732 2.705 2.750 0.080 9 0 "[ . 1]" 1
185 1 26 ILE H 1 26 ILE HG12 . . 3.080 3.146 3.128 3.182 0.102 8 0 "[ . 1]" 1
186 1 26 ILE H 1 26 ILE HG13 . . 2.970 1.537 1.512 1.584 . 0 0 "[ . 1]" 1
187 1 26 ILE H 1 27 ILE H . . 3.000 2.720 2.700 2.757 . 0 0 "[ . 1]" 1
188 1 26 ILE HA 1 26 ILE MD . . 3.950 3.940 3.927 3.948 . 0 0 "[ . 1]" 1
189 1 26 ILE HA 1 26 ILE MG . . 3.140 2.244 2.225 2.270 . 0 0 "[ . 1]" 1
190 1 26 ILE HA 1 29 ARG H . . 3.910 3.728 3.658 3.813 . 0 0 "[ . 1]" 1
191 1 26 ILE HA 1 29 ARG HB2 . . 3.960 2.676 2.646 2.735 . 0 0 "[ . 1]" 1
192 1 26 ILE HB 1 26 ILE MD . . 2.940 2.198 2.100 2.218 . 0 0 "[ . 1]" 1
193 1 26 ILE HG13 1 26 ILE MG . . 3.230 3.136 3.124 3.143 . 0 0 "[ . 1]" 1
194 1 26 ILE MG 1 30 THR HG1 . . 3.410 2.739 1.961 3.112 . 0 0 "[ . 1]" 1
195 1 26 ILE MG 1 30 THR MG . . 3.890 3.890 3.813 3.961 0.071 9 0 "[ . 1]" 1
196 1 26 ILE MG 2 23 LEU HA . . 3.500 3.611 3.573 3.629 0.129 7 0 "[ . 1]" 1
197 1 26 ILE MG 2 30 THR MG . . 3.500 3.681 3.616 3.740 0.240 8 0 "[ . 1]" 1
198 1 27 ILE H 1 27 ILE HA . . 2.970 2.911 2.908 2.917 . 0 0 "[ . 1]" 1
199 1 27 ILE H 1 27 ILE HB . . 2.560 2.184 2.165 2.209 . 0 0 "[ . 1]" 1
200 1 27 ILE HA 1 27 ILE MD . . 3.850 3.751 3.739 3.764 . 0 0 "[ . 1]" 1
201 1 27 ILE HA 1 27 ILE MG . . 2.770 2.534 2.498 2.572 . 0 0 "[ . 1]" 1
202 1 27 ILE HA 1 28 LEU H . . 3.500 3.592 3.580 3.605 0.105 8 0 "[ . 1]" 1
203 1 27 ILE HA 1 30 THR H . . 3.860 3.867 3.812 3.897 0.037 8 0 "[ . 1]" 1
204 1 27 ILE HA 1 30 THR MG . . 3.820 3.951 3.890 4.043 0.223 8 0 "[ . 1]" 1
205 1 27 ILE HA 1 31 VAL H . . 3.900 3.608 3.477 3.663 . 0 0 "[ . 1]" 1
206 1 27 ILE HA 1 31 VAL MG2 . . 3.560 3.406 3.279 3.448 . 0 0 "[ . 1]" 1
207 1 27 ILE HB 1 27 ILE MD . . 2.970 2.072 2.053 2.103 . 0 0 "[ . 1]" 1
208 1 27 ILE HG12 1 27 ILE MG . . 2.770 2.241 2.210 2.269 . 0 0 "[ . 1]" 1
209 1 27 ILE MG 1 28 LEU HA . . 3.310 3.164 3.049 3.279 . 0 0 "[ . 1]" 1
210 1 28 LEU H 1 28 LEU HA . . 2.960 2.880 2.854 2.896 . 0 0 "[ . 1]" 1
211 1 28 LEU H 1 28 LEU HB2 . . 2.570 2.125 2.121 2.135 . 0 0 "[ . 1]" 1
212 1 28 LEU H 1 28 LEU HB3 . . 3.910 3.465 3.461 3.476 . 0 0 "[ . 1]" 1
213 1 28 LEU H 1 29 ARG H . . 3.530 2.616 2.552 2.688 . 0 0 "[ . 1]" 1
214 1 28 LEU HA 1 28 LEU MD1 . . 3.940 3.726 3.723 3.729 . 0 0 "[ . 1]" 1
215 1 28 LEU HA 1 28 LEU MD2 . . 2.810 2.113 1.947 2.267 . 0 0 "[ . 1]" 1
216 1 28 LEU HA 1 31 VAL HB . . 3.930 2.485 2.399 2.545 . 0 0 "[ . 1]" 1
217 1 28 LEU HB3 1 28 LEU MD1 . . 2.540 2.566 2.531 2.592 0.052 6 0 "[ . 1]" 1
218 1 28 LEU HB3 1 28 LEU MD2 . . 3.020 2.199 2.087 2.308 . 0 0 "[ . 1]" 1
219 1 28 LEU MD2 1 32 LYS QE . . 3.500 2.843 2.284 3.408 . 0 0 "[ . 1]" 1
220 1 29 ARG H 1 30 THR H . . 3.010 2.784 2.752 2.835 . 0 0 "[ . 1]" 1
221 1 29 ARG HA 1 33 ARG H . . 4.330 4.421 4.363 4.475 0.145 10 0 "[ . 1]" 1
222 1 30 THR H 1 30 THR HA . . 2.800 2.838 2.816 2.850 0.050 10 0 "[ . 1]" 1
223 1 30 THR H 1 30 THR HB . . 2.960 2.321 2.300 2.373 . 0 0 "[ . 1]" 1
224 1 30 THR H 1 30 THR HG1 . . 2.990 2.602 2.189 2.970 . 0 0 "[ . 1]" 1
225 1 30 THR H 1 31 VAL H . . 2.810 2.785 2.762 2.822 0.012 9 0 "[ . 1]" 1
226 1 30 THR HA 1 30 THR MG . . 2.760 2.409 2.358 2.427 . 0 0 "[ . 1]" 1
227 1 30 THR HA 1 33 ARG HB2 . . 4.090 3.466 2.339 3.705 . 0 0 "[ . 1]" 1
228 1 30 THR HA 1 33 ARG HB3 . . 3.540 2.230 1.789 3.709 0.169 7 0 "[ . 1]" 1
229 1 30 THR HA 1 34 ALA H . . 4.850 4.691 4.361 4.824 . 0 0 "[ . 1]" 1
230 1 30 THR HB 1 31 VAL H . . 3.240 2.411 2.378 2.479 . 0 0 "[ . 1]" 1
231 1 30 THR HB 1 31 VAL MG2 . . 3.580 3.586 3.562 3.656 0.076 8 0 "[ . 1]" 1
232 1 30 THR HG1 1 31 VAL H . . 4.720 4.369 4.150 4.506 . 0 0 "[ . 1]" 1
233 1 30 THR MG 1 31 VAL H . . 3.450 2.999 2.956 3.139 . 0 0 "[ . 1]" 1
234 1 30 THR MG 1 33 ARG QB . . 3.180 3.227 2.733 3.397 0.217 10 0 "[ . 1]" 1
235 1 30 THR MG 1 33 ARG QD . . 3.900 3.623 2.183 3.932 0.032 7 0 "[ . 1]" 1
236 1 30 THR MG 1 33 ARG HG3 . . 3.320 3.194 2.999 3.651 0.331 7 0 "[ . 1]" 1
237 1 30 THR MG 2 26 ILE MG . . 3.500 3.679 3.604 3.742 0.242 8 0 "[ . 1]" 1
238 1 31 VAL H 1 31 VAL HB . . 2.930 2.340 2.298 2.364 . 0 0 "[ . 1]" 1
239 1 31 VAL H 1 32 LYS H . . 3.130 2.912 2.864 2.953 . 0 0 "[ . 1]" 1
240 1 31 VAL HA 1 31 VAL MG1 . . 2.660 2.525 2.502 2.578 . 0 0 "[ . 1]" 1
241 1 31 VAL HA 1 31 VAL MG2 . . 2.990 2.251 2.227 2.262 . 0 0 "[ . 1]" 1
242 1 31 VAL HA 1 32 LYS H . . 3.510 3.583 3.554 3.600 0.090 9 0 "[ . 1]" 1
243 1 31 VAL HA 1 33 ARG H . . 4.790 4.371 4.331 4.466 . 0 0 "[ . 1]" 1
244 1 31 VAL HA 1 34 ALA H . . 4.840 3.807 3.756 3.905 . 0 0 "[ . 1]" 1
245 1 31 VAL HA 1 34 ALA MB . . 3.170 3.249 3.212 3.291 0.121 10 0 "[ . 1]" 1
246 1 31 VAL HB 1 32 LYS H . . 3.450 2.710 2.576 2.884 . 0 0 "[ . 1]" 1
247 1 31 VAL MG1 1 32 LYS HA . . 3.140 3.125 3.066 3.149 0.009 10 0 "[ . 1]" 1
248 1 31 VAL MG1 1 32 LYS HG3 . . 3.000 2.980 2.899 3.004 0.004 2 0 "[ . 1]" 1
249 1 31 VAL MG1 1 35 ASN HD22 . . 4.850 4.012 3.544 4.442 . 0 0 "[ . 1]" 1
250 1 32 LYS HA 1 35 ASN HB3 . . 4.140 4.123 3.965 4.146 0.006 8 0 "[ . 1]" 1
251 1 32 LYS HG3 1 35 ASN HD22 . . 5.220 4.816 3.308 5.219 . 0 0 "[ . 1]" 1
252 1 33 ARG H 1 34 ALA H . . 3.380 2.763 2.712 2.788 . 0 0 "[ . 1]" 1
253 1 33 ARG HA 1 36 GLY H . . 4.930 3.662 2.957 4.183 . 0 0 "[ . 1]" 1
254 1 34 ALA H 1 34 ALA MB . . 3.230 2.004 1.985 2.031 . 0 0 "[ . 1]" 1
255 1 34 ALA HA 1 37 GLY H . . 5.410 4.876 3.794 5.413 0.003 10 0 "[ . 1]" 1
256 1 34 ALA MB 1 35 ASN H . . 3.400 2.679 2.188 2.900 . 0 0 "[ . 1]" 1
257 1 35 ASN H 1 35 ASN HB3 . . 3.990 3.250 2.263 3.507 . 0 0 "[ . 1]" 1
258 2 1 GLU H1 2 1 GLU QG . . 3.320 2.740 2.087 3.123 . 0 0 "[ . 1]" 1
259 2 1 GLU H1 2 5 LEU QD . . 4.580 4.435 4.405 4.466 . 0 0 "[ . 1]" 1
260 2 1 GLU HA 2 2 LYS H . . 2.750 2.249 2.163 2.409 . 0 0 "[ . 1]" 1
261 2 2 LYS H 2 2 LYS QB . . 2.690 2.195 2.141 2.228 . 0 0 "[ . 1]" 1
262 2 2 LYS H 2 3 THR H . . 3.220 2.561 2.457 2.744 . 0 0 "[ . 1]" 1
263 2 2 LYS QB 2 3 THR H . . 3.000 2.988 2.944 3.005 0.005 4 0 "[ . 1]" 1
264 2 2 LYS HG3 2 5 LEU QD . . 3.120 2.069 1.866 2.507 . 0 0 "[ . 1]" 1
265 2 3 THR H 2 3 THR HB . . 3.180 2.658 2.589 2.730 . 0 0 "[ . 1]" 1
266 2 3 THR H 2 3 THR HG1 . . 3.340 2.252 1.744 2.886 . 0 0 "[ . 1]" 1
267 2 3 THR H 2 4 ASN H . . 3.400 2.917 2.819 2.978 . 0 0 "[ . 1]" 1
268 2 3 THR HA 2 3 THR MG . . 2.840 2.274 2.238 2.322 . 0 0 "[ . 1]" 1
269 2 3 THR HA 2 6 GLU HB2 . . 4.240 2.655 2.483 2.769 . 0 0 "[ . 1]" 1
270 2 3 THR HA 2 7 ILE MD . . 4.160 4.042 3.976 4.118 . 0 0 "[ . 1]" 1
271 2 3 THR HB 2 7 ILE MD . . 3.840 3.761 3.672 3.835 . 0 0 "[ . 1]" 1
272 2 3 THR MG 2 6 GLU HB2 . . 3.390 3.140 3.102 3.165 . 0 0 "[ . 1]" 1
273 2 3 THR MG 2 6 GLU HG3 . . 3.850 3.879 3.871 3.887 0.037 1 0 "[ . 1]" 1
274 2 3 THR MG 2 7 ILE MD . . 2.590 2.156 2.096 2.292 . 0 0 "[ . 1]" 1
275 2 3 THR MG 2 7 ILE QG . . 3.180 3.123 3.115 3.144 . 0 0 "[ . 1]" 1
276 2 4 ASN H 2 4 ASN HB2 . . 3.550 2.024 2.015 2.029 . 0 0 "[ . 1]" 1
277 2 4 ASN H 2 4 ASN HB3 . . 3.200 3.269 3.255 3.285 0.085 6 0 "[ . 1]" 1
278 2 4 ASN HA 2 7 ILE HB . . 3.900 2.957 2.859 3.073 . 0 0 "[ . 1]" 1
279 2 4 ASN HA 2 7 ILE MD . . 3.180 2.574 2.541 2.588 . 0 0 "[ . 1]" 1
280 2 4 ASN HA 2 7 ILE MG . . 4.540 4.282 4.185 4.377 . 0 0 "[ . 1]" 1
281 2 4 ASN HB2 2 5 LEU QD . . 4.400 4.115 4.090 4.129 . 0 0 "[ . 1]" 1
282 2 4 ASN HB2 2 7 ILE MD . . 4.780 4.801 4.788 4.807 0.027 6 0 "[ . 1]" 1
283 2 4 ASN HB3 2 5 LEU H . . 3.040 2.451 2.408 2.506 . 0 0 "[ . 1]" 1
284 2 4 ASN HB3 2 5 LEU QD . . 3.990 3.251 3.174 3.337 . 0 0 "[ . 1]" 1
285 2 5 LEU HA 2 5 LEU QD . . 3.560 2.258 2.236 2.306 . 0 0 "[ . 1]" 1
286 2 5 LEU HA 2 6 GLU H . . 3.440 3.611 3.608 3.612 0.172 5 0 "[ . 1]" 1
287 2 5 LEU HA 2 8 ILE HB . . 4.140 2.179 2.146 2.239 . 0 0 "[ . 1]" 1
288 2 5 LEU HA 2 8 ILE MD . . 3.380 1.718 1.704 1.736 . 0 0 "[ . 1]" 1
289 2 6 GLU H 2 6 GLU HB3 . . 3.900 3.580 3.577 3.581 . 0 0 "[ . 1]" 1
290 2 6 GLU H 2 6 GLU HG2 . . 3.070 1.977 1.917 2.035 . 0 0 "[ . 1]" 1
291 2 6 GLU H 2 6 GLU HG3 . . 3.090 2.798 2.734 2.864 . 0 0 "[ . 1]" 1
292 2 6 GLU H 2 7 ILE H . . 2.970 2.904 2.879 2.932 . 0 0 "[ . 1]" 1
293 2 6 GLU HB3 2 7 ILE MD . . 5.030 5.091 5.079 5.117 0.087 5 0 "[ . 1]" 1
294 2 7 ILE H 2 7 ILE HA . . 2.920 2.900 2.884 2.916 . 0 0 "[ . 1]" 1
295 2 7 ILE H 2 7 ILE HB . . 2.630 2.319 2.295 2.341 . 0 0 "[ . 1]" 1
296 2 7 ILE H 2 7 ILE QG . . 2.570 2.494 2.402 2.553 . 0 0 "[ . 1]" 1
297 2 7 ILE HA 2 7 ILE MG . . 2.920 2.401 2.378 2.442 . 0 0 "[ . 1]" 1
298 2 7 ILE HA 2 10 LEU H . . 3.620 3.334 3.282 3.430 . 0 0 "[ . 1]" 1
299 2 7 ILE HA 2 10 LEU HB2 . . 4.220 2.422 2.352 2.565 . 0 0 "[ . 1]" 1
300 2 7 ILE HA 2 10 LEU MD1 . . 3.120 3.024 2.931 3.110 . 0 0 "[ . 1]" 1
301 2 7 ILE HB 2 7 ILE MD . . 2.730 2.079 2.052 2.153 . 0 0 "[ . 1]" 1
302 2 7 ILE QG 2 7 ILE MG . . 2.950 2.159 2.154 2.161 . 0 0 "[ . 1]" 1
303 2 7 ILE QG 2 11 VAL QG . . 4.260 3.981 3.957 3.995 . 0 0 "[ . 1]" 1
304 2 7 ILE MG 2 8 ILE HA . . 3.470 3.341 3.280 3.373 . 0 0 "[ . 1]" 1
305 2 8 ILE H 2 8 ILE HB . . 2.650 2.482 2.445 2.496 . 0 0 "[ . 1]" 1
306 2 8 ILE HA 2 8 ILE MD . . 3.840 3.846 3.833 3.855 0.015 7 0 "[ . 1]" 1
307 2 8 ILE HA 2 8 ILE MG . . 3.550 2.412 2.397 2.443 . 0 0 "[ . 1]" 1
308 2 8 ILE HB 2 8 ILE MD . . 2.980 2.129 2.087 2.169 . 0 0 "[ . 1]" 1
309 2 8 ILE HG13 2 8 ILE MG . . 3.410 3.145 3.132 3.164 . 0 0 "[ . 1]" 1
310 2 8 ILE MG 2 9 ILE HA . . 3.660 3.635 3.547 3.686 0.026 9 0 "[ . 1]" 1
311 2 9 ILE H 2 10 LEU H . . 3.250 2.651 2.615 2.685 . 0 0 "[ . 1]" 1
312 2 9 ILE HA 2 12 GLU H . . 3.760 3.371 3.268 3.481 . 0 0 "[ . 1]" 1
313 2 9 ILE MG 2 13 THR HG1 . . 3.490 3.289 3.178 3.419 . 0 0 "[ . 1]" 1
314 2 10 LEU HA 2 10 LEU MD1 . . 3.810 3.692 3.665 3.726 . 0 0 "[ . 1]" 1
315 2 10 LEU HA 2 13 THR H . . 3.720 3.629 3.601 3.647 . 0 0 "[ . 1]" 1
316 2 10 LEU QB 2 13 THR MG . . 5.100 5.104 5.059 5.126 0.026 4 0 "[ . 1]" 1
317 2 10 LEU HB2 2 10 LEU MD1 . . 3.290 2.403 2.298 2.456 . 0 0 "[ . 1]" 1
318 2 10 LEU MD2 2 13 THR HG1 . . 3.850 3.837 3.785 3.867 0.017 6 0 "[ . 1]" 1
319 2 11 VAL H 2 11 VAL HA . . 2.800 2.833 2.812 2.851 0.051 5 0 "[ . 1]" 1
320 2 11 VAL H 2 11 VAL HB . . 2.660 2.559 2.493 2.633 . 0 0 "[ . 1]" 1
321 2 11 VAL H 2 11 VAL QG . . 2.570 1.928 1.811 2.060 . 0 0 "[ . 1]" 1
322 2 11 VAL H 2 12 GLU H . . 2.980 2.736 2.656 2.802 . 0 0 "[ . 1]" 1
323 2 11 VAL HA 2 11 VAL QG . . 2.770 2.106 2.092 2.119 . 0 0 "[ . 1]" 1
324 2 11 VAL HA 2 14 ALA H . . 3.710 3.514 3.434 3.593 . 0 0 "[ . 1]" 1
325 2 11 VAL HA 2 14 ALA MB . . 3.570 2.825 2.772 2.881 . 0 0 "[ . 1]" 1
326 2 11 VAL HB 2 12 GLU H . . 2.990 2.452 2.400 2.549 . 0 0 "[ . 1]" 1
327 2 11 VAL QG 2 12 GLU H . . 3.550 3.195 3.159 3.231 . 0 0 "[ . 1]" 1
328 2 11 VAL QG 2 12 GLU HA . . 3.700 3.578 3.460 3.660 . 0 0 "[ . 1]" 1
329 2 11 VAL QG 2 14 ALA MB . . 3.810 3.334 3.258 3.384 . 0 0 "[ . 1]" 1
330 2 12 GLU H 2 12 GLU QB . . 2.700 2.257 2.178 2.414 . 0 0 "[ . 1]" 1
331 2 12 GLU H 2 12 GLU QG . . 2.840 2.557 2.224 2.710 . 0 0 "[ . 1]" 1
332 2 12 GLU H 2 13 THR H . . 2.890 2.918 2.894 2.951 0.061 9 0 "[ . 1]" 1
333 2 12 GLU HA 2 15 VAL H . . 3.470 3.492 3.411 3.545 0.075 5 0 "[ . 1]" 1
334 2 12 GLU HA 2 15 VAL QG . . 3.540 2.719 2.685 2.819 . 0 0 "[ . 1]" 1
335 2 12 GLU QG 2 16 ILE MD . . 5.500 4.339 3.958 4.900 . 0 0 "[ . 1]" 1
336 2 13 THR H 2 13 THR HA . . 2.770 2.815 2.795 2.824 0.054 4 0 "[ . 1]" 1
337 2 13 THR H 2 13 THR HG1 . . 2.700 2.682 2.611 2.713 0.013 6 0 "[ . 1]" 1
338 2 13 THR H 2 14 ALA H . . 2.940 2.926 2.893 2.978 0.038 9 0 "[ . 1]" 1
339 2 13 THR HA 2 13 THR MG . . 3.410 2.510 2.494 2.524 . 0 0 "[ . 1]" 1
340 2 13 THR HA 2 16 ILE H . . 3.750 3.769 3.720 3.797 0.047 5 0 "[ . 1]" 1
341 2 13 THR HA 2 16 ILE MD . . 5.500 3.790 3.669 3.884 . 0 0 "[ . 1]" 1
342 2 13 THR HB 2 14 ALA H . . 3.380 2.363 2.342 2.394 . 0 0 "[ . 1]" 1
343 2 13 THR MG 2 14 ALA H . . 3.470 2.740 2.674 2.791 . 0 0 "[ . 1]" 1
344 2 13 THR MG 2 14 ALA HA . . 3.640 3.112 3.071 3.152 . 0 0 "[ . 1]" 1
345 2 13 THR MG 2 17 ALA MB . . 3.270 3.438 3.413 3.485 0.215 6 0 "[ . 1]" 1
346 2 14 ALA H 2 14 ALA HA . . 2.940 2.799 2.781 2.813 . 0 0 "[ . 1]" 1
347 2 14 ALA H 2 14 ALA MB . . 2.650 2.084 2.072 2.090 . 0 0 "[ . 1]" 1
348 2 14 ALA H 2 15 VAL H . . 3.210 2.728 2.682 2.803 . 0 0 "[ . 1]" 1
349 2 14 ALA HA 2 17 ALA H . . 3.920 3.601 3.507 3.652 . 0 0 "[ . 1]" 1
350 2 14 ALA HA 2 17 ALA MB . . 3.550 2.656 2.518 2.827 . 0 0 "[ . 1]" 1
351 2 14 ALA MB 2 15 VAL H . . 2.840 2.788 2.626 2.870 0.030 9 0 "[ . 1]" 1
352 2 14 ALA MB 2 15 VAL QG . . 3.340 3.573 3.550 3.581 0.241 3 0 "[ . 1]" 1
353 2 15 VAL H 2 15 VAL HB . . 3.340 2.090 2.077 2.107 . 0 0 "[ . 1]" 1
354 2 15 VAL H 2 16 ILE H . . 3.110 2.926 2.802 3.037 . 0 0 "[ . 1]" 1
355 2 15 VAL HA 2 15 VAL QG . . 3.100 2.064 2.044 2.077 . 0 0 "[ . 1]" 1
356 2 15 VAL HB 2 16 ILE H . . 3.080 2.514 2.493 2.558 . 0 0 "[ . 1]" 1
357 2 16 ILE H 2 16 ILE HB . . 2.930 2.309 2.295 2.334 . 0 0 "[ . 1]" 1
358 2 16 ILE H 2 17 ALA H . . 3.190 2.928 2.895 2.960 . 0 0 "[ . 1]" 1
359 2 16 ILE HB 2 17 ALA H . . 3.050 2.749 2.685 2.823 . 0 0 "[ . 1]" 1
360 2 16 ILE MG 2 17 ALA H . . 3.080 2.987 2.921 3.061 . 0 0 "[ . 1]" 1
361 2 17 ALA H 2 17 ALA MB . . 2.670 2.069 2.056 2.097 . 0 0 "[ . 1]" 1
362 2 17 ALA H 2 18 MET H . . 3.210 2.626 2.431 2.715 . 0 0 "[ . 1]" 1
363 2 17 ALA HA 2 20 PHE H . . 3.730 3.757 3.482 3.831 0.101 6 0 "[ . 1]" 1
364 2 17 ALA MB 2 18 MET H . . 2.860 2.696 2.564 2.860 . 0 0 "[ . 1]" 1
365 2 18 MET H 2 18 MET HB2 . . 2.790 2.470 2.228 2.878 0.088 6 0 "[ . 1]" 1
366 2 18 MET H 2 18 MET HB3 . . 3.890 3.551 3.504 3.570 . 0 0 "[ . 1]" 1
367 2 18 MET H 2 19 GLU H . . 3.030 2.786 2.737 2.814 . 0 0 "[ . 1]" 1
368 2 18 MET HB2 2 19 GLU H . . 3.010 2.269 2.216 2.477 . 0 0 "[ . 1]" 1
369 2 19 GLU H 2 19 GLU HA . . 2.840 2.737 2.718 2.830 . 0 0 "[ . 1]" 1
370 2 19 GLU H 2 19 GLU HB2 . . 2.760 2.650 2.354 2.773 0.013 4 0 "[ . 1]" 1
371 2 19 GLU H 2 20 PHE H . . 3.070 2.981 2.740 3.022 . 0 0 "[ . 1]" 1
372 2 19 GLU HA 2 22 LEU HB2 . . 4.170 2.731 2.020 2.845 . 0 0 "[ . 1]" 1
373 2 19 GLU HA 2 22 LEU QD . . 2.840 2.779 2.362 2.829 . 0 0 "[ . 1]" 1
374 2 20 PHE H 2 20 PHE HB2 . . 3.430 2.431 2.264 2.572 . 0 0 "[ . 1]" 1
375 2 20 PHE H 2 20 PHE HB3 . . 3.360 2.531 2.393 2.703 . 0 0 "[ . 1]" 1
376 2 20 PHE H 2 21 TRP H . . 2.920 2.608 2.542 3.026 0.106 9 0 "[ . 1]" 1
377 2 20 PHE HA 2 23 LEU H . . 3.690 3.786 3.725 3.891 0.201 9 0 "[ . 1]" 1
378 2 20 PHE HA 2 23 LEU HB2 . . 4.580 3.008 2.939 3.321 . 0 0 "[ . 1]" 1
379 2 20 PHE HA 2 23 LEU QD . . 3.370 3.427 3.402 3.459 0.089 6 0 "[ . 1]" 1
380 2 20 PHE QR 2 23 LEU QD . . 4.240 3.920 3.748 4.085 . 0 0 "[ . 1]" 1
381 2 20 PHE QR 2 24 LEU MD1 . . 3.710 2.644 2.414 2.811 . 0 0 "[ . 1]" 1
382 2 20 PHE HZ 2 24 LEU MD1 . . 3.710 2.763 2.432 3.265 . 0 0 "[ . 1]" 1
383 2 21 TRP H 2 21 TRP HA . . 2.860 2.868 2.817 2.881 0.021 8 0 "[ . 1]" 1
384 2 21 TRP H 2 21 TRP HB2 . . 2.800 3.171 3.111 3.478 0.678 9 1 "[ . +1]" 1
385 2 21 TRP H 2 21 TRP HB3 . . 2.810 2.034 2.017 2.149 . 0 0 "[ . 1]" 1
386 2 21 TRP H 2 22 LEU H . . 3.520 2.570 2.516 2.709 . 0 0 "[ . 1]" 1
387 2 21 TRP HA 2 24 LEU H . . 3.710 3.780 3.633 3.819 0.109 2 0 "[ . 1]" 1
388 2 21 TRP HA 2 24 LEU QB . . 4.060 2.651 2.474 2.739 . 0 0 "[ . 1]" 1
389 2 21 TRP HA 2 24 LEU MD2 . . 4.400 4.015 3.809 4.187 . 0 0 "[ . 1]" 1
390 2 21 TRP HA 2 25 VAL H . . 4.410 3.595 3.467 3.691 . 0 0 "[ . 1]" 1
391 2 22 LEU HA 2 22 LEU QD . . 3.000 1.845 1.802 1.896 . 0 0 "[ . 1]" 1
392 2 22 LEU HA 2 25 VAL H . . 4.070 3.598 3.406 3.710 . 0 0 "[ . 1]" 1
393 2 22 LEU HA 2 25 VAL MG1 . . 4.420 3.491 3.361 3.705 . 0 0 "[ . 1]" 1
394 2 22 LEU HB3 2 22 LEU QD . . 2.970 2.057 2.014 2.086 . 0 0 "[ . 1]" 1
395 2 23 LEU H 2 23 LEU HB2 . . 2.770 2.160 2.145 2.229 . 0 0 "[ . 1]" 1
396 2 23 LEU H 2 23 LEU HB3 . . 3.820 3.491 3.482 3.525 . 0 0 "[ . 1]" 1
397 2 23 LEU H 2 23 LEU HG . . 3.170 2.789 2.620 2.830 . 0 0 "[ . 1]" 1
398 2 23 LEU HA 2 23 LEU QD . . 3.070 2.188 2.117 2.257 . 0 0 "[ . 1]" 1
399 2 23 LEU HA 2 26 ILE H . . 3.720 3.889 3.751 3.970 0.250 8 0 "[ . 1]" 1
400 2 23 LEU HA 2 26 ILE HB . . 4.130 3.125 2.890 3.215 . 0 0 "[ . 1]" 1
401 2 23 LEU HA 2 26 ILE MD . . 3.420 2.542 2.285 2.675 . 0 0 "[ . 1]" 1
402 2 23 LEU HB2 2 23 LEU QD . . 3.130 2.134 2.119 2.148 . 0 0 "[ . 1]" 1
403 2 23 LEU HB2 2 24 LEU H . . 3.270 2.617 2.545 2.709 . 0 0 "[ . 1]" 1
404 2 24 LEU H 2 24 LEU QB . . 2.850 2.126 2.019 2.163 . 0 0 "[ . 1]" 1
405 2 24 LEU HA 2 24 LEU MD1 . . 3.860 3.476 3.422 3.509 . 0 0 "[ . 1]" 1
406 2 24 LEU HA 2 25 VAL H . . 3.610 3.585 3.571 3.600 . 0 0 "[ . 1]" 1
407 2 24 LEU HA 2 27 ILE H . . 3.560 3.607 3.565 3.748 0.188 9 0 "[ . 1]" 1
408 2 24 LEU HA 2 27 ILE MD . . 3.270 2.081 2.015 2.189 . 0 0 "[ . 1]" 1
409 2 24 LEU HA 2 27 ILE MG . . 3.970 3.183 3.111 3.364 . 0 0 "[ . 1]" 1
410 2 24 LEU HA 2 28 LEU H . . 3.950 3.953 3.878 3.995 0.045 1 0 "[ . 1]" 1
411 2 24 LEU QB 2 25 VAL H . . 2.880 2.538 2.393 2.653 . 0 0 "[ . 1]" 1
412 2 24 LEU MD2 2 28 LEU HG . . 3.810 2.734 2.511 2.981 . 0 0 "[ . 1]" 1
413 2 24 LEU HG 2 27 ILE MD . . 3.500 3.572 3.503 3.607 0.107 1 0 "[ . 1]" 1
414 2 25 VAL H 2 25 VAL HB . . 2.910 2.149 2.126 2.186 . 0 0 "[ . 1]" 1
415 2 25 VAL H 2 25 VAL MG2 . . 2.710 2.667 2.568 2.758 0.048 9 0 "[ . 1]" 1
416 2 25 VAL HA 2 25 VAL MG2 . . 3.420 2.197 2.171 2.215 . 0 0 "[ . 1]" 1
417 2 25 VAL HA 2 28 LEU H . . 3.440 3.316 3.287 3.363 . 0 0 "[ . 1]" 1
418 2 25 VAL HA 2 28 LEU HB3 . . 4.280 4.361 4.296 4.383 0.103 1 0 "[ . 1]" 1
419 2 25 VAL HA 2 28 LEU MD1 . . 3.290 3.314 3.293 3.329 0.039 10 0 "[ . 1]" 1
420 2 25 VAL MG2 2 29 ARG HD2 . . 3.520 3.556 3.532 3.566 0.046 5 0 "[ . 1]" 1
421 2 25 VAL MG2 2 29 ARG HG3 . . 3.770 3.910 3.839 3.943 0.173 6 0 "[ . 1]" 1
422 2 26 ILE H 2 26 ILE HB . . 2.670 2.733 2.704 2.749 0.079 9 0 "[ . 1]" 1
423 2 26 ILE H 2 26 ILE HG12 . . 3.080 3.145 3.128 3.181 0.101 8 0 "[ . 1]" 1
424 2 26 ILE H 2 26 ILE HG13 . . 2.970 1.536 1.513 1.586 . 0 0 "[ . 1]" 1
425 2 26 ILE H 2 27 ILE H . . 3.000 2.720 2.702 2.756 . 0 0 "[ . 1]" 1
426 2 26 ILE HA 2 26 ILE MD . . 3.950 3.940 3.926 3.948 . 0 0 "[ . 1]" 1
427 2 26 ILE HA 2 26 ILE MG . . 3.140 2.246 2.225 2.271 . 0 0 "[ . 1]" 1
428 2 26 ILE HA 2 29 ARG H . . 3.910 3.731 3.657 3.813 . 0 0 "[ . 1]" 1
429 2 26 ILE HA 2 29 ARG HB2 . . 3.960 2.674 2.645 2.736 . 0 0 "[ . 1]" 1
430 2 26 ILE HB 2 26 ILE MD . . 2.940 2.199 2.100 2.221 . 0 0 "[ . 1]" 1
431 2 26 ILE HG13 2 26 ILE MG . . 3.230 3.136 3.125 3.145 . 0 0 "[ . 1]" 1
432 2 26 ILE MG 2 30 THR HG1 . . 3.410 2.739 1.929 3.107 . 0 0 "[ . 1]" 1
433 2 26 ILE MG 2 30 THR MG . . 3.890 3.890 3.816 3.960 0.070 9 0 "[ . 1]" 1
434 2 27 ILE H 2 27 ILE HA . . 2.970 2.911 2.901 2.917 . 0 0 "[ . 1]" 1
435 2 27 ILE H 2 27 ILE HB . . 2.560 2.184 2.164 2.211 . 0 0 "[ . 1]" 1
436 2 27 ILE HA 2 27 ILE MD . . 3.850 3.751 3.738 3.765 . 0 0 "[ . 1]" 1
437 2 27 ILE HA 2 27 ILE MG . . 2.770 2.534 2.496 2.573 . 0 0 "[ . 1]" 1
438 2 27 ILE HA 2 28 LEU H . . 3.500 3.593 3.580 3.606 0.106 8 0 "[ . 1]" 1
439 2 27 ILE HA 2 30 THR H . . 3.860 3.865 3.812 3.893 0.033 8 0 "[ . 1]" 1
440 2 27 ILE HA 2 30 THR MG . . 3.820 3.955 3.891 4.043 0.223 8 0 "[ . 1]" 1
441 2 27 ILE HA 2 31 VAL H . . 3.900 3.616 3.476 3.665 . 0 0 "[ . 1]" 1
442 2 27 ILE HA 2 31 VAL MG2 . . 3.560 3.412 3.279 3.452 . 0 0 "[ . 1]" 1
443 2 27 ILE HB 2 27 ILE MD . . 2.970 2.073 2.060 2.104 . 0 0 "[ . 1]" 1
444 2 27 ILE HG12 2 27 ILE MG . . 2.770 2.242 2.206 2.268 . 0 0 "[ . 1]" 1
445 2 27 ILE MG 2 28 LEU HA . . 3.310 3.163 3.051 3.278 . 0 0 "[ . 1]" 1
446 2 28 LEU H 2 28 LEU HA . . 2.960 2.880 2.853 2.897 . 0 0 "[ . 1]" 1
447 2 28 LEU H 2 28 LEU HB2 . . 2.570 2.125 2.122 2.132 . 0 0 "[ . 1]" 1
448 2 28 LEU H 2 28 LEU HB3 . . 3.910 3.465 3.462 3.473 . 0 0 "[ . 1]" 1
449 2 28 LEU H 2 29 ARG H . . 3.530 2.620 2.551 2.689 . 0 0 "[ . 1]" 1
450 2 28 LEU HA 2 28 LEU MD1 . . 3.940 3.725 3.723 3.727 . 0 0 "[ . 1]" 1
451 2 28 LEU HA 2 28 LEU MD2 . . 2.810 2.114 1.945 2.269 . 0 0 "[ . 1]" 1
452 2 28 LEU HA 2 31 VAL HB . . 3.930 2.471 2.293 2.551 . 0 0 "[ . 1]" 1
453 2 28 LEU HB3 2 28 LEU MD1 . . 2.540 2.566 2.532 2.591 0.051 6 0 "[ . 1]" 1
454 2 28 LEU HB3 2 28 LEU MD2 . . 3.020 2.198 2.085 2.308 . 0 0 "[ . 1]" 1
455 2 28 LEU MD2 2 32 LYS QE . . 3.500 2.894 2.290 3.423 . 0 0 "[ . 1]" 1
456 2 29 ARG H 2 30 THR H . . 3.010 2.786 2.752 2.835 . 0 0 "[ . 1]" 1
457 2 29 ARG HA 2 33 ARG H . . 4.330 4.420 4.365 4.452 0.122 10 0 "[ . 1]" 1
458 2 30 THR H 2 30 THR HA . . 2.800 2.839 2.815 2.867 0.067 10 0 "[ . 1]" 1
459 2 30 THR H 2 30 THR HB . . 2.960 2.322 2.301 2.369 . 0 0 "[ . 1]" 1
460 2 30 THR H 2 30 THR HG1 . . 2.990 2.602 2.189 2.969 . 0 0 "[ . 1]" 1
461 2 30 THR H 2 31 VAL H . . 2.810 2.775 2.667 2.825 0.015 9 0 "[ . 1]" 1
462 2 30 THR HA 2 30 THR MG . . 2.760 2.407 2.358 2.426 . 0 0 "[ . 1]" 1
463 2 30 THR HA 2 33 ARG HB2 . . 4.090 3.433 2.341 3.696 . 0 0 "[ . 1]" 1
464 2 30 THR HA 2 33 ARG HB3 . . 3.540 2.198 1.788 3.710 0.170 7 0 "[ . 1]" 1
465 2 30 THR HA 2 34 ALA H . . 4.850 4.640 4.232 4.825 . 0 0 "[ . 1]" 1
466 2 30 THR HB 2 31 VAL H . . 3.240 2.421 2.395 2.488 . 0 0 "[ . 1]" 1
467 2 30 THR HB 2 31 VAL MG2 . . 3.580 3.597 3.565 3.687 0.107 10 0 "[ . 1]" 1
468 2 30 THR HG1 2 31 VAL H . . 4.720 4.369 4.150 4.507 . 0 0 "[ . 1]" 1
469 2 30 THR MG 2 31 VAL H . . 3.450 3.017 2.958 3.145 . 0 0 "[ . 1]" 1
470 2 30 THR MG 2 33 ARG QB . . 3.180 3.222 2.734 3.353 0.173 10 0 "[ . 1]" 1
471 2 30 THR MG 2 33 ARG QD . . 3.900 3.489 2.088 3.937 0.037 7 0 "[ . 1]" 1
472 2 30 THR MG 2 33 ARG HG3 . . 3.320 3.236 2.995 3.650 0.330 7 0 "[ . 1]" 1
473 2 31 VAL H 2 31 VAL HB . . 2.930 2.338 2.298 2.365 . 0 0 "[ . 1]" 1
474 2 31 VAL H 2 32 LYS H . . 3.130 2.914 2.872 2.952 . 0 0 "[ . 1]" 1
475 2 31 VAL HA 2 31 VAL MG1 . . 2.660 2.527 2.503 2.589 . 0 0 "[ . 1]" 1
476 2 31 VAL HA 2 31 VAL MG2 . . 2.990 2.248 2.216 2.264 . 0 0 "[ . 1]" 1
477 2 31 VAL HA 2 32 LYS H . . 3.510 3.585 3.561 3.600 0.090 9 0 "[ . 1]" 1
478 2 31 VAL HA 2 33 ARG H . . 4.790 4.369 4.328 4.457 . 0 0 "[ . 1]" 1
479 2 31 VAL HA 2 34 ALA H . . 4.840 3.808 3.758 3.911 . 0 0 "[ . 1]" 1
480 2 31 VAL HA 2 34 ALA MB . . 3.170 3.243 3.216 3.258 0.088 6 0 "[ . 1]" 1
481 2 31 VAL HB 2 32 LYS H . . 3.450 2.708 2.577 2.872 . 0 0 "[ . 1]" 1
482 2 31 VAL MG1 2 32 LYS HA . . 3.140 3.124 3.070 3.142 0.002 5 0 "[ . 1]" 1
483 2 31 VAL MG1 2 32 LYS HG3 . . 3.000 2.946 2.642 3.003 0.003 6 0 "[ . 1]" 1
484 2 31 VAL MG1 2 35 ASN HD22 . . 4.850 4.007 3.591 4.436 . 0 0 "[ . 1]" 1
485 2 32 LYS HA 2 35 ASN HB3 . . 4.140 4.124 3.977 4.145 0.005 3 0 "[ . 1]" 1
486 2 32 LYS HG3 2 35 ASN HD22 . . 5.220 4.811 3.311 5.215 . 0 0 "[ . 1]" 1
487 2 33 ARG H 2 34 ALA H . . 3.380 2.749 2.593 2.791 . 0 0 "[ . 1]" 1
488 2 33 ARG HA 2 36 GLY H . . 4.930 3.662 2.944 4.160 . 0 0 "[ . 1]" 1
489 2 34 ALA H 2 34 ALA MB . . 3.230 2.004 1.985 2.033 . 0 0 "[ . 1]" 1
490 2 34 ALA HA 2 37 GLY H . . 5.410 4.868 3.792 5.390 . 0 0 "[ . 1]" 1
491 2 34 ALA MB 2 35 ASN H . . 3.400 2.681 2.185 2.906 . 0 0 "[ . 1]" 1
492 2 35 ASN H 2 35 ASN HB3 . . 3.990 3.250 2.261 3.499 . 0 0 "[ . 1]" 1
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