NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436718 |
2k1k   |
15728 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k1k
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 780
_Distance_constraint_stats_list.Viol_count 1337
_Distance_constraint_stats_list.Viol_total 719.054
_Distance_constraint_stats_list.Viol_max 0.368
_Distance_constraint_stats_list.Viol_rms 0.0227
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0448
_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 SER 0.000 0.000 . 0 "[ . 1 ]"
1 2 PRO 0.049 0.049 8 0 "[ . 1 ]"
1 3 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 4 VAL 0.677 0.158 9 0 "[ . 1 ]"
1 5 SER 0.353 0.140 10 0 "[ . 1 ]"
1 6 ARG 4.934 0.164 4 0 "[ . 1 ]"
1 7 GLY 1.307 0.202 4 0 "[ . 1 ]"
1 8 LEU 4.842 0.202 4 0 "[ . 1 ]"
1 9 THR 2.232 0.091 12 0 "[ . 1 ]"
1 10 GLY 2.328 0.066 2 0 "[ . 1 ]"
1 11 GLY 2.033 0.089 9 0 "[ . 1 ]"
1 12 GLU 2.168 0.089 9 0 "[ . 1 ]"
1 13 ILE 3.136 0.064 11 0 "[ . 1 ]"
1 14 VAL 5.191 0.110 5 0 "[ . 1 ]"
1 15 ALA 0.325 0.024 12 0 "[ . 1 ]"
1 16 VAL 1.843 0.088 11 0 "[ . 1 ]"
1 17 ILE 1.521 0.075 11 0 "[ . 1 ]"
1 18 PHE 3.423 0.110 5 0 "[ . 1 ]"
1 19 GLY 1.382 0.088 11 0 "[ . 1 ]"
1 20 LEU 1.596 0.087 7 0 "[ . 1 ]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 22 LEU 0.191 0.191 12 0 "[ . 1 ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 24 ALA 0.601 0.054 11 0 "[ . 1 ]"
1 25 ALA 0.237 0.030 11 0 "[ . 1 ]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 27 LEU 1.257 0.066 10 0 "[ . 1 ]"
1 28 LEU 0.407 0.030 11 0 "[ . 1 ]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 30 ILE 0.318 0.061 9 0 "[ . 1 ]"
1 31 LEU 0.118 0.064 7 0 "[ . 1 ]"
1 32 VAL 0.326 0.071 5 0 "[ . 1 ]"
1 33 PHE 0.011 0.007 9 0 "[ . 1 ]"
1 34 ARG 2.719 0.365 9 0 "[ . 1 ]"
1 35 SER 0.425 0.179 2 0 "[ . 1 ]"
1 36 ARG 4.196 0.365 9 0 "[ . 1 ]"
1 37 ARG 1.036 0.313 7 0 "[ . 1 ]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 1 SER 0.000 0.000 . 0 "[ . 1 ]"
2 2 PRO 0.090 0.049 7 0 "[ . 1 ]"
2 3 PRO 0.000 0.000 . 0 "[ . 1 ]"
2 4 VAL 0.461 0.209 12 0 "[ . 1 ]"
2 5 SER 0.429 0.143 8 0 "[ . 1 ]"
2 6 ARG 4.986 0.218 11 0 "[ . 1 ]"
2 7 GLY 1.569 0.211 10 0 "[ . 1 ]"
2 8 LEU 5.232 0.218 11 0 "[ . 1 ]"
2 9 THR 2.262 0.089 8 0 "[ . 1 ]"
2 10 GLY 2.399 0.068 1 0 "[ . 1 ]"
2 11 GLY 2.018 0.093 9 0 "[ . 1 ]"
2 12 GLU 2.156 0.093 9 0 "[ . 1 ]"
2 13 ILE 3.094 0.063 9 0 "[ . 1 ]"
2 14 VAL 5.169 0.100 2 0 "[ . 1 ]"
2 15 ALA 0.272 0.026 1 0 "[ . 1 ]"
2 16 VAL 1.671 0.077 9 0 "[ . 1 ]"
2 17 ILE 1.535 0.077 10 0 "[ . 1 ]"
2 18 PHE 3.428 0.100 2 0 "[ . 1 ]"
2 19 GLY 1.283 0.077 9 0 "[ . 1 ]"
2 20 LEU 1.636 0.085 10 0 "[ . 1 ]"
2 21 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 22 LEU 0.572 0.191 10 0 "[ . 1 ]"
2 23 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 24 ALA 0.415 0.057 9 0 "[ . 1 ]"
2 25 ALA 0.118 0.023 6 0 "[ . 1 ]"
2 26 LEU 0.076 0.075 9 0 "[ . 1 ]"
2 27 LEU 0.843 0.057 9 0 "[ . 1 ]"
2 28 LEU 0.199 0.023 6 0 "[ . 1 ]"
2 29 GLY 0.005 0.005 6 0 "[ . 1 ]"
2 30 ILE 0.173 0.042 8 0 "[ . 1 ]"
2 31 LEU 0.110 0.042 5 0 "[ . 1 ]"
2 32 VAL 0.339 0.161 8 0 "[ . 1 ]"
2 33 PHE 0.016 0.009 11 0 "[ . 1 ]"
2 34 ARG 1.919 0.368 3 0 "[ . 1 ]"
2 35 SER 0.756 0.161 8 0 "[ . 1 ]"
2 36 ARG 4.464 0.368 3 0 "[ . 1 ]"
2 37 ARG 1.367 0.310 6 0 "[ . 1 ]"
2 38 ALA 0.606 0.098 3 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 SER HA 1 2 PRO HD2 . . 3.640 2.192 2.069 2.508 . 0 0 "[ . 1 ]" 1
2 1 1 SER HA 1 2 PRO QD . . 3.110 2.072 2.027 2.154 . 0 0 "[ . 1 ]" 1
3 1 1 SER HA 1 2 PRO HD3 . . 3.640 2.782 2.345 2.957 . 0 0 "[ . 1 ]" 1
4 1 2 PRO HA 1 3 PRO HD2 . . 2.940 2.511 2.460 2.543 . 0 0 "[ . 1 ]" 1
5 1 2 PRO HA 1 3 PRO QD . . 2.520 2.160 2.129 2.180 . 0 0 "[ . 1 ]" 1
6 1 2 PRO HA 1 3 PRO HD3 . . 2.940 2.355 2.331 2.372 . 0 0 "[ . 1 ]" 1
7 1 2 PRO QB 1 3 PRO QB . . 4.960 4.547 4.516 4.599 . 0 0 "[ . 1 ]" 1
8 1 2 PRO QB 1 3 PRO QD . . 3.960 2.041 1.982 2.134 . 0 0 "[ . 1 ]" 1
9 1 2 PRO QB 1 6 ARG QB . . 3.560 2.893 2.127 3.609 0.049 8 0 "[ . 1 ]" 1
10 1 3 PRO QB 1 4 VAL H . . 4.380 3.046 1.966 3.987 . 0 0 "[ . 1 ]" 1
11 1 4 VAL H 1 4 VAL HB . . 4.000 3.561 2.517 3.886 . 0 0 "[ . 1 ]" 1
12 1 4 VAL H 1 4 VAL QG . . 3.810 2.408 1.963 2.699 . 0 0 "[ . 1 ]" 1
13 1 4 VAL H 1 5 SER H . . 4.970 4.421 4.160 4.631 . 0 0 "[ . 1 ]" 1
14 1 4 VAL H 1 6 ARG QB . . 4.710 4.584 3.757 4.868 0.158 9 0 "[ . 1 ]" 1
15 1 4 VAL HA 1 5 SER H . . 3.160 2.428 2.223 2.715 . 0 0 "[ . 1 ]" 1
16 1 4 VAL HB 1 5 SER H . . 4.550 3.067 2.100 3.948 . 0 0 "[ . 1 ]" 1
17 1 4 VAL QG 1 5 SER H . . 4.750 2.342 1.874 3.079 . 0 0 "[ . 1 ]" 1
18 1 5 SER H 1 5 SER QB . . 3.360 3.044 2.849 3.360 0.000 5 0 "[ . 1 ]" 1
19 1 5 SER H 1 9 THR HB . . 4.600 4.478 4.124 4.669 0.069 10 0 "[ . 1 ]" 1
20 1 5 SER HA 1 6 ARG H . . 3.360 2.886 2.587 3.500 0.140 10 0 "[ . 1 ]" 1
21 1 5 SER QB 1 6 ARG H . . 4.700 3.102 1.901 4.000 . 0 0 "[ . 1 ]" 1
22 1 6 ARG H 1 6 ARG HB2 . . 4.140 2.952 2.417 3.537 . 0 0 "[ . 1 ]" 1
23 1 6 ARG H 1 6 ARG QB . . 3.550 2.856 2.383 3.314 . 0 0 "[ . 1 ]" 1
24 1 6 ARG H 1 6 ARG HB3 . . 4.140 3.888 3.626 4.093 . 0 0 "[ . 1 ]" 1
25 1 6 ARG H 1 6 ARG QD . . 4.600 4.133 3.320 4.469 . 0 0 "[ . 1 ]" 1
26 1 6 ARG H 1 6 ARG QG . . 3.920 3.142 2.749 3.557 . 0 0 "[ . 1 ]" 1
27 1 6 ARG HA 1 6 ARG HD2 . . 4.320 3.595 3.574 3.625 . 0 0 "[ . 1 ]" 1
28 1 6 ARG HA 1 6 ARG QD . . 4.420 2.004 1.971 2.047 . 0 0 "[ . 1 ]" 1
29 1 6 ARG HA 1 6 ARG HD3 . . 4.320 2.014 1.980 2.058 . 0 0 "[ . 1 ]" 1
30 1 6 ARG HA 1 6 ARG HG2 . . 3.680 2.894 2.794 3.164 . 0 0 "[ . 1 ]" 1
31 1 6 ARG HA 1 6 ARG QG . . 3.730 2.792 2.710 3.008 . 0 0 "[ . 1 ]" 1
32 1 6 ARG HA 1 6 ARG HG3 . . 3.680 3.683 3.649 3.762 0.082 10 0 "[ . 1 ]" 1
33 1 6 ARG HA 1 7 GLY H . . 3.250 2.811 2.649 2.933 . 0 0 "[ . 1 ]" 1
34 1 6 ARG QB 1 6 ARG QD . . 3.040 2.309 2.299 2.330 . 0 0 "[ . 1 ]" 1
35 1 6 ARG QB 1 6 ARG QG . . 2.400 1.998 1.993 2.003 . 0 0 "[ . 1 ]" 1
36 1 6 ARG QB 1 7 GLY H . . 3.770 3.175 1.883 3.840 0.070 11 0 "[ . 1 ]" 1
37 1 6 ARG QB 1 8 LEU QD . . 4.290 4.199 4.122 4.272 . 0 0 "[ . 1 ]" 1
38 1 6 ARG HB2 1 6 ARG HD2 . . 4.200 4.027 3.976 4.059 . 0 0 "[ . 1 ]" 1
39 1 6 ARG HB2 1 6 ARG HD3 . . 4.200 3.520 3.517 3.528 . 0 0 "[ . 1 ]" 1
40 1 6 ARG HB2 1 6 ARG HG2 . . 2.400 2.454 2.432 2.471 0.071 2 0 "[ . 1 ]" 1
41 1 6 ARG HB2 1 6 ARG HG3 . . 2.400 2.412 2.395 2.433 0.033 10 0 "[ . 1 ]" 1
42 1 6 ARG HB2 1 7 GLY H . . 4.760 3.854 2.953 4.251 . 0 0 "[ . 1 ]" 1
43 1 6 ARG HB2 1 8 LEU MD1 . . 4.540 4.631 4.585 4.704 0.164 4 0 "[ . 1 ]" 1
44 1 6 ARG HB3 1 6 ARG HD2 . . 3.120 3.129 3.034 3.188 0.068 10 0 "[ . 1 ]" 1
45 1 6 ARG HB3 1 6 ARG HD3 . . 3.120 2.438 2.420 2.457 . 0 0 "[ . 1 ]" 1
46 1 6 ARG HB3 1 6 ARG HG2 . . 3.000 3.011 3.011 3.012 0.012 10 0 "[ . 1 ]" 1
47 1 6 ARG HB3 1 6 ARG HG3 . . 2.400 2.443 2.421 2.462 0.062 2 0 "[ . 1 ]" 1
48 1 6 ARG HB3 1 7 GLY H . . 4.760 3.549 1.905 4.396 . 0 0 "[ . 1 ]" 1
49 1 6 ARG HD2 1 6 ARG HG2 . . 2.900 2.861 2.842 2.895 . 0 0 "[ . 1 ]" 1
50 1 6 ARG HD2 1 6 ARG HG3 . . 2.400 2.222 2.218 2.229 . 0 0 "[ . 1 ]" 1
51 1 6 ARG HD3 1 6 ARG HG2 . . 2.900 2.816 2.775 2.836 . 0 0 "[ . 1 ]" 1
52 1 6 ARG HD3 1 6 ARG HG3 . . 2.800 2.860 2.840 2.895 0.095 4 0 "[ . 1 ]" 1
53 1 6 ARG QG 1 7 GLY H . . 4.820 4.524 3.929 4.817 . 0 0 "[ . 1 ]" 1
54 1 7 GLY H 1 7 GLY HA2 . . 2.880 2.491 2.295 2.907 0.027 10 0 "[ . 1 ]" 1
55 1 7 GLY H 1 7 GLY HA3 . . 3.140 2.638 2.309 2.806 . 0 0 "[ . 1 ]" 1
56 1 7 GLY H 1 8 LEU H . . 3.720 2.701 2.650 2.729 . 0 0 "[ . 1 ]" 1
57 1 7 GLY HA2 1 8 LEU H . . 3.060 3.129 3.072 3.262 0.202 4 0 "[ . 1 ]" 1
58 1 7 GLY HA3 1 8 LEU H . . 3.410 3.395 3.290 3.436 0.026 5 0 "[ . 1 ]" 1
59 1 8 LEU H 1 8 LEU HB3 . . 3.360 2.875 2.772 2.988 . 0 0 "[ . 1 ]" 1
60 1 8 LEU H 1 8 LEU MD1 . . 3.940 3.999 3.933 4.029 0.089 8 0 "[ . 1 ]" 1
61 1 8 LEU H 1 8 LEU MD2 . . 4.940 4.252 4.245 4.262 . 0 0 "[ . 1 ]" 1
62 1 8 LEU HA 1 8 LEU MD1 . . 3.200 3.244 3.231 3.258 0.058 10 0 "[ . 1 ]" 1
63 1 8 LEU HA 1 8 LEU QD . . 3.330 1.976 1.954 2.007 . 0 0 "[ . 1 ]" 1
64 1 8 LEU HA 1 8 LEU MD2 . . 2.400 1.994 1.970 2.026 . 0 0 "[ . 1 ]" 1
65 1 8 LEU HA 1 8 LEU HG . . 4.170 3.700 3.694 3.705 . 0 0 "[ . 1 ]" 1
66 1 8 LEU HB2 1 8 LEU MD1 . . 3.240 3.149 3.148 3.150 . 0 0 "[ . 1 ]" 1
67 1 8 LEU HB2 1 8 LEU MD2 . . 2.780 2.497 2.489 2.505 . 0 0 "[ . 1 ]" 1
68 1 8 LEU HB2 1 8 LEU HG . . 2.400 2.333 2.332 2.335 . 0 0 "[ . 1 ]" 1
69 1 8 LEU HB3 1 8 LEU MD1 . . 3.040 2.102 2.088 2.115 . 0 0 "[ . 1 ]" 1
70 1 8 LEU HB3 1 8 LEU MD2 . . 3.200 3.181 3.180 3.182 . 0 0 "[ . 1 ]" 1
71 1 8 LEU HB3 1 8 LEU HG . . 2.550 2.547 2.545 2.549 . 0 0 "[ . 1 ]" 1
72 1 8 LEU MD1 1 8 LEU MD2 . . 2.400 2.054 2.048 2.061 . 0 0 "[ . 1 ]" 1
73 1 8 LEU MD1 1 9 THR H . . 4.710 2.953 2.889 3.008 . 0 0 "[ . 1 ]" 1
74 1 8 LEU MD1 1 10 GLY HA2 . . 4.110 4.157 4.135 4.176 0.066 2 0 "[ . 1 ]" 1
75 1 8 LEU MD2 1 9 THR MG . . 3.850 3.931 3.918 3.941 0.091 12 0 "[ . 1 ]" 1
76 1 9 THR H 1 9 THR HB . . 3.940 3.929 3.925 3.932 . 0 0 "[ . 1 ]" 1
77 1 9 THR H 1 9 THR MG . . 4.210 2.458 2.444 2.520 . 0 0 "[ . 1 ]" 1
78 1 9 THR H 1 10 GLY H . . 5.010 4.426 4.424 4.430 . 0 0 "[ . 1 ]" 1
79 1 9 THR H 1 12 GLU HB2 . . 4.500 2.322 2.304 2.332 . 0 0 "[ . 1 ]" 1
80 1 9 THR H 1 12 GLU HB3 . . 4.220 3.596 3.578 3.606 . 0 0 "[ . 1 ]" 1
81 1 9 THR H 1 12 GLU HG3 . . 4.150 1.910 1.902 1.917 . 0 0 "[ . 1 ]" 1
82 1 9 THR HA 1 9 THR MG . . 2.990 2.698 2.687 2.702 . 0 0 "[ . 1 ]" 1
83 1 9 THR HA 1 10 GLY H . . 3.090 2.370 2.368 2.373 . 0 0 "[ . 1 ]" 1
84 1 9 THR HB 1 10 GLY H . . 3.520 2.748 2.738 2.756 . 0 0 "[ . 1 ]" 1
85 1 9 THR HB 1 11 GLY H . . 4.070 3.683 3.671 3.710 . 0 0 "[ . 1 ]" 1
86 1 9 THR MG 1 10 GLY H . . 4.030 4.089 4.083 4.092 0.062 2 0 "[ . 1 ]" 1
87 1 9 THR MG 1 11 GLY H . . 4.510 4.453 4.446 4.462 . 0 0 "[ . 1 ]" 1
88 1 9 THR MG 1 12 GLU H . . 4.630 3.816 3.781 3.823 . 0 0 "[ . 1 ]" 1
89 1 9 THR MG 1 12 GLU HB3 . . 4.330 4.349 4.333 4.358 0.028 5 0 "[ . 1 ]" 1
90 1 9 THR MG 1 12 GLU HG3 . . 4.270 2.052 2.023 2.058 . 0 0 "[ . 1 ]" 1
91 1 9 THR MG 2 11 GLY HA3 . . 4.090 4.099 4.088 4.112 0.022 7 0 "[ . 1 ]" 1
92 1 10 GLY H 1 11 GLY H . . 3.690 2.904 2.900 2.911 . 0 0 "[ . 1 ]" 1
93 1 10 GLY H 1 13 ILE MD . . 4.270 3.727 3.725 3.737 . 0 0 "[ . 1 ]" 1
94 1 10 GLY HA2 1 13 ILE H . . 3.510 3.550 3.542 3.557 0.047 7 0 "[ . 1 ]" 1
95 1 10 GLY HA2 1 13 ILE MD . . 3.550 2.150 2.145 2.156 . 0 0 "[ . 1 ]" 1
96 1 10 GLY HA2 1 13 ILE MG . . 4.720 4.389 4.384 4.397 . 0 0 "[ . 1 ]" 1
97 1 10 GLY HA2 1 14 VAL H . . 4.120 4.126 4.112 4.132 0.012 10 0 "[ . 1 ]" 1
98 1 10 GLY HA3 1 13 ILE H . . 4.800 4.742 4.731 4.753 . 0 0 "[ . 1 ]" 1
99 1 10 GLY HA3 1 13 ILE MD . . 3.680 3.722 3.718 3.727 0.047 6 0 "[ . 1 ]" 1
100 1 11 GLY H 1 11 GLY HA3 . . 3.090 2.294 2.294 2.295 . 0 0 "[ . 1 ]" 1
101 1 11 GLY H 1 12 GLU H . . 3.730 2.684 2.679 2.690 . 0 0 "[ . 1 ]" 1
102 1 11 GLY H 1 12 GLU HG2 . . 4.540 4.621 4.614 4.629 0.089 9 0 "[ . 1 ]" 1
103 1 11 GLY H 1 12 GLU HG3 . . 4.820 4.172 4.164 4.185 . 0 0 "[ . 1 ]" 1
104 1 11 GLY H 1 13 ILE H . . 4.330 4.334 4.322 4.348 0.018 7 0 "[ . 1 ]" 1
105 1 11 GLY H 1 14 VAL MG1 . . 4.730 4.419 4.409 4.428 . 0 0 "[ . 1 ]" 1
106 1 11 GLY H 1 14 VAL MG2 . . 4.670 4.321 4.308 4.329 . 0 0 "[ . 1 ]" 1
107 1 11 GLY QA 1 14 VAL QG . . 4.190 2.039 2.032 2.044 . 0 0 "[ . 1 ]" 1
108 1 11 GLY HA2 1 12 GLU H . . 4.100 3.507 3.505 3.509 . 0 0 "[ . 1 ]" 1
109 1 11 GLY HA2 1 14 VAL H . . 4.150 3.765 3.750 3.776 . 0 0 "[ . 1 ]" 1
110 1 11 GLY HA2 1 14 VAL MG1 . . 3.710 3.038 3.028 3.052 . 0 0 "[ . 1 ]" 1
111 1 11 GLY HA2 1 15 ALA H . . 4.440 3.972 3.940 4.003 . 0 0 "[ . 1 ]" 1
112 1 11 GLY HA3 1 14 VAL MG1 . . 4.470 4.545 4.535 4.556 0.086 7 0 "[ . 1 ]" 1
113 1 11 GLY HA3 2 9 THR MG . . 4.090 4.098 4.084 4.116 0.026 7 0 "[ . 1 ]" 1
114 1 12 GLU H 1 12 GLU HB2 . . 3.860 2.731 2.727 2.733 . 0 0 "[ . 1 ]" 1
115 1 12 GLU H 1 12 GLU HB3 . . 4.350 3.582 3.581 3.583 . 0 0 "[ . 1 ]" 1
116 1 12 GLU H 1 12 GLU HG2 . . 3.930 2.494 2.489 2.500 . 0 0 "[ . 1 ]" 1
117 1 12 GLU H 1 12 GLU HG3 . . 3.460 2.247 2.244 2.254 . 0 0 "[ . 1 ]" 1
118 1 12 GLU H 1 13 ILE H . . 3.580 2.606 2.600 2.613 . 0 0 "[ . 1 ]" 1
119 1 12 GLU H 1 13 ILE MD . . 4.970 3.726 3.720 3.736 . 0 0 "[ . 1 ]" 1
120 1 12 GLU HA 1 12 GLU HG3 . . 4.110 3.627 3.625 3.629 . 0 0 "[ . 1 ]" 1
121 1 12 GLU HA 1 13 ILE H . . 4.010 3.535 3.533 3.538 . 0 0 "[ . 1 ]" 1
122 1 12 GLU HA 1 15 ALA MB . . 3.860 2.454 2.436 2.488 . 0 0 "[ . 1 ]" 1
123 1 12 GLU HA 2 15 ALA MB . . 4.500 2.274 2.228 2.308 . 0 0 "[ . 1 ]" 1
124 1 12 GLU QB 1 15 ALA MB . . 5.160 4.042 4.023 4.067 . 0 0 "[ . 1 ]" 1
125 1 12 GLU HB2 1 13 ILE H . . 3.520 2.592 2.573 2.602 . 0 0 "[ . 1 ]" 1
126 1 12 GLU HB2 1 13 ILE MD . . 2.820 2.872 2.867 2.879 0.059 9 0 "[ . 1 ]" 1
127 1 12 GLU HB3 1 13 ILE MD . . 4.370 4.396 4.393 4.402 0.032 10 0 "[ . 1 ]" 1
128 1 12 GLU HB3 1 15 ALA MB . . 4.400 4.316 4.292 4.345 . 0 0 "[ . 1 ]" 1
129 1 12 GLU HG2 2 15 ALA MB . . 3.940 3.933 3.874 3.959 0.019 7 0 "[ . 1 ]" 1
130 1 12 GLU HG3 1 13 ILE H . . 4.170 3.916 3.907 3.929 . 0 0 "[ . 1 ]" 1
131 1 13 ILE H 1 13 ILE HB . . 3.300 2.388 2.384 2.394 . 0 0 "[ . 1 ]" 1
132 1 13 ILE H 1 13 ILE MD . . 3.880 2.353 2.342 2.365 . 0 0 "[ . 1 ]" 1
133 1 13 ILE H 1 13 ILE QG . . 3.860 2.955 2.944 2.964 . 0 0 "[ . 1 ]" 1
134 1 13 ILE H 1 13 ILE MG . . 3.730 3.731 3.729 3.733 0.003 7 0 "[ . 1 ]" 1
135 1 13 ILE HA 1 13 ILE MD . . 3.410 3.434 3.430 3.440 0.030 11 0 "[ . 1 ]" 1
136 1 13 ILE HA 1 13 ILE QG . . 3.980 2.171 2.169 2.175 . 0 0 "[ . 1 ]" 1
137 1 13 ILE HA 1 13 ILE MG . . 2.630 2.475 2.473 2.477 . 0 0 "[ . 1 ]" 1
138 1 13 ILE HA 1 14 VAL H . . 4.300 3.568 3.568 3.569 . 0 0 "[ . 1 ]" 1
139 1 13 ILE HA 1 16 VAL H . . 3.900 3.596 3.587 3.621 . 0 0 "[ . 1 ]" 1
140 1 13 ILE HA 1 16 VAL HB . . 3.100 3.147 3.136 3.164 0.064 11 0 "[ . 1 ]" 1
141 1 13 ILE HA 1 16 VAL MG1 . . 4.980 4.472 4.459 4.485 . 0 0 "[ . 1 ]" 1
142 1 13 ILE HA 1 16 VAL QG . . 3.430 3.174 3.081 3.343 . 0 0 "[ . 1 ]" 1
143 1 13 ILE HA 1 16 VAL MG2 . . 4.980 3.249 3.139 3.451 . 0 0 "[ . 1 ]" 1
144 1 13 ILE HB 1 13 ILE MD . . 3.070 2.036 2.033 2.038 . 0 0 "[ . 1 ]" 1
145 1 13 ILE HB 1 14 VAL HA . . 4.620 4.388 4.377 4.395 . 0 0 "[ . 1 ]" 1
146 1 13 ILE MD 1 13 ILE MG . . 3.110 3.023 3.019 3.027 . 0 0 "[ . 1 ]" 1
147 1 13 ILE QG 1 13 ILE MG . . 3.110 2.055 2.055 2.056 . 0 0 "[ . 1 ]" 1
148 1 13 ILE QG 1 16 VAL QG . . 4.700 4.245 4.194 4.356 . 0 0 "[ . 1 ]" 1
149 1 13 ILE MG 1 14 VAL HA . . 3.000 3.024 3.020 3.031 0.031 12 0 "[ . 1 ]" 1
150 1 14 VAL H 1 14 VAL HB . . 3.570 3.589 3.587 3.590 0.020 8 0 "[ . 1 ]" 1
151 1 14 VAL H 1 14 VAL MG1 . . 3.190 2.025 2.021 2.029 . 0 0 "[ . 1 ]" 1
152 1 14 VAL H 1 14 VAL MG2 . . 3.350 2.438 2.432 2.448 . 0 0 "[ . 1 ]" 1
153 1 14 VAL H 1 15 ALA MB . . 4.290 4.295 4.287 4.306 0.016 11 0 "[ . 1 ]" 1
154 1 14 VAL HA 1 14 VAL MG1 . . 2.970 2.447 2.442 2.451 . 0 0 "[ . 1 ]" 1
155 1 14 VAL HA 1 14 VAL MG2 . . 3.300 3.183 3.181 3.185 . 0 0 "[ . 1 ]" 1
156 1 14 VAL HA 1 15 ALA H . . 4.180 3.493 3.490 3.502 . 0 0 "[ . 1 ]" 1
157 1 14 VAL HA 1 17 ILE HB . . 5.490 4.069 3.999 4.102 . 0 0 "[ . 1 ]" 1
158 1 14 VAL HA 1 17 ILE MD . . 3.920 3.987 3.979 3.995 0.075 11 0 "[ . 1 ]" 1
159 1 14 VAL HA 1 17 ILE QG . . 6.240 4.874 4.854 4.908 . 0 0 "[ . 1 ]" 1
160 1 14 VAL HA 1 18 PHE HB2 . . 4.560 4.608 4.597 4.616 0.056 3 0 "[ . 1 ]" 1
161 1 14 VAL HA 1 18 PHE QB . . 4.970 4.469 4.458 4.477 . 0 0 "[ . 1 ]" 1
162 1 14 VAL HB 1 15 ALA H . . 4.020 4.032 3.999 4.044 0.024 12 0 "[ . 1 ]" 1
163 1 14 VAL MG1 1 14 VAL MG2 . . 2.400 2.065 2.064 2.066 . 0 0 "[ . 1 ]" 1
164 1 14 VAL QG 1 15 ALA HA . . 4.290 2.965 2.948 2.972 . 0 0 "[ . 1 ]" 1
165 1 14 VAL QG 1 18 PHE QB . . 4.100 3.716 3.704 3.732 . 0 0 "[ . 1 ]" 1
166 1 14 VAL MG1 1 15 ALA H . . 3.890 3.745 3.738 3.754 . 0 0 "[ . 1 ]" 1
167 1 14 VAL MG2 1 15 ALA H . . 3.550 2.176 2.136 2.199 . 0 0 "[ . 1 ]" 1
168 1 14 VAL MG2 1 15 ALA HA . . 3.610 2.980 2.962 2.987 . 0 0 "[ . 1 ]" 1
169 1 14 VAL MG2 1 15 ALA MB . . 3.600 3.031 3.024 3.038 . 0 0 "[ . 1 ]" 1
170 1 14 VAL MG2 1 18 PHE HB2 . . 3.840 3.934 3.920 3.950 0.110 5 0 "[ . 1 ]" 1
171 1 14 VAL MG2 1 18 PHE QR . . 3.920 4.000 3.984 4.017 0.097 11 0 "[ . 1 ]" 1
172 1 15 ALA H 1 15 ALA MB . . 3.070 2.110 2.098 2.125 . 0 0 "[ . 1 ]" 1
173 1 15 ALA HA 1 16 VAL H . . 4.150 3.558 3.555 3.560 . 0 0 "[ . 1 ]" 1
174 1 15 ALA HA 1 18 PHE H . . 4.340 3.488 3.463 3.517 . 0 0 "[ . 1 ]" 1
175 1 15 ALA HA 1 18 PHE HB2 . . 3.760 2.898 2.833 2.941 . 0 0 "[ . 1 ]" 1
176 1 15 ALA HA 1 18 PHE QB . . 3.750 2.599 2.571 2.634 . 0 0 "[ . 1 ]" 1
177 1 15 ALA HA 1 19 GLY H . . 4.320 4.185 4.139 4.222 . 0 0 "[ . 1 ]" 1
178 1 15 ALA HA 2 15 ALA MB . . 4.650 3.960 3.942 3.979 . 0 0 "[ . 1 ]" 1
179 1 15 ALA HA 2 16 VAL MG2 . . 3.600 2.397 2.327 2.527 . 0 0 "[ . 1 ]" 1
180 1 15 ALA MB 1 16 VAL H . . 3.510 2.537 2.521 2.550 . 0 0 "[ . 1 ]" 1
181 1 15 ALA MB 1 16 VAL HA . . 4.060 3.741 3.725 3.754 . 0 0 "[ . 1 ]" 1
182 1 15 ALA MB 1 16 VAL MG1 . . 5.370 4.972 4.961 4.979 . 0 0 "[ . 1 ]" 1
183 1 15 ALA MB 1 16 VAL QG . . 3.800 3.252 3.197 3.278 . 0 0 "[ . 1 ]" 1
184 1 15 ALA MB 1 16 VAL MG2 . . 3.310 3.297 3.237 3.325 0.015 6 0 "[ . 1 ]" 1
185 1 15 ALA MB 1 18 PHE QB . . 4.530 3.858 3.829 3.888 . 0 0 "[ . 1 ]" 1
186 1 15 ALA MB 2 12 GLU HA . . 4.500 2.268 2.225 2.316 . 0 0 "[ . 1 ]" 1
187 1 15 ALA MB 2 12 GLU HG2 . . 3.940 3.924 3.871 3.961 0.021 11 0 "[ . 1 ]" 1
188 1 15 ALA MB 2 15 ALA HA . . 4.650 3.964 3.938 3.978 . 0 0 "[ . 1 ]" 1
189 1 15 ALA MB 2 15 ALA MB . . 3.500 1.793 1.776 1.802 . 0 0 "[ . 1 ]" 1
190 1 15 ALA MB 2 16 VAL HB . . 4.170 3.770 3.725 3.843 . 0 0 "[ . 1 ]" 1
191 1 15 ALA MB 2 16 VAL MG2 . . 3.000 1.898 1.869 1.925 . 0 0 "[ . 1 ]" 1
192 1 16 VAL H 1 16 VAL HB . . 3.430 2.448 2.431 2.464 . 0 0 "[ . 1 ]" 1
193 1 16 VAL H 1 16 VAL MG1 . . 3.900 3.749 3.745 3.753 . 0 0 "[ . 1 ]" 1
194 1 16 VAL H 1 16 VAL MG2 . . 3.480 2.356 2.187 2.446 . 0 0 "[ . 1 ]" 1
195 1 16 VAL H 1 17 ILE H . . 4.080 2.789 2.774 2.821 . 0 0 "[ . 1 ]" 1
196 1 16 VAL HA 1 16 VAL MG1 . . 3.270 2.411 2.398 2.429 . 0 0 "[ . 1 ]" 1
197 1 16 VAL HA 1 16 VAL MG2 . . 3.390 2.247 2.206 2.343 . 0 0 "[ . 1 ]" 1
198 1 16 VAL HA 1 19 GLY H . . 4.100 3.738 3.718 3.757 . 0 0 "[ . 1 ]" 1
199 1 16 VAL HB 1 17 ILE H . . 5.500 2.489 2.445 2.524 . 0 0 "[ . 1 ]" 1
200 1 16 VAL HB 1 17 ILE HA . . 5.070 4.371 4.353 4.399 . 0 0 "[ . 1 ]" 1
201 1 16 VAL HB 2 15 ALA MB . . 4.170 3.761 3.730 3.833 . 0 0 "[ . 1 ]" 1
202 1 16 VAL MG1 1 16 VAL MG2 . . 2.520 1.949 1.886 2.063 . 0 0 "[ . 1 ]" 1
203 1 16 VAL QG 1 17 ILE HA . . 4.070 3.309 3.289 3.336 . 0 0 "[ . 1 ]" 1
204 1 16 VAL QG 1 19 GLY H . . 4.870 4.498 4.486 4.516 . 0 0 "[ . 1 ]" 1
205 1 16 VAL MG1 1 19 GLY H . . 4.750 4.821 4.810 4.838 0.088 11 0 "[ . 1 ]" 1
206 1 16 VAL MG1 2 18 PHE QR . . 3.950 3.572 3.501 3.691 . 0 0 "[ . 1 ]" 1
207 1 16 VAL MG1 2 19 GLY QA . . 2.500 2.005 1.935 2.103 . 0 0 "[ . 1 ]" 1
208 1 16 VAL MG2 2 15 ALA HA . . 3.600 2.378 2.304 2.513 . 0 0 "[ . 1 ]" 1
209 1 16 VAL MG2 2 15 ALA MB . . 3.000 1.901 1.869 1.931 . 0 0 "[ . 1 ]" 1
210 1 16 VAL MG2 2 18 PHE HB3 . . 4.190 2.650 2.447 2.783 . 0 0 "[ . 1 ]" 1
211 1 16 VAL MG2 2 18 PHE QR . . 3.800 3.753 3.619 3.825 0.025 6 0 "[ . 1 ]" 1
212 1 16 VAL MG2 2 19 GLY H . . 4.750 3.227 3.069 3.312 . 0 0 "[ . 1 ]" 1
213 1 16 VAL MG2 2 19 GLY QA . . 3.640 3.668 3.644 3.683 0.043 5 0 "[ . 1 ]" 1
214 1 17 ILE H 1 17 ILE MD . . 5.170 4.394 4.352 4.400 . 0 0 "[ . 1 ]" 1
215 1 17 ILE H 1 17 ILE QG . . 5.100 3.974 3.973 3.975 . 0 0 "[ . 1 ]" 1
216 1 17 ILE H 1 18 PHE H . . 4.620 2.605 2.586 2.621 . 0 0 "[ . 1 ]" 1
217 1 17 ILE HA 1 17 ILE MD . . 3.740 3.796 3.788 3.810 0.070 11 0 "[ . 1 ]" 1
218 1 17 ILE HA 1 17 ILE QG . . 3.400 2.389 2.365 2.394 . 0 0 "[ . 1 ]" 1
219 1 17 ILE HA 1 18 PHE H . . 4.540 3.487 3.471 3.493 . 0 0 "[ . 1 ]" 1
220 1 17 ILE HA 1 20 LEU H . . 4.040 3.462 3.428 3.489 . 0 0 "[ . 1 ]" 1
221 1 17 ILE HA 1 20 LEU QB . . 4.000 2.242 2.166 2.314 . 0 0 "[ . 1 ]" 1
222 1 17 ILE HA 1 20 LEU HB3 . . 4.520 2.259 2.182 2.332 . 0 0 "[ . 1 ]" 1
223 1 17 ILE HA 1 20 LEU HG . . 3.950 3.921 3.854 3.967 0.017 12 0 "[ . 1 ]" 1
224 1 17 ILE HB 1 17 ILE MD . . 3.350 2.453 2.392 2.464 . 0 0 "[ . 1 ]" 1
225 1 17 ILE HB 1 18 PHE H . . 4.070 4.051 4.028 4.076 0.006 11 0 "[ . 1 ]" 1
226 1 17 ILE MD 1 17 ILE MG . . 2.400 1.906 1.896 1.912 . 0 0 "[ . 1 ]" 1
227 1 17 ILE MD 1 18 PHE HA . . 5.680 4.909 4.887 4.926 . 0 0 "[ . 1 ]" 1
228 1 17 ILE QG 1 17 ILE MG . . 2.400 2.311 2.291 2.340 . 0 0 "[ . 1 ]" 1
229 1 17 ILE QG 1 18 PHE HA . . 4.290 3.655 3.622 3.749 . 0 0 "[ . 1 ]" 1
230 1 17 ILE QG 1 18 PHE QB . . 6.240 4.715 4.682 4.804 . 0 0 "[ . 1 ]" 1
231 1 17 ILE MG 1 18 PHE HB2 . . 3.610 3.181 3.150 3.217 . 0 0 "[ . 1 ]" 1
232 1 18 PHE H 1 18 PHE HB2 . . 3.420 2.331 2.320 2.339 . 0 0 "[ . 1 ]" 1
233 1 18 PHE H 1 18 PHE QD . . 4.950 4.142 4.136 4.146 . 0 0 "[ . 1 ]" 1
234 1 18 PHE H 1 18 PHE QR . . 5.330 4.081 4.076 4.086 . 0 0 "[ . 1 ]" 1
235 1 18 PHE H 1 19 GLY H . . 3.800 2.748 2.714 2.776 . 0 0 "[ . 1 ]" 1
236 1 18 PHE HA 1 19 GLY H . . 4.370 3.567 3.565 3.570 . 0 0 "[ . 1 ]" 1
237 1 18 PHE HA 1 22 LEU QB . . 5.160 4.456 4.314 4.616 . 0 0 "[ . 1 ]" 1
238 1 18 PHE QB 1 19 GLY H . . 4.140 2.284 2.221 2.322 . 0 0 "[ . 1 ]" 1
239 1 18 PHE HB2 1 19 GLY H . . 3.690 3.555 3.521 3.573 . 0 0 "[ . 1 ]" 1
240 1 18 PHE HB3 2 16 VAL MG2 . . 4.190 2.658 2.454 2.781 . 0 0 "[ . 1 ]" 1
241 1 18 PHE QR 2 16 VAL MG1 . . 3.950 3.589 3.525 3.648 . 0 0 "[ . 1 ]" 1
242 1 18 PHE QR 2 16 VAL MG2 . . 3.800 3.753 3.678 3.804 0.004 8 0 "[ . 1 ]" 1
243 1 18 PHE QR 2 20 LEU QD . . 4.850 4.913 4.902 4.935 0.085 10 0 "[ . 1 ]" 1
244 1 19 GLY H 1 20 LEU H . . 3.910 2.503 2.483 2.525 . 0 0 "[ . 1 ]" 1
245 1 19 GLY H 2 16 VAL MG2 . . 4.750 3.228 3.066 3.319 . 0 0 "[ . 1 ]" 1
246 1 19 GLY QA 1 20 LEU HA . . 4.360 4.033 4.029 4.042 . 0 0 "[ . 1 ]" 1
247 1 19 GLY QA 1 20 LEU QB . . 5.080 4.284 4.273 4.304 . 0 0 "[ . 1 ]" 1
248 1 19 GLY QA 1 22 LEU QB . . 4.750 3.025 2.911 3.123 . 0 0 "[ . 1 ]" 1
249 1 19 GLY QA 1 22 LEU QD . . 4.730 3.845 3.619 4.077 . 0 0 "[ . 1 ]" 1
250 1 19 GLY QA 2 16 VAL MG1 . . 2.500 2.015 1.932 2.129 . 0 0 "[ . 1 ]" 1
251 1 19 GLY QA 2 16 VAL MG2 . . 3.640 3.667 3.644 3.680 0.040 1 0 "[ . 1 ]" 1
252 1 19 GLY HA2 2 20 LEU HA . . 4.180 4.191 4.123 4.214 0.034 4 0 "[ . 1 ]" 1
253 1 19 GLY HA2 2 20 LEU HB2 . . 4.870 2.977 2.879 3.212 . 0 0 "[ . 1 ]" 1
254 1 19 GLY HA2 2 20 LEU MD1 . . 3.570 3.511 3.466 3.556 . 0 0 "[ . 1 ]" 1
255 1 20 LEU H 1 20 LEU HB2 . . 4.250 2.834 2.811 2.847 . 0 0 "[ . 1 ]" 1
256 1 20 LEU H 1 20 LEU QB . . 3.860 2.162 2.158 2.168 . 0 0 "[ . 1 ]" 1
257 1 20 LEU H 1 20 LEU HB3 . . 4.050 2.243 2.236 2.253 . 0 0 "[ . 1 ]" 1
258 1 20 LEU H 1 20 LEU MD1 . . 4.310 4.253 4.237 4.263 . 0 0 "[ . 1 ]" 1
259 1 20 LEU H 1 20 LEU QD . . 4.700 3.763 3.759 3.767 . 0 0 "[ . 1 ]" 1
260 1 20 LEU H 1 20 LEU MD2 . . 4.190 4.197 4.193 4.205 0.015 8 0 "[ . 1 ]" 1
261 1 20 LEU H 1 20 LEU HG . . 4.200 4.245 4.236 4.261 0.061 7 0 "[ . 1 ]" 1
262 1 20 LEU HA 1 20 LEU HB3 . . 3.100 2.992 2.990 2.995 . 0 0 "[ . 1 ]" 1
263 1 20 LEU HA 1 20 LEU MD1 . . 2.400 2.343 2.313 2.379 . 0 0 "[ . 1 ]" 1
264 1 20 LEU HA 1 20 LEU QD . . 2.950 2.326 2.297 2.360 . 0 0 "[ . 1 ]" 1
265 1 20 LEU HA 1 20 LEU HG . . 3.950 3.397 3.373 3.416 . 0 0 "[ . 1 ]" 1
266 1 20 LEU HA 2 19 GLY HA2 . . 4.180 4.185 4.116 4.213 0.033 9 0 "[ . 1 ]" 1
267 1 20 LEU HB2 1 20 LEU MD1 . . 3.410 2.340 2.318 2.365 . 0 0 "[ . 1 ]" 1
268 1 20 LEU HB2 2 19 GLY HA2 . . 4.870 2.971 2.869 3.146 . 0 0 "[ . 1 ]" 1
269 1 20 LEU HB3 1 20 LEU MD2 . . 3.220 2.325 2.307 2.338 . 0 0 "[ . 1 ]" 1
270 1 20 LEU MD1 1 20 LEU MD2 . . 2.400 2.083 2.073 2.090 . 0 0 "[ . 1 ]" 1
271 1 20 LEU QD 1 24 ALA MB . . 3.990 3.050 2.893 3.240 . 0 0 "[ . 1 ]" 1
272 1 20 LEU QD 2 18 PHE QR . . 4.850 4.913 4.901 4.937 0.087 7 0 "[ . 1 ]" 1
273 1 20 LEU MD1 2 19 GLY HA2 . . 3.570 3.516 3.446 3.564 . 0 0 "[ . 1 ]" 1
274 1 20 LEU MD2 1 20 LEU HG . . 2.400 2.128 2.126 2.129 . 0 0 "[ . 1 ]" 1
275 1 21 LEU H 1 21 LEU QD . . 4.810 3.090 1.970 3.350 . 0 0 "[ . 1 ]" 1
276 1 21 LEU H 1 22 LEU H . . 4.510 2.766 2.710 2.828 . 0 0 "[ . 1 ]" 1
277 1 21 LEU HA 1 21 LEU QD . . 3.390 2.077 1.987 2.274 . 0 0 "[ . 1 ]" 1
278 1 21 LEU QB 1 22 LEU H . . 4.140 2.300 2.180 2.385 . 0 0 "[ . 1 ]" 1
279 1 22 LEU H 1 22 LEU QB . . 3.590 2.242 2.227 2.300 . 0 0 "[ . 1 ]" 1
280 1 22 LEU H 1 22 LEU QD . . 4.530 2.736 1.913 3.330 . 0 0 "[ . 1 ]" 1
281 1 22 LEU HA 1 22 LEU QD . . 3.620 2.313 2.000 2.848 . 0 0 "[ . 1 ]" 1
282 1 22 LEU HA 1 22 LEU HG . . 3.500 2.818 2.342 3.691 0.191 12 0 "[ . 1 ]" 1
283 1 23 GLY QA 1 24 ALA MB . . 5.000 4.015 3.999 4.029 . 0 0 "[ . 1 ]" 1
284 1 23 GLY QA 1 26 LEU H . . 5.000 4.085 4.050 4.145 . 0 0 "[ . 1 ]" 1
285 1 23 GLY HA2 2 24 ALA MB . . 4.450 3.949 3.788 4.154 . 0 0 "[ . 1 ]" 1
286 1 24 ALA HA 1 27 LEU QD . . 3.960 2.758 2.567 2.810 . 0 0 "[ . 1 ]" 1
287 1 24 ALA HA 1 27 LEU HG . . 4.850 4.883 4.865 4.904 0.054 11 0 "[ . 1 ]" 1
288 1 24 ALA HA 2 24 ALA MB . . 3.650 3.253 3.104 3.338 . 0 0 "[ . 1 ]" 1
289 1 24 ALA MB 1 25 ALA H . . 3.360 2.607 2.553 2.673 . 0 0 "[ . 1 ]" 1
290 1 24 ALA MB 1 28 LEU QD . . 4.130 4.142 4.136 4.151 0.021 4 0 "[ . 1 ]" 1
291 1 24 ALA MB 2 23 GLY HA2 . . 4.450 4.031 3.794 4.242 . 0 0 "[ . 1 ]" 1
292 1 24 ALA MB 2 24 ALA HA . . 3.650 3.188 3.082 3.340 . 0 0 "[ . 1 ]" 1
293 1 24 ALA MB 2 24 ALA MB . . 4.000 4.003 3.991 4.017 0.017 5 0 "[ . 1 ]" 1
294 1 24 ALA MB 2 27 LEU QD . . 3.110 1.868 1.791 2.022 . 0 0 "[ . 1 ]" 1
295 1 25 ALA H 1 25 ALA MB . . 2.930 2.226 2.213 2.237 . 0 0 "[ . 1 ]" 1
296 1 25 ALA H 1 26 LEU H . . 4.120 3.003 2.956 3.012 . 0 0 "[ . 1 ]" 1
297 1 25 ALA HA 1 28 LEU HB2 . . 4.110 3.951 3.712 4.114 0.004 7 0 "[ . 1 ]" 1
298 1 25 ALA HA 1 28 LEU HB3 . . 4.110 3.560 3.493 3.624 . 0 0 "[ . 1 ]" 1
299 1 25 ALA HA 1 28 LEU QD . . 3.850 3.869 3.853 3.880 0.030 11 0 "[ . 1 ]" 1
300 1 25 ALA MB 1 26 LEU H . . 4.460 2.200 2.141 2.260 . 0 0 "[ . 1 ]" 1
301 1 26 LEU H 1 26 LEU QB . . 3.740 2.214 2.173 2.230 . 0 0 "[ . 1 ]" 1
302 1 26 LEU H 1 26 LEU QD . . 4.680 3.645 3.509 3.743 . 0 0 "[ . 1 ]" 1
303 1 26 LEU HA 1 26 LEU QD . . 2.610 2.141 1.975 2.257 . 0 0 "[ . 1 ]" 1
304 1 26 LEU HA 1 26 LEU HG . . 3.500 3.123 2.842 3.311 . 0 0 "[ . 1 ]" 1
305 1 26 LEU HA 1 29 GLY QA . . 4.140 3.697 3.621 3.766 . 0 0 "[ . 1 ]" 1
306 1 26 LEU QB 1 26 LEU HG . . 2.400 2.362 2.317 2.398 . 0 0 "[ . 1 ]" 1
307 1 27 LEU H 1 27 LEU QB . . 3.630 2.172 2.154 2.231 . 0 0 "[ . 1 ]" 1
308 1 27 LEU H 1 27 LEU QD . . 4.630 3.719 3.674 3.727 . 0 0 "[ . 1 ]" 1
309 1 27 LEU H 1 28 LEU H . . 4.360 2.868 2.813 2.992 . 0 0 "[ . 1 ]" 1
310 1 27 LEU HA 1 27 LEU QD . . 2.500 2.552 2.522 2.566 0.066 10 0 "[ . 1 ]" 1
311 1 27 LEU HA 1 27 LEU HG . . 3.880 2.568 2.503 2.873 . 0 0 "[ . 1 ]" 1
312 1 27 LEU HA 1 30 ILE HB . . 3.820 3.415 3.346 3.569 . 0 0 "[ . 1 ]" 1
313 1 27 LEU QB 1 27 LEU QD . . 2.620 1.892 1.786 1.912 . 0 0 "[ . 1 ]" 1
314 1 27 LEU QB 2 27 LEU MD1 . . 4.000 3.527 2.317 4.032 0.032 4 0 "[ . 1 ]" 1
315 1 27 LEU HB2 1 27 LEU QD . . 3.180 2.176 2.060 2.205 . 0 0 "[ . 1 ]" 1
316 1 27 LEU HB3 1 27 LEU QD . . 3.180 2.081 1.954 2.100 . 0 0 "[ . 1 ]" 1
317 1 27 LEU QD 2 24 ALA MB . . 3.110 1.806 1.779 1.869 . 0 0 "[ . 1 ]" 1
318 1 27 LEU MD1 2 27 LEU QB . . 4.000 2.851 2.343 4.031 0.031 3 0 "[ . 1 ]" 1
319 1 28 LEU H 1 28 LEU QB . . 3.300 2.175 2.158 2.196 . 0 0 "[ . 1 ]" 1
320 1 28 LEU H 1 28 LEU QD . . 4.110 3.584 3.523 3.715 . 0 0 "[ . 1 ]" 1
321 1 28 LEU H 1 29 GLY H . . 4.220 2.791 2.756 2.834 . 0 0 "[ . 1 ]" 1
322 1 28 LEU HA 1 28 LEU QB . . 2.690 2.419 2.399 2.432 . 0 0 "[ . 1 ]" 1
323 1 28 LEU HA 1 28 LEU QD . . 2.770 2.574 2.339 2.791 0.021 10 0 "[ . 1 ]" 1
324 1 28 LEU HA 1 28 LEU HG . . 3.740 2.605 2.419 2.727 . 0 0 "[ . 1 ]" 1
325 1 28 LEU HA 1 32 VAL QG . . 3.960 3.827 3.643 3.945 . 0 0 "[ . 1 ]" 1
326 1 28 LEU QB 1 28 LEU QD . . 2.890 1.783 1.740 1.855 . 0 0 "[ . 1 ]" 1
327 1 28 LEU QB 1 29 GLY H . . 4.120 2.533 2.365 2.611 . 0 0 "[ . 1 ]" 1
328 1 28 LEU QD 1 29 GLY H . . 4.480 3.842 3.298 4.026 . 0 0 "[ . 1 ]" 1
329 1 29 GLY H 1 30 ILE H . . 4.130 2.967 2.828 3.057 . 0 0 "[ . 1 ]" 1
330 1 29 GLY QA 1 30 ILE MD . . 4.520 4.160 3.993 4.517 . 0 0 "[ . 1 ]" 1
331 1 30 ILE H 1 30 ILE HB . . 3.500 2.601 2.551 2.625 . 0 0 "[ . 1 ]" 1
332 1 30 ILE H 1 30 ILE MD . . 4.070 3.089 2.819 3.276 . 0 0 "[ . 1 ]" 1
333 1 30 ILE H 1 30 ILE QG . . 4.350 1.997 1.960 2.103 . 0 0 "[ . 1 ]" 1
334 1 30 ILE H 1 30 ILE MG . . 4.130 3.766 3.763 3.767 . 0 0 "[ . 1 ]" 1
335 1 30 ILE H 1 31 LEU H . . 4.130 2.806 2.733 2.906 . 0 0 "[ . 1 ]" 1
336 1 30 ILE H 1 32 VAL H . . 4.490 4.303 3.977 4.523 0.033 5 0 "[ . 1 ]" 1
337 1 30 ILE HA 1 30 ILE MD . . 3.850 2.172 1.989 3.847 . 0 0 "[ . 1 ]" 1
338 1 30 ILE HA 1 30 ILE QG . . 3.960 2.874 2.422 2.955 . 0 0 "[ . 1 ]" 1
339 1 30 ILE HA 1 30 ILE MG . . 3.460 2.347 2.272 2.393 . 0 0 "[ . 1 ]" 1
340 1 30 ILE HA 1 33 PHE H . . 4.590 3.278 3.162 3.374 . 0 0 "[ . 1 ]" 1
341 1 30 ILE HA 1 33 PHE HB2 . . 4.290 2.265 1.998 2.639 . 0 0 "[ . 1 ]" 1
342 1 30 ILE HA 1 33 PHE QB . . 3.630 2.248 1.987 2.616 . 0 0 "[ . 1 ]" 1
343 1 30 ILE HA 1 33 PHE HB3 . . 4.290 3.821 3.495 4.284 . 0 0 "[ . 1 ]" 1
344 1 30 ILE HA 1 34 ARG H . . 4.410 4.344 4.051 4.471 0.061 9 0 "[ . 1 ]" 1
345 1 30 ILE HB 1 30 ILE MD . . 3.550 3.137 2.172 3.230 . 0 0 "[ . 1 ]" 1
346 1 30 ILE HB 1 31 LEU H . . 4.170 2.628 2.344 2.860 . 0 0 "[ . 1 ]" 1
347 1 30 ILE MD 1 30 ILE MG . . 3.810 2.052 1.932 2.508 . 0 0 "[ . 1 ]" 1
348 1 30 ILE MG 1 31 LEU HA . . 3.520 3.477 3.365 3.528 0.008 5 0 "[ . 1 ]" 1
349 1 30 ILE MG 1 33 PHE HB2 . . 4.680 3.519 3.300 3.818 . 0 0 "[ . 1 ]" 1
350 1 30 ILE MG 1 33 PHE QB . . 4.040 3.394 3.192 3.659 . 0 0 "[ . 1 ]" 1
351 1 30 ILE MG 1 33 PHE HB3 . . 4.680 4.462 4.246 4.687 0.007 9 0 "[ . 1 ]" 1
352 1 31 LEU H 1 31 LEU QD . . 4.190 3.105 1.971 3.361 . 0 0 "[ . 1 ]" 1
353 1 31 LEU H 1 32 VAL H . . 4.140 2.724 2.622 2.871 . 0 0 "[ . 1 ]" 1
354 1 31 LEU HA 1 31 LEU QD . . 2.670 2.085 1.983 2.180 . 0 0 "[ . 1 ]" 1
355 1 31 LEU HA 1 31 LEU HG . . 3.640 3.004 2.849 3.704 0.064 7 0 "[ . 1 ]" 1
356 1 31 LEU HA 1 34 ARG H . . 4.730 3.794 3.507 4.050 . 0 0 "[ . 1 ]" 1
357 1 32 VAL H 1 32 VAL HB . . 3.670 2.525 2.482 2.624 . 0 0 "[ . 1 ]" 1
358 1 32 VAL H 1 32 VAL MG1 . . 4.410 3.775 3.768 3.782 . 0 0 "[ . 1 ]" 1
359 1 32 VAL H 1 32 VAL QG . . 3.490 2.242 2.044 2.353 . 0 0 "[ . 1 ]" 1
360 1 32 VAL H 1 32 VAL MG2 . . 4.410 2.260 2.052 2.377 . 0 0 "[ . 1 ]" 1
361 1 32 VAL H 1 33 PHE H . . 3.590 2.445 2.398 2.551 . 0 0 "[ . 1 ]" 1
362 1 32 VAL HA 1 32 VAL MG1 . . 3.640 2.306 2.210 2.378 . 0 0 "[ . 1 ]" 1
363 1 32 VAL HA 1 32 VAL QG . . 3.070 2.091 2.042 2.128 . 0 0 "[ . 1 ]" 1
364 1 32 VAL HA 1 32 VAL MG2 . . 3.640 2.396 2.327 2.451 . 0 0 "[ . 1 ]" 1
365 1 32 VAL HA 1 35 SER H . . 4.320 3.721 2.787 4.332 0.012 9 0 "[ . 1 ]" 1
366 1 32 VAL HB 1 33 PHE H . . 3.830 2.810 2.507 3.081 . 0 0 "[ . 1 ]" 1
367 1 32 VAL QG 1 36 ARG HA . . 4.870 4.792 4.433 4.941 0.071 5 0 "[ . 1 ]" 1
368 1 32 VAL MG1 1 33 PHE H . . 4.490 3.659 3.403 3.887 . 0 0 "[ . 1 ]" 1
369 1 32 VAL MG2 1 33 PHE H . . 4.490 3.871 3.731 3.966 . 0 0 "[ . 1 ]" 1
370 1 33 PHE H 1 33 PHE HB2 . . 3.810 2.280 2.254 2.326 . 0 0 "[ . 1 ]" 1
371 1 33 PHE H 1 33 PHE HB3 . . 3.810 3.548 3.533 3.565 . 0 0 "[ . 1 ]" 1
372 1 34 ARG H 1 34 ARG HB2 . . 4.080 2.508 2.122 3.762 . 0 0 "[ . 1 ]" 1
373 1 34 ARG H 1 34 ARG QB . . 3.430 2.396 2.084 2.904 . 0 0 "[ . 1 ]" 1
374 1 34 ARG H 1 34 ARG HB3 . . 4.080 3.400 2.915 3.771 . 0 0 "[ . 1 ]" 1
375 1 34 ARG H 1 34 ARG HD2 . . 4.360 4.083 3.580 4.363 0.003 8 0 "[ . 1 ]" 1
376 1 34 ARG H 1 34 ARG QD . . 3.640 3.517 3.012 3.688 0.048 2 0 "[ . 1 ]" 1
377 1 34 ARG H 1 34 ARG HD3 . . 4.360 3.899 3.198 4.444 0.084 5 0 "[ . 1 ]" 1
378 1 34 ARG H 1 34 ARG QG . . 4.180 3.075 2.015 4.042 . 0 0 "[ . 1 ]" 1
379 1 34 ARG H 1 35 SER H . . 3.600 2.596 1.884 3.176 . 0 0 "[ . 1 ]" 1
380 1 34 ARG H 1 36 ARG H . . 4.740 4.631 4.291 4.846 0.106 4 0 "[ . 1 ]" 1
381 1 34 ARG HA 1 34 ARG HD2 . . 3.960 2.509 2.008 4.176 0.216 5 0 "[ . 1 ]" 1
382 1 34 ARG HA 1 34 ARG HD3 . . 3.960 3.169 2.560 4.077 0.117 5 0 "[ . 1 ]" 1
383 1 34 ARG HA 1 34 ARG QG . . 3.630 2.744 2.120 3.442 . 0 0 "[ . 1 ]" 1
384 1 34 ARG QB 1 34 ARG QD . . 3.010 2.226 2.041 2.394 . 0 0 "[ . 1 ]" 1
385 1 34 ARG QB 1 36 ARG QG . . 3.800 3.605 2.819 4.165 0.365 9 0 "[ . 1 ]" 1
386 1 34 ARG HB2 1 35 SER H . . 4.200 3.180 2.067 4.210 0.010 10 0 "[ . 1 ]" 1
387 1 34 ARG HB3 1 35 SER H . . 4.200 3.288 1.949 4.379 0.179 2 0 "[ . 1 ]" 1
388 1 35 SER H 1 35 SER QB . . 3.330 2.663 2.233 2.978 . 0 0 "[ . 1 ]" 1
389 1 35 SER H 1 36 ARG H . . 3.500 3.048 2.523 3.599 0.099 9 0 "[ . 1 ]" 1
390 1 35 SER QB 1 36 ARG H . . 4.280 3.859 2.313 4.057 . 0 0 "[ . 1 ]" 1
391 1 36 ARG H 1 36 ARG QB . . 3.920 3.009 2.560 3.467 . 0 0 "[ . 1 ]" 1
392 1 36 ARG H 1 36 ARG QD . . 4.550 4.278 3.815 4.591 0.041 8 0 "[ . 1 ]" 1
393 1 36 ARG H 1 36 ARG QG . . 3.520 2.606 1.906 3.579 0.059 10 0 "[ . 1 ]" 1
394 1 36 ARG H 1 37 ARG H . . 3.660 2.695 1.944 3.752 0.092 8 0 "[ . 1 ]" 1
395 1 36 ARG H 1 37 ARG QB . . 3.850 3.742 3.456 4.163 0.313 7 0 "[ . 1 ]" 1
396 1 36 ARG HA 1 36 ARG QD . . 4.290 3.893 1.981 4.361 0.071 9 0 "[ . 1 ]" 1
397 1 36 ARG HA 1 36 ARG HG2 . . 3.960 3.030 2.385 3.674 . 0 0 "[ . 1 ]" 1
398 1 36 ARG HA 1 36 ARG QG . . 3.090 2.845 2.277 3.300 0.210 12 0 "[ . 1 ]" 1
399 1 36 ARG HA 1 36 ARG HG3 . . 3.960 3.525 2.698 3.819 . 0 0 "[ . 1 ]" 1
400 1 36 ARG HA 1 37 ARG QB . . 4.700 4.363 4.177 4.626 . 0 0 "[ . 1 ]" 1
401 1 36 ARG QB 1 38 ALA H . . 6.240 3.101 2.269 4.451 . 0 0 "[ . 1 ]" 1
402 1 36 ARG QG 1 37 ARG H . . 4.040 3.581 2.059 4.196 0.156 8 0 "[ . 1 ]" 1
403 1 36 ARG QG 1 38 ALA H . . 4.840 4.557 3.816 4.829 . 0 0 "[ . 1 ]" 1
404 1 37 ARG H 1 37 ARG HA . . 2.930 2.534 2.274 2.934 0.004 10 0 "[ . 1 ]" 1
405 1 37 ARG H 1 37 ARG QB . . 3.900 2.713 2.261 2.967 . 0 0 "[ . 1 ]" 1
406 1 37 ARG H 1 37 ARG QD . . 4.440 4.114 3.349 4.446 0.006 10 0 "[ . 1 ]" 1
407 1 37 ARG HA 1 37 ARG QB . . 2.670 2.475 2.398 2.533 . 0 0 "[ . 1 ]" 1
408 1 37 ARG HA 1 37 ARG QD . . 3.790 2.981 2.166 3.776 . 0 0 "[ . 1 ]" 1
409 1 37 ARG HA 1 37 ARG QG . . 3.390 2.275 2.061 2.479 . 0 0 "[ . 1 ]" 1
410 1 37 ARG HA 1 38 ALA H . . 3.410 2.811 2.485 2.973 . 0 0 "[ . 1 ]" 1
411 1 37 ARG QB 1 37 ARG QD . . 3.070 2.112 1.953 2.364 . 0 0 "[ . 1 ]" 1
412 1 37 ARG QB 1 37 ARG QG . . 2.380 2.022 1.999 2.060 . 0 0 "[ . 1 ]" 1
413 2 1 SER HA 2 2 PRO HD2 . . 3.640 2.365 2.067 2.512 . 0 0 "[ . 1 ]" 1
414 2 1 SER HA 2 2 PRO QD . . 3.110 2.115 2.024 2.157 . 0 0 "[ . 1 ]" 1
415 2 1 SER HA 2 2 PRO HD3 . . 3.640 2.536 2.344 2.955 . 0 0 "[ . 1 ]" 1
416 2 2 PRO HA 2 3 PRO HD2 . . 2.940 2.480 2.333 2.543 . 0 0 "[ . 1 ]" 1
417 2 2 PRO HA 2 3 PRO QD . . 2.520 2.141 2.056 2.180 . 0 0 "[ . 1 ]" 1
418 2 2 PRO HA 2 3 PRO HD3 . . 2.940 2.341 2.285 2.371 . 0 0 "[ . 1 ]" 1
419 2 2 PRO QB 2 3 PRO QB . . 4.960 4.578 4.515 4.729 . 0 0 "[ . 1 ]" 1
420 2 2 PRO QB 2 3 PRO QD . . 3.960 2.097 1.983 2.358 . 0 0 "[ . 1 ]" 1
421 2 2 PRO QB 2 6 ARG QB . . 3.560 2.851 2.156 3.609 0.049 7 0 "[ . 1 ]" 1
422 2 3 PRO QB 2 4 VAL H . . 4.380 2.957 1.941 3.629 . 0 0 "[ . 1 ]" 1
423 2 4 VAL H 2 4 VAL HB . . 4.000 3.563 2.609 3.886 . 0 0 "[ . 1 ]" 1
424 2 4 VAL H 2 4 VAL QG . . 3.810 2.539 2.227 2.716 . 0 0 "[ . 1 ]" 1
425 2 4 VAL H 2 5 SER H . . 4.970 4.233 2.919 4.560 . 0 0 "[ . 1 ]" 1
426 2 4 VAL H 2 6 ARG QB . . 4.710 4.433 3.761 4.919 0.209 12 0 "[ . 1 ]" 1
427 2 4 VAL HA 2 5 SER H . . 3.160 2.437 2.320 2.604 . 0 0 "[ . 1 ]" 1
428 2 4 VAL HB 2 5 SER H . . 4.550 3.304 1.955 4.401 . 0 0 "[ . 1 ]" 1
429 2 4 VAL QG 2 5 SER H . . 4.750 2.414 1.897 3.571 . 0 0 "[ . 1 ]" 1
430 2 5 SER H 2 5 SER QB . . 3.360 3.002 2.842 3.415 0.055 1 0 "[ . 1 ]" 1
431 2 5 SER H 2 9 THR HB . . 4.600 4.565 3.953 4.630 0.030 1 0 "[ . 1 ]" 1
432 2 5 SER HA 2 6 ARG H . . 3.360 2.840 2.547 3.503 0.143 8 0 "[ . 1 ]" 1
433 2 5 SER QB 2 6 ARG H . . 4.700 3.523 2.207 4.010 . 0 0 "[ . 1 ]" 1
434 2 6 ARG H 2 6 ARG HB2 . . 4.140 2.810 2.282 3.423 . 0 0 "[ . 1 ]" 1
435 2 6 ARG H 2 6 ARG QB . . 3.550 2.735 2.255 3.258 . 0 0 "[ . 1 ]" 1
436 2 6 ARG H 2 6 ARG HB3 . . 4.140 3.817 3.533 4.091 . 0 0 "[ . 1 ]" 1
437 2 6 ARG H 2 6 ARG QD . . 4.600 4.257 3.693 4.475 . 0 0 "[ . 1 ]" 1
438 2 6 ARG H 2 6 ARG QG . . 3.920 3.221 2.154 3.538 . 0 0 "[ . 1 ]" 1
439 2 6 ARG HA 2 6 ARG HD2 . . 4.320 3.593 3.582 3.617 . 0 0 "[ . 1 ]" 1
440 2 6 ARG HA 2 6 ARG QD . . 4.420 2.000 1.979 2.069 . 0 0 "[ . 1 ]" 1
441 2 6 ARG HA 2 6 ARG HD3 . . 4.320 2.010 1.988 2.082 . 0 0 "[ . 1 ]" 1
442 2 6 ARG HA 2 6 ARG HG2 . . 3.680 2.889 2.760 3.072 . 0 0 "[ . 1 ]" 1
443 2 6 ARG HA 2 6 ARG QG . . 3.730 2.790 2.681 2.938 . 0 0 "[ . 1 ]" 1
444 2 6 ARG HA 2 6 ARG HG3 . . 3.680 3.683 3.639 3.742 0.062 8 0 "[ . 1 ]" 1
445 2 6 ARG HA 2 7 GLY H . . 3.250 2.763 2.649 2.863 . 0 0 "[ . 1 ]" 1
446 2 6 ARG QB 2 6 ARG QD . . 3.040 2.307 2.297 2.315 . 0 0 "[ . 1 ]" 1
447 2 6 ARG QB 2 6 ARG QG . . 2.400 1.999 1.997 2.003 . 0 0 "[ . 1 ]" 1
448 2 6 ARG QB 2 7 GLY H . . 3.770 3.036 1.903 3.870 0.100 9 0 "[ . 1 ]" 1
449 2 6 ARG QB 2 8 LEU QD . . 4.290 4.219 4.193 4.267 . 0 0 "[ . 1 ]" 1
450 2 6 ARG HB2 2 6 ARG HD2 . . 4.200 4.024 3.979 4.042 . 0 0 "[ . 1 ]" 1
451 2 6 ARG HB2 2 6 ARG HD3 . . 4.200 3.520 3.517 3.527 . 0 0 "[ . 1 ]" 1
452 2 6 ARG HB2 2 6 ARG HG2 . . 2.400 2.455 2.445 2.471 0.071 1 0 "[ . 1 ]" 1
453 2 6 ARG HB2 2 6 ARG HG3 . . 2.400 2.411 2.396 2.420 0.020 8 0 "[ . 1 ]" 1
454 2 6 ARG HB2 2 7 GLY H . . 4.760 3.840 3.132 4.298 . 0 0 "[ . 1 ]" 1
455 2 6 ARG HB2 2 8 LEU MD1 . . 4.540 4.647 4.585 4.758 0.218 11 0 "[ . 1 ]" 1
456 2 6 ARG HB3 2 6 ARG HD2 . . 3.120 3.123 3.041 3.157 0.037 7 0 "[ . 1 ]" 1
457 2 6 ARG HB3 2 6 ARG HD3 . . 3.120 2.436 2.418 2.451 . 0 0 "[ . 1 ]" 1
458 2 6 ARG HB3 2 6 ARG HG2 . . 3.000 3.012 3.011 3.012 0.012 7 0 "[ . 1 ]" 1
459 2 6 ARG HB3 2 6 ARG HG3 . . 2.400 2.446 2.436 2.463 0.063 1 0 "[ . 1 ]" 1
460 2 6 ARG HB3 2 7 GLY H . . 4.760 3.361 1.914 4.397 . 0 0 "[ . 1 ]" 1
461 2 6 ARG HD2 2 6 ARG HG2 . . 2.900 2.863 2.850 2.893 . 0 0 "[ . 1 ]" 1
462 2 6 ARG HD2 2 6 ARG HG3 . . 2.400 2.222 2.218 2.228 . 0 0 "[ . 1 ]" 1
463 2 6 ARG HD3 2 6 ARG HG2 . . 2.900 2.813 2.778 2.826 . 0 0 "[ . 1 ]" 1
464 2 6 ARG HD3 2 6 ARG HG3 . . 2.800 2.862 2.851 2.892 0.092 1 0 "[ . 1 ]" 1
465 2 6 ARG QG 2 7 GLY H . . 4.820 4.432 3.783 4.813 . 0 0 "[ . 1 ]" 1
466 2 7 GLY H 2 7 GLY HA2 . . 2.880 2.539 2.295 2.898 0.018 8 0 "[ . 1 ]" 1
467 2 7 GLY H 2 7 GLY HA3 . . 3.140 2.600 2.309 2.806 . 0 0 "[ . 1 ]" 1
468 2 7 GLY H 2 8 LEU H . . 3.720 2.698 2.652 2.783 . 0 0 "[ . 1 ]" 1
469 2 7 GLY HA2 2 8 LEU H . . 3.060 3.144 3.076 3.271 0.211 10 0 "[ . 1 ]" 1
470 2 7 GLY HA3 2 8 LEU H . . 3.410 3.385 3.285 3.433 0.023 9 0 "[ . 1 ]" 1
471 2 8 LEU H 2 8 LEU HB3 . . 3.360 2.881 2.742 2.991 . 0 0 "[ . 1 ]" 1
472 2 8 LEU H 2 8 LEU MD1 . . 3.940 3.990 3.904 4.030 0.090 7 0 "[ . 1 ]" 1
473 2 8 LEU H 2 8 LEU MD2 . . 4.940 4.254 4.247 4.259 . 0 0 "[ . 1 ]" 1
474 2 8 LEU HA 2 8 LEU MD1 . . 3.200 3.248 3.225 3.268 0.068 11 0 "[ . 1 ]" 1
475 2 8 LEU HA 2 8 LEU QD . . 3.330 1.984 1.966 2.035 . 0 0 "[ . 1 ]" 1
476 2 8 LEU HA 2 8 LEU MD2 . . 2.400 2.002 1.982 2.056 . 0 0 "[ . 1 ]" 1
477 2 8 LEU HA 2 8 LEU HG . . 4.170 3.701 3.695 3.710 . 0 0 "[ . 1 ]" 1
478 2 8 LEU HB2 2 8 LEU MD1 . . 3.240 3.150 3.149 3.150 . 0 0 "[ . 1 ]" 1
479 2 8 LEU HB2 2 8 LEU MD2 . . 2.780 2.495 2.479 2.501 . 0 0 "[ . 1 ]" 1
480 2 8 LEU HB2 2 8 LEU HG . . 2.400 2.334 2.332 2.335 . 0 0 "[ . 1 ]" 1
481 2 8 LEU HB3 2 8 LEU MD1 . . 3.040 2.106 2.095 2.115 . 0 0 "[ . 1 ]" 1
482 2 8 LEU HB3 2 8 LEU MD2 . . 3.200 3.181 3.180 3.183 . 0 0 "[ . 1 ]" 1
483 2 8 LEU HB3 2 8 LEU HG . . 2.550 2.546 2.544 2.549 . 0 0 "[ . 1 ]" 1
484 2 8 LEU MD1 2 8 LEU MD2 . . 2.400 2.052 2.042 2.065 . 0 0 "[ . 1 ]" 1
485 2 8 LEU MD1 2 9 THR H . . 4.710 2.968 2.839 3.005 . 0 0 "[ . 1 ]" 1
486 2 8 LEU MD1 2 10 GLY HA2 . . 4.110 4.164 4.124 4.178 0.068 1 0 "[ . 1 ]" 1
487 2 8 LEU MD2 2 9 THR MG . . 3.850 3.933 3.905 3.939 0.089 8 0 "[ . 1 ]" 1
488 2 9 THR H 2 9 THR HB . . 3.940 3.931 3.922 3.936 . 0 0 "[ . 1 ]" 1
489 2 9 THR H 2 9 THR MG . . 4.210 2.465 2.440 2.533 . 0 0 "[ . 1 ]" 1
490 2 9 THR H 2 10 GLY H . . 5.010 4.425 4.421 4.432 . 0 0 "[ . 1 ]" 1
491 2 9 THR H 2 12 GLU HB2 . . 4.500 2.324 2.292 2.330 . 0 0 "[ . 1 ]" 1
492 2 9 THR H 2 12 GLU HB3 . . 4.220 3.598 3.565 3.606 . 0 0 "[ . 1 ]" 1
493 2 9 THR H 2 12 GLU HG3 . . 4.150 1.911 1.896 1.915 . 0 0 "[ . 1 ]" 1
494 2 9 THR HA 2 9 THR MG . . 2.990 2.696 2.678 2.702 . 0 0 "[ . 1 ]" 1
495 2 9 THR HA 2 10 GLY H . . 3.090 2.369 2.367 2.374 . 0 0 "[ . 1 ]" 1
496 2 9 THR HB 2 10 GLY H . . 3.520 2.750 2.734 2.755 . 0 0 "[ . 1 ]" 1
497 2 9 THR HB 2 11 GLY H . . 4.070 3.683 3.674 3.695 . 0 0 "[ . 1 ]" 1
498 2 9 THR MG 2 10 GLY H . . 4.030 4.090 4.082 4.092 0.062 2 0 "[ . 1 ]" 1
499 2 9 THR MG 2 11 GLY H . . 4.510 4.454 4.443 4.468 . 0 0 "[ . 1 ]" 1
500 2 9 THR MG 2 12 GLU H . . 4.630 3.815 3.806 3.830 . 0 0 "[ . 1 ]" 1
501 2 9 THR MG 2 12 GLU HB3 . . 4.330 4.348 4.336 4.359 0.029 12 0 "[ . 1 ]" 1
502 2 9 THR MG 2 12 GLU HG3 . . 4.270 2.052 2.045 2.060 . 0 0 "[ . 1 ]" 1
503 2 10 GLY H 2 11 GLY H . . 3.690 2.905 2.900 2.914 . 0 0 "[ . 1 ]" 1
504 2 10 GLY H 2 13 ILE MD . . 4.270 3.725 3.720 3.728 . 0 0 "[ . 1 ]" 1
505 2 10 GLY HA2 2 13 ILE H . . 3.510 3.549 3.542 3.554 0.044 3 0 "[ . 1 ]" 1
506 2 10 GLY HA2 2 13 ILE MD . . 3.550 2.147 2.142 2.152 . 0 0 "[ . 1 ]" 1
507 2 10 GLY HA2 2 13 ILE MG . . 4.720 4.389 4.379 4.398 . 0 0 "[ . 1 ]" 1
508 2 10 GLY HA2 2 14 VAL H . . 4.120 4.127 4.120 4.134 0.014 8 0 "[ . 1 ]" 1
509 2 10 GLY HA3 2 13 ILE H . . 4.800 4.741 4.731 4.753 . 0 0 "[ . 1 ]" 1
510 2 10 GLY HA3 2 13 ILE MD . . 3.680 3.719 3.715 3.722 0.042 6 0 "[ . 1 ]" 1
511 2 11 GLY H 2 11 GLY HA3 . . 3.090 2.295 2.294 2.295 . 0 0 "[ . 1 ]" 1
512 2 11 GLY H 2 12 GLU H . . 3.730 2.685 2.679 2.690 . 0 0 "[ . 1 ]" 1
513 2 11 GLY H 2 12 GLU HG2 . . 4.540 4.618 4.612 4.633 0.093 9 0 "[ . 1 ]" 1
514 2 11 GLY H 2 12 GLU HG3 . . 4.820 4.171 4.161 4.191 . 0 0 "[ . 1 ]" 1
515 2 11 GLY H 2 13 ILE H . . 4.330 4.335 4.327 4.349 0.019 3 0 "[ . 1 ]" 1
516 2 11 GLY H 2 14 VAL MG1 . . 4.730 4.420 4.411 4.433 . 0 0 "[ . 1 ]" 1
517 2 11 GLY H 2 14 VAL MG2 . . 4.670 4.323 4.315 4.333 . 0 0 "[ . 1 ]" 1
518 2 11 GLY QA 2 14 VAL QG . . 4.190 2.041 2.033 2.050 . 0 0 "[ . 1 ]" 1
519 2 11 GLY HA2 2 12 GLU H . . 4.100 3.507 3.505 3.508 . 0 0 "[ . 1 ]" 1
520 2 11 GLY HA2 2 14 VAL H . . 4.150 3.766 3.753 3.776 . 0 0 "[ . 1 ]" 1
521 2 11 GLY HA2 2 14 VAL MG1 . . 3.710 3.038 3.031 3.046 . 0 0 "[ . 1 ]" 1
522 2 11 GLY HA2 2 15 ALA H . . 4.440 3.975 3.943 4.005 . 0 0 "[ . 1 ]" 1
523 2 11 GLY HA3 2 14 VAL MG1 . . 4.470 4.545 4.538 4.552 0.082 8 0 "[ . 1 ]" 1
524 2 12 GLU H 2 12 GLU HB2 . . 3.860 2.732 2.723 2.735 . 0 0 "[ . 1 ]" 1
525 2 12 GLU H 2 12 GLU HB3 . . 4.350 3.582 3.581 3.583 . 0 0 "[ . 1 ]" 1
526 2 12 GLU H 2 12 GLU HG2 . . 3.930 2.492 2.484 2.499 . 0 0 "[ . 1 ]" 1
527 2 12 GLU H 2 12 GLU HG3 . . 3.460 2.246 2.240 2.260 . 0 0 "[ . 1 ]" 1
528 2 12 GLU H 2 13 ILE H . . 3.580 2.606 2.600 2.610 . 0 0 "[ . 1 ]" 1
529 2 12 GLU H 2 13 ILE MD . . 4.970 3.724 3.718 3.735 . 0 0 "[ . 1 ]" 1
530 2 12 GLU HA 2 12 GLU HG3 . . 4.110 3.628 3.625 3.630 . 0 0 "[ . 1 ]" 1
531 2 12 GLU HA 2 13 ILE H . . 4.010 3.536 3.534 3.538 . 0 0 "[ . 1 ]" 1
532 2 12 GLU HA 2 15 ALA MB . . 3.860 2.453 2.440 2.465 . 0 0 "[ . 1 ]" 1
533 2 12 GLU QB 2 15 ALA MB . . 5.160 4.042 4.030 4.055 . 0 0 "[ . 1 ]" 1
534 2 12 GLU HB2 2 13 ILE H . . 3.520 2.592 2.574 2.606 . 0 0 "[ . 1 ]" 1
535 2 12 GLU HB2 2 13 ILE MD . . 2.820 2.872 2.869 2.883 0.063 9 0 "[ . 1 ]" 1
536 2 12 GLU HB3 2 13 ILE MD . . 4.370 4.397 4.394 4.403 0.033 12 0 "[ . 1 ]" 1
537 2 12 GLU HB3 2 15 ALA MB . . 4.400 4.316 4.301 4.330 . 0 0 "[ . 1 ]" 1
538 2 12 GLU HG3 2 13 ILE H . . 4.170 3.913 3.906 3.939 . 0 0 "[ . 1 ]" 1
539 2 13 ILE H 2 13 ILE HB . . 3.300 2.389 2.384 2.393 . 0 0 "[ . 1 ]" 1
540 2 13 ILE H 2 13 ILE MD . . 3.880 2.352 2.342 2.370 . 0 0 "[ . 1 ]" 1
541 2 13 ILE H 2 13 ILE QG . . 3.860 2.955 2.944 2.960 . 0 0 "[ . 1 ]" 1
542 2 13 ILE H 2 13 ILE MG . . 3.730 3.731 3.729 3.732 0.002 3 0 "[ . 1 ]" 1
543 2 13 ILE HA 2 13 ILE MD . . 3.410 3.434 3.430 3.440 0.030 9 0 "[ . 1 ]" 1
544 2 13 ILE HA 2 13 ILE QG . . 3.980 2.171 2.168 2.173 . 0 0 "[ . 1 ]" 1
545 2 13 ILE HA 2 13 ILE MG . . 2.630 2.474 2.473 2.476 . 0 0 "[ . 1 ]" 1
546 2 13 ILE HA 2 14 VAL H . . 4.300 3.568 3.568 3.569 . 0 0 "[ . 1 ]" 1
547 2 13 ILE HA 2 16 VAL H . . 3.900 3.595 3.578 3.642 . 0 0 "[ . 1 ]" 1
548 2 13 ILE HA 2 16 VAL HB . . 3.100 3.145 3.137 3.161 0.061 11 0 "[ . 1 ]" 1
549 2 13 ILE HA 2 16 VAL MG1 . . 4.980 4.470 4.460 4.477 . 0 0 "[ . 1 ]" 1
550 2 13 ILE HA 2 16 VAL QG . . 3.430 3.172 3.067 3.356 . 0 0 "[ . 1 ]" 1
551 2 13 ILE HA 2 16 VAL MG2 . . 4.980 3.248 3.124 3.467 . 0 0 "[ . 1 ]" 1
552 2 13 ILE HB 2 13 ILE MD . . 3.070 2.036 2.033 2.042 . 0 0 "[ . 1 ]" 1
553 2 13 ILE HB 2 14 VAL HA . . 4.620 4.388 4.384 4.392 . 0 0 "[ . 1 ]" 1
554 2 13 ILE MD 2 13 ILE MG . . 3.110 3.023 3.018 3.027 . 0 0 "[ . 1 ]" 1
555 2 13 ILE QG 2 13 ILE MG . . 3.110 2.055 2.054 2.057 . 0 0 "[ . 1 ]" 1
556 2 13 ILE QG 2 16 VAL QG . . 4.700 4.241 4.181 4.360 . 0 0 "[ . 1 ]" 1
557 2 13 ILE MG 2 14 VAL HA . . 3.000 3.025 3.019 3.028 0.028 1 0 "[ . 1 ]" 1
558 2 14 VAL H 2 14 VAL HB . . 3.570 3.589 3.588 3.590 0.020 8 0 "[ . 1 ]" 1
559 2 14 VAL H 2 14 VAL MG1 . . 3.190 2.025 2.022 2.032 . 0 0 "[ . 1 ]" 1
560 2 14 VAL H 2 14 VAL MG2 . . 3.350 2.439 2.430 2.445 . 0 0 "[ . 1 ]" 1
561 2 14 VAL H 2 15 ALA MB . . 4.290 4.294 4.285 4.298 0.008 6 0 "[ . 1 ]" 1
562 2 14 VAL HA 2 14 VAL MG1 . . 2.970 2.447 2.444 2.449 . 0 0 "[ . 1 ]" 1
563 2 14 VAL HA 2 14 VAL MG2 . . 3.300 3.183 3.181 3.184 . 0 0 "[ . 1 ]" 1
564 2 14 VAL HA 2 15 ALA H . . 4.180 3.493 3.490 3.497 . 0 0 "[ . 1 ]" 1
565 2 14 VAL HA 2 17 ILE HB . . 5.490 4.067 3.998 4.095 . 0 0 "[ . 1 ]" 1
566 2 14 VAL HA 2 17 ILE MD . . 3.920 3.989 3.985 3.997 0.077 10 0 "[ . 1 ]" 1
567 2 14 VAL HA 2 17 ILE QG . . 6.240 4.875 4.859 4.915 . 0 0 "[ . 1 ]" 1
568 2 14 VAL HA 2 18 PHE HB2 . . 4.560 4.608 4.593 4.618 0.058 7 0 "[ . 1 ]" 1
569 2 14 VAL HA 2 18 PHE QB . . 4.970 4.469 4.454 4.477 . 0 0 "[ . 1 ]" 1
570 2 14 VAL HB 2 15 ALA H . . 4.020 4.033 4.019 4.046 0.026 1 0 "[ . 1 ]" 1
571 2 14 VAL MG1 2 14 VAL MG2 . . 2.400 2.065 2.064 2.066 . 0 0 "[ . 1 ]" 1
572 2 14 VAL QG 2 15 ALA HA . . 4.290 2.966 2.954 2.974 . 0 0 "[ . 1 ]" 1
573 2 14 VAL QG 2 18 PHE QB . . 4.100 3.713 3.703 3.722 . 0 0 "[ . 1 ]" 1
574 2 14 VAL MG1 2 15 ALA H . . 3.890 3.746 3.735 3.756 . 0 0 "[ . 1 ]" 1
575 2 14 VAL MG2 2 15 ALA H . . 3.550 2.177 2.154 2.198 . 0 0 "[ . 1 ]" 1
576 2 14 VAL MG2 2 15 ALA HA . . 3.610 2.981 2.968 2.989 . 0 0 "[ . 1 ]" 1
577 2 14 VAL MG2 2 15 ALA MB . . 3.600 3.031 3.024 3.036 . 0 0 "[ . 1 ]" 1
578 2 14 VAL MG2 2 18 PHE HB2 . . 3.840 3.931 3.921 3.940 0.100 2 0 "[ . 1 ]" 1
579 2 14 VAL MG2 2 18 PHE QR . . 3.920 3.999 3.988 4.005 0.085 6 0 "[ . 1 ]" 1
580 2 15 ALA H 2 15 ALA MB . . 3.070 2.108 2.099 2.118 . 0 0 "[ . 1 ]" 1
581 2 15 ALA HA 2 16 VAL H . . 4.150 3.558 3.554 3.562 . 0 0 "[ . 1 ]" 1
582 2 15 ALA HA 2 18 PHE H . . 4.340 3.481 3.448 3.513 . 0 0 "[ . 1 ]" 1
583 2 15 ALA HA 2 18 PHE HB2 . . 3.760 2.900 2.847 2.944 . 0 0 "[ . 1 ]" 1
584 2 15 ALA HA 2 18 PHE QB . . 3.750 2.597 2.575 2.621 . 0 0 "[ . 1 ]" 1
585 2 15 ALA HA 2 19 GLY H . . 4.320 4.182 4.127 4.235 . 0 0 "[ . 1 ]" 1
586 2 15 ALA MB 2 16 VAL H . . 3.510 2.540 2.502 2.566 . 0 0 "[ . 1 ]" 1
587 2 15 ALA MB 2 16 VAL HA . . 4.060 3.740 3.730 3.756 . 0 0 "[ . 1 ]" 1
588 2 15 ALA MB 2 16 VAL MG1 . . 5.370 4.972 4.964 4.979 . 0 0 "[ . 1 ]" 1
589 2 15 ALA MB 2 16 VAL QG . . 3.800 3.250 3.195 3.270 . 0 0 "[ . 1 ]" 1
590 2 15 ALA MB 2 16 VAL MG2 . . 3.310 3.294 3.234 3.316 0.006 4 0 "[ . 1 ]" 1
591 2 15 ALA MB 2 18 PHE QB . . 4.530 3.856 3.835 3.880 . 0 0 "[ . 1 ]" 1
592 2 16 VAL H 2 16 VAL HB . . 3.430 2.447 2.432 2.464 . 0 0 "[ . 1 ]" 1
593 2 16 VAL H 2 16 VAL MG1 . . 3.900 3.749 3.745 3.753 . 0 0 "[ . 1 ]" 1
594 2 16 VAL H 2 16 VAL MG2 . . 3.480 2.355 2.192 2.436 . 0 0 "[ . 1 ]" 1
595 2 16 VAL H 2 17 ILE H . . 4.080 2.786 2.761 2.819 . 0 0 "[ . 1 ]" 1
596 2 16 VAL HA 2 16 VAL MG1 . . 3.270 2.411 2.393 2.428 . 0 0 "[ . 1 ]" 1
597 2 16 VAL HA 2 16 VAL MG2 . . 3.390 2.251 2.212 2.349 . 0 0 "[ . 1 ]" 1
598 2 16 VAL HA 2 19 GLY H . . 4.100 3.732 3.704 3.746 . 0 0 "[ . 1 ]" 1
599 2 16 VAL HB 2 17 ILE H . . 5.500 2.497 2.469 2.540 . 0 0 "[ . 1 ]" 1
600 2 16 VAL HB 2 17 ILE HA . . 5.070 4.373 4.353 4.395 . 0 0 "[ . 1 ]" 1
601 2 16 VAL MG1 2 16 VAL MG2 . . 2.520 1.950 1.893 2.063 . 0 0 "[ . 1 ]" 1
602 2 16 VAL QG 2 17 ILE HA . . 4.070 3.311 3.279 3.351 . 0 0 "[ . 1 ]" 1
603 2 16 VAL QG 2 19 GLY H . . 4.870 4.493 4.471 4.506 . 0 0 "[ . 1 ]" 1
604 2 16 VAL MG1 2 19 GLY H . . 4.750 4.815 4.799 4.827 0.077 9 0 "[ . 1 ]" 1
605 2 17 ILE H 2 17 ILE MD . . 5.170 4.391 4.351 4.402 . 0 0 "[ . 1 ]" 1
606 2 17 ILE H 2 17 ILE QG . . 5.100 3.974 3.973 3.975 . 0 0 "[ . 1 ]" 1
607 2 17 ILE H 2 18 PHE H . . 4.620 2.599 2.563 2.616 . 0 0 "[ . 1 ]" 1
608 2 17 ILE HA 2 17 ILE MD . . 3.740 3.796 3.790 3.804 0.064 10 0 "[ . 1 ]" 1
609 2 17 ILE HA 2 17 ILE QG . . 3.400 2.388 2.367 2.394 . 0 0 "[ . 1 ]" 1
610 2 17 ILE HA 2 18 PHE H . . 4.540 3.487 3.480 3.490 . 0 0 "[ . 1 ]" 1
611 2 17 ILE HA 2 20 LEU H . . 4.040 3.457 3.416 3.508 . 0 0 "[ . 1 ]" 1
612 2 17 ILE HA 2 20 LEU QB . . 4.000 2.247 2.142 2.333 . 0 0 "[ . 1 ]" 1
613 2 17 ILE HA 2 20 LEU HB3 . . 4.520 2.264 2.157 2.351 . 0 0 "[ . 1 ]" 1
614 2 17 ILE HA 2 20 LEU HG . . 3.950 3.928 3.856 3.966 0.016 6 0 "[ . 1 ]" 1
615 2 17 ILE HB 2 17 ILE MD . . 3.350 2.447 2.390 2.461 . 0 0 "[ . 1 ]" 1
616 2 17 ILE HB 2 18 PHE H . . 4.070 4.051 4.021 4.060 . 0 0 "[ . 1 ]" 1
617 2 17 ILE MD 2 17 ILE MG . . 2.400 1.907 1.896 1.910 . 0 0 "[ . 1 ]" 1
618 2 17 ILE MD 2 18 PHE HA . . 5.680 4.914 4.897 4.928 . 0 0 "[ . 1 ]" 1
619 2 17 ILE QG 2 17 ILE MG . . 2.400 2.311 2.295 2.343 . 0 0 "[ . 1 ]" 1
620 2 17 ILE QG 2 18 PHE HA . . 4.290 3.657 3.625 3.761 . 0 0 "[ . 1 ]" 1
621 2 17 ILE QG 2 18 PHE QB . . 6.240 4.715 4.669 4.826 . 0 0 "[ . 1 ]" 1
622 2 17 ILE MG 2 18 PHE HB2 . . 3.610 3.177 3.113 3.207 . 0 0 "[ . 1 ]" 1
623 2 18 PHE H 2 18 PHE HB2 . . 3.420 2.333 2.326 2.341 . 0 0 "[ . 1 ]" 1
624 2 18 PHE H 2 18 PHE QD . . 4.950 4.143 4.137 4.148 . 0 0 "[ . 1 ]" 1
625 2 18 PHE H 2 18 PHE QR . . 5.330 4.083 4.077 4.087 . 0 0 "[ . 1 ]" 1
626 2 18 PHE H 2 19 GLY H . . 3.800 2.738 2.705 2.759 . 0 0 "[ . 1 ]" 1
627 2 18 PHE HA 2 19 GLY H . . 4.370 3.566 3.562 3.568 . 0 0 "[ . 1 ]" 1
628 2 18 PHE HA 2 22 LEU QB . . 5.160 4.470 4.321 4.584 . 0 0 "[ . 1 ]" 1
629 2 18 PHE QB 2 19 GLY H . . 4.140 2.298 2.263 2.350 . 0 0 "[ . 1 ]" 1
630 2 18 PHE HB2 2 19 GLY H . . 3.690 3.564 3.544 3.592 . 0 0 "[ . 1 ]" 1
631 2 19 GLY H 2 20 LEU H . . 3.910 2.494 2.466 2.524 . 0 0 "[ . 1 ]" 1
632 2 19 GLY QA 2 20 LEU HA . . 4.360 4.032 4.029 4.041 . 0 0 "[ . 1 ]" 1
633 2 19 GLY QA 2 20 LEU QB . . 5.080 4.283 4.273 4.304 . 0 0 "[ . 1 ]" 1
634 2 19 GLY QA 2 22 LEU QB . . 4.750 3.042 2.921 3.123 . 0 0 "[ . 1 ]" 1
635 2 19 GLY QA 2 22 LEU QD . . 4.730 3.947 3.682 4.070 . 0 0 "[ . 1 ]" 1
636 2 20 LEU H 2 20 LEU HB2 . . 4.250 2.836 2.814 2.845 . 0 0 "[ . 1 ]" 1
637 2 20 LEU H 2 20 LEU QB . . 3.860 2.163 2.158 2.170 . 0 0 "[ . 1 ]" 1
638 2 20 LEU H 2 20 LEU HB3 . . 4.050 2.244 2.236 2.257 . 0 0 "[ . 1 ]" 1
639 2 20 LEU H 2 20 LEU MD1 . . 4.310 4.254 4.242 4.262 . 0 0 "[ . 1 ]" 1
640 2 20 LEU H 2 20 LEU QD . . 4.700 3.764 3.760 3.766 . 0 0 "[ . 1 ]" 1
641 2 20 LEU H 2 20 LEU MD2 . . 4.190 4.197 4.193 4.204 0.014 8 0 "[ . 1 ]" 1
642 2 20 LEU H 2 20 LEU HG . . 4.200 4.246 4.237 4.265 0.065 10 0 "[ . 1 ]" 1
643 2 20 LEU HA 2 20 LEU HB3 . . 3.100 2.992 2.990 2.996 . 0 0 "[ . 1 ]" 1
644 2 20 LEU HA 2 20 LEU MD1 . . 2.400 2.343 2.304 2.370 . 0 0 "[ . 1 ]" 1
645 2 20 LEU HA 2 20 LEU QD . . 2.950 2.326 2.288 2.352 . 0 0 "[ . 1 ]" 1
646 2 20 LEU HA 2 20 LEU HG . . 3.950 3.394 3.379 3.410 . 0 0 "[ . 1 ]" 1
647 2 20 LEU HB2 2 20 LEU MD1 . . 3.410 2.338 2.319 2.362 . 0 0 "[ . 1 ]" 1
648 2 20 LEU HB3 2 20 LEU MD2 . . 3.220 2.325 2.305 2.334 . 0 0 "[ . 1 ]" 1
649 2 20 LEU MD1 2 20 LEU MD2 . . 2.400 2.083 2.077 2.089 . 0 0 "[ . 1 ]" 1
650 2 20 LEU QD 2 24 ALA MB . . 3.990 2.976 2.841 3.139 . 0 0 "[ . 1 ]" 1
651 2 20 LEU MD2 2 20 LEU HG . . 2.400 2.128 2.127 2.129 . 0 0 "[ . 1 ]" 1
652 2 21 LEU H 2 21 LEU QD . . 4.810 3.116 2.054 3.365 . 0 0 "[ . 1 ]" 1
653 2 21 LEU H 2 22 LEU H . . 4.510 2.740 2.661 2.829 . 0 0 "[ . 1 ]" 1
654 2 21 LEU HA 2 21 LEU QD . . 3.390 2.054 1.995 2.108 . 0 0 "[ . 1 ]" 1
655 2 21 LEU QB 2 22 LEU H . . 4.140 2.305 2.165 2.430 . 0 0 "[ . 1 ]" 1
656 2 22 LEU H 2 22 LEU QB . . 3.590 2.233 2.225 2.258 . 0 0 "[ . 1 ]" 1
657 2 22 LEU H 2 22 LEU QD . . 4.530 2.890 1.961 3.339 . 0 0 "[ . 1 ]" 1
658 2 22 LEU HA 2 22 LEU QD . . 3.620 2.125 1.992 2.842 . 0 0 "[ . 1 ]" 1
659 2 22 LEU HA 2 22 LEU HG . . 3.500 3.081 2.345 3.691 0.191 10 0 "[ . 1 ]" 1
660 2 23 GLY QA 2 24 ALA MB . . 5.000 4.025 3.995 4.043 . 0 0 "[ . 1 ]" 1
661 2 23 GLY QA 2 26 LEU H . . 5.000 4.074 3.982 4.128 . 0 0 "[ . 1 ]" 1
662 2 24 ALA HA 2 27 LEU QD . . 3.960 2.680 2.560 2.808 . 0 0 "[ . 1 ]" 1
663 2 24 ALA HA 2 27 LEU HG . . 4.850 4.874 4.860 4.907 0.057 9 0 "[ . 1 ]" 1
664 2 24 ALA MB 2 25 ALA H . . 3.360 2.620 2.562 2.694 . 0 0 "[ . 1 ]" 1
665 2 24 ALA MB 2 28 LEU QD . . 4.130 4.136 4.133 4.142 0.012 12 0 "[ . 1 ]" 1
666 2 25 ALA H 2 25 ALA MB . . 2.930 2.228 2.217 2.234 . 0 0 "[ . 1 ]" 1
667 2 25 ALA H 2 26 LEU H . . 4.120 2.979 2.923 3.018 . 0 0 "[ . 1 ]" 1
668 2 25 ALA HA 2 28 LEU HB2 . . 4.110 3.870 3.721 4.070 . 0 0 "[ . 1 ]" 1
669 2 25 ALA HA 2 28 LEU HB3 . . 4.110 3.549 3.448 3.605 . 0 0 "[ . 1 ]" 1
670 2 25 ALA HA 2 28 LEU QD . . 3.850 3.860 3.854 3.873 0.023 6 0 "[ . 1 ]" 1
671 2 25 ALA MB 2 26 LEU H . . 4.460 2.192 2.141 2.263 . 0 0 "[ . 1 ]" 1
672 2 26 LEU H 2 26 LEU QB . . 3.740 2.205 2.157 2.230 . 0 0 "[ . 1 ]" 1
673 2 26 LEU H 2 26 LEU QD . . 4.680 3.631 3.471 3.737 . 0 0 "[ . 1 ]" 1
674 2 26 LEU HA 2 26 LEU QD . . 2.610 2.225 2.034 2.685 0.075 9 0 "[ . 1 ]" 1
675 2 26 LEU HA 2 26 LEU HG . . 3.500 3.044 2.471 3.272 . 0 0 "[ . 1 ]" 1
676 2 26 LEU HA 2 29 GLY QA . . 4.140 3.682 3.596 3.749 . 0 0 "[ . 1 ]" 1
677 2 26 LEU QB 2 26 LEU HG . . 2.400 2.372 2.338 2.400 0.000 1 0 "[ . 1 ]" 1
678 2 27 LEU H 2 27 LEU QB . . 3.630 2.205 2.154 2.230 . 0 0 "[ . 1 ]" 1
679 2 27 LEU H 2 27 LEU QD . . 4.630 3.700 3.677 3.727 . 0 0 "[ . 1 ]" 1
680 2 27 LEU H 2 28 LEU H . . 4.360 2.860 2.785 2.987 . 0 0 "[ . 1 ]" 1
681 2 27 LEU HA 2 27 LEU QD . . 2.500 2.527 2.504 2.555 0.055 3 0 "[ . 1 ]" 1
682 2 27 LEU HA 2 27 LEU HG . . 3.880 2.756 2.510 2.896 . 0 0 "[ . 1 ]" 1
683 2 27 LEU HA 2 30 ILE HB . . 3.820 3.396 3.264 3.621 . 0 0 "[ . 1 ]" 1
684 2 27 LEU QB 2 27 LEU QD . . 2.620 1.852 1.783 1.912 . 0 0 "[ . 1 ]" 1
685 2 27 LEU HB2 2 27 LEU QD . . 3.180 2.106 2.034 2.205 . 0 0 "[ . 1 ]" 1
686 2 27 LEU HB3 2 27 LEU QD . . 3.180 2.058 1.943 2.131 . 0 0 "[ . 1 ]" 1
687 2 28 LEU H 2 28 LEU QB . . 3.300 2.172 2.159 2.189 . 0 0 "[ . 1 ]" 1
688 2 28 LEU H 2 28 LEU QD . . 4.110 3.570 3.528 3.604 . 0 0 "[ . 1 ]" 1
689 2 28 LEU H 2 29 GLY H . . 4.220 2.768 2.675 2.824 . 0 0 "[ . 1 ]" 1
690 2 28 LEU HA 2 28 LEU QB . . 2.690 2.427 2.407 2.431 . 0 0 "[ . 1 ]" 1
691 2 28 LEU HA 2 28 LEU QD . . 2.770 2.593 2.437 2.767 . 0 0 "[ . 1 ]" 1
692 2 28 LEU HA 2 28 LEU HG . . 3.740 2.571 2.460 2.656 . 0 0 "[ . 1 ]" 1
693 2 28 LEU HA 2 32 VAL QG . . 3.960 3.837 3.718 3.964 0.004 6 0 "[ . 1 ]" 1
694 2 28 LEU QB 2 28 LEU QD . . 2.890 1.772 1.743 1.803 . 0 0 "[ . 1 ]" 1
695 2 28 LEU QB 2 29 GLY H . . 4.120 2.510 2.416 2.619 . 0 0 "[ . 1 ]" 1
696 2 28 LEU QD 2 29 GLY H . . 4.480 3.865 3.720 4.017 . 0 0 "[ . 1 ]" 1
697 2 29 GLY H 2 30 ILE H . . 4.130 2.956 2.751 3.077 . 0 0 "[ . 1 ]" 1
698 2 29 GLY QA 2 30 ILE MD . . 4.520 4.203 4.005 4.525 0.005 6 0 "[ . 1 ]" 1
699 2 30 ILE H 2 30 ILE HB . . 3.500 2.584 2.535 2.617 . 0 0 "[ . 1 ]" 1
700 2 30 ILE H 2 30 ILE MD . . 4.070 3.101 2.820 3.290 . 0 0 "[ . 1 ]" 1
701 2 30 ILE H 2 30 ILE QG . . 4.350 2.028 1.967 2.138 . 0 0 "[ . 1 ]" 1
702 2 30 ILE H 2 30 ILE MG . . 4.130 3.765 3.764 3.767 . 0 0 "[ . 1 ]" 1
703 2 30 ILE H 2 31 LEU H . . 4.130 2.778 2.687 2.874 . 0 0 "[ . 1 ]" 1
704 2 30 ILE H 2 32 VAL H . . 4.490 4.314 3.944 4.500 0.010 6 0 "[ . 1 ]" 1
705 2 30 ILE HA 2 30 ILE MD . . 3.850 2.317 1.973 3.851 0.001 1 0 "[ . 1 ]" 1
706 2 30 ILE HA 2 30 ILE QG . . 3.960 2.827 2.418 2.949 . 0 0 "[ . 1 ]" 1
707 2 30 ILE HA 2 30 ILE MG . . 3.460 2.352 2.289 2.401 . 0 0 "[ . 1 ]" 1
708 2 30 ILE HA 2 33 PHE H . . 4.590 3.293 3.198 3.471 . 0 0 "[ . 1 ]" 1
709 2 30 ILE HA 2 33 PHE HB2 . . 4.290 2.312 1.998 2.707 . 0 0 "[ . 1 ]" 1
710 2 30 ILE HA 2 33 PHE QB . . 3.630 2.294 1.987 2.680 . 0 0 "[ . 1 ]" 1
711 2 30 ILE HA 2 33 PHE HB3 . . 4.290 3.864 3.506 4.299 0.009 11 0 "[ . 1 ]" 1
712 2 30 ILE HA 2 34 ARG H . . 4.410 4.370 4.163 4.452 0.042 8 0 "[ . 1 ]" 1
713 2 30 ILE HB 2 30 ILE MD . . 3.550 3.053 2.183 3.231 . 0 0 "[ . 1 ]" 1
714 2 30 ILE HB 2 31 LEU H . . 4.170 2.651 2.349 2.962 . 0 0 "[ . 1 ]" 1
715 2 30 ILE MD 2 30 ILE MG . . 3.810 2.083 1.928 2.481 . 0 0 "[ . 1 ]" 1
716 2 30 ILE MG 2 31 LEU HA . . 3.520 3.486 3.378 3.535 0.015 6 0 "[ . 1 ]" 1
717 2 30 ILE MG 2 33 PHE HB2 . . 4.680 3.474 3.147 3.737 . 0 0 "[ . 1 ]" 1
718 2 30 ILE MG 2 33 PHE QB . . 4.040 3.354 3.052 3.598 . 0 0 "[ . 1 ]" 1
719 2 30 ILE MG 2 33 PHE HB3 . . 4.680 4.425 4.108 4.687 0.007 11 0 "[ . 1 ]" 1
720 2 31 LEU H 2 31 LEU QD . . 4.190 3.073 2.032 3.389 . 0 0 "[ . 1 ]" 1
721 2 31 LEU H 2 32 VAL H . . 4.140 2.731 2.601 2.835 . 0 0 "[ . 1 ]" 1
722 2 31 LEU HA 2 31 LEU QD . . 2.670 2.115 1.993 2.297 . 0 0 "[ . 1 ]" 1
723 2 31 LEU HA 2 31 LEU HG . . 3.640 2.975 2.712 3.682 0.042 5 0 "[ . 1 ]" 1
724 2 31 LEU HA 2 34 ARG H . . 4.730 3.822 3.485 4.670 . 0 0 "[ . 1 ]" 1
725 2 32 VAL H 2 32 VAL HB . . 3.670 2.563 2.496 2.621 . 0 0 "[ . 1 ]" 1
726 2 32 VAL H 2 32 VAL MG1 . . 4.410 3.776 3.765 3.788 . 0 0 "[ . 1 ]" 1
727 2 32 VAL H 2 32 VAL QG . . 3.490 2.244 2.113 2.383 . 0 0 "[ . 1 ]" 1
728 2 32 VAL H 2 32 VAL MG2 . . 4.410 2.262 2.124 2.409 . 0 0 "[ . 1 ]" 1
729 2 32 VAL H 2 33 PHE H . . 3.590 2.476 2.381 2.735 . 0 0 "[ . 1 ]" 1
730 2 32 VAL HA 2 32 VAL MG1 . . 3.640 2.296 2.211 2.389 . 0 0 "[ . 1 ]" 1
731 2 32 VAL HA 2 32 VAL QG . . 3.070 2.079 2.039 2.107 . 0 0 "[ . 1 ]" 1
732 2 32 VAL HA 2 32 VAL MG2 . . 3.640 2.380 2.344 2.431 . 0 0 "[ . 1 ]" 1
733 2 32 VAL HA 2 35 SER H . . 4.320 3.943 2.773 4.481 0.161 8 0 "[ . 1 ]" 1
734 2 32 VAL HB 2 33 PHE H . . 3.830 2.804 2.382 3.272 . 0 0 "[ . 1 ]" 1
735 2 32 VAL QG 2 36 ARG HA . . 4.870 4.680 4.402 4.931 0.061 6 0 "[ . 1 ]" 1
736 2 32 VAL MG1 2 33 PHE H . . 4.490 3.690 3.342 4.008 . 0 0 "[ . 1 ]" 1
737 2 32 VAL MG2 2 33 PHE H . . 4.490 3.841 3.726 3.964 . 0 0 "[ . 1 ]" 1
738 2 33 PHE H 2 33 PHE HB2 . . 3.810 2.280 2.261 2.310 . 0 0 "[ . 1 ]" 1
739 2 33 PHE H 2 33 PHE HB3 . . 3.810 3.548 3.540 3.566 . 0 0 "[ . 1 ]" 1
740 2 34 ARG H 2 34 ARG HB2 . . 4.080 2.401 2.063 3.812 . 0 0 "[ . 1 ]" 1
741 2 34 ARG H 2 34 ARG QB . . 3.430 2.303 2.042 3.023 . 0 0 "[ . 1 ]" 1
742 2 34 ARG H 2 34 ARG HB3 . . 4.080 3.351 3.021 3.771 . 0 0 "[ . 1 ]" 1
743 2 34 ARG H 2 34 ARG HD2 . . 4.360 4.064 3.393 4.367 0.007 3 0 "[ . 1 ]" 1
744 2 34 ARG H 2 34 ARG QD . . 3.640 3.364 2.792 3.700 0.060 3 0 "[ . 1 ]" 1
745 2 34 ARG H 2 34 ARG HD3 . . 4.360 3.693 2.830 4.387 0.027 8 0 "[ . 1 ]" 1
746 2 34 ARG H 2 34 ARG QG . . 4.180 3.315 2.082 4.003 . 0 0 "[ . 1 ]" 1
747 2 34 ARG H 2 35 SER H . . 3.600 2.667 1.788 3.087 . 0 0 "[ . 1 ]" 1
748 2 34 ARG H 2 36 ARG H . . 4.740 4.508 3.970 4.824 0.084 9 0 "[ . 1 ]" 1
749 2 34 ARG HA 2 34 ARG HD2 . . 3.960 2.688 2.121 4.126 0.166 8 0 "[ . 1 ]" 1
750 2 34 ARG HA 2 34 ARG HD3 . . 3.960 3.189 2.479 4.093 0.133 8 0 "[ . 1 ]" 1
751 2 34 ARG HA 2 34 ARG QG . . 3.630 2.593 2.037 3.447 . 0 0 "[ . 1 ]" 1
752 2 34 ARG QB 2 34 ARG QD . . 3.010 2.175 1.981 2.326 . 0 0 "[ . 1 ]" 1
753 2 34 ARG QB 2 36 ARG QG . . 3.800 3.637 2.456 4.168 0.368 3 0 "[ . 1 ]" 1
754 2 34 ARG HB2 2 35 SER H . . 4.200 3.199 2.003 4.221 0.021 8 0 "[ . 1 ]" 1
755 2 34 ARG HB3 2 35 SER H . . 4.200 3.138 2.131 4.297 0.097 8 0 "[ . 1 ]" 1
756 2 35 SER H 2 35 SER QB . . 3.330 2.797 2.219 3.485 0.155 10 0 "[ . 1 ]" 1
757 2 35 SER H 2 36 ARG H . . 3.500 2.885 1.888 3.619 0.119 10 0 "[ . 1 ]" 1
758 2 35 SER QB 2 36 ARG H . . 4.280 3.575 2.134 4.024 . 0 0 "[ . 1 ]" 1
759 2 36 ARG H 2 36 ARG QB . . 3.920 3.174 2.794 3.467 . 0 0 "[ . 1 ]" 1
760 2 36 ARG H 2 36 ARG QD . . 4.550 4.083 2.092 4.561 0.011 2 0 "[ . 1 ]" 1
761 2 36 ARG H 2 36 ARG QG . . 3.520 2.402 1.899 2.988 . 0 0 "[ . 1 ]" 1
762 2 36 ARG H 2 37 ARG H . . 3.660 2.609 1.891 3.824 0.164 12 0 "[ . 1 ]" 1
763 2 36 ARG H 2 37 ARG QB . . 3.850 3.784 3.435 4.160 0.310 6 0 "[ . 1 ]" 1
764 2 36 ARG HA 2 36 ARG QD . . 4.290 3.913 2.038 4.279 . 0 0 "[ . 1 ]" 1
765 2 36 ARG HA 2 36 ARG HG2 . . 3.960 3.413 2.675 4.143 0.183 3 0 "[ . 1 ]" 1
766 2 36 ARG HA 2 36 ARG QG . . 3.090 3.092 2.624 3.343 0.253 12 0 "[ . 1 ]" 1
767 2 36 ARG HA 2 36 ARG HG3 . . 3.960 3.666 3.408 3.842 . 0 0 "[ . 1 ]" 1
768 2 36 ARG HA 2 37 ARG QB . . 4.700 4.476 4.249 4.739 0.039 2 0 "[ . 1 ]" 1
769 2 36 ARG QB 2 38 ALA H . . 6.240 3.920 2.512 5.066 . 0 0 "[ . 1 ]" 1
770 2 36 ARG QG 2 37 ARG H . . 4.040 3.628 1.929 4.214 0.174 12 0 "[ . 1 ]" 1
771 2 36 ARG QG 2 38 ALA H . . 4.840 4.768 4.516 4.897 0.057 11 0 "[ . 1 ]" 1
772 2 37 ARG H 2 37 ARG HA . . 2.930 2.638 2.275 2.894 . 0 0 "[ . 1 ]" 1
773 2 37 ARG H 2 37 ARG QB . . 3.900 2.805 2.177 3.202 . 0 0 "[ . 1 ]" 1
774 2 37 ARG H 2 37 ARG QD . . 4.440 3.961 2.810 4.442 0.002 8 0 "[ . 1 ]" 1
775 2 37 ARG HA 2 37 ARG QB . . 2.670 2.423 2.175 2.537 . 0 0 "[ . 1 ]" 1
776 2 37 ARG HA 2 37 ARG QD . . 3.790 3.063 1.978 3.772 . 0 0 "[ . 1 ]" 1
777 2 37 ARG HA 2 37 ARG QG . . 3.390 2.539 2.015 3.397 0.007 12 0 "[ . 1 ]" 1
778 2 37 ARG HA 2 38 ALA H . . 3.410 3.059 2.301 3.508 0.098 3 0 "[ . 1 ]" 1
779 2 37 ARG QB 2 37 ARG QD . . 3.070 2.122 1.943 2.399 . 0 0 "[ . 1 ]" 1
780 2 37 ARG QB 2 37 ARG QG . . 2.380 2.018 1.995 2.033 . 0 0 "[ . 1 ]" 1
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