NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583931 |
2mjg   |
18939 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mjg
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 1236
_Distance_constraint_stats_list.Viol_count 1685
_Distance_constraint_stats_list.Viol_total 1410.546
_Distance_constraint_stats_list.Viol_max 1.369
_Distance_constraint_stats_list.Viol_rms 0.0800
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0114
_Distance_constraint_stats_list.Viol_average_violations_only 0.0837
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 CYS 1.967 0.829 10 2 "[ . - +]"
1 4 MET 2.188 0.829 10 2 "[ . - +]"
1 5 THR 9.007 1.138 6 8 "[* ***+** -]"
1 6 CYS 12.266 1.218 6 8 "[* ***+** -]"
1 7 GLN 2.348 0.284 5 0 "[ . 1]"
1 8 VAL 4.277 0.284 10 0 "[ . 1]"
1 9 THR 0.640 0.047 6 0 "[ . 1]"
1 10 GLY 1.745 0.120 1 0 "[ . 1]"
1 11 GLU 3.051 0.332 7 0 "[ . 1]"
1 12 VAL 20.461 1.218 6 8 "[* ***+** -]"
1 13 SER 0.816 0.104 1 0 "[ . 1]"
1 14 ASP 0.164 0.034 9 0 "[ . 1]"
1 15 ASP 0.870 0.114 5 0 "[ . 1]"
1 17 LEU 3.386 0.419 8 0 "[ . 1]"
1 18 LYS 1.169 0.202 6 0 "[ . 1]"
1 19 LEU 3.151 0.074 8 0 "[ . 1]"
1 20 ALA 0.868 0.068 2 0 "[ . 1]"
1 21 GLY 0.447 0.069 9 0 "[ . 1]"
1 22 GLY 0.485 0.194 8 0 "[ . 1]"
1 23 LYS 0.444 0.054 5 0 "[ . 1]"
1 24 LEU 18.103 1.369 7 9 "[*** *-+***]"
1 25 VAL 1.562 0.062 8 0 "[ . 1]"
1 26 LEU 18.900 1.369 7 9 "[*** *-+***]"
1 27 SER 0.344 0.072 4 0 "[ . 1]"
1 28 LYS 0.360 0.097 4 0 "[ . 1]"
1 29 GLU 1.570 0.082 7 0 "[ . 1]"
1 30 GLY 0.958 0.100 7 0 "[ . 1]"
1 31 ALA 2.910 0.095 10 0 "[ . 1]"
1 32 GLU 3.517 0.152 7 0 "[ . 1]"
1 33 GLN 1.323 0.085 3 0 "[ . 1]"
1 34 ILE 3.085 0.096 6 0 "[ . 1]"
1 35 ILE 1.166 0.059 6 0 "[ . 1]"
1 36 SER 1.311 0.102 2 0 "[ . 1]"
1 37 GLU 0.690 0.058 6 0 "[ . 1]"
1 38 ILE 4.069 0.102 2 0 "[ . 1]"
1 39 GLN 2.130 0.168 5 0 "[ . 1]"
1 40 ASN 0.940 0.069 8 0 "[ . 1]"
1 41 GLN 1.326 0.106 1 0 "[ . 1]"
1 42 LEU 2.296 0.419 8 0 "[ . 1]"
1 43 GLN 0.265 0.097 9 0 "[ . 1]"
1 44 ASN 0.000 0.000 . 0 "[ . 1]"
1 45 LEU 0.039 0.018 1 0 "[ . 1]"
1 46 LYS 0.021 0.021 7 0 "[ . 1]"
2 3 CYS 2.623 0.893 2 3 "[-+ . *1]"
2 4 MET 2.750 0.893 2 3 "[-+ . *1]"
2 5 THR 9.152 1.160 8 8 "[*** * *+*-]"
2 6 CYS 12.361 1.250 8 8 "[*** * *+*-]"
2 7 GLN 2.379 0.283 2 0 "[ . 1]"
2 8 VAL 1.593 0.269 6 0 "[ . 1]"
2 9 THR 0.484 0.029 4 0 "[ . 1]"
2 10 GLY 1.807 0.118 7 0 "[ . 1]"
2 11 GLU 2.778 0.399 8 0 "[ . 1]"
2 12 VAL 20.708 1.250 8 8 "[*** * *+*-]"
2 13 SER 1.045 0.121 6 0 "[ . 1]"
2 14 ASP 0.128 0.028 4 0 "[ . 1]"
2 15 ASP 0.843 0.094 2 0 "[ . 1]"
2 17 LEU 3.667 0.428 10 0 "[ . 1]"
2 18 LYS 0.886 0.194 8 0 "[ . 1]"
2 19 LEU 2.897 0.074 4 0 "[ . 1]"
2 20 ALA 0.826 0.069 8 0 "[ . 1]"
2 21 GLY 0.548 0.074 8 0 "[ . 1]"
2 22 GLY 0.657 0.202 6 0 "[ . 1]"
2 23 LYS 0.414 0.070 8 0 "[ . 1]"
2 24 LEU 18.424 1.340 5 10 [***-+*****]
2 25 VAL 1.596 0.065 7 0 "[ . 1]"
2 26 LEU 22.022 1.340 5 10 [***-+*****]
2 27 SER 0.981 0.058 9 0 "[ . 1]"
2 28 LYS 0.086 0.021 9 0 "[ . 1]"
2 29 GLU 1.734 0.079 9 0 "[ . 1]"
2 30 GLY 1.371 0.098 8 0 "[ . 1]"
2 31 ALA 2.828 0.101 10 0 "[ . 1]"
2 32 GLU 3.684 0.168 5 0 "[ . 1]"
2 33 GLN 1.487 0.074 2 0 "[ . 1]"
2 34 ILE 3.035 0.090 5 0 "[ . 1]"
2 35 ILE 0.986 0.064 9 0 "[ . 1]"
2 36 SER 1.276 0.105 6 0 "[ . 1]"
2 37 GLU 0.854 0.065 5 0 "[ . 1]"
2 38 ILE 4.113 0.105 6 0 "[ . 1]"
2 39 GLN 1.945 0.152 7 0 "[ . 1]"
2 40 ASN 1.115 0.079 10 0 "[ . 1]"
2 41 GLN 1.176 0.116 5 0 "[ . 1]"
2 42 LEU 2.738 0.428 10 0 "[ . 1]"
2 43 GLN 0.415 0.058 10 0 "[ . 1]"
2 44 ASN 0.000 0.000 . 0 "[ . 1]"
2 45 LEU 0.000 0.000 . 0 "[ . 1]"
2 46 LYS 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 3 CYS HA 1 3 CYS QB . . 2.770 2.348 2.180 2.446 . 0 0 "[ . 1]" 1
2 1 3 CYS QB 1 12 VAL HB . . 5.500 4.859 4.368 5.506 0.006 10 0 "[ . 1]" 1
3 1 3 CYS QB 1 12 VAL QG . . 4.360 3.356 2.646 4.208 . 0 0 "[ . 1]" 1
4 1 3 CYS QB 1 4 MET HB3 . . 5.500 5.653 5.372 6.329 0.829 10 2 "[ . - +]" 1
5 1 3 CYS QB 1 5 THR H . . 4.950 4.735 4.399 4.958 0.008 3 0 "[ . 1]" 1
6 1 3 CYS QB 1 5 THR MG . . 4.290 4.209 3.708 4.302 0.012 10 0 "[ . 1]" 1
7 1 4 MET HA 1 4 MET QG . . 4.000 2.217 2.161 2.294 . 0 0 "[ . 1]" 1
8 1 4 MET HA 1 5 THR H . . 3.250 2.105 2.066 2.128 . 0 0 "[ . 1]" 1
9 1 4 MET HA 1 5 THR MG . . 3.970 3.903 3.770 3.972 0.002 4 0 "[ . 1]" 1
10 1 4 MET HA 2 25 VAL HB . . 3.930 3.833 3.438 3.973 0.043 10 0 "[ . 1]" 1
11 1 4 MET HA 2 25 VAL MG1 . . 3.610 3.410 3.129 3.616 0.006 7 0 "[ . 1]" 1
12 1 4 MET HA 2 25 VAL MG2 . . 3.890 3.681 3.272 3.901 0.011 7 0 "[ . 1]" 1
13 1 4 MET HB3 1 5 THR H . . 4.660 3.802 3.494 3.986 . 0 0 "[ . 1]" 1
14 1 4 MET HB3 2 25 VAL MG2 . . 4.160 2.912 2.618 3.086 . 0 0 "[ . 1]" 1
15 1 4 MET QG 1 12 VAL QG . . 5.440 5.249 4.966 5.388 . 0 0 "[ . 1]" 1
16 1 4 MET QG 1 5 THR H . . 4.660 3.920 3.753 4.085 . 0 0 "[ . 1]" 1
17 1 4 MET QG 2 24 LEU QD . . 5.440 5.359 5.260 5.471 0.031 3 0 "[ . 1]" 1
18 1 4 MET QG 2 25 VAL H . . 5.150 5.138 5.053 5.183 0.033 5 0 "[ . 1]" 1
19 1 4 MET QG 2 25 VAL MG1 . . 5.220 3.055 2.830 3.349 . 0 0 "[ . 1]" 1
20 1 4 MET QG 2 25 VAL MG2 . . 5.220 2.138 2.048 2.193 . 0 0 "[ . 1]" 1
21 1 5 THR HA 1 12 VAL H . . 5.250 4.694 4.583 4.771 . 0 0 "[ . 1]" 1
22 1 5 THR HA 1 6 CYS HA . . 4.470 4.343 4.299 4.382 . 0 0 "[ . 1]" 1
23 1 5 THR HA 2 25 VAL HB . . 5.500 5.277 5.138 5.346 . 0 0 "[ . 1]" 1
24 1 5 THR HB 1 12 VAL HA . . 4.550 4.244 4.109 4.346 . 0 0 "[ . 1]" 1
25 1 5 THR HB 1 12 VAL H . . 5.500 5.537 5.509 5.567 0.067 9 0 "[ . 1]" 1
26 1 5 THR HB 1 12 VAL MG1 . . 4.500 3.934 3.682 4.221 . 0 0 "[ . 1]" 1
27 1 5 THR HB 1 12 VAL MG2 . . 4.500 3.366 2.041 3.929 . 0 0 "[ . 1]" 1
28 1 5 THR HB 1 12 VAL QG . . 3.400 3.098 2.037 3.526 0.126 6 0 "[ . 1]" 1
29 1 5 THR HB 1 6 CYS H . . 4.270 3.955 3.868 4.026 . 0 0 "[ . 1]" 1
30 1 5 THR H 1 12 VAL HA . . 5.330 5.257 5.105 5.337 0.007 7 0 "[ . 1]" 1
31 1 5 THR H 1 12 VAL QG . . 3.680 4.414 3.536 4.818 1.138 6 8 "[* ***+** -]" 1
32 1 5 THR H 1 5 THR HB . . 3.080 3.082 2.842 3.190 0.110 7 0 "[ . 1]" 1
33 1 5 THR H 2 25 VAL HB . . 4.250 3.783 3.573 4.044 . 0 0 "[ . 1]" 1
34 1 5 THR H 2 25 VAL MG1 . . 4.040 3.436 3.227 3.653 . 0 0 "[ . 1]" 1
35 1 5 THR H 2 25 VAL MG2 . . 4.620 4.546 4.352 4.636 0.016 9 0 "[ . 1]" 1
36 1 5 THR MG 1 7 GLN H . . 4.660 4.493 4.151 4.572 . 0 0 "[ . 1]" 1
37 1 5 THR MG 1 7 GLN QB . . 4.360 4.394 4.377 4.437 0.077 10 0 "[ . 1]" 1
38 1 6 CYS HA 1 10 GLY H . . 4.160 4.224 4.209 4.234 0.074 1 0 "[ . 1]" 1
39 1 6 CYS HA 1 11 GLU H . . 5.000 5.026 5.018 5.040 0.040 2 0 "[ . 1]" 1
40 1 6 CYS HA 2 25 VAL HB . . 4.760 4.583 4.497 4.652 . 0 0 "[ . 1]" 1
41 1 6 CYS HA 2 25 VAL H . . 5.500 5.485 5.442 5.518 0.018 2 0 "[ . 1]" 1
42 1 6 CYS HA 2 25 VAL MG1 . . 3.910 3.239 3.069 3.377 . 0 0 "[ . 1]" 1
43 1 6 CYS HA 2 26 LEU HA . . 3.200 1.945 1.913 1.971 . 0 0 "[ . 1]" 1
44 1 6 CYS HA 2 26 LEU HG . . 4.350 3.272 3.225 3.339 . 0 0 "[ . 1]" 1
45 1 6 CYS HA 2 26 LEU QD . . 4.110 3.843 3.787 3.864 . 0 0 "[ . 1]" 1
46 1 6 CYS HA 2 27 SER H . . 4.250 3.494 3.424 3.605 . 0 0 "[ . 1]" 1
47 1 6 CYS HA 1 7 GLN H . . 2.630 2.205 2.163 2.251 . 0 0 "[ . 1]" 1
48 1 6 CYS HB2 1 10 GLY H . . 3.740 3.611 3.576 3.643 . 0 0 "[ . 1]" 1
49 1 6 CYS HB2 1 11 GLU H . . 3.430 3.248 3.227 3.267 . 0 0 "[ . 1]" 1
50 1 6 CYS HB2 2 26 LEU HA . . 5.500 2.827 2.786 2.866 . 0 0 "[ . 1]" 1
51 1 6 CYS HB2 2 27 SER HA . . 4.970 4.059 4.001 4.130 . 0 0 "[ . 1]" 1
52 1 6 CYS HB2 2 27 SER HB2 . . 4.510 2.520 2.456 2.631 . 0 0 "[ . 1]" 1
53 1 6 CYS HB2 2 27 SER H . . 4.020 2.037 1.951 2.182 . 0 0 "[ . 1]" 1
54 1 6 CYS HB2 2 28 LYS H . . 5.500 5.490 5.449 5.521 0.021 9 0 "[ . 1]" 1
55 1 6 CYS HB2 2 29 GLU H . . 5.490 5.550 5.502 5.569 0.079 9 0 "[ . 1]" 1
56 1 6 CYS HB2 1 7 GLN H . . 4.570 4.475 4.435 4.527 . 0 0 "[ . 1]" 1
57 1 6 CYS HB2 1 8 VAL H . . 5.110 4.624 4.592 4.650 . 0 0 "[ . 1]" 1
58 1 6 CYS HB2 1 9 THR H . . 4.890 4.180 4.151 4.225 . 0 0 "[ . 1]" 1
59 1 6 CYS H 1 10 GLY H . . 4.180 3.938 3.902 4.000 . 0 0 "[ . 1]" 1
60 1 6 CYS H 1 11 GLU H . . 3.960 3.626 3.589 3.675 . 0 0 "[ . 1]" 1
61 1 6 CYS H 1 11 GLU QB . . 4.590 4.104 4.075 4.139 . 0 0 "[ . 1]" 1
62 1 6 CYS H 1 11 GLU QG . . 5.500 5.515 5.425 5.533 0.033 7 0 "[ . 1]" 1
63 1 6 CYS H 1 12 VAL HA . . 3.750 3.364 3.307 3.424 . 0 0 "[ . 1]" 1
64 1 6 CYS H 1 12 VAL HB . . 5.100 4.340 3.964 5.308 0.208 2 0 "[ . 1]" 1
65 1 6 CYS H 1 12 VAL QG . . 3.270 4.188 3.269 4.488 1.218 6 8 "[* ***+** -]" 1
66 1 6 CYS H 1 13 SER H . . 4.920 4.980 4.940 5.024 0.104 1 0 "[ . 1]" 1
67 1 6 CYS H 1 6 CYS HB2 . . 3.200 2.455 2.389 2.570 . 0 0 "[ . 1]" 1
68 1 6 CYS H 2 25 VAL MG1 . . 4.430 3.888 3.710 4.155 . 0 0 "[ . 1]" 1
69 1 6 CYS H 2 27 SER H . . 4.600 4.354 4.248 4.547 . 0 0 "[ . 1]" 1
70 1 6 CYS H 1 7 GLN H . . 4.590 4.582 4.491 4.605 0.015 2 0 "[ . 1]" 1
71 1 6 CYS H 1 9 THR H . . 5.180 5.201 5.175 5.226 0.046 1 0 "[ . 1]" 1
72 1 7 GLN HA 1 10 GLY H . . 4.530 4.397 4.284 4.504 . 0 0 "[ . 1]" 1
73 1 7 GLN HA 2 24 LEU QD . . 4.390 4.460 4.306 4.566 0.176 10 0 "[ . 1]" 1
74 1 7 GLN HA 1 7 GLN QG . . 3.460 2.701 2.267 3.082 . 0 0 "[ . 1]" 1
75 1 7 GLN H 1 10 GLY H . . 5.180 4.728 4.683 4.770 . 0 0 "[ . 1]" 1
76 1 7 GLN H 2 24 LEU HG . . 5.500 3.955 3.801 4.075 . 0 0 "[ . 1]" 1
77 1 7 GLN H 2 24 LEU QD . . 3.810 3.891 3.650 4.094 0.284 5 0 "[ . 1]" 1
78 1 7 GLN H 2 25 VAL HB . . 4.980 4.876 4.611 4.989 0.009 3 0 "[ . 1]" 1
79 1 7 GLN H 2 25 VAL MG1 . . 4.560 4.455 4.164 4.571 0.011 7 0 "[ . 1]" 1
80 1 7 GLN H 2 26 LEU HA . . 3.830 3.296 3.185 3.410 . 0 0 "[ . 1]" 1
81 1 7 GLN H 2 26 LEU HG . . 3.570 3.085 2.914 3.189 . 0 0 "[ . 1]" 1
82 1 7 GLN H 2 27 SER H . . 5.290 5.256 5.177 5.311 0.021 3 0 "[ . 1]" 1
83 1 7 GLN H 1 7 GLN QB . . 3.250 2.272 2.201 2.521 . 0 0 "[ . 1]" 1
84 1 7 GLN H 1 8 VAL H . . 3.650 2.647 2.576 2.707 . 0 0 "[ . 1]" 1
85 1 7 GLN H 1 8 VAL QG . . 4.050 3.842 3.724 3.987 . 0 0 "[ . 1]" 1
86 1 7 GLN H 1 9 THR H . . 5.110 4.299 4.254 4.360 . 0 0 "[ . 1]" 1
87 1 7 GLN QB 2 24 LEU QD . . 3.010 2.257 2.118 2.400 . 0 0 "[ . 1]" 1
88 1 7 GLN QB 2 26 LEU HG . . 4.460 4.058 3.766 4.441 . 0 0 "[ . 1]" 1
89 1 7 GLN QB 1 8 VAL HA . . 4.720 4.559 4.443 4.670 . 0 0 "[ . 1]" 1
90 1 7 GLN QB 1 8 VAL H . . 4.110 3.252 3.096 3.409 . 0 0 "[ . 1]" 1
91 1 7 GLN QB 1 8 VAL QG . . 3.650 3.200 2.947 3.363 . 0 0 "[ . 1]" 1
92 1 8 VAL HA 1 8 VAL MG1 . . 3.460 2.471 2.455 2.493 . 0 0 "[ . 1]" 1
93 1 8 VAL HA 1 8 VAL MG2 . . 3.460 2.346 2.331 2.373 . 0 0 "[ . 1]" 1
94 1 8 VAL HA 1 8 VAL QG . . 2.980 2.140 2.137 2.148 . 0 0 "[ . 1]" 1
95 1 8 VAL HB 2 26 LEU QD . . 4.950 2.273 2.239 2.337 . 0 0 "[ . 1]" 1
96 1 8 VAL HB 2 33 GLN QB . . 4.520 3.897 3.678 4.100 . 0 0 "[ . 1]" 1
97 1 8 VAL H 1 10 GLY H . . 3.800 3.743 3.680 3.806 0.006 7 0 "[ . 1]" 1
98 1 8 VAL H 2 26 LEU HA . . 4.560 4.049 3.953 4.140 . 0 0 "[ . 1]" 1
99 1 8 VAL H 2 26 LEU HG . . 3.770 2.952 2.841 3.100 . 0 0 "[ . 1]" 1
100 1 8 VAL H 2 30 GLY HA2 . . 5.500 4.811 4.621 5.082 . 0 0 "[ . 1]" 1
101 1 8 VAL H 1 8 VAL QG . . 3.250 2.447 2.408 2.489 . 0 0 "[ . 1]" 1
102 1 8 VAL H 1 9 THR HA . . 5.270 5.129 5.056 5.165 . 0 0 "[ . 1]" 1
103 1 8 VAL H 1 9 THR H . . 3.180 2.320 2.221 2.365 . 0 0 "[ . 1]" 1
104 1 8 VAL H 1 9 THR MG . . 4.210 3.960 3.833 4.033 . 0 0 "[ . 1]" 1
105 1 8 VAL QG 1 10 GLY H . . 5.020 4.906 4.889 4.940 . 0 0 "[ . 1]" 1
106 1 8 VAL QG 2 26 LEU HA . . 4.440 4.628 4.547 4.703 0.263 6 0 "[ . 1]" 1
107 1 8 VAL QG 2 26 LEU HB2 . . 4.690 4.929 4.897 4.974 0.284 10 0 "[ . 1]" 1
108 1 8 VAL QG 2 26 LEU HG . . 3.110 2.915 2.839 2.969 . 0 0 "[ . 1]" 1
109 1 8 VAL QG 2 30 GLY HA2 . . 3.960 2.856 2.651 3.176 . 0 0 "[ . 1]" 1
110 1 8 VAL QG 2 33 GLN QG . . 3.830 2.538 2.151 3.580 . 0 0 "[ . 1]" 1
111 1 8 VAL QG 1 9 THR H . . 3.910 3.527 3.494 3.550 . 0 0 "[ . 1]" 1
112 1 8 VAL QG 1 9 THR MG . . 3.940 2.527 2.335 2.727 . 0 0 "[ . 1]" 1
113 1 9 THR HA 1 9 THR HB . . 2.970 2.363 2.352 2.369 . 0 0 "[ . 1]" 1
114 1 9 THR HA 1 9 THR MG . . 3.360 2.487 2.468 2.501 . 0 0 "[ . 1]" 1
115 1 9 THR HB 1 11 GLU H . . 4.000 3.584 3.533 3.627 . 0 0 "[ . 1]" 1
116 1 9 THR HB 1 11 GLU QB . . 4.760 4.055 4.009 4.117 . 0 0 "[ . 1]" 1
117 1 9 THR HB 1 11 GLU QG . . 4.860 3.393 3.023 3.640 . 0 0 "[ . 1]" 1
118 1 9 THR H 1 10 GLY HA3 . . 5.070 4.653 4.623 4.691 . 0 0 "[ . 1]" 1
119 1 9 THR H 1 10 GLY H . . 3.060 1.945 1.909 1.998 . 0 0 "[ . 1]" 1
120 1 9 THR H 1 11 GLU H . . 4.260 3.913 3.876 3.981 . 0 0 "[ . 1]" 1
121 1 9 THR H 2 26 LEU HG . . 4.870 4.654 4.599 4.690 . 0 0 "[ . 1]" 1
122 1 9 THR H 2 30 GLY H . . 5.500 5.436 5.324 5.508 0.008 10 0 "[ . 1]" 1
123 1 9 THR H 1 9 THR MG . . 3.470 2.824 2.746 2.875 . 0 0 "[ . 1]" 1
124 1 9 THR MG 1 10 GLY H . . 4.230 3.808 3.794 3.843 . 0 0 "[ . 1]" 1
125 1 9 THR MG 1 11 GLU H . . 4.210 4.168 4.144 4.187 . 0 0 "[ . 1]" 1
126 1 9 THR MG 1 11 GLU QB . . 4.150 4.153 4.128 4.170 0.020 10 0 "[ . 1]" 1
127 1 9 THR MG 2 26 LEU HG . . 4.800 4.815 4.801 4.822 0.022 4 0 "[ . 1]" 1
128 1 9 THR MG 2 26 LEU QD . . 4.170 3.710 3.616 3.768 . 0 0 "[ . 1]" 1
129 1 9 THR MG 2 29 GLU H . . 4.350 4.105 3.950 4.290 . 0 0 "[ . 1]" 1
130 1 9 THR MG 2 30 GLY HA2 . . 3.850 2.310 2.250 2.378 . 0 0 "[ . 1]" 1
131 1 9 THR MG 2 30 GLY H . . 3.650 2.858 2.797 2.908 . 0 0 "[ . 1]" 1
132 1 9 THR MG 2 32 GLU H . . 5.500 5.520 5.507 5.547 0.047 6 0 "[ . 1]" 1
133 1 9 THR MG 2 33 GLN H . . 4.810 4.585 4.464 4.729 . 0 0 "[ . 1]" 1
134 1 10 GLY H 1 10 GLY HA3 . . 2.900 3.009 2.998 3.020 0.120 1 0 "[ . 1]" 1
135 1 10 GLY H 1 11 GLU H . . 3.340 2.365 2.310 2.443 . 0 0 "[ . 1]" 1
136 1 10 GLY H 1 11 GLU QB . . 4.280 4.236 4.177 4.284 0.004 9 0 "[ . 1]" 1
137 1 11 GLU HA 1 12 VAL H . . 2.540 2.131 2.091 2.173 . 0 0 "[ . 1]" 1
138 1 11 GLU HA 1 12 VAL QG . . 3.870 3.418 3.202 3.792 . 0 0 "[ . 1]" 1
139 1 11 GLU H 1 11 GLU QB . . 2.780 2.234 2.197 2.299 . 0 0 "[ . 1]" 1
140 1 11 GLU H 1 11 GLU QG . . 4.060 2.623 2.455 2.716 . 0 0 "[ . 1]" 1
141 1 11 GLU H 1 12 VAL H . . 4.630 4.580 4.543 4.600 . 0 0 "[ . 1]" 1
142 1 11 GLU H 1 12 VAL QG . . 5.090 5.261 4.994 5.422 0.332 7 0 "[ . 1]" 1
143 1 11 GLU H 2 27 SER H . . 5.040 4.787 4.754 4.864 . 0 0 "[ . 1]" 1
144 1 11 GLU QB 1 12 VAL H . . 3.060 2.790 2.712 2.872 . 0 0 "[ . 1]" 1
145 1 11 GLU QB 1 13 SER H . . 5.170 5.011 4.832 5.128 . 0 0 "[ . 1]" 1
146 1 11 GLU QB 2 27 SER HB2 . . 4.680 2.615 2.519 2.752 . 0 0 "[ . 1]" 1
147 1 11 GLU QB 2 27 SER H . . 5.500 3.964 3.902 3.990 . 0 0 "[ . 1]" 1
148 1 11 GLU QG 1 12 VAL H . . 4.120 4.153 3.831 4.198 0.078 3 0 "[ . 1]" 1
149 1 11 GLU QG 2 27 SER HB2 . . 4.690 4.556 4.427 4.698 0.008 2 0 "[ . 1]" 1
150 1 12 VAL HA 1 12 VAL MG1 . . 3.620 3.125 2.633 3.254 . 0 0 "[ . 1]" 1
151 1 12 VAL HA 1 12 VAL MG2 . . 3.620 2.485 2.422 2.523 . 0 0 "[ . 1]" 1
152 1 12 VAL HA 1 12 VAL QG . . 3.010 2.386 2.238 2.440 . 0 0 "[ . 1]" 1
153 1 12 VAL HA 1 13 SER H . . 2.730 2.129 2.059 2.211 . 0 0 "[ . 1]" 1
154 1 12 VAL HB 1 13 SER H . . 4.590 4.128 3.971 4.448 . 0 0 "[ . 1]" 1
155 1 12 VAL H 1 12 VAL HB . . 3.460 3.184 2.384 3.412 . 0 0 "[ . 1]" 1
156 1 12 VAL H 1 12 VAL MG1 . . 3.880 2.555 2.224 3.773 . 0 0 "[ . 1]" 1
157 1 12 VAL H 1 12 VAL MG2 . . 3.880 3.720 3.058 3.904 0.024 10 0 "[ . 1]" 1
158 1 12 VAL H 1 12 VAL QG . . 3.050 2.377 2.211 2.934 . 0 0 "[ . 1]" 1
159 1 12 VAL H 1 13 SER H . . 4.820 4.369 4.279 4.450 . 0 0 "[ . 1]" 1
160 1 12 VAL H 2 27 SER HB2 . . 4.330 4.307 4.199 4.362 0.032 8 0 "[ . 1]" 1
161 1 12 VAL MG1 1 13 SER H . . 4.610 4.044 3.035 4.401 . 0 0 "[ . 1]" 1
162 1 12 VAL MG2 1 13 SER H . . 4.610 2.972 2.567 4.082 . 0 0 "[ . 1]" 1
163 1 12 VAL QG 1 13 SER HA . . 4.080 3.300 3.120 3.523 . 0 0 "[ . 1]" 1
164 1 12 VAL QG 1 13 SER H . . 3.260 2.731 2.546 2.989 . 0 0 "[ . 1]" 1
165 1 12 VAL QG 1 13 SER QB . . 5.020 4.198 4.028 4.488 . 0 0 "[ . 1]" 1
166 1 13 SER HA 1 42 LEU QD . . 4.410 4.151 3.741 4.409 . 0 0 "[ . 1]" 1
167 1 13 SER HB3 1 15 ASP H . . 4.360 3.394 2.884 4.239 . 0 0 "[ . 1]" 1
168 1 13 SER H 1 13 SER HB3 . . 3.840 3.072 2.609 3.857 0.017 3 0 "[ . 1]" 1
169 1 13 SER H 1 13 SER QB . . 3.270 2.707 2.500 3.008 . 0 0 "[ . 1]" 1
170 1 13 SER H 1 15 ASP H . . 5.250 5.106 4.916 5.303 0.053 9 0 "[ . 1]" 1
171 1 13 SER H 1 42 LEU QD . . 4.280 4.231 4.041 4.332 0.052 2 0 "[ . 1]" 1
172 1 13 SER QB 1 15 ASP H . . 3.570 2.961 2.290 3.331 . 0 0 "[ . 1]" 1
173 1 13 SER QB 1 15 ASP QB . . 5.180 3.689 3.135 4.543 . 0 0 "[ . 1]" 1
174 1 13 SER QB 1 42 LEU HG . . 5.340 3.296 2.658 4.371 . 0 0 "[ . 1]" 1
175 1 13 SER QB 1 42 LEU QD . . 4.550 2.088 1.843 2.225 . 0 0 "[ . 1]" 1
176 1 14 ASP HA 1 15 ASP H . . 3.480 3.496 3.476 3.514 0.034 9 0 "[ . 1]" 1
177 1 15 ASP H 1 15 ASP HB3 . . 3.520 3.429 2.659 3.634 0.114 5 0 "[ . 1]" 1
178 1 15 ASP H 1 15 ASP QB . . 2.880 2.489 2.384 2.672 . 0 0 "[ . 1]" 1
179 1 15 ASP QB 1 42 LEU H . . 4.750 4.496 4.110 4.788 0.038 8 0 "[ . 1]" 1
180 1 17 LEU HA 1 17 LEU HG . . 4.110 3.284 3.149 3.384 . 0 0 "[ . 1]" 1
181 1 17 LEU HA 1 17 LEU MD2 . . 3.230 2.217 2.182 2.262 . 0 0 "[ . 1]" 1
182 1 17 LEU HA 1 18 LYS H . . 2.970 2.394 2.340 2.458 . 0 0 "[ . 1]" 1
183 1 17 LEU HA 2 25 VAL HA . . 5.500 5.531 5.511 5.565 0.065 7 0 "[ . 1]" 1
184 1 17 LEU HG 1 39 GLN QG . . 5.500 5.503 5.459 5.566 0.066 4 0 "[ . 1]" 1
185 1 17 LEU HG 1 42 LEU QD . . 3.190 2.113 2.045 2.312 . 0 0 "[ . 1]" 1
186 1 17 LEU HG 2 28 LYS HA . . 4.320 4.091 3.996 4.181 . 0 0 "[ . 1]" 1
187 1 17 LEU HG 2 31 ALA H . . 5.460 5.426 5.352 5.494 0.034 9 0 "[ . 1]" 1
188 1 17 LEU H 1 17 LEU HG . . 3.040 2.154 2.117 2.210 . 0 0 "[ . 1]" 1
189 1 17 LEU H 1 17 LEU QB . . 3.560 2.480 2.384 2.580 . 0 0 "[ . 1]" 1
190 1 17 LEU H 1 17 LEU MD1 . . 3.880 3.602 3.494 3.681 . 0 0 "[ . 1]" 1
191 1 17 LEU H 1 17 LEU MD2 . . 4.000 3.118 2.958 3.330 . 0 0 "[ . 1]" 1
192 1 17 LEU H 1 18 LYS H . . 4.590 4.624 4.597 4.647 0.057 9 0 "[ . 1]" 1
193 1 17 LEU H 2 25 VAL MG1 . . 4.690 3.638 3.567 3.729 . 0 0 "[ . 1]" 1
194 1 17 LEU H 2 26 LEU H . . 4.590 3.921 3.706 4.112 . 0 0 "[ . 1]" 1
195 1 17 LEU H 2 27 SER HA . . 3.690 3.079 2.817 3.387 . 0 0 "[ . 1]" 1
196 1 17 LEU H 2 27 SER H . . 5.500 5.156 4.904 5.428 . 0 0 "[ . 1]" 1
197 1 17 LEU H 2 31 ALA MB . . 4.840 4.761 4.661 4.846 0.006 2 0 "[ . 1]" 1
198 1 17 LEU QB 1 18 LYS H . . 4.380 2.591 2.468 2.722 . 0 0 "[ . 1]" 1
199 1 17 LEU QB 1 38 ILE HB . . 5.140 5.054 4.822 5.152 0.012 8 0 "[ . 1]" 1
200 1 17 LEU QB 1 38 ILE MG . . 4.830 2.368 2.261 2.438 . 0 0 "[ . 1]" 1
201 1 17 LEU QB 1 42 LEU HB2 . . 4.700 4.495 4.375 4.647 . 0 0 "[ . 1]" 1
202 1 17 LEU QB 2 26 LEU HB2 . . 5.460 3.163 3.053 3.255 . 0 0 "[ . 1]" 1
203 1 17 LEU QB 2 26 LEU H . . 4.170 3.615 3.593 3.650 . 0 0 "[ . 1]" 1
204 1 17 LEU QB 2 31 ALA HA . . 4.870 4.178 4.116 4.226 . 0 0 "[ . 1]" 1
205 1 17 LEU QB 2 32 GLU H . . 5.500 5.540 5.504 5.564 0.064 3 0 "[ . 1]" 1
206 1 17 LEU MD1 1 38 ILE HA . . 4.830 4.380 4.179 4.558 . 0 0 "[ . 1]" 1
207 1 17 LEU MD1 1 38 ILE QG . . 5.310 4.532 4.441 4.763 . 0 0 "[ . 1]" 1
208 1 17 LEU MD1 1 39 GLN HA . . 3.870 2.585 2.531 2.626 . 0 0 "[ . 1]" 1
209 1 17 LEU MD1 1 39 GLN HB2 . . 5.500 4.812 4.723 4.856 . 0 0 "[ . 1]" 1
210 1 17 LEU MD1 1 39 GLN QG . . 4.210 2.872 2.828 2.939 . 0 0 "[ . 1]" 1
211 1 17 LEU MD1 1 42 LEU HB2 . . 4.160 2.393 2.148 2.581 . 0 0 "[ . 1]" 1
212 1 17 LEU MD1 1 42 LEU HG . . 4.360 3.766 2.291 4.371 0.011 5 0 "[ . 1]" 1
213 1 17 LEU MD1 1 42 LEU QD . . 2.640 2.413 2.113 3.059 0.419 8 0 "[ . 1]" 1
214 1 17 LEU MD1 2 27 SER HA . . 5.180 3.361 3.289 3.608 . 0 0 "[ . 1]" 1
215 1 17 LEU MD1 2 28 LYS HA . . 3.320 2.010 1.947 2.086 . 0 0 "[ . 1]" 1
216 1 17 LEU MD1 2 28 LYS H . . 4.540 3.223 3.088 3.297 . 0 0 "[ . 1]" 1
217 1 17 LEU MD1 2 28 LYS QB . . 3.950 3.369 3.205 3.511 . 0 0 "[ . 1]" 1
218 1 17 LEU MD1 2 29 GLU HA . . 5.500 5.547 5.527 5.579 0.079 10 0 "[ . 1]" 1
219 1 17 LEU MD1 2 29 GLU H . . 4.500 4.424 4.393 4.463 . 0 0 "[ . 1]" 1
220 1 17 LEU MD1 2 30 GLY H . . 4.800 4.649 4.594 4.687 . 0 0 "[ . 1]" 1
221 1 17 LEU MD1 2 31 ALA H . . 3.630 3.193 3.142 3.276 . 0 0 "[ . 1]" 1
222 1 17 LEU MD1 2 31 ALA MB . . 2.750 1.974 1.940 2.016 . 0 0 "[ . 1]" 1
223 1 17 LEU MD1 2 32 GLU H . . 4.340 4.173 4.135 4.223 . 0 0 "[ . 1]" 1
224 1 17 LEU MD2 1 18 LYS H . . 4.250 3.608 3.501 3.732 . 0 0 "[ . 1]" 1
225 1 17 LEU MD2 1 38 ILE HA . . 4.940 3.236 3.195 3.296 . 0 0 "[ . 1]" 1
226 1 17 LEU MD2 1 38 ILE QG . . 4.110 3.580 3.463 3.812 . 0 0 "[ . 1]" 1
227 1 17 LEU MD2 1 40 ASN H . . 5.390 5.199 5.142 5.243 . 0 0 "[ . 1]" 1
228 1 17 LEU MD2 1 41 GLN H . . 3.990 4.010 3.951 4.059 0.069 9 0 "[ . 1]" 1
229 1 17 LEU MD2 1 41 GLN QG . . 4.920 4.451 4.267 4.671 . 0 0 "[ . 1]" 1
230 1 17 LEU MD2 1 42 LEU HB2 . . 3.440 2.033 1.996 2.068 . 0 0 "[ . 1]" 1
231 1 17 LEU MD2 1 42 LEU HG . . 4.880 3.951 3.458 4.164 . 0 0 "[ . 1]" 1
232 1 17 LEU MD2 1 42 LEU H . . 3.130 2.534 2.443 2.643 . 0 0 "[ . 1]" 1
233 1 17 LEU MD2 2 28 LYS HA . . 4.510 4.371 4.329 4.425 . 0 0 "[ . 1]" 1
234 1 17 LEU MD2 2 31 ALA MB . . 3.580 3.619 3.596 3.651 0.071 4 0 "[ . 1]" 1
235 1 18 LYS HA 1 18 LYS QD . . 4.770 3.975 3.422 4.268 . 0 0 "[ . 1]" 1
236 1 18 LYS HA 1 19 LEU H . . 2.700 2.193 2.140 2.269 . 0 0 "[ . 1]" 1
237 1 18 LYS HA 2 25 VAL HA . . 2.990 2.579 2.495 2.637 . 0 0 "[ . 1]" 1
238 1 18 LYS HA 2 25 VAL MG2 . . 3.950 3.938 3.827 3.976 0.026 7 0 "[ . 1]" 1
239 1 18 LYS HA 2 26 LEU H . . 3.960 2.885 2.793 2.958 . 0 0 "[ . 1]" 1
240 1 18 LYS HB2 2 22 GLY HA3 . . 5.690 3.012 2.725 3.252 . 0 0 "[ . 1]" 1
241 1 18 LYS HB2 2 22 GLY H . . 4.920 4.486 4.314 4.826 . 0 0 "[ . 1]" 1
242 1 18 LYS HB2 2 25 VAL HA . . 5.040 4.978 4.885 5.044 0.004 6 0 "[ . 1]" 1
243 1 18 LYS H 1 18 LYS HB2 . . 3.400 2.911 2.867 2.959 . 0 0 "[ . 1]" 1
244 1 18 LYS H 1 18 LYS QE . . 5.500 5.317 5.029 5.535 0.035 6 0 "[ . 1]" 1
245 1 18 LYS H 1 18 LYS QG . . 4.650 3.130 2.886 3.895 . 0 0 "[ . 1]" 1
246 1 18 LYS H 1 19 LEU H . . 4.700 4.471 4.447 4.507 . 0 0 "[ . 1]" 1
247 1 18 LYS QD 2 25 VAL MG2 . . 3.370 3.347 3.227 3.391 0.021 1 0 "[ . 1]" 1
248 1 18 LYS QE 2 25 VAL MG2 . . 3.730 2.209 1.940 2.399 . 0 0 "[ . 1]" 1
249 1 18 LYS QE 1 18 LYS QG . . 3.420 2.190 2.080 2.313 . 0 0 "[ . 1]" 1
250 1 18 LYS QG 2 22 GLY HA3 . . 4.370 4.240 3.332 4.572 0.202 6 0 "[ . 1]" 1
251 1 18 LYS QG 2 25 VAL HA . . 3.760 2.512 2.359 2.588 . 0 0 "[ . 1]" 1
252 1 18 LYS QG 2 25 VAL H . . 4.700 4.597 4.357 4.712 0.012 4 0 "[ . 1]" 1
253 1 19 LEU HA 1 19 LEU MD1 . . 3.720 3.457 3.392 3.482 . 0 0 "[ . 1]" 1
254 1 19 LEU HA 1 20 ALA HA . . 5.290 4.183 4.113 4.324 . 0 0 "[ . 1]" 1
255 1 19 LEU HA 1 20 ALA H . . 3.220 2.465 2.403 2.591 . 0 0 "[ . 1]" 1
256 1 19 LEU HA 1 20 ALA MB . . 5.500 3.924 3.836 4.194 . 0 0 "[ . 1]" 1
257 1 19 LEU HA 2 20 ALA MB . . 5.500 4.636 4.463 4.740 . 0 0 "[ . 1]" 1
258 1 19 LEU HA 2 21 GLY H . . 5.500 5.555 5.544 5.574 0.074 8 0 "[ . 1]" 1
259 1 19 LEU HA 2 23 LYS H . . 5.020 4.437 4.321 4.515 . 0 0 "[ . 1]" 1
260 1 19 LEU HA 2 34 ILE MD . . 5.410 2.071 2.040 2.120 . 0 0 "[ . 1]" 1
261 1 19 LEU HA 2 34 ILE QG . . 4.420 4.194 4.142 4.247 . 0 0 "[ . 1]" 1
262 1 19 LEU HB2 1 20 ALA H . . 3.880 3.922 3.842 3.948 0.068 2 0 "[ . 1]" 1
263 1 19 LEU HB2 2 24 LEU HA . . 5.050 4.986 4.850 5.053 0.003 9 0 "[ . 1]" 1
264 1 19 LEU HB2 2 24 LEU HB3 . . 4.450 2.903 2.714 3.038 . 0 0 "[ . 1]" 1
265 1 19 LEU HB2 2 24 LEU H . . 3.600 2.957 2.786 3.048 . 0 0 "[ . 1]" 1
266 1 19 LEU HB2 2 25 VAL HA . . 5.500 5.145 5.089 5.192 . 0 0 "[ . 1]" 1
267 1 19 LEU HB2 2 25 VAL H . . 5.390 5.432 5.410 5.451 0.061 9 0 "[ . 1]" 1
268 1 19 LEU HB2 2 26 LEU QD . . 3.670 2.240 2.158 2.397 . 0 0 "[ . 1]" 1
269 1 19 LEU HB2 2 34 ILE MD . . 3.800 2.908 2.858 2.984 . 0 0 "[ . 1]" 1
270 1 19 LEU HG 1 20 ALA HA . . 5.270 4.996 4.815 5.073 . 0 0 "[ . 1]" 1
271 1 19 LEU HG 2 23 LYS H . . 5.500 5.242 4.970 5.374 . 0 0 "[ . 1]" 1
272 1 19 LEU HG 2 34 ILE HA . . 5.500 5.563 5.548 5.574 0.074 1 0 "[ . 1]" 1
273 1 19 LEU HG 2 34 ILE MD . . 4.180 2.152 2.113 2.183 . 0 0 "[ . 1]" 1
274 1 19 LEU HG 2 34 ILE QG . . 3.640 3.288 3.224 3.376 . 0 0 "[ . 1]" 1
275 1 19 LEU H 1 19 LEU HB2 . . 3.100 2.237 2.227 2.252 . 0 0 "[ . 1]" 1
276 1 19 LEU H 1 19 LEU MD1 . . 4.030 4.040 4.027 4.047 0.017 7 0 "[ . 1]" 1
277 1 19 LEU H 1 20 ALA H . . 4.630 4.662 4.653 4.671 0.041 5 0 "[ . 1]" 1
278 1 19 LEU H 2 22 GLY H . . 5.370 4.751 4.604 4.845 . 0 0 "[ . 1]" 1
279 1 19 LEU H 2 23 LYS HA . . 5.420 5.443 5.322 5.490 0.070 8 0 "[ . 1]" 1
280 1 19 LEU H 2 23 LYS H . . 5.500 3.319 3.226 3.372 . 0 0 "[ . 1]" 1
281 1 19 LEU H 2 24 LEU H . . 3.820 2.319 2.211 2.414 . 0 0 "[ . 1]" 1
282 1 19 LEU H 2 25 VAL HA . . 3.910 3.944 3.922 3.963 0.053 1 0 "[ . 1]" 1
283 1 19 LEU H 2 26 LEU H . . 4.720 4.550 4.517 4.619 . 0 0 "[ . 1]" 1
284 1 19 LEU MD1 2 24 LEU HB3 . . 4.040 2.736 2.617 2.825 . 0 0 "[ . 1]" 1
285 1 19 LEU MD1 2 24 LEU H . . 4.390 4.076 3.888 4.194 . 0 0 "[ . 1]" 1
286 1 19 LEU MD2 1 20 ALA H . . 3.670 2.193 2.103 2.258 . 0 0 "[ . 1]" 1
287 1 19 LEU MD2 1 20 ALA MB . . 3.910 3.237 2.607 3.465 . 0 0 "[ . 1]" 1
288 1 19 LEU MD2 2 23 LYS H . . 5.040 3.643 3.288 3.876 . 0 0 "[ . 1]" 1
289 1 19 LEU MD2 2 23 LYS QB . . 3.750 2.347 2.191 2.496 . 0 0 "[ . 1]" 1
290 1 19 LEU MD2 2 23 LYS QE . . 4.060 2.604 1.924 3.614 . 0 0 "[ . 1]" 1
291 1 19 LEU MD2 2 23 LYS QG . . 3.380 3.195 3.111 3.247 . 0 0 "[ . 1]" 1
292 1 19 LEU MD2 2 24 LEU HB3 . . 4.490 4.047 3.886 4.196 . 0 0 "[ . 1]" 1
293 1 19 LEU MD2 2 24 LEU H . . 4.640 3.976 3.911 4.050 . 0 0 "[ . 1]" 1
294 1 20 ALA HA 2 20 ALA MB . . 3.770 2.828 2.504 3.053 . 0 0 "[ . 1]" 1
295 1 20 ALA HA 2 23 LYS QE . . 5.320 5.113 5.007 5.329 0.009 8 0 "[ . 1]" 1
296 1 20 ALA HA 2 34 ILE MG . . 5.340 4.787 4.484 4.968 . 0 0 "[ . 1]" 1
297 1 20 ALA H 1 20 ALA MB . . 3.280 2.293 2.203 2.338 . 0 0 "[ . 1]" 1
298 1 20 ALA H 1 21 GLY H . . 5.030 4.680 4.640 4.722 . 0 0 "[ . 1]" 1
299 1 20 ALA H 2 21 GLY H . . 5.320 4.791 4.652 5.096 . 0 0 "[ . 1]" 1
300 1 20 ALA H 2 22 GLY H . . 5.310 4.886 4.713 5.040 . 0 0 "[ . 1]" 1
301 1 20 ALA H 2 34 ILE MD . . 3.810 2.927 2.827 3.075 . 0 0 "[ . 1]" 1
302 1 20 ALA MB 1 21 GLY H . . 5.500 2.597 2.125 3.071 . 0 0 "[ . 1]" 1
303 1 20 ALA MB 1 22 GLY HA3 . . 5.800 5.167 5.014 5.257 . 0 0 "[ . 1]" 1
304 1 20 ALA MB 1 22 GLY H . . 4.630 3.878 3.691 4.196 . 0 0 "[ . 1]" 1
305 1 20 ALA MB 1 23 LYS H . . 5.500 5.431 5.110 5.541 0.041 8 0 "[ . 1]" 1
306 1 20 ALA MB 2 19 LEU HA . . 5.500 4.696 4.442 5.202 . 0 0 "[ . 1]" 1
307 1 20 ALA MB 2 20 ALA HA . . 3.770 2.812 2.593 3.289 . 0 0 "[ . 1]" 1
308 1 20 ALA MB 2 23 LYS H . . 5.500 5.396 5.150 5.493 . 0 0 "[ . 1]" 1
309 1 20 ALA MB 2 23 LYS QE . . 4.690 4.386 3.834 4.692 0.002 5 0 "[ . 1]" 1
310 1 20 ALA MB 2 34 ILE MD . . 3.890 3.663 3.516 3.893 0.003 8 0 "[ . 1]" 1
311 1 20 ALA MB 2 34 ILE MG . . 4.100 2.819 2.735 2.959 . 0 0 "[ . 1]" 1
312 1 20 ALA MB 2 38 ILE QG . . 4.260 3.628 3.558 3.698 . 0 0 "[ . 1]" 1
313 1 21 GLY H 1 22 GLY H . . 4.880 2.074 1.860 2.393 . 0 0 "[ . 1]" 1
314 1 21 GLY H 2 19 LEU HA . . 5.500 5.545 5.527 5.569 0.069 9 0 "[ . 1]" 1
315 1 21 GLY H 2 20 ALA H . . 5.320 5.002 4.653 5.230 . 0 0 "[ . 1]" 1
316 1 21 GLY QA 2 22 GLY H . . 5.010 3.844 3.357 4.152 . 0 0 "[ . 1]" 1
317 1 22 GLY HA3 2 18 LYS HB2 . . 5.690 3.016 2.796 3.447 . 0 0 "[ . 1]" 1
318 1 22 GLY HA3 2 18 LYS QG . . 4.370 4.231 3.689 4.564 0.194 8 0 "[ . 1]" 1
319 1 22 GLY H 1 23 LYS H . . 3.360 2.479 2.159 2.662 . 0 0 "[ . 1]" 1
320 1 22 GLY H 1 23 LYS QB . . 4.990 4.371 3.310 4.782 . 0 0 "[ . 1]" 1
321 1 22 GLY H 1 23 LYS QG . . 5.300 3.745 2.996 5.339 0.039 9 0 "[ . 1]" 1
322 1 22 GLY H 1 24 LEU H . . 4.960 4.906 4.792 4.995 0.035 2 0 "[ . 1]" 1
323 1 22 GLY H 2 18 LYS HB2 . . 4.920 4.536 4.313 4.813 . 0 0 "[ . 1]" 1
324 1 22 GLY H 2 19 LEU H . . 5.370 4.794 4.747 4.912 . 0 0 "[ . 1]" 1
325 1 22 GLY H 2 20 ALA H . . 5.310 4.963 4.850 5.040 . 0 0 "[ . 1]" 1
326 1 22 GLY H 2 21 GLY QA . . 5.010 3.714 3.360 4.156 . 0 0 "[ . 1]" 1
327 1 23 LYS HA 2 19 LEU H . . 5.420 5.431 5.301 5.474 0.054 5 0 "[ . 1]" 1
328 1 23 LYS H 1 23 LYS QB . . 3.890 2.458 2.206 2.548 . 0 0 "[ . 1]" 1
329 1 23 LYS H 1 24 LEU H . . 2.940 2.624 2.552 2.707 . 0 0 "[ . 1]" 1
330 1 23 LYS H 2 19 LEU HA . . 5.020 4.418 4.271 4.464 . 0 0 "[ . 1]" 1
331 1 23 LYS H 2 19 LEU HG . . 5.500 5.222 5.144 5.340 . 0 0 "[ . 1]" 1
332 1 23 LYS H 2 19 LEU H . . 5.500 3.338 3.204 3.408 . 0 0 "[ . 1]" 1
333 1 23 LYS H 2 19 LEU MD2 . . 5.040 3.643 3.513 3.862 . 0 0 "[ . 1]" 1
334 1 23 LYS H 2 20 ALA MB . . 5.500 5.423 5.278 5.505 0.005 4 0 "[ . 1]" 1
335 1 23 LYS QB 1 23 LYS QE . . 4.420 3.127 2.070 3.651 . 0 0 "[ . 1]" 1
336 1 23 LYS QB 2 19 LEU MD2 . . 3.750 2.287 2.206 2.428 . 0 0 "[ . 1]" 1
337 1 23 LYS QE 2 19 LEU MD2 . . 4.060 3.208 1.919 3.630 . 0 0 "[ . 1]" 1
338 1 23 LYS QE 2 20 ALA HA . . 5.320 5.165 4.909 5.284 . 0 0 "[ . 1]" 1
339 1 23 LYS QE 2 20 ALA MB . . 4.690 4.588 4.325 4.703 0.013 7 0 "[ . 1]" 1
340 1 23 LYS QG 2 19 LEU MD2 . . 3.380 3.150 3.093 3.216 . 0 0 "[ . 1]" 1
341 1 24 LEU HA 1 24 LEU HG . . 4.010 3.190 3.061 3.721 . 0 0 "[ . 1]" 1
342 1 24 LEU HA 1 24 LEU QD . . 3.540 2.105 2.068 2.123 . 0 0 "[ . 1]" 1
343 1 24 LEU HA 1 25 VAL H . . 2.840 2.433 2.384 2.477 . 0 0 "[ . 1]" 1
344 1 24 LEU HA 2 19 LEU HB2 . . 5.050 5.004 4.929 5.049 . 0 0 "[ . 1]" 1
345 1 24 LEU HB3 2 19 LEU HB2 . . 4.450 2.993 2.719 3.118 . 0 0 "[ . 1]" 1
346 1 24 LEU HB3 2 19 LEU MD1 . . 4.040 2.828 2.703 2.956 . 0 0 "[ . 1]" 1
347 1 24 LEU HB3 2 19 LEU MD2 . . 4.490 4.071 3.865 4.399 . 0 0 "[ . 1]" 1
348 1 24 LEU HG 1 25 VAL H . . 4.160 2.425 2.192 3.977 . 0 0 "[ . 1]" 1
349 1 24 LEU HG 2 7 GLN H . . 5.500 4.107 3.892 5.251 . 0 0 "[ . 1]" 1
350 1 24 LEU H 1 24 LEU HB3 . . 3.320 3.045 2.890 3.262 . 0 0 "[ . 1]" 1
351 1 24 LEU H 1 25 VAL HA . . 5.010 4.684 4.614 4.714 . 0 0 "[ . 1]" 1
352 1 24 LEU H 1 25 VAL H . . 4.600 4.400 4.349 4.431 . 0 0 "[ . 1]" 1
353 1 24 LEU H 2 19 LEU HB2 . . 3.600 2.957 2.900 3.007 . 0 0 "[ . 1]" 1
354 1 24 LEU H 2 19 LEU H . . 3.820 2.296 2.171 2.359 . 0 0 "[ . 1]" 1
355 1 24 LEU H 2 19 LEU MD1 . . 4.390 4.100 4.027 4.183 . 0 0 "[ . 1]" 1
356 1 24 LEU H 2 19 LEU MD2 . . 4.640 3.951 3.865 4.006 . 0 0 "[ . 1]" 1
357 1 24 LEU QD 1 25 VAL H . . 2.910 2.215 1.647 2.551 . 0 0 "[ . 1]" 1
358 1 24 LEU QD 1 26 LEU H . . 4.310 5.481 4.652 5.679 1.369 7 9 "[*** -*+***]" 1
359 1 24 LEU QD 1 26 LEU QD . . 2.810 3.251 3.067 3.487 0.677 2 2 "[ + .- 1]" 1
360 1 24 LEU QD 2 4 MET QG . . 5.440 5.290 4.833 5.465 0.025 7 0 "[ . 1]" 1
361 1 24 LEU QD 2 7 GLN HA . . 4.390 4.436 4.173 4.627 0.237 7 0 "[ . 1]" 1
362 1 24 LEU QD 2 7 GLN H . . 3.810 3.849 3.164 4.093 0.283 2 0 "[ . 1]" 1
363 1 24 LEU QD 2 7 GLN QB . . 3.010 2.273 2.173 2.389 . 0 0 "[ . 1]" 1
364 1 25 VAL HA 1 25 VAL MG2 . . 3.170 2.289 2.262 2.323 . 0 0 "[ . 1]" 1
365 1 25 VAL HA 1 26 LEU HA . . 5.500 4.440 4.423 4.457 . 0 0 "[ . 1]" 1
366 1 25 VAL HA 1 26 LEU H . . 2.680 1.979 1.922 2.001 . 0 0 "[ . 1]" 1
367 1 25 VAL HA 2 17 LEU HA . . 5.500 5.526 5.503 5.558 0.058 7 0 "[ . 1]" 1
368 1 25 VAL HA 2 18 LYS HA . . 2.990 2.587 2.518 2.641 . 0 0 "[ . 1]" 1
369 1 25 VAL HA 2 18 LYS HB2 . . 5.040 4.983 4.767 5.051 0.011 4 0 "[ . 1]" 1
370 1 25 VAL HA 2 18 LYS QG . . 3.760 2.496 2.154 2.617 . 0 0 "[ . 1]" 1
371 1 25 VAL HA 2 19 LEU HB2 . . 5.500 5.129 5.086 5.188 . 0 0 "[ . 1]" 1
372 1 25 VAL HA 2 19 LEU H . . 3.910 3.938 3.926 3.962 0.052 7 0 "[ . 1]" 1
373 1 25 VAL HB 1 26 LEU H . . 4.470 4.111 4.065 4.154 . 0 0 "[ . 1]" 1
374 1 25 VAL HB 2 4 MET HA . . 3.930 3.787 3.302 3.945 0.015 4 0 "[ . 1]" 1
375 1 25 VAL HB 2 5 THR HA . . 5.500 5.344 5.252 5.498 . 0 0 "[ . 1]" 1
376 1 25 VAL HB 2 5 THR H . . 4.250 3.857 3.587 3.967 . 0 0 "[ . 1]" 1
377 1 25 VAL HB 2 6 CYS HA . . 4.760 4.569 4.383 4.686 . 0 0 "[ . 1]" 1
378 1 25 VAL HB 2 7 GLN H . . 4.980 4.844 4.590 5.002 0.022 9 0 "[ . 1]" 1
379 1 25 VAL H 1 25 VAL HB . . 3.110 2.438 2.368 2.487 . 0 0 "[ . 1]" 1
380 1 25 VAL H 1 25 VAL MG1 . . 4.230 3.801 3.762 3.837 . 0 0 "[ . 1]" 1
381 1 25 VAL H 1 26 LEU H . . 4.520 4.461 4.367 4.481 . 0 0 "[ . 1]" 1
382 1 25 VAL H 1 26 LEU QD . . 4.480 3.744 3.704 3.794 . 0 0 "[ . 1]" 1
383 1 25 VAL H 2 4 MET QG . . 5.150 5.152 5.022 5.188 0.038 2 0 "[ . 1]" 1
384 1 25 VAL H 2 6 CYS HA . . 5.500 5.489 5.438 5.520 0.020 9 0 "[ . 1]" 1
385 1 25 VAL H 2 18 LYS QG . . 4.700 4.539 3.916 4.719 0.019 6 0 "[ . 1]" 1
386 1 25 VAL H 2 19 LEU HB2 . . 5.390 5.433 5.414 5.452 0.062 8 0 "[ . 1]" 1
387 1 25 VAL MG1 1 26 LEU HA . . 5.320 3.431 3.368 3.516 . 0 0 "[ . 1]" 1
388 1 25 VAL MG1 1 26 LEU H . . 3.150 2.449 2.408 2.546 . 0 0 "[ . 1]" 1
389 1 25 VAL MG1 2 4 MET HA . . 3.610 3.318 2.994 3.623 0.013 7 0 "[ . 1]" 1
390 1 25 VAL MG1 2 4 MET QG . . 5.220 3.025 2.769 3.309 . 0 0 "[ . 1]" 1
391 1 25 VAL MG1 2 5 THR H . . 4.040 3.484 3.314 3.757 . 0 0 "[ . 1]" 1
392 1 25 VAL MG1 2 6 CYS HA . . 3.910 3.246 3.074 3.396 . 0 0 "[ . 1]" 1
393 1 25 VAL MG1 2 6 CYS H . . 4.430 3.936 3.815 4.178 . 0 0 "[ . 1]" 1
394 1 25 VAL MG1 2 7 GLN H . . 4.560 4.444 4.242 4.576 0.016 6 0 "[ . 1]" 1
395 1 25 VAL MG1 2 17 LEU H . . 4.690 3.646 3.567 3.718 . 0 0 "[ . 1]" 1
396 1 25 VAL MG2 2 4 MET HA . . 3.890 3.633 3.319 3.896 0.006 7 0 "[ . 1]" 1
397 1 25 VAL MG2 2 4 MET HB3 . . 4.160 2.959 2.675 3.090 . 0 0 "[ . 1]" 1
398 1 25 VAL MG2 2 4 MET QG . . 5.220 2.130 2.019 2.230 . 0 0 "[ . 1]" 1
399 1 25 VAL MG2 2 5 THR H . . 4.620 4.600 4.485 4.639 0.019 6 0 "[ . 1]" 1
400 1 25 VAL MG2 2 18 LYS HA . . 3.950 3.934 3.846 3.984 0.034 7 0 "[ . 1]" 1
401 1 25 VAL MG2 2 18 LYS QD . . 3.370 3.261 2.506 3.389 0.019 1 0 "[ . 1]" 1
402 1 25 VAL MG2 2 18 LYS QE . . 3.730 2.375 1.975 3.753 0.023 2 0 "[ . 1]" 1
403 1 26 LEU HA 1 26 LEU HG . . 3.890 2.257 2.215 2.298 . 0 0 "[ . 1]" 1
404 1 26 LEU HA 1 27 SER HA . . 5.500 4.500 4.472 4.533 . 0 0 "[ . 1]" 1
405 1 26 LEU HA 1 27 SER H . . 3.170 2.447 2.410 2.496 . 0 0 "[ . 1]" 1
406 1 26 LEU HA 1 27 SER QB . . 4.820 4.279 4.156 4.375 . 0 0 "[ . 1]" 1
407 1 26 LEU HA 1 31 ALA H . . 5.120 5.053 4.940 5.129 0.009 1 0 "[ . 1]" 1
408 1 26 LEU HA 1 31 ALA MB . . 5.500 5.482 5.403 5.527 0.027 10 0 "[ . 1]" 1
409 1 26 LEU HA 2 6 CYS HA . . 3.200 1.963 1.933 1.986 . 0 0 "[ . 1]" 1
410 1 26 LEU HA 2 6 CYS HB2 . . 5.500 2.831 2.784 2.935 . 0 0 "[ . 1]" 1
411 1 26 LEU HA 2 7 GLN H . . 3.830 3.275 3.085 3.413 . 0 0 "[ . 1]" 1
412 1 26 LEU HA 2 8 VAL H . . 4.560 4.021 3.810 4.120 . 0 0 "[ . 1]" 1
413 1 26 LEU HA 2 8 VAL QG . . 4.440 4.599 4.508 4.709 0.269 6 0 "[ . 1]" 1
414 1 26 LEU HB3 1 27 SER H . . 4.620 2.696 2.627 2.753 . 0 0 "[ . 1]" 1
415 1 26 LEU HB3 1 31 ALA MB . . 4.640 3.546 3.474 3.601 . 0 0 "[ . 1]" 1
416 1 26 LEU HB3 1 34 ILE MD . . 4.060 3.881 3.785 3.962 . 0 0 "[ . 1]" 1
417 1 26 LEU HB3 2 8 VAL QG . . 4.690 4.393 4.278 4.483 . 0 0 "[ . 1]" 1
418 1 26 LEU HB3 2 17 LEU QB . . 5.460 3.710 3.616 3.779 . 0 0 "[ . 1]" 1
419 1 26 LEU HG 1 27 SER H . . 4.360 3.908 3.845 3.987 . 0 0 "[ . 1]" 1
420 1 26 LEU HG 1 30 GLY HA2 . . 5.310 4.367 4.279 4.471 . 0 0 "[ . 1]" 1
421 1 26 LEU HG 1 30 GLY H . . 5.200 5.289 5.280 5.300 0.100 7 0 "[ . 1]" 1
422 1 26 LEU HG 1 31 ALA HA . . 5.500 5.496 5.460 5.512 0.012 3 0 "[ . 1]" 1
423 1 26 LEU HG 1 31 ALA H . . 5.210 5.190 5.127 5.233 0.023 8 0 "[ . 1]" 1
424 1 26 LEU HG 2 6 CYS HA . . 4.350 3.301 3.226 3.460 . 0 0 "[ . 1]" 1
425 1 26 LEU HG 2 7 GLN H . . 3.570 3.106 2.995 3.196 . 0 0 "[ . 1]" 1
426 1 26 LEU HG 2 7 GLN QB . . 4.460 3.996 3.654 4.368 . 0 0 "[ . 1]" 1
427 1 26 LEU HG 2 8 VAL H . . 3.770 2.926 2.792 3.063 . 0 0 "[ . 1]" 1
428 1 26 LEU HG 2 8 VAL QG . . 3.110 2.875 2.793 2.968 . 0 0 "[ . 1]" 1
429 1 26 LEU HG 2 9 THR H . . 4.870 4.613 4.561 4.670 . 0 0 "[ . 1]" 1
430 1 26 LEU HG 2 9 THR MG . . 4.800 4.811 4.803 4.817 0.017 9 0 "[ . 1]" 1
431 1 26 LEU H 1 26 LEU HG . . 4.570 4.172 4.096 4.211 . 0 0 "[ . 1]" 1
432 1 26 LEU H 1 26 LEU QD . . 3.850 2.991 2.937 3.057 . 0 0 "[ . 1]" 1
433 1 26 LEU H 1 27 SER H . . 4.820 4.561 4.534 4.621 . 0 0 "[ . 1]" 1
434 1 26 LEU H 2 17 LEU H . . 4.590 3.922 3.749 4.067 . 0 0 "[ . 1]" 1
435 1 26 LEU H 2 17 LEU QB . . 4.170 3.655 3.569 3.758 . 0 0 "[ . 1]" 1
436 1 26 LEU H 2 18 LYS HA . . 3.960 2.914 2.800 3.003 . 0 0 "[ . 1]" 1
437 1 26 LEU H 2 19 LEU H . . 4.720 4.537 4.334 4.590 . 0 0 "[ . 1]" 1
438 1 26 LEU QD 1 27 SER H . . 4.940 3.896 3.838 3.939 . 0 0 "[ . 1]" 1
439 1 26 LEU QD 2 6 CYS HA . . 4.110 3.840 3.793 3.886 . 0 0 "[ . 1]" 1
440 1 26 LEU QD 2 19 LEU HB2 . . 3.670 2.195 2.149 2.239 . 0 0 "[ . 1]" 1
441 1 26 LEU QD 1 31 ALA HA . . 4.090 2.710 2.639 2.757 . 0 0 "[ . 1]" 1
442 1 26 LEU QD 1 31 ALA H . . 3.620 3.414 3.340 3.462 . 0 0 "[ . 1]" 1
443 1 26 LEU QD 1 32 GLU H . . 5.380 4.872 4.839 4.897 . 0 0 "[ . 1]" 1
444 1 26 LEU QD 1 34 ILE HB . . 4.980 3.892 3.840 4.037 . 0 0 "[ . 1]" 1
445 1 26 LEU QD 2 8 VAL HB . . 4.950 2.271 2.248 2.301 . 0 0 "[ . 1]" 1
446 1 26 LEU QD 2 9 THR MG . . 4.170 3.730 3.659 3.840 . 0 0 "[ . 1]" 1
447 1 27 SER HA 1 28 LYS H . . 3.490 2.630 2.561 2.674 . 0 0 "[ . 1]" 1
448 1 27 SER HA 1 28 LYS QB . . 5.340 4.463 4.356 5.024 . 0 0 "[ . 1]" 1
449 1 27 SER HA 1 29 GLU H . . 4.580 4.519 4.378 4.649 0.069 5 0 "[ . 1]" 1
450 1 27 SER HA 2 6 CYS HB2 . . 4.970 3.916 3.759 4.145 . 0 0 "[ . 1]" 1
451 1 27 SER HA 2 17 LEU H . . 3.690 3.244 2.813 3.682 . 0 0 "[ . 1]" 1
452 1 27 SER HA 2 17 LEU MD1 . . 5.180 3.590 3.265 3.830 . 0 0 "[ . 1]" 1
453 1 27 SER HA 2 42 LEU HG . . 5.500 4.784 3.620 5.501 0.001 3 0 "[ . 1]" 1
454 1 27 SER HB3 1 30 GLY H . . 4.560 3.674 3.151 4.121 . 0 0 "[ . 1]" 1
455 1 27 SER HB3 2 6 CYS HB2 . . 4.670 2.590 2.206 3.127 . 0 0 "[ . 1]" 1
456 1 27 SER HB3 2 11 GLU QB . . 4.680 2.231 2.069 2.349 . 0 0 "[ . 1]" 1
457 1 27 SER H 1 28 LYS H . . 5.260 4.369 4.326 4.424 . 0 0 "[ . 1]" 1
458 1 27 SER H 1 29 GLU H . . 4.890 4.372 4.299 4.424 . 0 0 "[ . 1]" 1
459 1 27 SER H 1 30 GLY HA2 . . 5.190 4.393 4.224 4.567 . 0 0 "[ . 1]" 1
460 1 27 SER H 1 30 GLY H . . 4.230 2.827 2.739 2.991 . 0 0 "[ . 1]" 1
461 1 27 SER H 1 31 ALA H . . 4.560 3.819 3.694 3.929 . 0 0 "[ . 1]" 1
462 1 27 SER H 2 6 CYS HA . . 4.250 3.498 3.435 3.550 . 0 0 "[ . 1]" 1
463 1 27 SER H 2 6 CYS HB2 . . 4.020 2.021 1.926 2.157 . 0 0 "[ . 1]" 1
464 1 27 SER H 2 6 CYS H . . 4.600 4.361 4.198 4.609 0.009 4 0 "[ . 1]" 1
465 1 27 SER H 2 7 GLN H . . 5.290 5.231 5.142 5.310 0.020 5 0 "[ . 1]" 1
466 1 27 SER H 2 11 GLU H . . 5.040 4.769 4.720 4.826 . 0 0 "[ . 1]" 1
467 1 27 SER H 2 11 GLU QB . . 5.500 3.996 3.879 4.084 . 0 0 "[ . 1]" 1
468 1 27 SER H 2 17 LEU H . . 5.500 5.212 4.891 5.526 0.026 6 0 "[ . 1]" 1
469 1 27 SER QB 1 28 LYS H . . 3.460 2.364 2.031 2.816 . 0 0 "[ . 1]" 1
470 1 27 SER QB 1 28 LYS QB . . 4.610 3.755 3.352 4.284 . 0 0 "[ . 1]" 1
471 1 27 SER QB 1 29 GLU H . . 3.440 2.951 2.813 3.115 . 0 0 "[ . 1]" 1
472 1 27 SER QB 1 30 GLY H . . 3.760 3.361 3.099 3.645 . 0 0 "[ . 1]" 1
473 1 27 SER QB 2 6 CYS HA . . 5.100 4.483 4.381 4.596 . 0 0 "[ . 1]" 1
474 1 27 SER QB 2 6 CYS HB2 . . 4.080 2.320 2.194 2.440 . 0 0 "[ . 1]" 1
475 1 27 SER QB 2 11 GLU H . . 4.230 3.673 3.540 3.774 . 0 0 "[ . 1]" 1
476 1 27 SER QB 2 11 GLU QB . . 4.090 2.117 1.987 2.213 . 0 0 "[ . 1]" 1
477 1 27 SER QB 2 11 GLU QG . . 4.580 3.698 3.530 3.871 . 0 0 "[ . 1]" 1
478 1 27 SER QB 2 12 VAL H . . 4.240 4.190 4.011 4.312 0.072 4 0 "[ . 1]" 1
479 1 27 SER QB 2 42 LEU QD . . 4.240 3.556 3.203 3.983 . 0 0 "[ . 1]" 1
480 1 28 LYS HA 1 29 GLU QG . . 5.380 4.973 4.897 5.137 . 0 0 "[ . 1]" 1
481 1 28 LYS HA 1 31 ALA H . . 4.160 3.857 3.774 3.988 . 0 0 "[ . 1]" 1
482 1 28 LYS HA 1 31 ALA MB . . 3.910 3.078 3.003 3.230 . 0 0 "[ . 1]" 1
483 1 28 LYS HA 1 32 GLU QG . . 5.500 5.181 4.954 5.384 . 0 0 "[ . 1]" 1
484 1 28 LYS HA 2 17 LEU HG . . 4.320 4.058 3.958 4.168 . 0 0 "[ . 1]" 1
485 1 28 LYS HA 2 17 LEU MD1 . . 3.320 1.989 1.937 2.057 . 0 0 "[ . 1]" 1
486 1 28 LYS HA 2 17 LEU MD2 . . 4.510 4.378 4.308 4.457 . 0 0 "[ . 1]" 1
487 1 28 LYS HA 2 42 LEU MD1 . . 4.470 3.275 2.529 4.240 . 0 0 "[ . 1]" 1
488 1 28 LYS HA 2 42 LEU MD2 . . 4.470 4.204 3.902 4.488 0.018 4 0 "[ . 1]" 1
489 1 28 LYS HA 2 42 LEU QD . . 3.780 3.130 2.500 3.877 0.097 4 0 "[ . 1]" 1
490 1 28 LYS H 1 28 LYS HB3 . . 3.860 2.806 2.406 3.052 . 0 0 "[ . 1]" 1
491 1 28 LYS H 1 28 LYS QB . . 3.320 2.155 2.010 2.785 . 0 0 "[ . 1]" 1
492 1 28 LYS H 1 29 GLU H . . 3.120 2.811 2.752 2.860 . 0 0 "[ . 1]" 1
493 1 28 LYS H 1 30 GLY H . . 4.450 4.245 4.197 4.314 . 0 0 "[ . 1]" 1
494 1 28 LYS H 1 31 ALA MB . . 4.880 4.851 4.810 4.890 0.010 8 0 "[ . 1]" 1
495 1 28 LYS H 2 6 CYS HB2 . . 5.500 5.507 5.442 5.530 0.030 8 0 "[ . 1]" 1
496 1 28 LYS H 2 17 LEU MD1 . . 4.540 3.256 3.192 3.329 . 0 0 "[ . 1]" 1
497 1 28 LYS QB 1 28 LYS QE . . 4.520 3.124 2.084 3.561 . 0 0 "[ . 1]" 1
498 1 28 LYS QB 1 29 GLU HA . . 4.770 3.981 3.826 4.211 . 0 0 "[ . 1]" 1
499 1 28 LYS QB 1 29 GLU H . . 2.940 2.569 2.388 3.022 0.082 7 0 "[ . 1]" 1
500 1 28 LYS QB 2 17 LEU MD1 . . 3.950 3.372 3.078 3.531 . 0 0 "[ . 1]" 1
501 1 28 LYS QB 2 42 LEU QD . . 3.620 2.192 2.000 2.436 . 0 0 "[ . 1]" 1
502 1 28 LYS QE 2 42 LEU QD . . 4.450 2.878 1.860 3.835 . 0 0 "[ . 1]" 1
503 1 29 GLU HA 2 17 LEU MD1 . . 5.500 5.545 5.516 5.569 0.069 7 0 "[ . 1]" 1
504 1 29 GLU HB2 1 30 GLY HA2 . . 5.390 4.637 4.388 4.727 . 0 0 "[ . 1]" 1
505 1 29 GLU HB2 1 30 GLY H . . 3.500 2.900 2.696 3.053 . 0 0 "[ . 1]" 1
506 1 29 GLU HB2 1 32 GLU QG . . 4.630 4.659 4.643 4.669 0.039 2 0 "[ . 1]" 1
507 1 29 GLU H 1 29 GLU QG . . 3.250 2.474 2.229 2.608 . 0 0 "[ . 1]" 1
508 1 29 GLU H 1 30 GLY H . . 2.970 2.524 2.458 2.619 . 0 0 "[ . 1]" 1
509 1 29 GLU H 1 31 ALA H . . 4.580 4.098 4.043 4.196 . 0 0 "[ . 1]" 1
510 1 29 GLU H 1 31 ALA MB . . 5.100 4.909 4.850 4.971 . 0 0 "[ . 1]" 1
511 1 29 GLU H 2 6 CYS HB2 . . 5.490 5.547 5.531 5.568 0.078 1 0 "[ . 1]" 1
512 1 29 GLU H 2 9 THR MG . . 4.350 4.149 3.924 4.273 . 0 0 "[ . 1]" 1
513 1 29 GLU H 2 17 LEU MD1 . . 4.500 4.460 4.386 4.509 0.009 4 0 "[ . 1]" 1
514 1 29 GLU QG 1 30 GLY H . . 4.620 4.257 4.060 4.342 . 0 0 "[ . 1]" 1
515 1 30 GLY HA2 1 31 ALA HA . . 4.930 4.797 4.784 4.808 . 0 0 "[ . 1]" 1
516 1 30 GLY HA2 1 32 GLU H . . 5.500 4.684 4.654 4.711 . 0 0 "[ . 1]" 1
517 1 30 GLY HA2 1 33 GLN H . . 3.800 3.369 3.252 3.496 . 0 0 "[ . 1]" 1
518 1 30 GLY HA2 1 33 GLN QB . . 4.930 2.594 2.461 2.834 . 0 0 "[ . 1]" 1
519 1 30 GLY HA2 1 34 ILE H . . 4.510 4.236 4.169 4.296 . 0 0 "[ . 1]" 1
520 1 30 GLY HA2 1 34 ILE QG . . 4.390 4.361 4.327 4.399 0.009 4 0 "[ . 1]" 1
521 1 30 GLY HA2 2 8 VAL H . . 5.500 4.795 4.655 4.918 . 0 0 "[ . 1]" 1
522 1 30 GLY HA2 2 8 VAL QG . . 3.960 2.914 2.664 3.101 . 0 0 "[ . 1]" 1
523 1 30 GLY HA2 2 9 THR MG . . 3.850 2.283 2.239 2.405 . 0 0 "[ . 1]" 1
524 1 30 GLY H 1 31 ALA H . . 3.120 2.764 2.704 2.808 . 0 0 "[ . 1]" 1
525 1 30 GLY H 1 31 ALA MB . . 4.460 4.443 4.381 4.473 0.013 10 0 "[ . 1]" 1
526 1 30 GLY H 1 33 GLN H . . 5.070 4.645 4.569 4.730 . 0 0 "[ . 1]" 1
527 1 30 GLY H 2 9 THR H . . 5.500 5.426 5.314 5.501 0.001 8 0 "[ . 1]" 1
528 1 30 GLY H 2 9 THR MG . . 3.650 2.885 2.787 2.955 . 0 0 "[ . 1]" 1
529 1 30 GLY H 2 17 LEU MD1 . . 4.800 4.721 4.615 4.812 0.012 4 0 "[ . 1]" 1
530 1 31 ALA HA 1 34 ILE HB . . 4.270 3.169 3.076 3.251 . 0 0 "[ . 1]" 1
531 1 31 ALA HA 1 34 ILE MD . . 3.670 2.244 2.156 2.323 . 0 0 "[ . 1]" 1
532 1 31 ALA HA 1 34 ILE QG . . 4.200 2.964 2.541 3.119 . 0 0 "[ . 1]" 1
533 1 31 ALA HA 2 17 LEU QB . . 4.870 4.190 4.164 4.244 . 0 0 "[ . 1]" 1
534 1 31 ALA HA 2 38 ILE MD . . 4.770 4.776 4.726 4.794 0.024 1 0 "[ . 1]" 1
535 1 31 ALA HA 2 38 ILE MG . . 4.500 4.053 3.970 4.182 . 0 0 "[ . 1]" 1
536 1 31 ALA H 1 31 ALA MB . . 2.670 2.243 2.219 2.270 . 0 0 "[ . 1]" 1
537 1 31 ALA H 1 32 GLU H . . 3.060 2.775 2.717 2.813 . 0 0 "[ . 1]" 1
538 1 31 ALA H 1 32 GLU QB . . 5.020 5.063 5.041 5.090 0.070 8 0 "[ . 1]" 1
539 1 31 ALA H 1 33 GLN H . . 4.300 4.017 3.919 4.087 . 0 0 "[ . 1]" 1
540 1 31 ALA H 1 34 ILE H . . 5.180 4.732 4.677 4.777 . 0 0 "[ . 1]" 1
541 1 31 ALA H 2 17 LEU HG . . 5.460 5.452 5.396 5.506 0.046 5 0 "[ . 1]" 1
542 1 31 ALA H 2 17 LEU MD1 . . 3.630 3.219 3.158 3.281 . 0 0 "[ . 1]" 1
543 1 31 ALA MB 1 32 GLU HA . . 4.540 3.901 3.820 3.979 . 0 0 "[ . 1]" 1
544 1 31 ALA MB 1 32 GLU H . . 2.960 2.551 2.508 2.581 . 0 0 "[ . 1]" 1
545 1 31 ALA MB 1 32 GLU QG . . 5.160 4.452 4.354 4.577 . 0 0 "[ . 1]" 1
546 1 31 ALA MB 1 33 GLN H . . 4.460 4.477 4.467 4.483 0.023 4 0 "[ . 1]" 1
547 1 31 ALA MB 1 34 ILE HB . . 4.920 4.266 4.193 4.372 . 0 0 "[ . 1]" 1
548 1 31 ALA MB 1 34 ILE H . . 5.010 4.531 4.468 4.597 . 0 0 "[ . 1]" 1
549 1 31 ALA MB 1 34 ILE MD . . 3.660 3.407 3.133 3.546 . 0 0 "[ . 1]" 1
550 1 31 ALA MB 1 35 ILE H . . 5.260 4.713 4.618 4.787 . 0 0 "[ . 1]" 1
551 1 31 ALA MB 2 17 LEU H . . 4.840 4.762 4.666 4.865 0.025 6 0 "[ . 1]" 1
552 1 31 ALA MB 2 17 LEU MD1 . . 2.750 1.980 1.911 2.069 . 0 0 "[ . 1]" 1
553 1 31 ALA MB 2 17 LEU MD2 . . 3.580 3.620 3.598 3.657 0.077 4 0 "[ . 1]" 1
554 1 31 ALA MB 2 35 ILE MD . . 4.180 2.088 1.954 2.228 . 0 0 "[ . 1]" 1
555 1 31 ALA MB 2 35 ILE QG . . 4.950 3.520 3.349 3.688 . 0 0 "[ . 1]" 1
556 1 31 ALA MB 2 38 ILE HA . . 5.360 5.171 5.114 5.254 . 0 0 "[ . 1]" 1
557 1 31 ALA MB 2 38 ILE HB . . 3.600 3.680 3.649 3.695 0.095 10 0 "[ . 1]" 1
558 1 31 ALA MB 2 38 ILE H . . 5.500 5.550 5.523 5.585 0.085 8 0 "[ . 1]" 1
559 1 31 ALA MB 2 38 ILE MD . . 3.230 3.237 3.205 3.250 0.020 3 0 "[ . 1]" 1
560 1 31 ALA MB 2 38 ILE QG . . 4.510 4.408 4.372 4.505 . 0 0 "[ . 1]" 1
561 1 31 ALA MB 2 38 ILE MG . . 3.090 1.959 1.911 2.045 . 0 0 "[ . 1]" 1
562 1 32 GLU HA 1 35 ILE HB . . 3.290 2.555 2.314 2.791 . 0 0 "[ . 1]" 1
563 1 32 GLU HA 1 35 ILE H . . 3.620 3.052 2.879 3.215 . 0 0 "[ . 1]" 1
564 1 32 GLU HA 1 35 ILE MG . . 3.890 3.103 2.849 3.348 . 0 0 "[ . 1]" 1
565 1 32 GLU HA 2 35 ILE MD . . 3.170 2.246 2.176 2.303 . 0 0 "[ . 1]" 1
566 1 32 GLU HA 2 35 ILE QG . . 4.800 2.344 2.142 2.562 . 0 0 "[ . 1]" 1
567 1 32 GLU HA 2 35 ILE MG . . 5.020 3.339 2.973 3.635 . 0 0 "[ . 1]" 1
568 1 32 GLU HA 2 39 GLN QG . . 4.150 4.271 4.222 4.302 0.152 7 0 "[ . 1]" 1
569 1 32 GLU H 1 32 GLU HA . . 2.930 2.878 2.856 2.909 . 0 0 "[ . 1]" 1
570 1 32 GLU H 1 32 GLU QB . . 2.740 2.533 2.479 2.593 . 0 0 "[ . 1]" 1
571 1 32 GLU H 1 32 GLU QG . . 3.020 2.465 2.335 2.606 . 0 0 "[ . 1]" 1
572 1 32 GLU H 1 33 GLN H . . 2.930 2.756 2.719 2.794 . 0 0 "[ . 1]" 1
573 1 32 GLU H 1 34 ILE MD . . 5.500 5.417 5.268 5.498 . 0 0 "[ . 1]" 1
574 1 32 GLU H 2 9 THR MG . . 5.500 5.518 5.513 5.522 0.022 2 0 "[ . 1]" 1
575 1 32 GLU H 2 17 LEU QB . . 5.500 5.537 5.503 5.579 0.079 1 0 "[ . 1]" 1
576 1 32 GLU H 2 17 LEU MD1 . . 4.340 4.196 4.132 4.249 . 0 0 "[ . 1]" 1
577 1 32 GLU H 2 35 ILE MD . . 3.620 2.960 2.926 2.992 . 0 0 "[ . 1]" 1
578 1 32 GLU QB 1 35 ILE HB . . 4.950 3.930 3.543 4.237 . 0 0 "[ . 1]" 1
579 1 32 GLU QB 2 35 ILE MD . . 3.760 2.489 2.393 2.598 . 0 0 "[ . 1]" 1
580 1 32 GLU QB 2 35 ILE QG . . 5.500 3.482 3.172 3.866 . 0 0 "[ . 1]" 1
581 1 32 GLU QG 1 33 GLN HA . . 3.440 3.468 3.442 3.495 0.055 2 0 "[ . 1]" 1
582 1 32 GLU QG 1 33 GLN H . . 3.390 2.618 2.492 2.674 . 0 0 "[ . 1]" 1
583 1 32 GLU QG 1 33 GLN QB . . 3.620 3.488 3.424 3.695 0.075 10 0 "[ . 1]" 1
584 1 32 GLU QG 1 34 ILE H . . 4.700 4.746 4.723 4.765 0.065 3 0 "[ . 1]" 1
585 1 32 GLU QG 1 35 ILE HB . . 5.500 5.270 4.973 5.520 0.020 6 0 "[ . 1]" 1
586 1 32 GLU QG 1 35 ILE H . . 5.290 5.122 5.029 5.196 . 0 0 "[ . 1]" 1
587 1 32 GLU QG 1 36 SER QB . . 5.500 4.661 4.340 5.181 . 0 0 "[ . 1]" 1
588 1 32 GLU QG 2 35 ILE MD . . 4.060 4.079 4.050 4.097 0.037 5 0 "[ . 1]" 1
589 1 33 GLN HA 1 34 ILE QG . . 5.170 5.244 5.229 5.255 0.085 3 0 "[ . 1]" 1
590 1 33 GLN H 1 33 GLN HA . . 2.910 2.901 2.886 2.915 0.005 4 0 "[ . 1]" 1
591 1 33 GLN H 1 34 ILE H . . 2.900 2.623 2.595 2.690 . 0 0 "[ . 1]" 1
592 1 33 GLN H 1 34 ILE QG . . 4.280 4.263 4.138 4.295 0.015 5 0 "[ . 1]" 1
593 1 33 GLN H 1 35 ILE H . . 4.620 4.130 4.062 4.198 . 0 0 "[ . 1]" 1
594 1 33 GLN H 1 36 SER H . . 5.500 4.677 4.633 4.737 . 0 0 "[ . 1]" 1
595 1 33 GLN H 2 9 THR MG . . 4.810 4.536 4.430 4.724 . 0 0 "[ . 1]" 1
596 1 33 GLN QB 1 34 ILE MD . . 5.100 5.067 4.992 5.113 0.013 1 0 "[ . 1]" 1
597 1 33 GLN QB 1 34 ILE QG . . 4.050 3.706 3.621 3.805 . 0 0 "[ . 1]" 1
598 1 33 GLN QB 1 36 SER QB . . 4.950 4.182 4.001 4.246 . 0 0 "[ . 1]" 1
599 1 33 GLN QB 2 8 VAL HB . . 4.520 3.858 3.710 4.068 . 0 0 "[ . 1]" 1
600 1 33 GLN QG 2 8 VAL QG . . 3.830 2.348 2.101 3.208 . 0 0 "[ . 1]" 1
601 1 34 ILE HA 1 34 ILE MD . . 3.910 3.899 3.869 3.939 0.029 1 0 "[ . 1]" 1
602 1 34 ILE HA 1 34 ILE QG . . 3.460 2.492 2.444 2.600 . 0 0 "[ . 1]" 1
603 1 34 ILE HA 1 37 GLU H . . 3.220 3.120 3.037 3.163 . 0 0 "[ . 1]" 1
604 1 34 ILE HA 1 37 GLU QG . . 4.930 2.532 2.415 2.936 . 0 0 "[ . 1]" 1
605 1 34 ILE HA 1 38 ILE HB . . 5.500 5.257 5.057 5.509 0.009 6 0 "[ . 1]" 1
606 1 34 ILE HA 2 19 LEU HG . . 5.500 5.553 5.538 5.574 0.074 4 0 "[ . 1]" 1
607 1 34 ILE HB 1 34 ILE MD . . 3.710 2.359 2.321 2.382 . 0 0 "[ . 1]" 1
608 1 34 ILE HB 1 35 ILE HB . . 5.300 4.382 4.178 4.700 . 0 0 "[ . 1]" 1
609 1 34 ILE HB 1 35 ILE H . . 3.400 2.634 2.539 2.744 . 0 0 "[ . 1]" 1
610 1 34 ILE HB 1 38 ILE MD . . 4.820 3.660 3.426 3.858 . 0 0 "[ . 1]" 1
611 1 34 ILE H 1 34 ILE HB . . 2.750 2.746 2.695 2.794 0.044 1 0 "[ . 1]" 1
612 1 34 ILE H 1 34 ILE MG . . 3.910 3.883 3.854 3.907 . 0 0 "[ . 1]" 1
613 1 34 ILE H 1 35 ILE HB . . 4.800 4.735 4.661 4.809 0.009 5 0 "[ . 1]" 1
614 1 34 ILE H 1 35 ILE H . . 3.020 2.777 2.735 2.801 . 0 0 "[ . 1]" 1
615 1 34 ILE H 1 36 SER H . . 4.460 4.117 4.045 4.175 . 0 0 "[ . 1]" 1
616 1 34 ILE MD 1 37 GLU QG . . 5.500 5.327 5.143 5.519 0.019 4 0 "[ . 1]" 1
617 1 34 ILE MD 2 19 LEU HA . . 5.410 2.071 2.027 2.141 . 0 0 "[ . 1]" 1
618 1 34 ILE MD 2 19 LEU HB2 . . 3.800 2.914 2.862 2.989 . 0 0 "[ . 1]" 1
619 1 34 ILE MD 2 19 LEU HG . . 4.180 2.166 2.133 2.187 . 0 0 "[ . 1]" 1
620 1 34 ILE MD 2 20 ALA H . . 3.810 2.891 2.795 3.006 . 0 0 "[ . 1]" 1
621 1 34 ILE MD 2 20 ALA MB . . 3.890 3.546 3.408 3.636 . 0 0 "[ . 1]" 1
622 1 34 ILE QG 1 37 GLU QG . . 4.300 3.973 3.744 4.180 . 0 0 "[ . 1]" 1
623 1 34 ILE QG 2 19 LEU HA . . 4.420 4.159 4.110 4.273 . 0 0 "[ . 1]" 1
624 1 34 ILE QG 2 19 LEU HG . . 3.640 3.272 3.212 3.334 . 0 0 "[ . 1]" 1
625 1 34 ILE MG 1 35 ILE HA . . 4.770 3.538 3.411 3.782 . 0 0 "[ . 1]" 1
626 1 34 ILE MG 1 35 ILE QG . . 5.170 4.318 4.083 4.766 . 0 0 "[ . 1]" 1
627 1 34 ILE MG 1 37 GLU H . . 4.170 4.207 4.196 4.216 0.046 10 0 "[ . 1]" 1
628 1 34 ILE MG 1 37 GLU QB . . 3.770 3.011 2.918 3.088 . 0 0 "[ . 1]" 1
629 1 34 ILE MG 1 37 GLU QG . . 4.600 3.682 3.602 3.889 . 0 0 "[ . 1]" 1
630 1 34 ILE MG 1 38 ILE HB . . 3.740 3.525 3.348 3.709 . 0 0 "[ . 1]" 1
631 1 34 ILE MG 1 38 ILE H . . 3.240 3.312 3.291 3.336 0.096 6 0 "[ . 1]" 1
632 1 34 ILE MG 1 38 ILE QG . . 3.790 2.196 2.125 2.246 . 0 0 "[ . 1]" 1
633 1 34 ILE MG 2 20 ALA HA . . 5.340 4.814 4.664 5.069 . 0 0 "[ . 1]" 1
634 1 34 ILE MG 2 20 ALA MB . . 4.100 2.767 2.651 2.951 . 0 0 "[ . 1]" 1
635 1 35 ILE HA 1 35 ILE MD . . 3.390 2.129 2.039 2.234 . 0 0 "[ . 1]" 1
636 1 35 ILE HA 1 35 ILE QG . . 4.000 2.265 2.179 2.362 . 0 0 "[ . 1]" 1
637 1 35 ILE HA 1 36 SER HA . . 5.250 4.733 4.702 4.767 . 0 0 "[ . 1]" 1
638 1 35 ILE HA 1 37 GLU H . . 4.960 4.261 4.107 4.398 . 0 0 "[ . 1]" 1
639 1 35 ILE HA 1 38 ILE HB . . 3.970 2.146 2.043 2.278 . 0 0 "[ . 1]" 1
640 1 35 ILE HA 1 38 ILE H . . 3.890 3.067 2.928 3.262 . 0 0 "[ . 1]" 1
641 1 35 ILE HA 1 38 ILE MD . . 3.870 2.920 2.643 3.237 . 0 0 "[ . 1]" 1
642 1 35 ILE HA 1 39 GLN HB2 . . 4.850 4.888 4.872 4.902 0.052 6 0 "[ . 1]" 1
643 1 35 ILE HA 1 39 GLN H . . 4.170 3.420 3.339 3.484 . 0 0 "[ . 1]" 1
644 1 35 ILE HA 1 39 GLN QG . . 5.310 3.936 3.853 4.098 . 0 0 "[ . 1]" 1
645 1 35 ILE HB 1 35 ILE MD . . 3.570 3.289 3.265 3.321 . 0 0 "[ . 1]" 1
646 1 35 ILE HB 1 36 SER HA . . 5.500 5.452 5.274 5.557 0.057 4 0 "[ . 1]" 1
647 1 35 ILE HB 1 36 SER H . . 3.710 3.482 3.306 3.604 . 0 0 "[ . 1]" 1
648 1 35 ILE HB 1 36 SER QB . . 5.290 5.236 5.012 5.348 0.058 8 0 "[ . 1]" 1
649 1 35 ILE HB 1 38 ILE MD . . 5.190 4.677 4.217 5.192 0.002 8 0 "[ . 1]" 1
650 1 35 ILE HB 2 35 ILE QG . . 4.580 2.011 1.931 2.124 . 0 0 "[ . 1]" 1
651 1 35 ILE H 1 35 ILE HB . . 2.830 2.147 2.078 2.237 . 0 0 "[ . 1]" 1
652 1 35 ILE H 1 35 ILE QG . . 3.990 3.396 3.359 3.481 . 0 0 "[ . 1]" 1
653 1 35 ILE H 1 36 SER H . . 3.090 2.836 2.806 2.864 . 0 0 "[ . 1]" 1
654 1 35 ILE H 1 37 GLU H . . 4.310 4.303 4.238 4.337 0.027 5 0 "[ . 1]" 1
655 1 35 ILE H 2 35 ILE QG . . 3.610 3.258 2.982 3.475 . 0 0 "[ . 1]" 1
656 1 35 ILE MD 1 38 ILE HA . . 5.500 4.975 4.834 5.136 . 0 0 "[ . 1]" 1
657 1 35 ILE MD 1 38 ILE HB . . 3.120 2.550 2.406 2.732 . 0 0 "[ . 1]" 1
658 1 35 ILE MD 1 39 GLN HB2 . . 4.630 3.627 3.546 3.691 . 0 0 "[ . 1]" 1
659 1 35 ILE MD 1 39 GLN H . . 3.460 2.872 2.750 2.978 . 0 0 "[ . 1]" 1
660 1 35 ILE MD 1 39 GLN QG . . 3.650 1.950 1.903 1.984 . 0 0 "[ . 1]" 1
661 1 35 ILE MD 2 31 ALA MB . . 4.180 2.058 1.958 2.207 . 0 0 "[ . 1]" 1
662 1 35 ILE MD 2 32 GLU HA . . 3.170 2.254 2.162 2.339 . 0 0 "[ . 1]" 1
663 1 35 ILE MD 2 32 GLU H . . 3.620 2.955 2.908 2.985 . 0 0 "[ . 1]" 1
664 1 35 ILE MD 2 32 GLU QB . . 3.760 2.526 2.398 2.671 . 0 0 "[ . 1]" 1
665 1 35 ILE MD 2 32 GLU QG . . 4.060 4.089 4.068 4.119 0.059 6 0 "[ . 1]" 1
666 1 35 ILE QG 1 36 SER H . . 4.840 4.689 4.596 4.748 . 0 0 "[ . 1]" 1
667 1 35 ILE QG 1 38 ILE MD . . 4.270 3.134 2.634 3.760 . 0 0 "[ . 1]" 1
668 1 35 ILE QG 2 31 ALA MB . . 4.950 3.424 3.207 3.628 . 0 0 "[ . 1]" 1
669 1 35 ILE QG 2 32 GLU HA . . 4.800 2.414 2.208 2.560 . 0 0 "[ . 1]" 1
670 1 35 ILE QG 2 32 GLU QB . . 5.500 3.604 3.167 3.967 . 0 0 "[ . 1]" 1
671 1 35 ILE QG 2 35 ILE HB . . 4.580 2.038 1.942 2.128 . 0 0 "[ . 1]" 1
672 1 35 ILE QG 2 35 ILE H . . 3.610 3.188 2.971 3.436 . 0 0 "[ . 1]" 1
673 1 35 ILE MG 1 36 SER HA . . 4.010 3.340 3.157 3.498 . 0 0 "[ . 1]" 1
674 1 35 ILE MG 1 36 SER H . . 3.250 2.725 2.575 2.841 . 0 0 "[ . 1]" 1
675 1 35 ILE MG 1 36 SER QB . . 4.240 3.673 3.350 3.947 . 0 0 "[ . 1]" 1
676 1 35 ILE MG 1 39 GLN HB2 . . 4.180 3.715 3.519 3.947 . 0 0 "[ . 1]" 1
677 1 35 ILE MG 1 39 GLN QG . . 4.170 2.949 2.772 3.153 . 0 0 "[ . 1]" 1
678 1 35 ILE MG 2 32 GLU HA . . 5.020 3.274 2.976 3.619 . 0 0 "[ . 1]" 1
679 1 36 SER HA 1 36 SER QB . . 2.780 2.417 2.407 2.428 . 0 0 "[ . 1]" 1
680 1 36 SER HA 1 39 GLN HB2 . . 4.300 3.155 3.010 3.189 . 0 0 "[ . 1]" 1
681 1 36 SER HA 1 39 GLN H . . 4.100 3.899 3.838 3.950 . 0 0 "[ . 1]" 1
682 1 36 SER HA 1 39 GLN QG . . 5.040 4.523 4.425 4.593 . 0 0 "[ . 1]" 1
683 1 36 SER H 1 36 SER QB . . 2.700 2.310 2.295 2.357 . 0 0 "[ . 1]" 1
684 1 36 SER H 1 37 GLU H . . 3.020 2.749 2.683 2.778 . 0 0 "[ . 1]" 1
685 1 36 SER H 1 38 ILE H . . 4.140 4.228 4.216 4.242 0.102 2 0 "[ . 1]" 1
686 1 36 SER H 1 39 GLN H . . 4.920 4.860 4.839 4.888 . 0 0 "[ . 1]" 1
687 1 36 SER H 1 39 GLN QG . . 5.500 5.501 5.458 5.517 0.017 2 0 "[ . 1]" 1
688 1 36 SER QB 1 37 GLU QB . . 5.300 4.698 4.576 4.749 . 0 0 "[ . 1]" 1
689 1 36 SER QB 1 39 GLN HB2 . . 5.280 5.180 5.062 5.221 . 0 0 "[ . 1]" 1
690 1 37 GLU HA 1 37 GLU QG . . 3.430 3.180 2.945 3.237 . 0 0 "[ . 1]" 1
691 1 37 GLU HA 1 38 ILE HA . . 5.190 4.847 4.836 4.855 . 0 0 "[ . 1]" 1
692 1 37 GLU HA 1 40 ASN HB3 . . 4.940 2.761 2.232 4.084 . 0 0 "[ . 1]" 1
693 1 37 GLU HA 1 40 ASN H . . 3.760 3.664 3.480 3.770 0.010 10 0 "[ . 1]" 1
694 1 37 GLU HA 1 40 ASN QB . . 3.790 2.432 2.215 2.573 . 0 0 "[ . 1]" 1
695 1 37 GLU H 1 37 GLU QG . . 3.320 2.342 2.272 2.424 . 0 0 "[ . 1]" 1
696 1 37 GLU H 1 38 ILE HB . . 4.650 4.664 4.630 4.708 0.058 6 0 "[ . 1]" 1
697 1 37 GLU H 1 38 ILE H . . 3.180 2.794 2.769 2.822 . 0 0 "[ . 1]" 1
698 1 37 GLU H 1 40 ASN QB . . 5.170 4.546 4.400 4.724 . 0 0 "[ . 1]" 1
699 1 37 GLU QB 1 38 ILE HA . . 4.610 3.879 3.840 3.952 . 0 0 "[ . 1]" 1
700 1 37 GLU QB 1 38 ILE MD . . 4.720 4.456 4.365 4.532 . 0 0 "[ . 1]" 1
701 1 37 GLU QG 1 38 ILE H . . 4.410 4.032 3.987 4.157 . 0 0 "[ . 1]" 1
702 1 38 ILE HA 1 38 ILE MD . . 3.860 3.814 3.764 3.870 0.010 6 0 "[ . 1]" 1
703 1 38 ILE HA 1 38 ILE QG . . 3.860 2.268 2.199 2.374 . 0 0 "[ . 1]" 1
704 1 38 ILE HA 1 38 ILE MG . . 3.330 2.646 2.569 2.701 . 0 0 "[ . 1]" 1
705 1 38 ILE HA 1 39 GLN QG . . 5.500 5.433 5.366 5.489 . 0 0 "[ . 1]" 1
706 1 38 ILE HA 1 40 ASN H . . 4.660 4.402 4.315 4.457 . 0 0 "[ . 1]" 1
707 1 38 ILE HA 1 41 GLN HG3 . . 5.050 3.380 3.088 3.827 . 0 0 "[ . 1]" 1
708 1 38 ILE HA 1 41 GLN H . . 3.870 3.314 3.199 3.404 . 0 0 "[ . 1]" 1
709 1 38 ILE HA 1 42 LEU H . . 5.270 4.361 4.264 4.424 . 0 0 "[ . 1]" 1
710 1 38 ILE HA 2 31 ALA MB . . 5.360 5.186 5.123 5.324 . 0 0 "[ . 1]" 1
711 1 38 ILE HB 1 38 ILE MD . . 3.400 2.451 2.416 2.508 . 0 0 "[ . 1]" 1
712 1 38 ILE HB 1 39 GLN H . . 2.920 2.584 2.484 2.629 . 0 0 "[ . 1]" 1
713 1 38 ILE HB 1 39 GLN QG . . 5.260 3.914 3.788 4.037 . 0 0 "[ . 1]" 1
714 1 38 ILE HB 1 40 ASN H . . 4.850 4.892 4.817 4.919 0.069 8 0 "[ . 1]" 1
715 1 38 ILE HB 2 31 ALA MB . . 3.600 3.685 3.647 3.701 0.101 10 0 "[ . 1]" 1
716 1 38 ILE H 1 38 ILE HB . . 2.860 2.219 2.187 2.297 . 0 0 "[ . 1]" 1
717 1 38 ILE H 1 38 ILE MD . . 3.750 3.596 3.523 3.710 . 0 0 "[ . 1]" 1
718 1 38 ILE H 1 38 ILE QG . . 3.000 2.385 2.238 2.432 . 0 0 "[ . 1]" 1
719 1 38 ILE H 1 39 GLN H . . 3.110 2.897 2.875 2.930 . 0 0 "[ . 1]" 1
720 1 38 ILE H 1 40 ASN H . . 4.190 4.028 3.970 4.107 . 0 0 "[ . 1]" 1
721 1 38 ILE H 2 31 ALA MB . . 5.500 5.553 5.532 5.594 0.094 6 0 "[ . 1]" 1
722 1 38 ILE MD 2 31 ALA HA . . 4.770 4.782 4.728 4.799 0.029 4 0 "[ . 1]" 1
723 1 38 ILE MD 2 31 ALA MB . . 3.230 3.232 3.213 3.243 0.013 2 0 "[ . 1]" 1
724 1 38 ILE QG 1 41 GLN QG . . 4.950 4.475 4.137 4.963 0.013 4 0 "[ . 1]" 1
725 1 38 ILE QG 2 20 ALA MB . . 4.260 3.669 3.572 3.847 . 0 0 "[ . 1]" 1
726 1 38 ILE QG 2 31 ALA MB . . 4.510 4.385 4.338 4.518 0.008 6 0 "[ . 1]" 1
727 1 38 ILE MG 1 39 GLN HA . . 4.180 3.272 3.208 3.377 . 0 0 "[ . 1]" 1
728 1 38 ILE MG 1 39 GLN H . . 3.360 2.786 2.693 3.047 . 0 0 "[ . 1]" 1
729 1 38 ILE MG 1 40 ASN H . . 4.740 4.757 4.743 4.808 0.068 6 0 "[ . 1]" 1
730 1 38 ILE MG 1 41 GLN QG . . 5.340 5.033 4.759 5.352 0.012 4 0 "[ . 1]" 1
731 1 38 ILE MG 2 31 ALA HA . . 4.500 4.075 4.016 4.268 . 0 0 "[ . 1]" 1
732 1 38 ILE MG 2 31 ALA MB . . 3.090 1.970 1.941 2.104 . 0 0 "[ . 1]" 1
733 1 39 GLN HA 1 41 GLN H . . 4.400 4.238 4.148 4.366 . 0 0 "[ . 1]" 1
734 1 39 GLN HA 1 42 LEU HB2 . . 3.910 3.555 3.083 3.790 . 0 0 "[ . 1]" 1
735 1 39 GLN HA 1 42 LEU H . . 3.780 3.247 3.119 3.395 . 0 0 "[ . 1]" 1
736 1 39 GLN HA 1 43 GLN H . . 4.460 4.082 3.943 4.184 . 0 0 "[ . 1]" 1
737 1 39 GLN HB2 1 40 ASN H . . 3.230 2.893 2.821 2.933 . 0 0 "[ . 1]" 1
738 1 39 GLN H 1 39 GLN HB2 . . 3.000 2.381 2.348 2.410 . 0 0 "[ . 1]" 1
739 1 39 GLN H 1 39 GLN QG . . 3.040 2.660 2.486 2.769 . 0 0 "[ . 1]" 1
740 1 39 GLN H 1 40 ASN HA . . 5.500 5.356 5.328 5.398 . 0 0 "[ . 1]" 1
741 1 39 GLN H 1 40 ASN H . . 2.860 2.680 2.617 2.726 . 0 0 "[ . 1]" 1
742 1 39 GLN H 1 40 ASN QB . . 4.440 4.471 4.450 4.503 0.063 10 0 "[ . 1]" 1
743 1 39 GLN QG 1 40 ASN H . . 4.690 4.392 4.338 4.425 . 0 0 "[ . 1]" 1
744 1 39 GLN QG 1 42 LEU H . . 5.500 5.225 5.097 5.351 . 0 0 "[ . 1]" 1
745 1 39 GLN QG 2 32 GLU HA . . 4.150 4.275 4.236 4.318 0.168 5 0 "[ . 1]" 1
746 1 40 ASN HA 1 42 LEU H . . 4.940 4.488 4.373 4.614 . 0 0 "[ . 1]" 1
747 1 40 ASN HA 1 43 GLN H . . 3.990 3.183 3.008 3.349 . 0 0 "[ . 1]" 1
748 1 40 ASN H 1 40 ASN QB . . 2.790 2.252 2.150 2.286 . 0 0 "[ . 1]" 1
749 1 40 ASN H 1 41 GLN H . . 2.910 2.840 2.728 2.894 . 0 0 "[ . 1]" 1
750 1 40 ASN H 1 41 GLN QG . . 5.090 4.658 4.572 4.735 . 0 0 "[ . 1]" 1
751 1 40 ASN H 1 42 LEU H . . 4.510 4.314 4.227 4.432 . 0 0 "[ . 1]" 1
752 1 40 ASN QB 1 41 GLN QG . . 4.380 3.725 3.445 4.095 . 0 0 "[ . 1]" 1
753 1 41 GLN HA 1 41 GLN HG3 . . 4.050 3.332 2.830 3.754 . 0 0 "[ . 1]" 1
754 1 41 GLN HA 1 41 GLN QG . . 3.350 2.431 2.274 2.758 . 0 0 "[ . 1]" 1
755 1 41 GLN HA 1 45 LEU H . . 5.330 4.372 3.772 5.348 0.018 1 0 "[ . 1]" 1
756 1 41 GLN HA 1 45 LEU QB . . 5.500 4.570 2.614 5.515 0.015 9 0 "[ . 1]" 1
757 1 41 GLN HG3 1 42 LEU H . . 5.500 4.728 4.492 5.057 . 0 0 "[ . 1]" 1
758 1 41 GLN H 1 41 GLN HG3 . . 3.430 2.860 2.276 3.494 0.064 7 0 "[ . 1]" 1
759 1 41 GLN H 1 41 GLN QG . . 2.990 2.466 2.251 2.695 . 0 0 "[ . 1]" 1
760 1 41 GLN H 1 42 LEU HB2 . . 4.930 4.994 4.792 5.036 0.106 1 0 "[ . 1]" 1
761 1 41 GLN H 1 42 LEU H . . 3.030 2.673 2.572 2.804 . 0 0 "[ . 1]" 1
762 1 41 GLN H 1 43 GLN H . . 4.040 4.011 3.947 4.068 0.028 4 0 "[ . 1]" 1
763 1 41 GLN QG 1 42 LEU H . . 4.770 4.261 4.181 4.367 . 0 0 "[ . 1]" 1
764 1 42 LEU HA 1 42 LEU HG . . 3.900 2.806 2.370 3.772 . 0 0 "[ . 1]" 1
765 1 42 LEU HA 1 42 LEU MD1 . . 4.090 3.363 2.947 3.581 . 0 0 "[ . 1]" 1
766 1 42 LEU HA 1 42 LEU MD2 . . 4.090 3.027 2.150 3.429 . 0 0 "[ . 1]" 1
767 1 42 LEU HA 1 42 LEU QD . . 3.090 2.788 2.106 3.079 . 0 0 "[ . 1]" 1
768 1 42 LEU HA 1 43 GLN H . . 3.540 3.529 3.485 3.597 0.057 10 0 "[ . 1]" 1
769 1 42 LEU HB2 1 43 GLN H . . 4.100 3.952 3.854 4.076 . 0 0 "[ . 1]" 1
770 1 42 LEU HG 2 27 SER HA . . 5.500 4.807 3.485 5.420 . 0 0 "[ . 1]" 1
771 1 42 LEU H 1 42 LEU HB2 . . 2.720 2.421 2.229 2.535 . 0 0 "[ . 1]" 1
772 1 42 LEU H 1 43 GLN H . . 3.260 2.716 2.662 2.797 . 0 0 "[ . 1]" 1
773 1 42 LEU MD1 2 28 LYS HA . . 4.470 3.164 2.612 4.060 . 0 0 "[ . 1]" 1
774 1 42 LEU MD2 2 28 LYS HA . . 4.470 4.009 3.701 4.486 0.016 8 0 "[ . 1]" 1
775 1 42 LEU QD 1 43 GLN HA . . 3.680 3.059 2.695 3.777 0.097 9 0 "[ . 1]" 1
776 1 42 LEU QD 1 43 GLN H . . 4.010 3.550 3.166 3.931 . 0 0 "[ . 1]" 1
777 1 42 LEU QD 2 27 SER HB2 . . 4.470 4.042 3.867 4.528 0.058 9 0 "[ . 1]" 1
778 1 42 LEU QD 2 28 LYS HA . . 3.780 3.034 2.566 3.772 . 0 0 "[ . 1]" 1
779 1 42 LEU QD 2 28 LYS QB . . 3.620 2.087 1.991 2.211 . 0 0 "[ . 1]" 1
780 1 42 LEU QD 2 28 LYS QE . . 4.450 2.824 2.035 3.812 . 0 0 "[ . 1]" 1
781 1 44 ASN HB3 1 45 LEU H . . 4.840 3.975 2.770 4.509 . 0 0 "[ . 1]" 1
782 1 44 ASN QB 1 45 LEU H . . 4.260 3.582 2.725 4.038 . 0 0 "[ . 1]" 1
783 1 45 LEU H 1 45 LEU QB . . 2.990 2.421 2.208 2.717 . 0 0 "[ . 1]" 1
784 1 45 LEU H 1 45 LEU QD . . 4.290 3.581 3.124 4.072 . 0 0 "[ . 1]" 1
785 1 45 LEU QB 1 46 LYS H . . 4.060 3.431 2.233 4.053 . 0 0 "[ . 1]" 1
786 1 45 LEU QD 1 46 LYS H . . 4.840 3.857 2.822 4.435 . 0 0 "[ . 1]" 1
787 1 46 LYS H 1 46 LYS QE . . 5.500 4.941 4.580 5.521 0.021 7 0 "[ . 1]" 1
788 2 3 CYS HA 2 3 CYS QB . . 2.770 2.351 2.186 2.426 . 0 0 "[ . 1]" 1
789 2 3 CYS QB 2 4 MET HB3 . . 5.500 5.658 5.141 6.393 0.893 2 3 "[-+ . *1]" 1
790 2 3 CYS QB 2 5 THR H . . 4.950 4.689 4.381 4.933 . 0 0 "[ . 1]" 1
791 2 3 CYS QB 2 5 THR MG . . 4.290 4.235 4.102 4.304 0.014 7 0 "[ . 1]" 1
792 2 3 CYS QB 2 12 VAL HB . . 5.500 4.831 4.107 5.506 0.006 7 0 "[ . 1]" 1
793 2 3 CYS QB 2 12 VAL QG . . 4.360 3.344 2.477 4.460 0.100 7 0 "[ . 1]" 1
794 2 4 MET HA 2 4 MET QG . . 4.000 2.181 2.124 2.241 . 0 0 "[ . 1]" 1
795 2 4 MET HA 2 5 THR H . . 3.250 2.105 2.074 2.126 . 0 0 "[ . 1]" 1
796 2 4 MET HA 2 5 THR MG . . 3.970 3.936 3.753 3.990 0.020 8 0 "[ . 1]" 1
797 2 4 MET HB3 2 5 THR H . . 4.660 3.879 3.441 3.984 . 0 0 "[ . 1]" 1
798 2 4 MET QG 2 5 THR H . . 4.660 3.927 3.752 4.016 . 0 0 "[ . 1]" 1
799 2 4 MET QG 2 12 VAL QG . . 5.440 5.264 4.947 5.402 . 0 0 "[ . 1]" 1
800 2 5 THR HA 2 6 CYS HA . . 4.470 4.344 4.304 4.433 . 0 0 "[ . 1]" 1
801 2 5 THR HA 2 12 VAL H . . 5.250 4.676 4.556 4.759 . 0 0 "[ . 1]" 1
802 2 5 THR HB 2 6 CYS H . . 4.270 3.957 3.869 4.013 . 0 0 "[ . 1]" 1
803 2 5 THR HB 2 12 VAL HA . . 4.550 4.256 4.156 4.447 . 0 0 "[ . 1]" 1
804 2 5 THR HB 2 12 VAL H . . 5.500 5.530 5.506 5.585 0.085 4 0 "[ . 1]" 1
805 2 5 THR HB 2 12 VAL MG1 . . 4.500 3.904 3.690 4.276 . 0 0 "[ . 1]" 1
806 2 5 THR HB 2 12 VAL MG2 . . 4.500 3.406 2.011 4.059 . 0 0 "[ . 1]" 1
807 2 5 THR HB 2 12 VAL QG . . 3.400 3.108 2.007 3.639 0.239 7 0 "[ . 1]" 1
808 2 5 THR H 2 5 THR HB . . 3.080 3.080 2.979 3.182 0.102 7 0 "[ . 1]" 1
809 2 5 THR H 2 12 VAL HA . . 5.330 5.257 5.153 5.336 0.006 9 0 "[ . 1]" 1
810 2 5 THR H 2 12 VAL QG . . 3.680 4.429 3.529 4.840 1.160 8 8 "[*** * *+*-]" 1
811 2 5 THR MG 2 7 GLN H . . 4.660 4.469 4.096 4.643 . 0 0 "[ . 1]" 1
812 2 5 THR MG 2 7 GLN QB . . 4.360 4.398 4.382 4.464 0.104 7 0 "[ . 1]" 1
813 2 6 CYS HA 2 7 GLN H . . 2.630 2.187 2.168 2.216 . 0 0 "[ . 1]" 1
814 2 6 CYS HA 2 10 GLY H . . 4.160 4.232 4.221 4.244 0.084 9 0 "[ . 1]" 1
815 2 6 CYS HA 2 11 GLU H . . 5.000 5.024 5.015 5.035 0.035 2 0 "[ . 1]" 1
816 2 6 CYS HB2 2 7 GLN H . . 4.570 4.464 4.431 4.499 . 0 0 "[ . 1]" 1
817 2 6 CYS HB2 2 8 VAL H . . 5.110 4.603 4.558 4.629 . 0 0 "[ . 1]" 1
818 2 6 CYS HB2 2 9 THR H . . 4.890 4.169 4.133 4.218 . 0 0 "[ . 1]" 1
819 2 6 CYS HB2 2 10 GLY H . . 3.740 3.620 3.595 3.652 . 0 0 "[ . 1]" 1
820 2 6 CYS HB2 2 11 GLU H . . 3.430 3.256 3.240 3.278 . 0 0 "[ . 1]" 1
821 2 6 CYS H 2 6 CYS HB2 . . 3.200 2.461 2.415 2.571 . 0 0 "[ . 1]" 1
822 2 6 CYS H 2 7 GLN H . . 4.590 4.575 4.532 4.598 0.008 9 0 "[ . 1]" 1
823 2 6 CYS H 2 9 THR H . . 5.180 5.194 5.177 5.209 0.029 4 0 "[ . 1]" 1
824 2 6 CYS H 2 10 GLY H . . 4.180 3.930 3.893 3.969 . 0 0 "[ . 1]" 1
825 2 6 CYS H 2 11 GLU H . . 3.960 3.598 3.570 3.668 . 0 0 "[ . 1]" 1
826 2 6 CYS H 2 11 GLU QB . . 4.590 4.098 3.987 4.151 . 0 0 "[ . 1]" 1
827 2 6 CYS H 2 11 GLU QG . . 5.500 5.513 5.433 5.533 0.033 10 0 "[ . 1]" 1
828 2 6 CYS H 2 12 VAL HA . . 3.750 3.385 3.307 3.474 . 0 0 "[ . 1]" 1
829 2 6 CYS H 2 12 VAL HB . . 5.100 4.359 4.027 5.313 0.213 6 0 "[ . 1]" 1
830 2 6 CYS H 2 12 VAL QG . . 3.270 4.196 3.214 4.520 1.250 8 8 "[*** * *+*-]" 1
831 2 6 CYS H 2 13 SER H . . 4.920 4.975 4.930 5.006 0.086 3 0 "[ . 1]" 1
832 2 7 GLN HA 2 7 GLN QG . . 3.460 2.932 2.283 3.108 . 0 0 "[ . 1]" 1
833 2 7 GLN HA 2 10 GLY H . . 4.530 4.441 4.363 4.539 0.009 4 0 "[ . 1]" 1
834 2 7 GLN H 2 7 GLN QB . . 3.250 2.261 2.204 2.583 . 0 0 "[ . 1]" 1
835 2 7 GLN H 2 8 VAL H . . 3.650 2.665 2.616 2.745 . 0 0 "[ . 1]" 1
836 2 7 GLN H 2 8 VAL QG . . 4.050 3.836 3.746 3.958 . 0 0 "[ . 1]" 1
837 2 7 GLN H 2 9 THR H . . 5.110 4.330 4.284 4.397 . 0 0 "[ . 1]" 1
838 2 7 GLN H 2 10 GLY H . . 5.180 4.738 4.708 4.778 . 0 0 "[ . 1]" 1
839 2 7 GLN QB 2 8 VAL H . . 4.110 3.227 3.108 3.317 . 0 0 "[ . 1]" 1
840 2 7 GLN QB 2 8 VAL QG . . 3.650 3.129 2.964 3.257 . 0 0 "[ . 1]" 1
841 2 8 VAL HA 2 8 VAL MG1 . . 3.460 2.467 2.441 2.499 . 0 0 "[ . 1]" 1
842 2 8 VAL HA 2 8 VAL MG2 . . 3.460 2.344 2.307 2.360 . 0 0 "[ . 1]" 1
843 2 8 VAL HA 2 8 VAL QG . . 2.980 2.138 2.129 2.147 . 0 0 "[ . 1]" 1
844 2 8 VAL H 2 8 VAL QG . . 3.250 2.451 2.413 2.512 . 0 0 "[ . 1]" 1
845 2 8 VAL H 2 9 THR HA . . 5.270 5.126 5.104 5.150 . 0 0 "[ . 1]" 1
846 2 8 VAL H 2 9 THR H . . 3.180 2.313 2.277 2.347 . 0 0 "[ . 1]" 1
847 2 8 VAL H 2 9 THR MG . . 4.210 3.991 3.945 4.034 . 0 0 "[ . 1]" 1
848 2 8 VAL H 2 10 GLY H . . 3.800 3.718 3.659 3.767 . 0 0 "[ . 1]" 1
849 2 8 VAL QG 2 9 THR H . . 3.910 3.521 3.502 3.563 . 0 0 "[ . 1]" 1
850 2 8 VAL QG 2 9 THR MG . . 3.940 2.574 2.446 2.662 . 0 0 "[ . 1]" 1
851 2 8 VAL QG 2 10 GLY H . . 5.020 4.900 4.848 4.925 . 0 0 "[ . 1]" 1
852 2 9 THR HA 2 9 THR HB . . 2.970 2.372 2.363 2.382 . 0 0 "[ . 1]" 1
853 2 9 THR HA 2 9 THR MG . . 3.360 2.492 2.482 2.505 . 0 0 "[ . 1]" 1
854 2 9 THR HB 2 11 GLU H . . 4.000 3.576 3.533 3.638 . 0 0 "[ . 1]" 1
855 2 9 THR HB 2 11 GLU QB . . 4.760 4.037 3.978 4.098 . 0 0 "[ . 1]" 1
856 2 9 THR HB 2 11 GLU QG . . 4.860 3.346 2.992 3.637 . 0 0 "[ . 1]" 1
857 2 9 THR H 2 9 THR MG . . 3.470 2.826 2.788 2.870 . 0 0 "[ . 1]" 1
858 2 9 THR H 2 10 GLY HA3 . . 5.070 4.654 4.626 4.674 . 0 0 "[ . 1]" 1
859 2 9 THR H 2 10 GLY H . . 3.060 1.945 1.887 1.995 . 0 0 "[ . 1]" 1
860 2 9 THR H 2 11 GLU H . . 4.260 3.903 3.860 3.963 . 0 0 "[ . 1]" 1
861 2 9 THR MG 2 10 GLY H . . 4.230 3.822 3.790 3.836 . 0 0 "[ . 1]" 1
862 2 9 THR MG 2 11 GLU H . . 4.210 4.174 4.127 4.199 . 0 0 "[ . 1]" 1
863 2 9 THR MG 2 11 GLU QB . . 4.150 4.154 4.148 4.161 0.011 7 0 "[ . 1]" 1
864 2 10 GLY H 2 10 GLY HA3 . . 2.900 3.008 3.002 3.018 0.118 7 0 "[ . 1]" 1
865 2 10 GLY H 2 11 GLU H . . 3.340 2.362 2.296 2.415 . 0 0 "[ . 1]" 1
866 2 10 GLY H 2 11 GLU QB . . 4.280 4.237 4.144 4.280 0.000 5 0 "[ . 1]" 1
867 2 11 GLU HA 2 12 VAL H . . 2.540 2.133 2.101 2.173 . 0 0 "[ . 1]" 1
868 2 11 GLU HA 2 12 VAL QG . . 3.870 3.407 3.205 3.714 . 0 0 "[ . 1]" 1
869 2 11 GLU H 2 11 GLU QB . . 2.780 2.229 2.176 2.317 . 0 0 "[ . 1]" 1
870 2 11 GLU H 2 11 GLU QG . . 4.060 2.636 2.482 2.731 . 0 0 "[ . 1]" 1
871 2 11 GLU H 2 12 VAL H . . 4.630 4.576 4.551 4.606 . 0 0 "[ . 1]" 1
872 2 11 GLU H 2 12 VAL QG . . 5.090 5.237 4.832 5.489 0.399 8 0 "[ . 1]" 1
873 2 11 GLU QB 2 12 VAL H . . 3.060 2.783 2.643 2.866 . 0 0 "[ . 1]" 1
874 2 11 GLU QB 2 13 SER H . . 5.170 4.944 4.692 5.089 . 0 0 "[ . 1]" 1
875 2 11 GLU QG 2 12 VAL H . . 4.120 4.108 3.815 4.195 0.075 5 0 "[ . 1]" 1
876 2 12 VAL HA 2 12 VAL MG1 . . 3.620 3.123 2.629 3.258 . 0 0 "[ . 1]" 1
877 2 12 VAL HA 2 12 VAL MG2 . . 3.620 2.499 2.430 2.540 . 0 0 "[ . 1]" 1
878 2 12 VAL HA 2 12 VAL QG . . 3.010 2.396 2.242 2.453 . 0 0 "[ . 1]" 1
879 2 12 VAL HA 2 13 SER H . . 2.730 2.132 2.094 2.228 . 0 0 "[ . 1]" 1
880 2 12 VAL HB 2 13 SER H . . 4.590 4.158 4.024 4.443 . 0 0 "[ . 1]" 1
881 2 12 VAL H 2 12 VAL HB . . 3.460 3.205 2.383 3.456 . 0 0 "[ . 1]" 1
882 2 12 VAL H 2 12 VAL MG1 . . 3.880 2.567 2.231 3.777 . 0 0 "[ . 1]" 1
883 2 12 VAL H 2 12 VAL MG2 . . 3.880 3.713 3.028 3.892 0.012 7 0 "[ . 1]" 1
884 2 12 VAL H 2 12 VAL QG . . 3.050 2.386 2.218 2.941 . 0 0 "[ . 1]" 1
885 2 12 VAL H 2 13 SER H . . 4.820 4.338 4.191 4.418 . 0 0 "[ . 1]" 1
886 2 12 VAL MG1 2 13 SER H . . 4.610 4.080 3.043 4.439 . 0 0 "[ . 1]" 1
887 2 12 VAL MG2 2 13 SER H . . 4.610 3.055 2.594 4.090 . 0 0 "[ . 1]" 1
888 2 12 VAL QG 2 13 SER HA . . 4.080 3.367 3.176 3.637 . 0 0 "[ . 1]" 1
889 2 12 VAL QG 2 13 SER H . . 3.260 2.805 2.573 3.033 . 0 0 "[ . 1]" 1
890 2 12 VAL QG 2 13 SER QB . . 5.020 4.334 4.101 4.475 . 0 0 "[ . 1]" 1
891 2 13 SER HA 2 42 LEU QD . . 4.410 4.142 3.474 4.380 . 0 0 "[ . 1]" 1
892 2 13 SER HB3 2 15 ASP H . . 4.360 3.189 2.578 4.344 . 0 0 "[ . 1]" 1
893 2 13 SER H 2 13 SER HB3 . . 3.840 3.610 2.735 3.878 0.038 7 0 "[ . 1]" 1
894 2 13 SER H 2 13 SER QB . . 3.270 2.745 2.589 3.079 . 0 0 "[ . 1]" 1
895 2 13 SER H 2 15 ASP H . . 5.250 5.168 4.947 5.288 0.038 8 0 "[ . 1]" 1
896 2 13 SER H 2 42 LEU QD . . 4.280 4.250 4.043 4.401 0.121 6 0 "[ . 1]" 1
897 2 13 SER QB 2 15 ASP H . . 3.570 2.747 2.508 3.185 . 0 0 "[ . 1]" 1
898 2 13 SER QB 2 15 ASP QB . . 5.180 3.497 3.066 4.524 . 0 0 "[ . 1]" 1
899 2 13 SER QB 2 42 LEU HG . . 5.340 3.296 2.707 4.242 . 0 0 "[ . 1]" 1
900 2 13 SER QB 2 42 LEU QD . . 4.550 2.114 1.763 2.338 . 0 0 "[ . 1]" 1
901 2 14 ASP HA 2 15 ASP H . . 3.480 3.482 3.414 3.508 0.028 4 0 "[ . 1]" 1
902 2 15 ASP H 2 15 ASP HB3 . . 3.520 3.502 2.738 3.614 0.094 2 0 "[ . 1]" 1
903 2 15 ASP H 2 15 ASP QB . . 2.880 2.501 2.447 2.553 . 0 0 "[ . 1]" 1
904 2 15 ASP QB 2 42 LEU H . . 4.750 4.525 4.201 4.764 0.014 10 0 "[ . 1]" 1
905 2 17 LEU HA 2 17 LEU HG . . 4.110 3.254 3.196 3.353 . 0 0 "[ . 1]" 1
906 2 17 LEU HA 2 17 LEU MD2 . . 3.230 2.214 2.160 2.285 . 0 0 "[ . 1]" 1
907 2 17 LEU HA 2 18 LYS H . . 2.970 2.376 2.342 2.461 . 0 0 "[ . 1]" 1
908 2 17 LEU HG 2 39 GLN QG . . 5.500 5.474 5.368 5.512 0.012 6 0 "[ . 1]" 1
909 2 17 LEU HG 2 42 LEU QD . . 3.190 2.132 2.073 2.216 . 0 0 "[ . 1]" 1
910 2 17 LEU H 2 17 LEU HG . . 3.040 2.183 2.127 2.218 . 0 0 "[ . 1]" 1
911 2 17 LEU H 2 17 LEU QB . . 3.560 2.459 2.406 2.541 . 0 0 "[ . 1]" 1
912 2 17 LEU H 2 17 LEU MD1 . . 3.880 3.601 3.530 3.679 . 0 0 "[ . 1]" 1
913 2 17 LEU H 2 17 LEU MD2 . . 4.000 3.184 3.026 3.290 . 0 0 "[ . 1]" 1
914 2 17 LEU H 2 18 LYS H . . 4.590 4.617 4.587 4.655 0.065 8 0 "[ . 1]" 1
915 2 17 LEU QB 2 18 LYS H . . 4.380 2.607 2.509 2.683 . 0 0 "[ . 1]" 1
916 2 17 LEU QB 2 38 ILE HB . . 5.140 5.096 4.986 5.156 0.016 2 0 "[ . 1]" 1
917 2 17 LEU QB 2 38 ILE MG . . 4.830 2.389 2.258 2.463 . 0 0 "[ . 1]" 1
918 2 17 LEU QB 2 42 LEU HB2 . . 4.700 4.425 4.313 4.539 . 0 0 "[ . 1]" 1
919 2 17 LEU MD1 2 38 ILE HA . . 4.830 4.335 4.097 4.541 . 0 0 "[ . 1]" 1
920 2 17 LEU MD1 2 38 ILE QG . . 5.310 4.545 4.456 4.778 . 0 0 "[ . 1]" 1
921 2 17 LEU MD1 2 39 GLN HA . . 3.870 2.535 2.437 2.597 . 0 0 "[ . 1]" 1
922 2 17 LEU MD1 2 39 GLN HB2 . . 5.500 4.789 4.659 4.862 . 0 0 "[ . 1]" 1
923 2 17 LEU MD1 2 39 GLN QG . . 4.210 2.845 2.773 2.896 . 0 0 "[ . 1]" 1
924 2 17 LEU MD1 2 42 LEU HB2 . . 4.160 2.293 2.069 2.459 . 0 0 "[ . 1]" 1
925 2 17 LEU MD1 2 42 LEU HG . . 4.360 3.569 2.353 4.375 0.015 2 0 "[ . 1]" 1
926 2 17 LEU MD1 2 42 LEU QD . . 2.640 2.510 2.118 3.068 0.428 10 0 "[ . 1]" 1
927 2 17 LEU MD2 2 18 LYS H . . 4.250 3.577 3.454 3.750 . 0 0 "[ . 1]" 1
928 2 17 LEU MD2 2 38 ILE HA . . 4.940 3.234 3.147 3.349 . 0 0 "[ . 1]" 1
929 2 17 LEU MD2 2 38 ILE QG . . 4.110 3.604 3.490 3.801 . 0 0 "[ . 1]" 1
930 2 17 LEU MD2 2 40 ASN H . . 5.390 5.177 5.117 5.228 . 0 0 "[ . 1]" 1
931 2 17 LEU MD2 2 41 GLN H . . 3.990 3.946 3.804 4.078 0.088 8 0 "[ . 1]" 1
932 2 17 LEU MD2 2 41 GLN QG . . 4.920 4.216 2.503 4.791 . 0 0 "[ . 1]" 1
933 2 17 LEU MD2 2 42 LEU HB2 . . 3.440 2.031 1.999 2.058 . 0 0 "[ . 1]" 1
934 2 17 LEU MD2 2 42 LEU HG . . 4.880 3.902 3.421 4.116 . 0 0 "[ . 1]" 1
935 2 17 LEU MD2 2 42 LEU H . . 3.130 2.444 2.222 2.701 . 0 0 "[ . 1]" 1
936 2 18 LYS HA 2 18 LYS QD . . 4.770 3.943 3.413 4.181 . 0 0 "[ . 1]" 1
937 2 18 LYS HA 2 19 LEU H . . 2.700 2.182 2.142 2.210 . 0 0 "[ . 1]" 1
938 2 18 LYS H 2 18 LYS HB2 . . 3.400 2.885 2.838 2.929 . 0 0 "[ . 1]" 1
939 2 18 LYS H 2 18 LYS QE . . 5.500 5.240 4.386 5.535 0.035 10 0 "[ . 1]" 1
940 2 18 LYS H 2 18 LYS QG . . 4.650 3.133 2.878 3.892 . 0 0 "[ . 1]" 1
941 2 18 LYS H 2 19 LEU H . . 4.700 4.471 4.435 4.518 . 0 0 "[ . 1]" 1
942 2 18 LYS QE 2 18 LYS QG . . 3.420 2.212 2.099 2.328 . 0 0 "[ . 1]" 1
943 2 19 LEU HA 2 19 LEU MD1 . . 3.720 3.430 3.327 3.490 . 0 0 "[ . 1]" 1
944 2 19 LEU HA 2 20 ALA HA . . 5.290 4.138 4.096 4.164 . 0 0 "[ . 1]" 1
945 2 19 LEU HA 2 20 ALA H . . 3.220 2.471 2.438 2.531 . 0 0 "[ . 1]" 1
946 2 19 LEU HA 2 20 ALA MB . . 5.500 3.884 3.817 3.957 . 0 0 "[ . 1]" 1
947 2 19 LEU HB2 2 20 ALA H . . 3.880 3.922 3.908 3.949 0.069 8 0 "[ . 1]" 1
948 2 19 LEU HG 2 20 ALA HA . . 5.270 4.949 4.883 5.033 . 0 0 "[ . 1]" 1
949 2 19 LEU H 2 19 LEU HB2 . . 3.100 2.244 2.226 2.281 . 0 0 "[ . 1]" 1
950 2 19 LEU H 2 19 LEU MD1 . . 4.030 4.044 4.038 4.055 0.025 1 0 "[ . 1]" 1
951 2 19 LEU H 2 20 ALA H . . 4.630 4.666 4.658 4.674 0.044 4 0 "[ . 1]" 1
952 2 19 LEU MD2 2 20 ALA H . . 3.670 2.211 2.183 2.235 . 0 0 "[ . 1]" 1
953 2 19 LEU MD2 2 20 ALA MB . . 3.910 3.298 3.178 3.463 . 0 0 "[ . 1]" 1
954 2 20 ALA H 2 20 ALA MB . . 3.280 2.287 2.257 2.330 . 0 0 "[ . 1]" 1
955 2 20 ALA H 2 21 GLY H . . 5.030 4.670 4.651 4.692 . 0 0 "[ . 1]" 1
956 2 20 ALA MB 2 21 GLY H . . 5.500 2.835 2.542 3.078 . 0 0 "[ . 1]" 1
957 2 20 ALA MB 2 22 GLY HA3 . . 5.800 5.125 5.071 5.249 . 0 0 "[ . 1]" 1
958 2 20 ALA MB 2 22 GLY H . . 4.630 3.846 3.641 4.017 . 0 0 "[ . 1]" 1
959 2 20 ALA MB 2 23 LYS H . . 5.500 5.432 5.211 5.510 0.010 8 0 "[ . 1]" 1
960 2 21 GLY H 2 22 GLY H . . 4.880 2.118 1.846 2.386 . 0 0 "[ . 1]" 1
961 2 22 GLY H 2 23 LYS H . . 3.360 2.490 2.183 2.794 . 0 0 "[ . 1]" 1
962 2 22 GLY H 2 23 LYS QB . . 4.990 4.438 3.308 4.805 . 0 0 "[ . 1]" 1
963 2 22 GLY H 2 23 LYS QG . . 5.300 3.439 2.949 5.337 0.037 6 0 "[ . 1]" 1
964 2 22 GLY H 2 24 LEU H . . 4.960 4.879 4.731 4.981 0.021 1 0 "[ . 1]" 1
965 2 23 LYS H 2 23 LYS QB . . 3.890 2.497 2.222 2.571 . 0 0 "[ . 1]" 1
966 2 23 LYS H 2 24 LEU H . . 2.940 2.581 2.487 2.626 . 0 0 "[ . 1]" 1
967 2 23 LYS QB 2 23 LYS QE . . 4.420 2.707 2.105 3.652 . 0 0 "[ . 1]" 1
968 2 24 LEU HA 2 24 LEU HG . . 4.010 3.120 3.085 3.174 . 0 0 "[ . 1]" 1
969 2 24 LEU HA 2 24 LEU QD . . 3.540 2.110 2.093 2.129 . 0 0 "[ . 1]" 1
970 2 24 LEU HA 2 25 VAL H . . 2.840 2.423 2.367 2.470 . 0 0 "[ . 1]" 1
971 2 24 LEU HG 2 25 VAL H . . 4.160 2.262 2.181 2.384 . 0 0 "[ . 1]" 1
972 2 24 LEU H 2 24 LEU HB3 . . 3.320 3.012 2.952 3.060 . 0 0 "[ . 1]" 1
973 2 24 LEU H 2 25 VAL HA . . 5.010 4.672 4.618 4.725 . 0 0 "[ . 1]" 1
974 2 24 LEU H 2 25 VAL H . . 4.600 4.395 4.375 4.410 . 0 0 "[ . 1]" 1
975 2 24 LEU QD 2 25 VAL H . . 2.910 2.304 2.196 2.364 . 0 0 "[ . 1]" 1
976 2 24 LEU QD 2 26 LEU H . . 4.310 5.557 5.456 5.650 1.340 5 10 [-***+*****] 1
977 2 24 LEU QD 2 26 LEU QD . . 2.810 3.213 2.875 3.440 0.630 5 4 "[ -+ **]" 1
978 2 25 VAL HA 2 25 VAL MG2 . . 3.170 2.284 2.250 2.315 . 0 0 "[ . 1]" 1
979 2 25 VAL HA 2 26 LEU HA . . 5.500 4.439 4.421 4.453 . 0 0 "[ . 1]" 1
980 2 25 VAL HA 2 26 LEU H . . 2.680 1.982 1.955 2.011 . 0 0 "[ . 1]" 1
981 2 25 VAL HB 2 26 LEU H . . 4.470 4.113 4.059 4.145 . 0 0 "[ . 1]" 1
982 2 25 VAL H 2 25 VAL HB . . 3.110 2.445 2.401 2.480 . 0 0 "[ . 1]" 1
983 2 25 VAL H 2 25 VAL MG1 . . 4.230 3.808 3.779 3.834 . 0 0 "[ . 1]" 1
984 2 25 VAL H 2 26 LEU H . . 4.520 4.471 4.447 4.493 . 0 0 "[ . 1]" 1
985 2 25 VAL H 2 26 LEU QD . . 4.480 3.748 3.696 3.814 . 0 0 "[ . 1]" 1
986 2 25 VAL MG1 2 26 LEU HA . . 5.320 3.415 3.346 3.496 . 0 0 "[ . 1]" 1
987 2 25 VAL MG1 2 26 LEU H . . 3.150 2.424 2.329 2.460 . 0 0 "[ . 1]" 1
988 2 26 LEU HA 2 26 LEU HG . . 3.890 2.259 2.225 2.287 . 0 0 "[ . 1]" 1
989 2 26 LEU HA 2 27 SER HA . . 5.500 4.522 4.514 4.547 . 0 0 "[ . 1]" 1
990 2 26 LEU HA 2 27 SER H . . 3.170 2.443 2.417 2.489 . 0 0 "[ . 1]" 1
991 2 26 LEU HA 2 31 ALA H . . 5.120 5.047 4.981 5.128 0.008 9 0 "[ . 1]" 1
992 2 26 LEU HA 2 31 ALA MB . . 5.500 5.443 5.306 5.521 0.021 1 0 "[ . 1]" 1
993 2 26 LEU HB2 2 27 SER H . . 4.620 3.986 3.917 4.024 . 0 0 "[ . 1]" 1
994 2 26 LEU HB2 2 31 ALA MB . . 4.640 3.421 3.294 3.528 . 0 0 "[ . 1]" 1
995 2 26 LEU HB2 2 34 ILE MD . . 4.060 3.297 3.205 3.388 . 0 0 "[ . 1]" 1
996 2 26 LEU HG 2 27 SER H . . 4.360 3.935 3.905 3.975 . 0 0 "[ . 1]" 1
997 2 26 LEU HG 2 30 GLY HA2 . . 5.310 4.433 4.377 4.507 . 0 0 "[ . 1]" 1
998 2 26 LEU HG 2 30 GLY H . . 5.200 5.291 5.283 5.298 0.098 8 0 "[ . 1]" 1
999 2 26 LEU HG 2 31 ALA HA . . 5.500 5.498 5.458 5.518 0.018 1 0 "[ . 1]" 1
1000 2 26 LEU HG 2 31 ALA H . . 5.210 5.181 5.118 5.225 0.015 7 0 "[ . 1]" 1
1001 2 26 LEU H 2 26 LEU HB2 . . 3.250 2.703 2.682 2.744 . 0 0 "[ . 1]" 1
1002 2 26 LEU H 2 26 LEU HG . . 4.570 4.150 4.069 4.196 . 0 0 "[ . 1]" 1
1003 2 26 LEU H 2 26 LEU QD . . 3.850 2.970 2.909 3.038 . 0 0 "[ . 1]" 1
1004 2 26 LEU H 2 27 SER H . . 4.820 4.545 4.533 4.556 . 0 0 "[ . 1]" 1
1005 2 26 LEU QD 2 27 SER H . . 4.940 3.903 3.878 3.933 . 0 0 "[ . 1]" 1
1006 2 26 LEU QD 2 31 ALA HA . . 4.090 2.717 2.670 2.763 . 0 0 "[ . 1]" 1
1007 2 26 LEU QD 2 31 ALA H . . 3.620 3.397 3.376 3.433 . 0 0 "[ . 1]" 1
1008 2 26 LEU QD 2 32 GLU H . . 5.380 4.870 4.840 4.892 . 0 0 "[ . 1]" 1
1009 2 26 LEU QD 2 34 ILE HB . . 4.980 3.818 3.772 3.915 . 0 0 "[ . 1]" 1
1010 2 27 SER HA 2 28 LYS H . . 3.490 2.658 2.625 2.711 . 0 0 "[ . 1]" 1
1011 2 27 SER HA 2 28 LYS QB . . 5.340 4.398 4.356 4.508 . 0 0 "[ . 1]" 1
1012 2 27 SER HA 2 29 GLU H . . 4.580 4.611 4.566 4.634 0.054 2 0 "[ . 1]" 1
1013 2 27 SER HB2 2 28 LYS QB . . 5.340 5.139 5.080 5.225 . 0 0 "[ . 1]" 1
1014 2 27 SER HB2 2 30 GLY H . . 4.560 4.603 4.565 4.617 0.057 4 0 "[ . 1]" 1
1015 2 27 SER H 2 28 LYS H . . 5.260 4.330 4.303 4.353 . 0 0 "[ . 1]" 1
1016 2 27 SER H 2 29 GLU H . . 4.890 4.383 4.273 4.463 . 0 0 "[ . 1]" 1
1017 2 27 SER H 2 30 GLY HA2 . . 5.190 4.505 4.430 4.596 . 0 0 "[ . 1]" 1
1018 2 27 SER H 2 30 GLY H . . 4.230 2.880 2.769 2.949 . 0 0 "[ . 1]" 1
1019 2 27 SER H 2 31 ALA H . . 4.560 3.812 3.611 3.995 . 0 0 "[ . 1]" 1
1020 2 28 LYS HA 2 29 GLU QG . . 5.380 4.994 4.925 5.140 . 0 0 "[ . 1]" 1
1021 2 28 LYS HA 2 31 ALA H . . 4.160 3.886 3.766 3.960 . 0 0 "[ . 1]" 1
1022 2 28 LYS HA 2 31 ALA MB . . 3.910 3.094 3.049 3.136 . 0 0 "[ . 1]" 1
1023 2 28 LYS HA 2 32 GLU QG . . 5.500 5.124 4.949 5.486 . 0 0 "[ . 1]" 1
1024 2 28 LYS H 2 28 LYS HB3 . . 3.860 2.717 2.471 2.914 . 0 0 "[ . 1]" 1
1025 2 28 LYS H 2 28 LYS QB . . 3.320 2.105 2.048 2.195 . 0 0 "[ . 1]" 1
1026 2 28 LYS H 2 29 GLU H . . 3.120 2.819 2.768 2.855 . 0 0 "[ . 1]" 1
1027 2 28 LYS H 2 30 GLY H . . 4.450 4.260 4.217 4.330 . 0 0 "[ . 1]" 1
1028 2 28 LYS H 2 31 ALA MB . . 4.880 4.840 4.799 4.882 0.002 9 0 "[ . 1]" 1
1029 2 28 LYS QB 2 28 LYS QE . . 4.520 2.980 2.082 3.592 . 0 0 "[ . 1]" 1
1030 2 28 LYS QB 2 29 GLU HA . . 4.770 4.020 3.870 4.170 . 0 0 "[ . 1]" 1
1031 2 28 LYS QB 2 29 GLU H . . 2.940 2.457 2.385 2.543 . 0 0 "[ . 1]" 1
1032 2 29 GLU HB2 2 30 GLY HA2 . . 5.390 4.600 4.376 4.742 . 0 0 "[ . 1]" 1
1033 2 29 GLU HB2 2 30 GLY H . . 3.500 2.884 2.679 3.063 . 0 0 "[ . 1]" 1
1034 2 29 GLU HB2 2 32 GLU QG . . 4.630 4.664 4.648 4.673 0.043 10 0 "[ . 1]" 1
1035 2 29 GLU H 2 29 GLU QG . . 3.250 2.451 2.219 2.638 . 0 0 "[ . 1]" 1
1036 2 29 GLU H 2 30 GLY H . . 2.970 2.536 2.445 2.624 . 0 0 "[ . 1]" 1
1037 2 29 GLU H 2 31 ALA H . . 4.580 4.106 4.082 4.141 . 0 0 "[ . 1]" 1
1038 2 29 GLU H 2 31 ALA MB . . 5.100 4.912 4.836 4.983 . 0 0 "[ . 1]" 1
1039 2 29 GLU QG 2 30 GLY H . . 4.620 4.245 4.055 4.357 . 0 0 "[ . 1]" 1
1040 2 30 GLY HA2 2 31 ALA HA . . 4.930 4.800 4.787 4.816 . 0 0 "[ . 1]" 1
1041 2 30 GLY HA2 2 32 GLU H . . 5.500 4.675 4.645 4.698 . 0 0 "[ . 1]" 1
1042 2 30 GLY HA2 2 33 GLN H . . 3.800 3.362 3.257 3.473 . 0 0 "[ . 1]" 1
1043 2 30 GLY HA2 2 33 GLN QB . . 4.930 2.549 2.368 2.658 . 0 0 "[ . 1]" 1
1044 2 30 GLY HA2 2 34 ILE H . . 4.510 4.218 4.136 4.285 . 0 0 "[ . 1]" 1
1045 2 30 GLY HA2 2 34 ILE QG . . 4.390 4.363 4.324 4.401 0.011 4 0 "[ . 1]" 1
1046 2 30 GLY H 2 31 ALA H . . 3.120 2.729 2.717 2.746 . 0 0 "[ . 1]" 1
1047 2 30 GLY H 2 31 ALA MB . . 4.460 4.413 4.386 4.434 . 0 0 "[ . 1]" 1
1048 2 30 GLY H 2 33 GLN H . . 5.070 4.639 4.586 4.682 . 0 0 "[ . 1]" 1
1049 2 31 ALA HA 2 34 ILE HB . . 4.270 3.053 2.974 3.148 . 0 0 "[ . 1]" 1
1050 2 31 ALA HA 2 34 ILE MD . . 3.670 2.299 2.167 2.353 . 0 0 "[ . 1]" 1
1051 2 31 ALA HA 2 34 ILE QG . . 4.200 3.115 2.890 3.209 . 0 0 "[ . 1]" 1
1052 2 31 ALA H 2 31 ALA MB . . 2.670 2.246 2.235 2.260 . 0 0 "[ . 1]" 1
1053 2 31 ALA H 2 32 GLU H . . 3.060 2.770 2.735 2.834 . 0 0 "[ . 1]" 1
1054 2 31 ALA H 2 32 GLU QB . . 5.020 5.062 5.043 5.088 0.068 9 0 "[ . 1]" 1
1055 2 31 ALA H 2 33 GLN H . . 4.300 4.006 3.940 4.086 . 0 0 "[ . 1]" 1
1056 2 31 ALA H 2 34 ILE H . . 5.180 4.717 4.665 4.767 . 0 0 "[ . 1]" 1
1057 2 31 ALA MB 2 32 GLU HA . . 4.540 3.911 3.825 3.993 . 0 0 "[ . 1]" 1
1058 2 31 ALA MB 2 32 GLU H . . 2.960 2.559 2.504 2.625 . 0 0 "[ . 1]" 1
1059 2 31 ALA MB 2 32 GLU QG . . 5.160 4.445 4.336 4.611 . 0 0 "[ . 1]" 1
1060 2 31 ALA MB 2 33 GLN H . . 4.460 4.478 4.469 4.488 0.028 4 0 "[ . 1]" 1
1061 2 31 ALA MB 2 34 ILE HB . . 4.920 4.204 4.087 4.323 . 0 0 "[ . 1]" 1
1062 2 31 ALA MB 2 34 ILE H . . 5.010 4.537 4.459 4.588 . 0 0 "[ . 1]" 1
1063 2 31 ALA MB 2 34 ILE MD . . 3.660 3.497 3.317 3.606 . 0 0 "[ . 1]" 1
1064 2 31 ALA MB 2 35 ILE H . . 5.260 4.718 4.642 4.787 . 0 0 "[ . 1]" 1
1065 2 32 GLU HA 2 35 ILE HB . . 3.290 2.494 2.292 2.771 . 0 0 "[ . 1]" 1
1066 2 32 GLU HA 2 35 ILE H . . 3.620 3.019 2.868 3.171 . 0 0 "[ . 1]" 1
1067 2 32 GLU HA 2 35 ILE MG . . 3.890 3.216 3.017 3.412 . 0 0 "[ . 1]" 1
1068 2 32 GLU H 2 32 GLU HA . . 2.930 2.875 2.846 2.902 . 0 0 "[ . 1]" 1
1069 2 32 GLU H 2 32 GLU QB . . 2.740 2.537 2.447 2.590 . 0 0 "[ . 1]" 1
1070 2 32 GLU H 2 32 GLU QG . . 3.020 2.456 2.287 2.681 . 0 0 "[ . 1]" 1
1071 2 32 GLU H 2 33 GLN H . . 2.930 2.752 2.678 2.806 . 0 0 "[ . 1]" 1
1072 2 32 GLU H 2 34 ILE MD . . 5.500 5.470 5.366 5.515 0.015 5 0 "[ . 1]" 1
1073 2 32 GLU QB 2 35 ILE HB . . 4.950 3.837 3.538 4.206 . 0 0 "[ . 1]" 1
1074 2 32 GLU QG 2 33 GLN HA . . 3.440 3.474 3.439 3.500 0.060 10 0 "[ . 1]" 1
1075 2 32 GLU QG 2 33 GLN H . . 3.390 2.625 2.475 2.703 . 0 0 "[ . 1]" 1
1076 2 32 GLU QG 2 33 GLN QB . . 3.620 3.467 3.328 3.679 0.059 4 0 "[ . 1]" 1
1077 2 32 GLU QG 2 34 ILE H . . 4.700 4.721 4.650 4.755 0.055 2 0 "[ . 1]" 1
1078 2 32 GLU QG 2 35 ILE HB . . 5.500 5.195 4.998 5.501 0.001 5 0 "[ . 1]" 1
1079 2 32 GLU QG 2 35 ILE H . . 5.290 5.091 5.004 5.203 . 0 0 "[ . 1]" 1
1080 2 32 GLU QG 2 36 SER QB . . 5.500 4.763 4.372 5.230 . 0 0 "[ . 1]" 1
1081 2 33 GLN HA 2 34 ILE QG . . 5.170 5.236 5.222 5.244 0.074 2 0 "[ . 1]" 1
1082 2 33 GLN H 2 33 GLN HA . . 2.910 2.906 2.884 2.920 0.010 4 0 "[ . 1]" 1
1083 2 33 GLN H 2 34 ILE H . . 2.900 2.579 2.547 2.656 . 0 0 "[ . 1]" 1
1084 2 33 GLN H 2 34 ILE QG . . 4.280 4.294 4.285 4.303 0.023 4 0 "[ . 1]" 1
1085 2 33 GLN H 2 35 ILE H . . 4.620 4.084 4.013 4.158 . 0 0 "[ . 1]" 1
1086 2 33 GLN H 2 36 SER H . . 5.500 4.678 4.630 4.730 . 0 0 "[ . 1]" 1
1087 2 33 GLN QB 2 34 ILE MD . . 5.100 5.016 4.930 5.120 0.020 6 0 "[ . 1]" 1
1088 2 33 GLN QB 2 34 ILE QG . . 4.050 3.690 3.561 3.846 . 0 0 "[ . 1]" 1
1089 2 33 GLN QB 2 36 SER QB . . 4.950 4.194 3.893 4.369 . 0 0 "[ . 1]" 1
1090 2 34 ILE HA 2 34 ILE MD . . 3.910 3.860 3.831 3.898 . 0 0 "[ . 1]" 1
1091 2 34 ILE HA 2 34 ILE QG . . 3.460 2.425 2.386 2.492 . 0 0 "[ . 1]" 1
1092 2 34 ILE HA 2 37 GLU H . . 3.220 3.113 3.070 3.165 . 0 0 "[ . 1]" 1
1093 2 34 ILE HA 2 37 GLU QG . . 4.930 2.985 2.788 3.073 . 0 0 "[ . 1]" 1
1094 2 34 ILE HA 2 38 ILE HB . . 5.500 5.204 5.057 5.458 . 0 0 "[ . 1]" 1
1095 2 34 ILE HB 2 34 ILE MD . . 3.710 2.370 2.356 2.395 . 0 0 "[ . 1]" 1
1096 2 34 ILE HB 2 35 ILE HB . . 5.300 4.531 4.245 4.756 . 0 0 "[ . 1]" 1
1097 2 34 ILE HB 2 35 ILE H . . 3.400 2.698 2.600 2.783 . 0 0 "[ . 1]" 1
1098 2 34 ILE HB 2 38 ILE MD . . 4.820 3.835 3.722 3.914 . 0 0 "[ . 1]" 1
1099 2 34 ILE H 2 34 ILE HB . . 2.750 2.690 2.644 2.734 . 0 0 "[ . 1]" 1
1100 2 34 ILE H 2 34 ILE MG . . 3.910 3.871 3.846 3.896 . 0 0 "[ . 1]" 1
1101 2 34 ILE H 2 35 ILE HB . . 4.800 4.757 4.659 4.808 0.008 6 0 "[ . 1]" 1
1102 2 34 ILE H 2 35 ILE H . . 3.020 2.778 2.729 2.826 . 0 0 "[ . 1]" 1
1103 2 34 ILE H 2 36 SER H . . 4.460 4.129 4.045 4.211 . 0 0 "[ . 1]" 1
1104 2 34 ILE MD 2 37 GLU QG . . 5.500 5.488 5.372 5.532 0.032 1 0 "[ . 1]" 1
1105 2 34 ILE QG 2 37 GLU QG . . 4.300 4.107 3.994 4.156 . 0 0 "[ . 1]" 1
1106 2 34 ILE MG 2 35 ILE HA . . 4.770 3.452 3.296 3.575 . 0 0 "[ . 1]" 1
1107 2 34 ILE MG 2 35 ILE QG . . 5.170 4.238 3.878 4.499 . 0 0 "[ . 1]" 1
1108 2 34 ILE MG 2 37 GLU H . . 4.170 4.211 4.202 4.218 0.048 10 0 "[ . 1]" 1
1109 2 34 ILE MG 2 37 GLU QB . . 3.770 2.963 2.908 3.034 . 0 0 "[ . 1]" 1
1110 2 34 ILE MG 2 37 GLU QG . . 4.600 3.957 3.814 4.084 . 0 0 "[ . 1]" 1
1111 2 34 ILE MG 2 38 ILE HB . . 3.740 3.442 3.330 3.599 . 0 0 "[ . 1]" 1
1112 2 34 ILE MG 2 38 ILE H . . 3.240 3.310 3.300 3.330 0.090 5 0 "[ . 1]" 1
1113 2 34 ILE MG 2 38 ILE QG . . 3.790 2.193 2.166 2.212 . 0 0 "[ . 1]" 1
1114 2 35 ILE HA 2 35 ILE MD . . 3.390 2.092 2.034 2.192 . 0 0 "[ . 1]" 1
1115 2 35 ILE HA 2 35 ILE QG . . 4.000 2.295 2.195 2.360 . 0 0 "[ . 1]" 1
1116 2 35 ILE HA 2 36 SER HA . . 5.250 4.753 4.706 4.773 . 0 0 "[ . 1]" 1
1117 2 35 ILE HA 2 37 GLU H . . 4.960 4.275 4.096 4.371 . 0 0 "[ . 1]" 1
1118 2 35 ILE HA 2 38 ILE HB . . 3.970 2.178 2.060 2.264 . 0 0 "[ . 1]" 1
1119 2 35 ILE HA 2 38 ILE H . . 3.890 3.100 2.893 3.245 . 0 0 "[ . 1]" 1
1120 2 35 ILE HA 2 38 ILE MD . . 3.870 3.072 2.829 3.261 . 0 0 "[ . 1]" 1
1121 2 35 ILE HA 2 39 GLN HB2 . . 4.850 4.881 4.870 4.903 0.053 2 0 "[ . 1]" 1
1122 2 35 ILE HA 2 39 GLN H . . 4.170 3.428 3.372 3.492 . 0 0 "[ . 1]" 1
1123 2 35 ILE HA 2 39 GLN QG . . 5.310 3.921 3.871 4.031 . 0 0 "[ . 1]" 1
1124 2 35 ILE HB 2 35 ILE MD . . 3.570 3.300 3.272 3.325 . 0 0 "[ . 1]" 1
1125 2 35 ILE HB 2 36 SER HA . . 5.500 5.403 5.257 5.539 0.039 1 0 "[ . 1]" 1
1126 2 35 ILE HB 2 36 SER H . . 3.710 3.436 3.290 3.571 . 0 0 "[ . 1]" 1
1127 2 35 ILE HB 2 36 SER QB . . 5.290 5.226 5.046 5.354 0.064 9 0 "[ . 1]" 1
1128 2 35 ILE HB 2 38 ILE MD . . 5.190 4.897 4.473 5.190 . 0 0 "[ . 1]" 1
1129 2 35 ILE H 2 35 ILE HB . . 2.830 2.177 2.095 2.246 . 0 0 "[ . 1]" 1
1130 2 35 ILE H 2 35 ILE QG . . 3.990 3.370 3.352 3.399 . 0 0 "[ . 1]" 1
1131 2 35 ILE H 2 36 SER H . . 3.090 2.848 2.818 2.892 . 0 0 "[ . 1]" 1
1132 2 35 ILE H 2 37 GLU H . . 4.310 4.307 4.233 4.342 0.032 3 0 "[ . 1]" 1
1133 2 35 ILE MD 2 38 ILE HA . . 5.500 4.975 4.814 5.104 . 0 0 "[ . 1]" 1
1134 2 35 ILE MD 2 38 ILE HB . . 3.120 2.552 2.372 2.694 . 0 0 "[ . 1]" 1
1135 2 35 ILE MD 2 39 GLN HB2 . . 4.630 3.634 3.597 3.695 . 0 0 "[ . 1]" 1
1136 2 35 ILE MD 2 39 GLN H . . 3.460 2.891 2.783 2.975 . 0 0 "[ . 1]" 1
1137 2 35 ILE MD 2 39 GLN QG . . 3.650 1.952 1.910 2.003 . 0 0 "[ . 1]" 1
1138 2 35 ILE QG 2 36 SER H . . 4.840 4.667 4.593 4.739 . 0 0 "[ . 1]" 1
1139 2 35 ILE QG 2 38 ILE MD . . 4.270 3.317 2.708 3.731 . 0 0 "[ . 1]" 1
1140 2 35 ILE MG 2 36 SER HA . . 4.010 3.288 3.129 3.490 . 0 0 "[ . 1]" 1
1141 2 35 ILE MG 2 36 SER H . . 3.250 2.707 2.582 2.867 . 0 0 "[ . 1]" 1
1142 2 35 ILE MG 2 36 SER QB . . 4.240 3.702 3.422 3.972 . 0 0 "[ . 1]" 1
1143 2 35 ILE MG 2 39 GLN HB2 . . 4.180 3.642 3.506 3.793 . 0 0 "[ . 1]" 1
1144 2 35 ILE MG 2 39 GLN QG . . 4.170 2.880 2.801 2.925 . 0 0 "[ . 1]" 1
1145 2 36 SER HA 2 36 SER QB . . 2.780 2.415 2.400 2.434 . 0 0 "[ . 1]" 1
1146 2 36 SER HA 2 39 GLN HB2 . . 4.300 3.174 3.115 3.208 . 0 0 "[ . 1]" 1
1147 2 36 SER HA 2 39 GLN H . . 4.100 3.916 3.843 3.956 . 0 0 "[ . 1]" 1
1148 2 36 SER HA 2 39 GLN QG . . 5.040 4.533 4.468 4.581 . 0 0 "[ . 1]" 1
1149 2 36 SER H 2 36 SER QB . . 2.700 2.318 2.289 2.383 . 0 0 "[ . 1]" 1
1150 2 36 SER H 2 37 GLU H . . 3.020 2.741 2.704 2.792 . 0 0 "[ . 1]" 1
1151 2 36 SER H 2 38 ILE H . . 4.140 4.235 4.228 4.245 0.105 6 0 "[ . 1]" 1
1152 2 36 SER H 2 39 GLN H . . 4.920 4.855 4.815 4.885 . 0 0 "[ . 1]" 1
1153 2 36 SER H 2 39 GLN QG . . 5.500 5.493 5.455 5.512 0.012 7 0 "[ . 1]" 1
1154 2 36 SER QB 2 37 GLU QB . . 5.300 4.540 4.486 4.630 . 0 0 "[ . 1]" 1
1155 2 36 SER QB 2 39 GLN HB2 . . 5.280 5.186 5.140 5.237 . 0 0 "[ . 1]" 1
1156 2 37 GLU HA 2 37 GLU QG . . 3.430 2.909 2.825 3.065 . 0 0 "[ . 1]" 1
1157 2 37 GLU HA 2 38 ILE HA . . 5.190 4.837 4.821 4.854 . 0 0 "[ . 1]" 1
1158 2 37 GLU HA 2 40 ASN HB3 . . 4.940 2.919 2.343 3.999 . 0 0 "[ . 1]" 1
1159 2 37 GLU HA 2 40 ASN H . . 3.760 3.659 3.571 3.721 . 0 0 "[ . 1]" 1
1160 2 37 GLU HA 2 40 ASN QB . . 3.790 2.466 2.319 2.543 . 0 0 "[ . 1]" 1
1161 2 37 GLU H 2 37 GLU QG . . 3.320 2.386 2.312 2.487 . 0 0 "[ . 1]" 1
1162 2 37 GLU H 2 38 ILE HB . . 4.650 4.668 4.639 4.715 0.065 5 0 "[ . 1]" 1
1163 2 37 GLU H 2 38 ILE H . . 3.180 2.793 2.773 2.815 . 0 0 "[ . 1]" 1
1164 2 37 GLU H 2 40 ASN QB . . 5.170 4.578 4.483 4.691 . 0 0 "[ . 1]" 1
1165 2 37 GLU QB 2 38 ILE HA . . 4.610 3.921 3.868 3.956 . 0 0 "[ . 1]" 1
1166 2 37 GLU QB 2 38 ILE MD . . 4.720 4.531 4.474 4.597 . 0 0 "[ . 1]" 1
1167 2 37 GLU QG 2 38 ILE H . . 4.410 4.179 4.065 4.250 . 0 0 "[ . 1]" 1
1168 2 38 ILE HA 2 38 ILE MD . . 3.860 3.791 3.761 3.833 . 0 0 "[ . 1]" 1
1169 2 38 ILE HA 2 38 ILE QG . . 3.860 2.240 2.196 2.309 . 0 0 "[ . 1]" 1
1170 2 38 ILE HA 2 38 ILE MG . . 3.330 2.652 2.570 2.710 . 0 0 "[ . 1]" 1
1171 2 38 ILE HA 2 39 GLN QG . . 5.500 5.430 5.401 5.467 . 0 0 "[ . 1]" 1
1172 2 38 ILE HA 2 40 ASN H . . 4.660 4.380 4.333 4.420 . 0 0 "[ . 1]" 1
1173 2 38 ILE HA 2 41 GLN HG3 . . 5.050 3.262 2.816 3.798 . 0 0 "[ . 1]" 1
1174 2 38 ILE HA 2 41 GLN H . . 3.870 3.271 3.135 3.383 . 0 0 "[ . 1]" 1
1175 2 38 ILE HA 2 42 LEU H . . 5.270 4.325 4.265 4.376 . 0 0 "[ . 1]" 1
1176 2 38 ILE HB 2 38 ILE MD . . 3.400 2.490 2.447 2.531 . 0 0 "[ . 1]" 1
1177 2 38 ILE HB 2 39 GLN H . . 2.920 2.603 2.516 2.657 . 0 0 "[ . 1]" 1
1178 2 38 ILE HB 2 39 GLN QG . . 5.260 3.939 3.866 4.020 . 0 0 "[ . 1]" 1
1179 2 38 ILE HB 2 40 ASN H . . 4.850 4.904 4.864 4.929 0.079 10 0 "[ . 1]" 1
1180 2 38 ILE H 2 38 ILE HB . . 2.860 2.224 2.202 2.277 . 0 0 "[ . 1]" 1
1181 2 38 ILE H 2 38 ILE MD . . 3.750 3.671 3.590 3.738 . 0 0 "[ . 1]" 1
1182 2 38 ILE H 2 38 ILE QG . . 3.000 2.384 2.269 2.434 . 0 0 "[ . 1]" 1
1183 2 38 ILE H 2 39 GLN H . . 3.110 2.895 2.857 2.926 . 0 0 "[ . 1]" 1
1184 2 38 ILE H 2 40 ASN H . . 4.190 4.037 3.999 4.112 . 0 0 "[ . 1]" 1
1185 2 38 ILE QG 2 41 GLN QG . . 4.950 4.290 3.615 4.965 0.015 5 0 "[ . 1]" 1
1186 2 38 ILE MG 2 39 GLN HA . . 4.180 3.260 3.197 3.314 . 0 0 "[ . 1]" 1
1187 2 38 ILE MG 2 39 GLN H . . 3.360 2.806 2.722 2.971 . 0 0 "[ . 1]" 1
1188 2 38 ILE MG 2 40 ASN H . . 4.740 4.756 4.742 4.791 0.051 5 0 "[ . 1]" 1
1189 2 38 ILE MG 2 41 GLN QG . . 5.340 4.835 3.643 5.270 . 0 0 "[ . 1]" 1
1190 2 39 GLN HA 2 41 GLN H . . 4.400 4.200 4.098 4.304 . 0 0 "[ . 1]" 1
1191 2 39 GLN HA 2 42 LEU HB2 . . 3.910 3.496 3.128 3.764 . 0 0 "[ . 1]" 1
1192 2 39 GLN HA 2 42 LEU H . . 3.780 3.255 3.120 3.357 . 0 0 "[ . 1]" 1
1193 2 39 GLN HA 2 43 GLN H . . 4.460 4.055 3.986 4.130 . 0 0 "[ . 1]" 1
1194 2 39 GLN HB2 2 40 ASN H . . 3.230 2.922 2.874 2.972 . 0 0 "[ . 1]" 1
1195 2 39 GLN H 2 39 GLN HB2 . . 3.000 2.391 2.364 2.410 . 0 0 "[ . 1]" 1
1196 2 39 GLN H 2 39 GLN QG . . 3.040 2.684 2.635 2.761 . 0 0 "[ . 1]" 1
1197 2 39 GLN H 2 40 ASN HA . . 5.500 5.353 5.317 5.401 . 0 0 "[ . 1]" 1
1198 2 39 GLN H 2 40 ASN H . . 2.860 2.671 2.621 2.718 . 0 0 "[ . 1]" 1
1199 2 39 GLN H 2 40 ASN QB . . 4.440 4.478 4.457 4.499 0.059 1 0 "[ . 1]" 1
1200 2 39 GLN QG 2 40 ASN H . . 4.690 4.394 4.374 4.416 . 0 0 "[ . 1]" 1
1201 2 39 GLN QG 2 42 LEU H . . 5.500 5.204 5.067 5.307 . 0 0 "[ . 1]" 1
1202 2 40 ASN HA 2 42 LEU H . . 4.940 4.455 4.284 4.632 . 0 0 "[ . 1]" 1
1203 2 40 ASN HA 2 43 GLN H . . 3.990 3.143 2.920 3.378 . 0 0 "[ . 1]" 1
1204 2 40 ASN H 2 40 ASN QB . . 2.790 2.254 2.199 2.284 . 0 0 "[ . 1]" 1
1205 2 40 ASN H 2 41 GLN H . . 2.910 2.808 2.736 2.916 0.006 10 0 "[ . 1]" 1
1206 2 40 ASN H 2 41 GLN QG . . 5.090 4.608 4.359 4.761 . 0 0 "[ . 1]" 1
1207 2 40 ASN H 2 42 LEU H . . 4.510 4.301 4.209 4.385 . 0 0 "[ . 1]" 1
1208 2 40 ASN QB 2 41 GLN QG . . 4.380 3.835 3.458 4.407 0.027 6 0 "[ . 1]" 1
1209 2 41 GLN HA 2 41 GLN HG3 . . 4.050 3.379 2.809 3.762 . 0 0 "[ . 1]" 1
1210 2 41 GLN HA 2 41 GLN QG . . 3.350 2.493 2.218 3.350 . 0 0 "[ . 1]" 1
1211 2 41 GLN HA 2 45 LEU H . . 5.330 3.462 2.468 5.120 . 0 0 "[ . 1]" 1
1212 2 41 GLN HA 2 45 LEU QB . . 5.500 3.498 2.080 5.484 . 0 0 "[ . 1]" 1
1213 2 41 GLN HG3 2 42 LEU H . . 5.500 4.518 2.847 5.060 . 0 0 "[ . 1]" 1
1214 2 41 GLN H 2 41 GLN HG3 . . 3.430 2.872 2.389 3.517 0.087 10 0 "[ . 1]" 1
1215 2 41 GLN H 2 41 GLN QG . . 2.990 2.477 2.198 2.749 . 0 0 "[ . 1]" 1
1216 2 41 GLN H 2 42 LEU HB2 . . 4.930 4.965 4.691 5.046 0.116 5 0 "[ . 1]" 1
1217 2 41 GLN H 2 42 LEU H . . 3.030 2.642 2.547 2.764 . 0 0 "[ . 1]" 1
1218 2 41 GLN H 2 43 GLN H . . 4.040 4.053 3.949 4.098 0.058 10 0 "[ . 1]" 1
1219 2 41 GLN QG 2 42 LEU H . . 4.770 4.104 2.687 4.406 . 0 0 "[ . 1]" 1
1220 2 42 LEU HA 2 42 LEU HG . . 3.900 2.948 2.347 3.754 . 0 0 "[ . 1]" 1
1221 2 42 LEU HA 2 42 LEU MD1 . . 4.090 3.335 2.964 3.624 . 0 0 "[ . 1]" 1
1222 2 42 LEU HA 2 42 LEU MD2 . . 4.090 2.885 2.119 3.409 . 0 0 "[ . 1]" 1
1223 2 42 LEU HA 2 42 LEU QD . . 3.090 2.688 2.075 3.087 . 0 0 "[ . 1]" 1
1224 2 42 LEU HA 2 43 GLN H . . 3.540 3.560 3.550 3.572 0.032 6 0 "[ . 1]" 1
1225 2 42 LEU HB2 2 43 GLN H . . 4.100 3.882 3.766 3.964 . 0 0 "[ . 1]" 1
1226 2 42 LEU H 2 42 LEU HB2 . . 2.720 2.419 2.220 2.548 . 0 0 "[ . 1]" 1
1227 2 42 LEU H 2 43 GLN H . . 3.260 2.763 2.745 2.788 . 0 0 "[ . 1]" 1
1228 2 42 LEU QD 2 43 GLN HA . . 3.680 3.108 2.576 3.625 . 0 0 "[ . 1]" 1
1229 2 42 LEU QD 2 43 GLN H . . 4.010 3.455 3.207 3.698 . 0 0 "[ . 1]" 1
1230 2 44 ASN HB3 2 45 LEU H . . 4.840 3.735 2.753 4.536 . 0 0 "[ . 1]" 1
1231 2 44 ASN QB 2 45 LEU H . . 4.260 3.285 2.708 3.981 . 0 0 "[ . 1]" 1
1232 2 45 LEU H 2 45 LEU QB . . 2.990 2.298 2.149 2.884 . 0 0 "[ . 1]" 1
1233 2 45 LEU H 2 45 LEU QD . . 4.290 3.396 2.500 3.785 . 0 0 "[ . 1]" 1
1234 2 45 LEU QB 2 46 LYS H . . 4.060 3.203 2.408 3.983 . 0 0 "[ . 1]" 1
1235 2 45 LEU QD 2 46 LYS H . . 4.840 3.125 2.112 4.295 . 0 0 "[ . 1]" 1
1236 2 46 LYS H 2 46 LYS QE . . 5.500 4.948 3.786 5.459 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 56
_Distance_constraint_stats_list.Viol_count 277
_Distance_constraint_stats_list.Viol_total 163.298
_Distance_constraint_stats_list.Viol_max 0.155
_Distance_constraint_stats_list.Viol_rms 0.0367
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0292
_Distance_constraint_stats_list.Viol_average_violations_only 0.0590
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 27 SER 0.000 0.000 . 0 "[ . 1]"
1 28 LYS 1.606 0.105 8 0 "[ . 1]"
1 29 GLU 0.938 0.121 10 0 "[ . 1]"
1 30 GLY 0.088 0.031 4 0 "[ . 1]"
1 31 ALA 1.217 0.093 8 0 "[ . 1]"
1 32 GLU 2.328 0.105 8 0 "[ . 1]"
1 33 GLN 1.489 0.121 10 0 "[ . 1]"
1 34 ILE 0.088 0.031 4 0 "[ . 1]"
1 35 ILE 1.217 0.093 8 0 "[ . 1]"
1 36 SER 1.217 0.096 1 0 "[ . 1]"
1 37 GLU 1.160 0.089 6 0 "[ . 1]"
1 38 ILE 1.790 0.135 7 0 "[ . 1]"
1 39 GLN 0.210 0.055 9 0 "[ . 1]"
1 40 ASN 0.664 0.075 8 0 "[ . 1]"
1 41 GLN 0.610 0.089 6 0 "[ . 1]"
1 42 LEU 1.790 0.135 7 0 "[ . 1]"
1 43 GLN 0.210 0.055 9 0 "[ . 1]"
1 44 ASN 0.169 0.071 10 0 "[ . 1]"
2 27 SER 0.000 0.000 . 0 "[ . 1]"
2 28 LYS 1.539 0.092 1 0 "[ . 1]"
2 29 GLU 1.098 0.155 4 0 "[ . 1]"
2 30 GLY 0.044 0.014 8 0 "[ . 1]"
2 31 ALA 1.045 0.086 9 0 "[ . 1]"
2 32 GLU 2.297 0.103 6 0 "[ . 1]"
2 33 GLN 1.801 0.155 4 0 "[ . 1]"
2 34 ILE 0.044 0.014 8 0 "[ . 1]"
2 35 ILE 1.045 0.086 9 0 "[ . 1]"
2 36 SER 1.356 0.103 6 0 "[ . 1]"
2 37 GLU 1.298 0.076 5 0 "[ . 1]"
2 38 ILE 1.469 0.121 7 0 "[ . 1]"
2 39 GLN 0.087 0.036 2 0 "[ . 1]"
2 40 ASN 0.599 0.088 9 0 "[ . 1]"
2 41 GLN 0.595 0.075 6 0 "[ . 1]"
2 42 LEU 1.469 0.121 7 0 "[ . 1]"
2 43 GLN 0.087 0.036 2 0 "[ . 1]"
2 44 ASN 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 27 SER O 1 31 ALA H . . 2.000 1.839 1.817 1.866 . 0 0 "[ . 1]" 2
2 1 27 SER O 1 31 ALA N . . 3.000 2.833 2.810 2.851 . 0 0 "[ . 1]" 2
3 1 28 LYS O 1 32 GLU H . . 2.000 2.082 2.042 2.100 0.100 8 0 "[ . 1]" 2
4 1 28 LYS O 1 32 GLU N . . 3.000 3.078 3.036 3.105 0.105 8 0 "[ . 1]" 2
5 1 29 GLU O 1 33 GLN H . . 2.000 2.093 2.080 2.121 0.121 10 0 "[ . 1]" 2
6 1 29 GLU O 1 33 GLN N . . 3.000 2.942 2.906 3.011 0.011 10 0 "[ . 1]" 2
7 1 30 GLY O 1 34 ILE H . . 2.000 2.001 1.966 2.031 0.031 4 0 "[ . 1]" 2
8 1 30 GLY O 1 34 ILE N . . 3.000 2.939 2.892 2.972 . 0 0 "[ . 1]" 2
9 1 31 ALA O 1 35 ILE H . . 2.000 2.075 2.054 2.093 0.093 8 0 "[ . 1]" 2
10 1 31 ALA O 1 35 ILE N . . 3.000 3.047 3.036 3.059 0.059 6 0 "[ . 1]" 2
11 1 32 GLU O 1 36 SER H . . 2.000 2.069 2.052 2.096 0.096 1 0 "[ . 1]" 2
12 1 32 GLU O 1 36 SER N . . 3.000 2.961 2.917 3.013 0.013 1 0 "[ . 1]" 2
13 1 33 GLN O 1 37 GLU H . . 2.000 2.048 2.023 2.069 0.069 10 0 "[ . 1]" 2
14 1 33 GLN O 1 37 GLU N . . 3.000 2.998 2.974 3.036 0.036 10 0 "[ . 1]" 2
15 1 34 ILE O 1 38 ILE H . . 2.000 1.762 1.751 1.782 . 0 0 "[ . 1]" 2
16 1 34 ILE O 1 38 ILE N . . 3.000 2.757 2.751 2.768 . 0 0 "[ . 1]" 2
17 1 35 ILE O 1 39 GLN H . . 2.000 1.896 1.835 1.969 . 0 0 "[ . 1]" 2
18 1 35 ILE O 1 39 GLN N . . 3.000 2.884 2.826 2.947 . 0 0 "[ . 1]" 2
19 1 36 SER O 1 40 ASN H . . 2.000 2.049 2.035 2.075 0.075 8 0 "[ . 1]" 2
20 1 36 SER O 1 40 ASN N . . 3.000 2.956 2.932 2.978 . 0 0 "[ . 1]" 2
21 1 37 GLU O 1 41 GLN H . . 2.000 2.061 2.045 2.089 0.089 6 0 "[ . 1]" 2
22 1 37 GLU O 1 41 GLN N . . 3.000 2.907 2.854 3.003 0.003 4 0 "[ . 1]" 2
23 1 38 ILE O 1 42 LEU H . . 2.000 2.099 2.064 2.135 0.135 7 0 "[ . 1]" 2
24 1 38 ILE O 1 42 LEU N . . 3.000 3.080 3.044 3.111 0.111 7 0 "[ . 1]" 2
25 1 39 GLN O 1 43 GLN H . . 2.000 2.001 1.856 2.055 0.055 9 0 "[ . 1]" 2
26 1 39 GLN O 1 43 GLN N . . 3.000 2.890 2.789 3.025 0.025 3 0 "[ . 1]" 2
27 1 40 ASN O 1 44 ASN H . . 2.000 1.960 1.874 2.071 0.071 10 0 "[ . 1]" 2
28 1 40 ASN O 1 44 ASN N . . 3.000 2.851 2.774 2.938 . 0 0 "[ . 1]" 2
29 2 27 SER O 2 31 ALA H . . 2.000 1.830 1.796 1.887 . 0 0 "[ . 1]" 2
30 2 27 SER O 2 31 ALA N . . 3.000 2.825 2.793 2.868 . 0 0 "[ . 1]" 2
31 2 28 LYS O 2 32 GLU H . . 2.000 2.080 2.051 2.092 0.092 1 0 "[ . 1]" 2
32 2 28 LYS O 2 32 GLU N . . 3.000 3.073 3.035 3.089 0.089 3 0 "[ . 1]" 2
33 2 29 GLU O 2 33 GLN H . . 2.000 2.107 2.086 2.155 0.155 4 0 "[ . 1]" 2
34 2 29 GLU O 2 33 GLN N . . 3.000 2.948 2.907 3.016 0.016 4 0 "[ . 1]" 2
35 2 30 GLY O 2 34 ILE H . . 2.000 1.991 1.948 2.014 0.014 8 0 "[ . 1]" 2
36 2 30 GLY O 2 34 ILE N . . 3.000 2.924 2.889 2.947 . 0 0 "[ . 1]" 2
37 2 31 ALA O 2 35 ILE H . . 2.000 2.070 2.052 2.086 0.086 9 0 "[ . 1]" 2
38 2 31 ALA O 2 35 ILE N . . 3.000 3.035 3.021 3.049 0.049 2 0 "[ . 1]" 2
39 2 32 GLU O 2 36 SER H . . 2.000 2.073 2.053 2.103 0.103 6 0 "[ . 1]" 2
40 2 32 GLU O 2 36 SER N . . 3.000 2.973 2.928 3.010 0.010 6 0 "[ . 1]" 2
41 2 33 GLN O 2 37 GLU H . . 2.000 2.058 2.035 2.076 0.076 5 0 "[ . 1]" 2
42 2 33 GLN O 2 37 GLU N . . 3.000 3.012 2.993 3.025 0.025 10 0 "[ . 1]" 2
43 2 34 ILE O 2 38 ILE H . . 2.000 1.747 1.727 1.762 . 0 0 "[ . 1]" 2
44 2 34 ILE O 2 38 ILE N . . 3.000 2.743 2.723 2.755 . 0 0 "[ . 1]" 2
45 2 35 ILE O 2 39 GLN H . . 2.000 1.879 1.820 1.931 . 0 0 "[ . 1]" 2
46 2 35 ILE O 2 39 GLN N . . 3.000 2.864 2.808 2.913 . 0 0 "[ . 1]" 2
47 2 36 SER O 2 40 ASN H . . 2.000 2.060 2.028 2.088 0.088 9 0 "[ . 1]" 2
48 2 36 SER O 2 40 ASN N . . 3.000 2.965 2.946 2.992 . 0 0 "[ . 1]" 2
49 2 37 GLU O 2 41 GLN H . . 2.000 2.059 2.038 2.075 0.075 6 0 "[ . 1]" 2
50 2 37 GLU O 2 41 GLN N . . 3.000 2.885 2.825 2.986 . 0 0 "[ . 1]" 2
51 2 38 ILE O 2 42 LEU H . . 2.000 2.084 2.051 2.121 0.121 7 0 "[ . 1]" 2
52 2 38 ILE O 2 42 LEU N . . 3.000 3.062 3.035 3.087 0.087 7 0 "[ . 1]" 2
53 2 39 GLN O 2 43 GLN H . . 2.000 1.979 1.866 2.036 0.036 2 0 "[ . 1]" 2
54 2 39 GLN O 2 43 GLN N . . 3.000 2.934 2.842 3.002 0.002 2 0 "[ . 1]" 2
55 2 40 ASN O 2 44 ASN H . . 2.000 1.888 1.826 1.955 . 0 0 "[ . 1]" 2
56 2 40 ASN O 2 44 ASN N . . 3.000 2.861 2.796 2.933 . 0 0 "[ . 1]" 2
stop_
save_
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