NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399420 |
1u3o   |
6300 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u3o
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 808
_Distance_constraint_stats_list.Viol_count 2583
_Distance_constraint_stats_list.Viol_total 5541.563
_Distance_constraint_stats_list.Viol_max 0.365
_Distance_constraint_stats_list.Viol_rms 0.0519
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0171
_Distance_constraint_stats_list.Viol_average_violations_only 0.1073
_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 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 2.433 0.145 14 0 "[ . 1 . 2]"
1 18 GLU 8.771 0.216 16 0 "[ . 1 . 2]"
1 19 LEU 9.929 0.226 8 0 "[ . 1 . 2]"
1 20 THR 3.591 0.226 8 0 "[ . 1 . 2]"
1 21 VAL 2.598 0.133 6 0 "[ . 1 . 2]"
1 22 VAL 11.836 0.335 8 0 "[ . 1 . 2]"
1 23 LEU 0.679 0.053 8 0 "[ . 1 . 2]"
1 24 GLN 11.128 0.250 14 0 "[ . 1 . 2]"
1 25 ASP 12.535 0.216 8 0 "[ . 1 . 2]"
1 26 PHE 16.121 0.216 8 0 "[ . 1 . 2]"
1 27 SER 22.295 0.308 20 0 "[ . 1 . 2]"
1 28 ALA 1.939 0.082 14 0 "[ . 1 . 2]"
1 29 ALA 1.792 0.105 3 0 "[ . 1 . 2]"
1 30 HIS 1.956 0.082 4 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLU 7.325 0.253 8 0 "[ . 1 . 2]"
1 34 LEU 7.887 0.274 12 0 "[ . 1 . 2]"
1 35 SER 12.223 0.237 18 0 "[ . 1 . 2]"
1 36 ILE 20.778 0.297 2 0 "[ . 1 . 2]"
1 37 GLN 12.524 0.255 14 0 "[ . 1 . 2]"
1 38 VAL 6.027 0.214 10 0 "[ . 1 . 2]"
1 39 GLY 2.061 0.130 7 0 "[ . 1 . 2]"
1 40 GLN 19.635 0.324 8 0 "[ . 1 . 2]"
1 41 THR 5.706 0.242 7 0 "[ . 1 . 2]"
1 42 VAL 9.844 0.201 10 0 "[ . 1 . 2]"
1 43 GLU 7.069 0.168 8 0 "[ . 1 . 2]"
1 44 LEU 11.306 0.322 19 0 "[ . 1 . 2]"
1 45 LEU 8.983 0.322 19 0 "[ . 1 . 2]"
1 46 GLU 10.319 0.317 16 0 "[ . 1 . 2]"
1 47 ARG 4.444 0.317 16 0 "[ . 1 . 2]"
1 48 PRO 0.471 0.070 5 0 "[ . 1 . 2]"
1 49 SER 5.543 0.286 5 0 "[ . 1 . 2]"
1 50 GLU 14.960 0.353 9 0 "[ . 1 . 2]"
1 51 ARG 4.260 0.353 9 0 "[ . 1 . 2]"
1 52 PRO 2.019 0.184 16 0 "[ . 1 . 2]"
1 53 GLY 3.521 0.190 7 0 "[ . 1 . 2]"
1 54 TRP 21.870 0.306 1 0 "[ . 1 . 2]"
1 55 CYS 20.023 0.318 1 0 "[ . 1 . 2]"
1 56 LEU 12.865 0.318 1 0 "[ . 1 . 2]"
1 57 VAL 7.282 0.274 12 0 "[ . 1 . 2]"
1 58 ARG 16.489 0.262 2 0 "[ . 1 . 2]"
1 59 THR 6.675 0.365 5 0 "[ . 1 . 2]"
1 60 THR 3.439 0.171 18 0 "[ . 1 . 2]"
1 61 GLU 2.679 0.189 18 0 "[ . 1 . 2]"
1 62 ARG 8.138 0.189 18 0 "[ . 1 . 2]"
1 63 SER 3.097 0.142 14 0 "[ . 1 . 2]"
1 64 PRO 0.675 0.051 19 0 "[ . 1 . 2]"
1 65 PRO 7.009 0.365 5 0 "[ . 1 . 2]"
1 66 GLN 8.143 0.222 6 0 "[ . 1 . 2]"
1 67 GLU 8.077 0.227 9 0 "[ . 1 . 2]"
1 68 GLY 5.720 0.262 2 0 "[ . 1 . 2]"
1 69 LEU 2.564 0.162 16 0 "[ . 1 . 2]"
1 70 VAL 4.784 0.200 18 0 "[ . 1 . 2]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 5.737 0.151 2 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 10.466 0.250 14 0 "[ . 1 . 2]"
1 75 LEU 16.007 0.312 12 0 "[ . 1 . 2]"
1 76 CYS 7.822 0.312 12 0 "[ . 1 . 2]"
1 77 ILE 0.979 0.120 4 0 "[ . 1 . 2]"
1 78 SER 0.823 0.120 4 0 "[ . 1 . 2]"
1 79 HIS 0.011 0.011 15 0 "[ . 1 . 2]"
1 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 CYS H 1 17 CYS HB2 2.830 . 3.860 3.732 3.642 3.747 . 0 0 "[ . 1 . 2]" 1
2 1 17 CYS H 1 17 CYS HB3 2.830 . 3.860 3.453 3.230 3.530 . 0 0 "[ . 1 . 2]" 1
3 1 18 GLU H 1 18 GLU HB2 2.610 . 3.420 3.185 3.176 3.197 . 0 0 "[ . 1 . 2]" 1
4 1 18 GLU H 1 18 GLU HB3 2.425 . 3.050 2.685 2.671 2.723 . 0 0 "[ . 1 . 2]" 1
5 1 20 THR H 1 20 THR HB 2.660 . 3.520 3.195 2.666 3.414 . 0 0 "[ . 1 . 2]" 1
6 1 21 VAL H 1 21 VAL HB 2.675 . 3.550 3.655 3.635 3.683 0.133 6 0 "[ . 1 . 2]" 1
7 1 22 VAL H 1 22 VAL HB 2.505 . 3.210 3.528 3.520 3.545 0.335 8 0 "[ . 1 . 2]" 1
8 1 24 GLN H 1 24 GLN HA 2.350 . 2.900 2.905 2.896 2.914 0.014 5 0 "[ . 1 . 2]" 1
9 1 24 GLN H 1 24 GLN HB2 2.830 . 3.860 3.899 3.887 3.914 0.054 18 0 "[ . 1 . 2]" 1
10 1 24 GLN H 1 24 GLN HB3 2.335 . 2.870 3.018 2.946 3.062 0.192 6 0 "[ . 1 . 2]" 1
11 1 25 ASP H 1 25 ASP HB2 2.610 . 3.420 3.241 3.216 3.259 . 0 0 "[ . 1 . 2]" 1
12 1 25 ASP H 1 25 ASP HB3 2.610 . 3.420 3.505 3.498 3.516 0.096 15 0 "[ . 1 . 2]" 1
13 1 26 PHE H 1 26 PHE HB2 2.470 . 3.140 3.213 3.192 3.236 0.096 12 0 "[ . 1 . 2]" 1
14 1 26 PHE H 1 26 PHE HB3 2.455 . 3.110 2.941 2.920 2.969 . 0 0 "[ . 1 . 2]" 1
15 1 27 SER H 1 27 SER HB2 2.505 . 3.210 3.512 3.506 3.518 0.308 20 0 "[ . 1 . 2]" 1
16 1 27 SER H 1 27 SER HB3 2.505 . 3.210 3.408 3.399 3.419 0.209 18 0 "[ . 1 . 2]" 1
17 1 28 ALA H 1 28 ALA HA 2.335 . 2.870 2.694 2.686 2.709 . 0 0 "[ . 1 . 2]" 1
18 1 29 ALA H 1 29 ALA HA 2.270 . 2.740 2.753 2.737 2.781 0.041 13 0 "[ . 1 . 2]" 1
19 1 30 HIS H 1 30 HIS HA 2.350 . 2.900 2.927 2.918 2.930 0.030 8 0 "[ . 1 . 2]" 1
20 1 34 LEU H 1 34 LEU HA 2.350 . 2.900 2.875 2.857 2.886 . 0 0 "[ . 1 . 2]" 1
21 1 34 LEU H 1 34 LEU HB2 2.860 . 3.920 3.750 3.731 3.777 . 0 0 "[ . 1 . 2]" 1
22 1 34 LEU H 1 34 LEU HB3 2.860 . 3.920 3.694 3.665 3.725 . 0 0 "[ . 1 . 2]" 1
23 1 35 SER H 1 35 SER HB2 2.595 . 3.390 3.473 3.453 3.498 0.108 10 0 "[ . 1 . 2]" 1
24 1 35 SER H 1 35 SER HB3 2.520 . 3.240 3.107 3.066 3.151 . 0 0 "[ . 1 . 2]" 1
25 1 36 ILE H 1 36 ILE HB 2.815 . 3.830 3.735 3.647 3.813 . 0 0 "[ . 1 . 2]" 1
26 1 37 GLN H 1 37 GLN HB2 2.550 . 3.300 2.475 2.435 2.507 . 0 0 "[ . 1 . 2]" 1
27 1 37 GLN H 1 37 GLN HB3 2.550 . 3.300 3.544 3.535 3.555 0.255 14 0 "[ . 1 . 2]" 1
28 1 38 VAL H 1 38 VAL HB 2.505 . 3.210 2.579 2.531 2.722 . 0 0 "[ . 1 . 2]" 1
29 1 40 GLN H 1 40 GLN HB2 2.520 . 3.240 3.557 3.550 3.564 0.324 8 0 "[ . 1 . 2]" 1
30 1 40 GLN H 1 40 GLN HB3 2.520 . 3.240 2.470 2.389 2.570 . 0 0 "[ . 1 . 2]" 1
31 1 41 THR H 1 41 THR HB 2.395 . 2.990 2.608 2.571 2.624 . 0 0 "[ . 1 . 2]" 1
32 1 42 VAL H 1 42 VAL HB 2.955 . 4.110 2.816 2.638 3.014 . 0 0 "[ . 1 . 2]" 1
33 1 43 GLU H 1 43 GLU HB2 2.675 . 3.550 3.583 3.575 3.599 0.049 9 0 "[ . 1 . 2]" 1
34 1 43 GLU H 1 43 GLU HB3 2.675 . 3.550 2.581 2.548 2.620 . 0 0 "[ . 1 . 2]" 1
35 1 44 LEU H 1 44 LEU HB3 2.285 . 2.770 2.806 2.702 2.868 0.098 18 0 "[ . 1 . 2]" 1
36 1 44 LEU H 1 44 LEU HB2 2.580 . 3.360 3.573 3.545 3.594 0.234 8 0 "[ . 1 . 2]" 1
37 1 46 GLU H 1 46 GLU HB2 2.675 . 3.550 3.750 3.633 3.817 0.267 19 0 "[ . 1 . 2]" 1
38 1 54 TRP H 1 54 TRP HB2 2.580 . 3.360 3.637 3.604 3.666 0.306 1 0 "[ . 1 . 2]" 1
39 1 54 TRP H 1 54 TRP HB3 2.240 . 2.680 2.518 2.452 2.577 . 0 0 "[ . 1 . 2]" 1
40 1 55 CYS H 1 55 CYS HB2 2.640 . 3.480 3.061 2.857 3.149 . 0 0 "[ . 1 . 2]" 1
41 1 55 CYS H 1 55 CYS HB3 2.640 . 3.480 3.482 3.327 3.761 0.281 18 0 "[ . 1 . 2]" 1
42 1 56 LEU H 1 56 LEU HB2 2.595 . 3.390 2.313 2.269 2.343 . 0 0 "[ . 1 . 2]" 1
43 1 56 LEU H 1 56 LEU HB3 2.595 . 3.390 3.542 3.517 3.561 0.171 18 0 "[ . 1 . 2]" 1
44 1 57 VAL H 1 57 VAL HB 2.845 . 3.890 3.707 3.677 3.779 . 0 0 "[ . 1 . 2]" 1
45 1 58 ARG H 1 58 ARG HA 2.335 . 2.870 2.929 2.922 2.944 0.074 2 0 "[ . 1 . 2]" 1
46 1 59 THR H 1 59 THR HB 2.735 . 3.670 2.812 2.237 3.689 0.019 6 0 "[ . 1 . 2]" 1
47 1 62 ARG H 1 62 ARG HB2 2.610 . 3.420 3.084 2.570 3.495 0.075 6 0 "[ . 1 . 2]" 1
48 1 62 ARG H 1 62 ARG HB3 2.610 . 3.420 3.038 2.571 3.585 0.165 20 0 "[ . 1 . 2]" 1
49 1 63 SER H 1 63 SER HB2 2.920 . 4.040 2.957 2.233 3.626 . 0 0 "[ . 1 . 2]" 1
50 1 63 SER H 1 63 SER HB3 2.920 . 4.040 3.117 2.380 3.624 . 0 0 "[ . 1 . 2]" 1
51 1 66 GLN H 1 66 GLN HA 2.255 . 2.710 2.888 2.872 2.903 0.193 5 0 "[ . 1 . 2]" 1
52 1 66 GLN H 1 66 GLN HB2 2.550 . 3.300 2.660 2.524 2.778 . 0 0 "[ . 1 . 2]" 1
53 1 66 GLN H 1 66 GLN HB3 2.550 . 3.300 3.295 3.171 3.373 0.073 3 0 "[ . 1 . 2]" 1
54 1 67 GLU H 1 67 GLU HA 2.380 . 2.960 2.920 2.903 2.933 . 0 0 "[ . 1 . 2]" 1
55 1 69 LEU H 1 69 LEU HB2 2.505 . 3.210 2.661 2.558 2.715 . 0 0 "[ . 1 . 2]" 1
56 1 70 VAL H 1 70 VAL HB 2.830 . 3.860 3.780 3.715 3.877 0.017 8 0 "[ . 1 . 2]" 1
57 1 74 THR H 1 74 THR HB 2.610 . 3.420 3.632 3.580 3.652 0.232 20 0 "[ . 1 . 2]" 1
58 1 75 LEU H 1 75 LEU HB2 2.720 . 3.640 2.625 2.519 2.718 . 0 0 "[ . 1 . 2]" 1
59 1 75 LEU H 1 75 LEU HB3 2.720 . 3.640 3.736 3.672 3.794 0.154 18 0 "[ . 1 . 2]" 1
60 1 76 CYS H 1 76 CYS HB2 2.580 . 3.360 2.442 2.169 3.559 0.199 12 0 "[ . 1 . 2]" 1
61 1 76 CYS H 1 76 CYS HB3 2.580 . 3.360 2.718 2.421 2.997 . 0 0 "[ . 1 . 2]" 1
62 1 14 SER HA 1 15 GLY H 2.690 . 3.580 2.674 2.144 3.571 . 0 0 "[ . 1 . 2]" 1
63 1 17 CYS H 1 18 GLU H 3.015 . 4.230 4.292 4.231 4.375 0.145 14 0 "[ . 1 . 2]" 1
64 1 17 CYS HB2 1 18 GLU H 2.830 . 3.860 3.158 3.008 3.331 . 0 0 "[ . 1 . 2]" 1
65 1 18 GLU HB3 1 19 LEU H 2.830 . 3.860 3.885 3.870 3.891 0.031 13 0 "[ . 1 . 2]" 1
66 1 19 LEU HB3 1 20 THR H 2.565 . 3.330 3.210 3.093 3.264 . 0 0 "[ . 1 . 2]" 1
67 1 19 LEU HB2 1 20 THR H 2.675 . 3.550 3.730 3.707 3.776 0.226 8 0 "[ . 1 . 2]" 1
68 1 22 VAL H 1 41 THR HA 2.890 . 3.980 3.828 3.700 3.996 0.016 9 0 "[ . 1 . 2]" 1
69 1 21 VAL HB 1 22 VAL H 2.705 . 3.610 3.166 2.950 3.446 . 0 0 "[ . 1 . 2]" 1
70 1 23 LEU H 1 24 GLN H 2.380 . 2.960 2.498 2.154 2.588 . 0 0 "[ . 1 . 2]" 1
71 1 22 VAL HA 1 23 LEU H 2.335 . 2.870 2.122 2.090 2.236 . 0 0 "[ . 1 . 2]" 1
72 1 24 GLN H 1 38 VAL HA 2.640 . 3.480 3.677 3.606 3.694 0.214 10 0 "[ . 1 . 2]" 1
73 1 24 GLN H 1 74 THR HA 2.380 . 2.960 2.437 2.189 2.602 . 0 0 "[ . 1 . 2]" 1
74 1 24 GLN HA 1 25 ASP H 2.100 . 2.400 2.315 2.285 2.379 . 0 0 "[ . 1 . 2]" 1
75 1 24 GLN HB2 1 25 ASP H 2.350 . 2.900 2.916 2.852 2.985 0.085 8 0 "[ . 1 . 2]" 1
76 1 26 PHE H 1 37 GLN HA 2.550 . 3.300 3.327 3.305 3.350 0.050 9 0 "[ . 1 . 2]" 1
77 1 25 ASP HB3 1 26 PHE H 2.395 . 2.990 3.045 3.015 3.084 0.094 14 0 "[ . 1 . 2]" 1
78 1 26 PHE HB2 1 27 SER H 2.830 . 3.860 3.940 3.904 3.966 0.106 4 0 "[ . 1 . 2]" 1
79 1 28 ALA H 1 35 SER HA 2.365 . 2.930 2.756 2.716 2.798 . 0 0 "[ . 1 . 2]" 1
80 1 27 SER HA 1 28 ALA H 2.115 . 2.430 2.184 2.168 2.214 . 0 0 "[ . 1 . 2]" 1
81 1 27 SER HB2 1 28 ALA H 2.765 . 3.730 3.180 3.150 3.193 . 0 0 "[ . 1 . 2]" 1
82 1 27 SER HB3 1 28 ALA H 2.765 . 3.730 3.809 3.802 3.812 0.082 14 0 "[ . 1 . 2]" 1
83 1 28 ALA HA 1 29 ALA H 2.180 . 2.560 2.573 2.558 2.586 0.026 20 0 "[ . 1 . 2]" 1
84 1 29 ALA H 1 30 HIS H 2.255 . 2.710 1.889 1.869 1.901 . 0 0 "[ . 1 . 2]" 1
85 1 33 GLU HA 1 34 LEU H 2.395 . 2.990 2.300 2.256 2.347 . 0 0 "[ . 1 . 2]" 1
86 1 26 PHE H 1 36 ILE H 2.595 . 3.390 2.734 2.690 2.773 . 0 0 "[ . 1 . 2]" 1
87 1 27 SER HA 1 36 ILE H 2.425 . 3.050 3.338 3.333 3.347 0.297 2 0 "[ . 1 . 2]" 1
88 1 35 SER HB2 1 36 ILE H 2.505 . 3.210 3.285 3.212 3.349 0.139 10 0 "[ . 1 . 2]" 1
89 1 35 SER HB3 1 36 ILE H 2.890 . 3.980 3.850 3.760 3.942 . 0 0 "[ . 1 . 2]" 1
90 1 36 ILE HA 1 37 GLN H 2.145 . 2.490 2.412 2.377 2.492 0.002 14 0 "[ . 1 . 2]" 1
91 1 25 ASP HA 1 38 VAL H 2.425 . 3.050 2.882 2.756 3.095 0.045 5 0 "[ . 1 . 2]" 1
92 1 38 VAL HA 1 39 GLY H 2.255 . 2.710 2.185 2.174 2.193 . 0 0 "[ . 1 . 2]" 1
93 1 38 VAL HA 1 40 GLN H 2.765 . 3.730 3.803 3.774 3.834 0.104 9 0 "[ . 1 . 2]" 1
94 1 39 GLY HA2 1 40 GLN H 2.580 . 3.360 3.462 3.428 3.490 0.130 7 0 "[ . 1 . 2]" 1
95 1 39 GLY H 1 40 GLN H 2.315 . 2.830 2.631 2.425 2.844 0.014 2 0 "[ . 1 . 2]" 1
96 1 40 GLN HA 1 41 THR H 2.180 . 2.560 2.430 2.392 2.536 . 0 0 "[ . 1 . 2]" 1
97 1 40 GLN HB3 1 41 THR H 2.675 . 3.550 3.746 3.667 3.792 0.242 7 0 "[ . 1 . 2]" 1
98 1 40 GLN HB2 1 41 THR H 2.675 . 3.550 2.330 2.189 2.396 . 0 0 "[ . 1 . 2]" 1
99 1 44 LEU HB3 1 45 LEU H 2.580 . 3.360 3.664 3.609 3.682 0.322 19 0 "[ . 1 . 2]" 1
100 1 45 LEU HB2 1 46 GLU H 2.720 . 3.640 2.278 2.168 2.373 . 0 0 "[ . 1 . 2]" 1
101 1 52 PRO HA 1 53 GLY H 2.535 . 3.270 2.160 2.150 2.194 . 0 0 "[ . 1 . 2]" 1
102 1 53 GLY HA3 1 54 TRP H 2.485 . 3.170 3.201 3.108 3.259 0.089 9 0 "[ . 1 . 2]" 1
103 1 54 TRP HA 1 55 CYS H 2.300 . 2.800 2.395 2.337 2.426 . 0 0 "[ . 1 . 2]" 1
104 1 54 TRP HB3 1 55 CYS H 2.830 . 3.860 3.966 3.949 3.983 0.123 8 0 "[ . 1 . 2]" 1
105 1 54 TRP HB2 1 55 CYS H 2.410 . 3.020 2.628 2.601 2.654 . 0 0 "[ . 1 . 2]" 1
106 1 55 CYS HB3 1 56 LEU H 2.765 . 3.730 3.068 2.696 3.256 . 0 0 "[ . 1 . 2]" 1
107 1 55 CYS HB2 1 56 LEU H 2.765 . 3.730 4.021 3.986 4.048 0.318 1 0 "[ . 1 . 2]" 1
108 1 55 CYS HA 1 56 LEU H 2.210 . 2.620 2.277 2.256 2.312 . 0 0 "[ . 1 . 2]" 1
109 1 68 GLY HA3 1 69 LEU H 2.425 . 3.050 2.662 2.422 2.872 . 0 0 "[ . 1 . 2]" 1
110 1 56 LEU HB2 1 57 VAL H 2.830 . 3.860 3.901 3.877 3.933 0.073 12 0 "[ . 1 . 2]" 1
111 1 57 VAL HB 1 58 ARG H 2.610 . 3.420 3.478 3.440 3.524 0.104 7 0 "[ . 1 . 2]" 1
112 1 44 LEU HA 1 58 ARG H 3.110 . 4.420 3.148 2.967 3.352 . 0 0 "[ . 1 . 2]" 1
113 1 43 GLU H 1 58 ARG H 2.595 . 3.390 3.498 3.401 3.530 0.140 15 0 "[ . 1 . 2]" 1
114 1 59 THR H 1 66 GLN H 2.535 . 3.270 2.361 2.186 2.494 . 0 0 "[ . 1 . 2]" 1
115 1 59 THR H 1 67 GLU HA 2.780 . 3.760 3.390 3.137 3.634 . 0 0 "[ . 1 . 2]" 1
116 1 58 ARG HA 1 59 THR H 2.365 . 2.930 2.304 2.268 2.473 . 0 0 "[ . 1 . 2]" 1
117 1 59 THR HA 1 60 THR H 2.365 . 2.930 2.143 2.076 2.169 . 0 0 "[ . 1 . 2]" 1
118 1 62 ARG H 1 63 SER H 2.675 . 3.550 3.671 3.649 3.692 0.142 14 0 "[ . 1 . 2]" 1
119 1 62 ARG HA 1 63 SER H 2.300 . 2.800 2.207 2.196 2.214 . 0 0 "[ . 1 . 2]" 1
120 1 67 GLU HA 1 68 GLY H 2.195 . 2.590 2.222 2.201 2.283 . 0 0 "[ . 1 . 2]" 1
121 1 58 ARG HA 1 68 GLY H 2.485 . 3.170 3.354 3.285 3.432 0.262 2 0 "[ . 1 . 2]" 1
122 1 67 GLU HB3 1 68 GLY H 2.485 . 3.170 3.091 2.867 3.397 0.227 9 0 "[ . 1 . 2]" 1
123 1 67 GLU HB2 1 68 GLY H 2.485 . 3.170 3.084 2.555 3.287 0.117 10 0 "[ . 1 . 2]" 1
124 1 55 CYS H 1 70 VAL H 2.535 . 3.270 3.386 3.338 3.470 0.200 18 0 "[ . 1 . 2]" 1
125 1 69 LEU HA 1 70 VAL H 2.210 . 2.620 2.124 2.105 2.142 . 0 0 "[ . 1 . 2]" 1
126 1 69 LEU HB3 1 70 VAL H 2.520 . 3.240 3.254 3.078 3.306 0.066 6 0 "[ . 1 . 2]" 1
127 1 72 SER H 1 73 SER H 2.625 . 3.450 2.861 2.822 2.948 . 0 0 "[ . 1 . 2]" 1
128 1 74 THR HA 1 75 LEU H 2.520 . 3.240 3.257 3.045 3.326 0.086 7 0 "[ . 1 . 2]" 1
129 1 75 LEU HB2 1 76 CYS H 2.860 . 3.920 3.656 3.122 4.123 0.203 20 0 "[ . 1 . 2]" 1
130 1 75 LEU HB3 1 76 CYS H 2.860 . 3.920 2.633 1.994 3.379 . 0 0 "[ . 1 . 2]" 1
131 1 77 ILE HA 1 78 SER H 2.595 . 3.390 2.880 2.276 3.510 0.120 4 0 "[ . 1 . 2]" 1
132 1 17 CYS HA 1 18 GLU H 2.240 . 2.680 2.158 2.113 2.195 . 0 0 "[ . 1 . 2]" 1
133 1 18 GLU HA 1 19 LEU H 2.240 . 2.680 2.248 2.196 2.262 . 0 0 "[ . 1 . 2]" 1
134 1 19 LEU HA 1 20 THR H 2.210 . 2.620 2.117 2.096 2.159 . 0 0 "[ . 1 . 2]" 1
135 1 20 THR HA 1 21 VAL H 2.380 . 2.960 2.271 2.226 2.306 . 0 0 "[ . 1 . 2]" 1
136 1 21 VAL HA 1 22 VAL H 2.610 . 3.420 2.201 2.153 2.248 . 0 0 "[ . 1 . 2]" 1
137 1 25 ASP HA 1 26 PHE H 2.180 . 2.560 2.211 2.196 2.223 . 0 0 "[ . 1 . 2]" 1
138 1 25 ASP HB2 1 26 PHE H 2.395 . 2.990 3.193 3.180 3.206 0.216 8 0 "[ . 1 . 2]" 1
139 1 26 PHE HA 1 27 SER H 2.100 . 2.400 2.280 2.266 2.288 . 0 0 "[ . 1 . 2]" 1
140 1 34 LEU HA 1 35 SER H 2.195 . 2.590 2.405 2.375 2.442 . 0 0 "[ . 1 . 2]" 1
141 1 35 SER HA 1 36 ILE H 2.335 . 2.870 2.064 2.051 2.077 . 0 0 "[ . 1 . 2]" 1
142 1 35 SER H 1 36 ILE H 3.000 . 4.200 4.401 4.364 4.437 0.237 18 0 "[ . 1 . 2]" 1
143 1 37 GLN HA 1 38 VAL H 2.115 . 2.430 2.243 2.183 2.363 . 0 0 "[ . 1 . 2]" 1
144 1 39 GLY HA3 1 40 GLN H 2.580 . 3.360 3.045 2.970 3.134 . 0 0 "[ . 1 . 2]" 1
145 1 41 THR HA 1 42 VAL H 2.240 . 2.680 2.076 2.064 2.090 . 0 0 "[ . 1 . 2]" 1
146 1 43 GLU HA 1 44 LEU H 2.350 . 2.900 2.169 2.104 2.204 . 0 0 "[ . 1 . 2]" 1
147 1 42 VAL HA 1 43 GLU H 2.350 . 2.900 2.143 2.097 2.165 . 0 0 "[ . 1 . 2]" 1
148 1 44 LEU HA 1 45 LEU H 2.565 . 3.330 2.151 2.138 2.165 . 0 0 "[ . 1 . 2]" 1
149 1 56 LEU HA 1 57 VAL H 2.210 . 2.620 2.387 2.367 2.469 . 0 0 "[ . 1 . 2]" 1
150 1 75 LEU HA 1 76 CYS H 2.380 . 2.960 2.333 2.104 2.588 . 0 0 "[ . 1 . 2]" 1
151 1 18 GLU H 1 19 LEU H 3.000 . 4.200 4.408 4.386 4.416 0.216 16 0 "[ . 1 . 2]" 1
152 1 22 VAL H 1 40 GLN H 2.920 . 4.040 4.086 4.051 4.117 0.077 8 0 "[ . 1 . 2]" 1
153 1 75 LEU H 1 76 CYS H 2.905 . 4.010 4.263 4.135 4.322 0.312 12 0 "[ . 1 . 2]" 1
154 1 34 LEU H 1 68 GLY HA3 3.140 . 4.480 3.283 3.024 3.439 . 0 0 "[ . 1 . 2]" 1
155 1 54 TRP H 1 55 CYS H 3.420 . 5.040 4.524 4.493 4.555 . 0 0 "[ . 1 . 2]" 1
156 1 42 VAL HA 1 60 THR H 3.385 . 4.970 4.916 4.562 5.141 0.171 18 0 "[ . 1 . 2]" 1
157 1 61 GLU HA 1 62 ARG H 2.380 . 2.960 3.094 3.019 3.149 0.189 18 0 "[ . 1 . 2]" 1
158 1 65 PRO HA 1 66 GLN H 2.180 . 2.560 2.339 2.258 2.418 . 0 0 "[ . 1 . 2]" 1
159 1 65 PRO HB2 1 66 GLN H 2.920 . 4.040 3.131 2.629 3.412 . 0 0 "[ . 1 . 2]" 1
160 1 65 PRO HB3 1 66 GLN H 2.920 . 4.040 2.932 2.720 3.279 . 0 0 "[ . 1 . 2]" 1
161 1 57 VAL H 1 68 GLY H 2.410 . 3.020 2.719 2.518 2.843 . 0 0 "[ . 1 . 2]" 1
162 1 20 THR HB 1 21 VAL H 3.075 . 4.350 3.929 3.795 4.044 . 0 0 "[ . 1 . 2]" 1
163 1 28 ALA H 1 36 ILE H 3.420 . 5.040 4.722 4.651 4.805 . 0 0 "[ . 1 . 2]" 1
164 1 54 TRP H 1 72 SER H 2.780 . 3.760 3.818 3.721 3.879 0.119 7 0 "[ . 1 . 2]" 1
165 1 26 PHE HB3 1 27 SER H 2.830 . 3.860 3.632 3.586 3.658 . 0 0 "[ . 1 . 2]" 1
166 1 26 PHE H 1 35 SER HA 3.060 . 4.320 4.403 4.390 4.420 0.100 5 0 "[ . 1 . 2]" 1
167 1 25 ASP H 1 37 GLN HA 3.000 . 4.200 4.116 4.049 4.222 0.022 14 0 "[ . 1 . 2]" 1
168 1 27 SER HA 1 35 SER H 2.890 . 3.980 4.148 4.108 4.173 0.193 1 0 "[ . 1 . 2]" 1
169 1 45 LEU HB3 1 46 GLU H 2.720 . 3.640 3.624 3.492 3.706 0.066 4 0 "[ . 1 . 2]" 1
170 1 55 CYS H 1 72 SER HA 3.000 . 4.200 4.316 4.277 4.351 0.151 2 0 "[ . 1 . 2]" 1
171 1 55 CYS H 1 69 LEU HA 3.420 . 5.040 5.011 4.949 5.052 0.012 11 0 "[ . 1 . 2]" 1
172 1 18 GLU HB2 1 19 LEU H 2.830 . 3.860 3.943 3.927 3.959 0.099 8 0 "[ . 1 . 2]" 1
173 1 23 LEU H 1 76 CYS H 3.245 . 4.690 4.262 3.469 4.742 0.052 7 0 "[ . 1 . 2]" 1
174 1 30 HIS H 1 33 GLU HA 3.140 . 4.480 4.533 4.516 4.562 0.082 4 0 "[ . 1 . 2]" 1
175 1 29 ALA H 1 33 GLU H 2.985 . 4.170 4.233 4.194 4.275 0.105 3 0 "[ . 1 . 2]" 1
176 1 25 ASP HA 1 37 GLN H 2.845 . 3.890 4.027 3.996 4.062 0.172 18 0 "[ . 1 . 2]" 1
177 1 41 THR H 1 42 VAL H 3.000 . 4.200 4.263 4.185 4.316 0.116 11 0 "[ . 1 . 2]" 1
178 1 20 THR H 1 44 LEU H 3.140 . 4.480 3.471 3.238 3.668 . 0 0 "[ . 1 . 2]" 1
179 1 53 GLY HA2 1 54 TRP H 2.485 . 3.170 3.307 3.256 3.360 0.190 7 0 "[ . 1 . 2]" 1
180 1 54 TRP H 1 71 PRO HA 3.420 . 5.040 4.480 4.427 4.581 . 0 0 "[ . 1 . 2]" 1
181 1 55 CYS H 1 72 SER H 3.000 . 4.200 3.497 3.437 3.614 . 0 0 "[ . 1 . 2]" 1
182 1 56 LEU HB3 1 57 VAL H 2.830 . 3.860 2.579 2.544 2.620 . 0 0 "[ . 1 . 2]" 1
183 1 42 VAL HA 1 58 ARG H 3.170 . 4.540 4.645 4.503 4.741 0.201 10 0 "[ . 1 . 2]" 1
184 1 23 LEU H 1 75 LEU HA 2.610 . 3.420 2.860 2.697 3.243 . 0 0 "[ . 1 . 2]" 1
185 1 22 VAL HA 1 76 CYS H 2.795 . 3.790 3.485 2.873 3.890 0.100 16 0 "[ . 1 . 2]" 1
186 1 54 TRP HA 1 72 SER H 2.300 . 2.800 1.978 1.897 2.084 . 0 0 "[ . 1 . 2]" 1
187 1 72 SER H 1 72 SER HB2 2.240 . 2.680 2.557 2.383 2.737 0.057 20 0 "[ . 1 . 2]" 1
188 1 72 SER H 1 72 SER HB3 2.240 . 2.680 2.507 2.313 2.695 0.015 8 0 "[ . 1 . 2]" 1
189 1 25 ASP H 1 26 PHE H 3.140 . 4.480 4.577 4.569 4.581 0.101 3 0 "[ . 1 . 2]" 1
190 1 25 ASP H 1 38 VAL H 2.705 . 3.610 3.243 3.144 3.488 . 0 0 "[ . 1 . 2]" 1
191 1 26 PHE H 1 27 SER H 3.140 . 4.480 4.359 4.352 4.369 . 0 0 "[ . 1 . 2]" 1
192 1 32 SER HA 1 33 GLU H 2.410 . 3.020 2.816 2.749 2.905 . 0 0 "[ . 1 . 2]" 1
193 1 67 GLU H 1 68 GLY H 3.245 . 4.690 4.395 4.343 4.461 . 0 0 "[ . 1 . 2]" 1
194 1 36 ILE H 1 37 GLN H 3.000 . 4.200 4.415 4.398 4.431 0.231 2 0 "[ . 1 . 2]" 1
195 1 22 VAL HA 1 24 GLN H 2.830 . 3.860 3.757 3.684 3.863 0.003 8 0 "[ . 1 . 2]" 1
196 1 19 LEU HA 1 44 LEU H 3.030 . 4.260 3.441 3.362 3.652 . 0 0 "[ . 1 . 2]" 1
197 1 46 GLU H 1 47 ARG H 2.890 . 3.980 4.202 4.143 4.297 0.317 16 0 "[ . 1 . 2]" 1
198 1 46 GLU H 1 56 LEU H 2.830 . 3.860 3.892 3.801 3.926 0.066 2 0 "[ . 1 . 2]" 1
199 1 53 GLY H 1 54 TRP H 2.985 . 4.170 2.116 1.964 2.249 . 0 0 "[ . 1 . 2]" 1
200 1 27 SER H 1 35 SER HA 3.090 . 4.380 4.214 4.154 4.255 . 0 0 "[ . 1 . 2]" 1
201 1 28 ALA H 1 35 SER H 3.000 . 4.200 3.416 3.375 3.439 . 0 0 "[ . 1 . 2]" 1
202 1 28 ALA HA 1 34 LEU H 2.610 . 3.420 3.066 2.935 3.139 . 0 0 "[ . 1 . 2]" 1
203 1 44 LEU HB2 1 45 LEU H 3.420 . 5.040 2.648 2.599 2.709 . 0 0 "[ . 1 . 2]" 1
204 1 57 VAL H 1 69 LEU HA 2.765 . 3.730 3.465 3.301 3.580 . 0 0 "[ . 1 . 2]" 1
205 1 66 GLN H 1 67 GLU HA 3.090 . 4.380 4.580 4.548 4.602 0.222 6 0 "[ . 1 . 2]" 1
206 1 69 LEU H 1 70 VAL H 3.420 . 5.040 4.242 4.180 4.301 . 0 0 "[ . 1 . 2]" 1
207 1 30 HIS H 1 33 GLU H 2.890 . 3.980 3.987 3.925 4.021 0.041 20 0 "[ . 1 . 2]" 1
208 1 50 GLU H 1 51 ARG H 2.410 . 3.020 2.260 1.990 2.372 . 0 0 "[ . 1 . 2]" 1
209 1 50 GLU HA 1 51 ARG H 2.625 . 3.450 3.476 3.467 3.482 0.032 19 0 "[ . 1 . 2]" 1
210 1 50 GLU HB3 1 51 ARG H 2.705 . 3.610 3.775 3.735 3.963 0.353 9 0 "[ . 1 . 2]" 1
211 1 48 PRO HA 1 50 GLU H 3.420 . 5.040 3.873 3.564 3.956 . 0 0 "[ . 1 . 2]" 1
212 1 49 SER HA 1 50 GLU H 2.505 . 3.210 3.487 3.455 3.496 0.286 5 0 "[ . 1 . 2]" 1
213 1 50 GLU H 1 50 GLU HB2 2.550 . 3.300 3.560 3.538 3.613 0.313 4 0 "[ . 1 . 2]" 1
214 1 50 GLU H 1 50 GLU HB3 2.595 . 3.390 2.560 2.442 3.157 . 0 0 "[ . 1 . 2]" 1
215 1 21 VAL HA 1 42 VAL H 2.425 . 3.050 3.066 2.907 3.118 0.068 12 0 "[ . 1 . 2]" 1
216 1 73 SER H 1 74 THR H 2.610 . 3.420 2.679 2.646 2.763 . 0 0 "[ . 1 . 2]" 1
217 1 59 THR H 1 65 PRO HA 2.890 . 3.980 4.267 4.193 4.345 0.365 5 0 "[ . 1 . 2]" 1
218 1 33 GLU HA 1 69 LEU H 2.440 . 3.080 2.651 2.410 2.847 . 0 0 "[ . 1 . 2]" 1
219 1 50 GLU HB2 1 51 ARG H 2.795 . 3.790 3.780 3.389 3.901 0.111 10 0 "[ . 1 . 2]" 1
220 1 77 ILE H 1 77 ILE HB 2.830 . 3.860 3.807 3.701 3.890 0.030 19 0 "[ . 1 . 2]" 1
221 1 76 CYS HA 1 77 ILE H 2.410 . 3.020 2.165 2.137 2.288 . 0 0 "[ . 1 . 2]" 1
222 1 61 GLU H 1 61 GLU HB3 2.860 . 3.920 3.189 2.619 3.652 . 0 0 "[ . 1 . 2]" 1
223 1 61 GLU H 1 61 GLU HB2 2.860 . 3.920 2.738 2.209 3.645 . 0 0 "[ . 1 . 2]" 1
224 1 45 LEU H 1 46 GLU HA 3.420 . 5.040 5.074 4.967 5.132 0.092 6 0 "[ . 1 . 2]" 1
225 1 60 THR H 1 62 ARG H 2.830 . 3.860 3.918 3.873 3.975 0.115 18 0 "[ . 1 . 2]" 1
226 1 76 CYS HB2 1 77 ILE H 3.450 . 5.100 4.260 3.246 4.552 . 0 0 "[ . 1 . 2]" 1
227 1 17 CYS HB3 1 18 GLU H 2.830 . 3.860 3.920 3.891 3.953 0.093 5 0 "[ . 1 . 2]" 1
228 1 74 THR H 1 75 LEU H 2.380 . 2.960 2.315 2.217 2.625 . 0 0 "[ . 1 . 2]" 1
229 1 70 VAL HB 1 74 THR H 2.860 . 3.920 3.965 3.660 4.022 0.102 15 0 "[ . 1 . 2]" 1
230 1 76 CYS HB3 1 77 ILE H 3.450 . 5.100 4.085 3.764 4.283 . 0 0 "[ . 1 . 2]" 1
231 1 69 LEU HB2 1 70 VAL H 3.420 . 5.040 4.316 4.206 4.347 . 0 0 "[ . 1 . 2]" 1
232 1 34 LEU H 1 68 GLY HA2 3.140 . 4.480 2.986 2.776 3.260 . 0 0 "[ . 1 . 2]" 1
233 1 68 GLY HA2 1 69 LEU H 2.425 . 3.050 2.398 2.256 2.584 . 0 0 "[ . 1 . 2]" 1
234 1 48 PRO HA 1 54 TRP H 2.890 . 3.980 4.001 3.960 4.050 0.070 5 0 "[ . 1 . 2]" 1
235 1 31 SER HA 1 33 GLU H 3.185 . 4.570 4.086 3.917 4.194 . 0 0 "[ . 1 . 2]" 1
236 1 32 SER H 1 33 GLU H 2.890 . 3.980 3.188 3.042 3.269 . 0 0 "[ . 1 . 2]" 1
237 1 28 ALA HA 1 30 HIS H 2.830 . 3.860 3.756 3.659 3.887 0.027 13 0 "[ . 1 . 2]" 1
238 1 52 PRO HA 1 54 TRP H 2.675 . 3.550 3.651 3.591 3.734 0.184 16 0 "[ . 1 . 2]" 1
239 1 23 LEU H 1 23 LEU HG 2.780 . 3.760 2.005 1.975 2.186 . 0 0 "[ . 1 . 2]" 1
240 1 34 LEU H 1 34 LEU HG 2.580 . 3.360 2.481 2.412 2.534 . 0 0 "[ . 1 . 2]" 1
241 1 36 ILE H 1 36 ILE HG12 2.690 . 3.580 2.940 2.245 3.537 . 0 0 "[ . 1 . 2]" 1
242 1 36 ILE H 1 36 ILE HG13 2.690 . 3.580 2.700 1.903 3.655 0.075 17 0 "[ . 1 . 2]" 1
243 1 37 GLN H 1 37 GLN HG2 3.650 . 5.500 4.773 4.758 4.802 . 0 0 "[ . 1 . 2]" 1
244 1 37 GLN H 1 37 GLN HG3 3.650 . 5.500 3.867 3.842 3.961 . 0 0 "[ . 1 . 2]" 1
245 1 40 GLN H 1 40 GLN HG2 2.815 . 3.830 2.198 2.023 2.372 . 0 0 "[ . 1 . 2]" 1
246 1 40 GLN H 1 40 GLN HG3 2.815 . 3.830 3.436 3.136 3.618 . 0 0 "[ . 1 . 2]" 1
247 1 43 GLU H 1 43 GLU HG2 2.905 . 4.010 2.008 1.988 2.068 . 0 0 "[ . 1 . 2]" 1
248 1 43 GLU H 1 43 GLU HG3 2.905 . 4.010 3.329 3.206 3.419 . 0 0 "[ . 1 . 2]" 1
249 1 44 LEU H 1 44 LEU HG 2.720 . 3.640 2.016 1.887 3.748 0.108 8 0 "[ . 1 . 2]" 1
250 1 45 LEU H 1 45 LEU HG 3.650 . 5.500 1.942 1.885 1.971 . 0 0 "[ . 1 . 2]" 1
251 1 56 LEU H 1 56 LEU HG 3.650 . 5.500 4.374 4.270 4.416 . 0 0 "[ . 1 . 2]" 1
252 1 69 LEU H 1 69 LEU HG 3.650 . 5.500 4.359 4.238 4.396 . 0 0 "[ . 1 . 2]" 1
253 1 75 LEU H 1 75 LEU HG 3.110 . 4.420 3.327 3.203 3.473 . 0 0 "[ . 1 . 2]" 1
254 1 77 ILE H 1 77 ILE HG13 3.060 . 4.320 3.032 2.000 4.045 . 0 0 "[ . 1 . 2]" 1
255 1 26 PHE H 1 36 ILE HG12 2.860 . 3.920 3.246 2.317 4.023 0.103 8 0 "[ . 1 . 2]" 1
256 1 26 PHE H 1 36 ILE HG13 2.860 . 3.920 3.174 2.394 3.974 0.054 17 0 "[ . 1 . 2]" 1
257 1 26 PHE QD 1 27 SER H 4.400 . 7.000 3.011 2.943 3.073 . 0 0 "[ . 1 . 2]" 1
258 1 26 PHE QD 1 36 ILE H 4.060 . 6.320 3.915 3.831 4.080 . 0 0 "[ . 1 . 2]" 1
259 1 26 PHE HB3 1 36 ILE H 3.000 . 4.200 3.125 3.095 3.162 . 0 0 "[ . 1 . 2]" 1
260 1 37 GLN HG3 1 38 VAL H 2.815 . 3.830 3.817 3.673 3.836 0.006 9 0 "[ . 1 . 2]" 1
261 1 22 VAL HB 1 39 GLY H 3.030 . 4.260 4.174 4.009 4.266 0.006 15 0 "[ . 1 . 2]" 1
262 1 54 TRP H 1 54 TRP HD1 2.410 . 3.020 2.241 2.164 2.329 . 0 0 "[ . 1 . 2]" 1
263 1 56 LEU HG 1 57 VAL H 2.750 . 3.700 3.729 3.645 3.780 0.080 8 0 "[ . 1 . 2]" 1
264 1 45 LEU HG 1 58 ARG H 2.905 . 4.010 4.097 4.052 4.155 0.145 2 0 "[ . 1 . 2]" 1
265 1 56 LEU HG 1 68 GLY H 3.325 . 4.850 4.853 4.755 4.905 0.055 8 0 "[ . 1 . 2]" 1
266 1 74 THR H 1 75 LEU HG 3.030 . 4.260 4.299 4.269 4.327 0.067 3 0 "[ . 1 . 2]" 1
267 1 23 LEU HG 1 76 CYS H 3.200 . 4.600 4.042 3.240 4.600 . 0 0 "[ . 1 . 2]" 1
268 1 75 LEU HG 1 76 CYS H 3.650 . 5.500 4.418 4.277 4.639 . 0 0 "[ . 1 . 2]" 1
269 1 40 GLN HE21 1 40 GLN HG3 2.830 . 3.860 2.284 2.118 3.523 . 0 0 "[ . 1 . 2]" 1
270 1 28 ALA H 1 35 SER HB3 3.110 . 4.420 2.876 2.773 2.936 . 0 0 "[ . 1 . 2]" 1
271 1 26 PHE QD 1 28 ALA H 4.305 . 6.810 4.043 3.894 4.315 . 0 0 "[ . 1 . 2]" 1
272 1 37 GLN HG2 1 38 VAL H 2.815 . 3.830 3.796 3.747 3.835 0.005 5 0 "[ . 1 . 2]" 1
273 1 26 PHE QD 1 34 LEU H 3.965 . 6.130 4.055 3.952 4.115 . 0 0 "[ . 1 . 2]" 1
274 1 25 ASP HB2 1 38 VAL H 3.310 . 4.820 4.318 4.236 4.489 . 0 0 "[ . 1 . 2]" 1
275 1 25 ASP HB3 1 38 VAL H 3.310 . 4.820 3.085 3.005 3.193 . 0 0 "[ . 1 . 2]" 1
276 1 55 CYS H 1 75 LEU HG 3.650 . 5.500 5.571 5.529 5.619 0.119 8 0 "[ . 1 . 2]" 1
277 1 54 TRP HE3 1 55 CYS H 2.875 . 3.950 4.096 4.056 4.173 0.223 8 0 "[ . 1 . 2]" 1
278 1 25 ASP H 1 38 VAL HB 2.225 . 2.650 2.675 2.651 2.705 0.055 9 0 "[ . 1 . 2]" 1
279 1 26 PHE HB2 1 36 ILE H 3.110 . 4.420 4.542 4.525 4.560 0.140 12 0 "[ . 1 . 2]" 1
280 1 54 TRP H 1 54 TRP HE1 3.650 . 5.500 4.790 4.722 4.860 . 0 0 "[ . 1 . 2]" 1
281 1 51 ARG HD2 1 54 TRP HE1 3.650 . 5.500 5.031 4.294 5.517 0.017 20 0 "[ . 1 . 2]" 1
282 1 40 GLN HE21 1 40 GLN HG2 2.830 . 3.860 3.105 2.709 3.271 . 0 0 "[ . 1 . 2]" 1
283 1 40 GLN HE22 1 40 GLN HG3 2.830 . 3.860 3.510 3.435 4.060 0.200 14 0 "[ . 1 . 2]" 1
284 1 40 GLN HE22 1 40 GLN HG2 2.830 . 3.860 3.869 3.672 3.945 0.085 19 0 "[ . 1 . 2]" 1
285 1 37 GLN HB2 1 37 GLN HE22 4.525 . 7.250 4.022 3.350 4.376 . 0 0 "[ . 1 . 2]" 1
286 1 37 GLN HB3 1 37 GLN HE22 4.525 . 7.250 4.810 4.199 5.223 . 0 0 "[ . 1 . 2]" 1
287 1 66 GLN HB2 1 66 GLN HE22 4.015 . 6.230 4.147 3.616 4.814 . 0 0 "[ . 1 . 2]" 1
288 1 66 GLN HB3 1 66 GLN HE22 4.015 . 6.230 3.643 3.278 4.339 . 0 0 "[ . 1 . 2]" 1
289 1 66 GLN HB3 1 66 GLN HE21 4.015 . 6.230 2.540 1.983 3.968 . 0 0 "[ . 1 . 2]" 1
290 1 24 GLN H 1 74 THR HB 2.970 . 4.140 2.860 2.614 2.939 . 0 0 "[ . 1 . 2]" 1
291 1 54 TRP HD1 1 72 SER H 3.495 . 5.190 5.286 5.238 5.329 0.139 8 0 "[ . 1 . 2]" 1
292 1 58 ARG HE 1 67 GLU HB3 3.060 . 4.320 2.996 2.765 3.490 . 0 0 "[ . 1 . 2]" 1
293 1 18 GLU HB3 1 44 LEU H 3.015 . 4.230 3.894 3.743 4.111 . 0 0 "[ . 1 . 2]" 1
294 1 58 ARG HE 1 67 GLU HB2 3.060 . 4.320 4.436 4.371 4.505 0.185 6 0 "[ . 1 . 2]" 1
295 1 26 PHE H 1 36 ILE HB 3.435 . 5.070 4.135 3.964 4.303 . 0 0 "[ . 1 . 2]" 1
296 1 33 GLU H 1 34 LEU HG 3.280 . 4.760 4.961 4.912 5.013 0.253 8 0 "[ . 1 . 2]" 1
297 1 51 ARG HD3 1 54 TRP HE1 3.650 . 5.500 4.935 4.199 5.516 0.016 7 0 "[ . 1 . 2]" 1
298 1 44 LEU HB3 1 56 LEU H 2.610 . 3.420 3.325 3.157 3.442 0.022 10 0 "[ . 1 . 2]" 1
299 1 34 LEU HG 1 57 VAL H 3.650 . 5.500 5.690 5.638 5.774 0.274 12 0 "[ . 1 . 2]" 1
300 1 58 ARG HA 1 58 ARG HE 3.090 . 4.380 2.384 1.946 2.976 . 0 0 "[ . 1 . 2]" 1
301 1 55 CYS HB2 1 70 VAL H 3.650 . 5.500 5.475 5.088 5.609 0.109 12 0 "[ . 1 . 2]" 1
302 1 55 CYS HB3 1 70 VAL H 3.650 . 5.500 4.791 4.622 5.248 . 0 0 "[ . 1 . 2]" 1
303 1 23 LEU HG 1 74 THR H 3.110 . 4.420 4.438 4.428 4.473 0.053 8 0 "[ . 1 . 2]" 1
304 1 51 ARG H 1 51 ARG HG3 3.650 . 5.500 3.574 2.384 4.640 . 0 0 "[ . 1 . 2]" 1
305 1 51 ARG H 1 51 ARG HG2 3.650 . 5.500 3.043 1.975 4.714 . 0 0 "[ . 1 . 2]" 1
306 1 21 VAL H 1 76 CYS HB2 3.650 . 5.500 2.151 1.980 3.635 . 0 0 "[ . 1 . 2]" 1
307 1 21 VAL H 1 76 CYS HB3 3.650 . 5.500 2.797 1.988 3.715 . 0 0 "[ . 1 . 2]" 1
308 1 58 ARG HE 1 59 THR H 3.650 . 5.500 2.744 1.979 2.974 . 0 0 "[ . 1 . 2]" 1
309 1 77 ILE H 1 77 ILE HG12 3.060 . 4.320 2.923 2.044 3.615 . 0 0 "[ . 1 . 2]" 1
310 1 54 TRP H 1 54 TRP HE3 3.650 . 5.500 5.606 5.574 5.640 0.140 15 0 "[ . 1 . 2]" 1
311 1 19 LEU H 1 19 LEU HG 2.395 . 2.990 2.040 1.933 2.084 . 0 0 "[ . 1 . 2]" 1
312 1 24 GLN H 1 38 VAL HB 3.325 . 4.850 3.971 3.828 4.103 . 0 0 "[ . 1 . 2]" 1
313 1 56 LEU HG 1 69 LEU H 3.510 . 5.220 5.292 5.253 5.382 0.162 16 0 "[ . 1 . 2]" 1
314 1 54 TRP HB2 1 72 SER H 3.650 . 5.500 4.229 4.130 4.344 . 0 0 "[ . 1 . 2]" 1
315 1 42 VAL HB 1 58 ARG H 3.650 . 5.500 4.521 4.119 4.650 . 0 0 "[ . 1 . 2]" 1
316 1 19 LEU H 1 19 LEU MD1 3.605 . 5.410 3.665 3.004 3.725 . 0 0 "[ . 1 . 2]" 1
317 1 19 LEU H 1 19 LEU MD2 3.605 . 5.410 2.379 2.183 3.514 . 0 0 "[ . 1 . 2]" 1
318 1 20 THR H 1 20 THR MG 3.155 . 4.510 2.635 2.275 3.894 . 0 0 "[ . 1 . 2]" 1
319 1 22 VAL H 1 22 VAL MG1 2.940 . 4.080 2.997 2.759 3.096 . 0 0 "[ . 1 . 2]" 1
320 1 22 VAL H 1 22 VAL MG2 2.940 . 4.080 1.905 1.878 1.920 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU H 1 23 LEU MD1 3.775 . 5.750 3.663 3.638 3.798 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU H 1 23 LEU MD2 3.775 . 5.750 2.436 2.260 2.792 . 0 0 "[ . 1 . 2]" 1
323 1 28 ALA H 1 28 ALA MB 2.675 . 3.550 2.081 2.058 2.099 . 0 0 "[ . 1 . 2]" 1
324 1 29 ALA H 1 29 ALA MB 2.740 . 3.680 2.958 2.911 2.984 . 0 0 "[ . 1 . 2]" 1
325 1 34 LEU H 1 34 LEU MD1 3.390 . 4.980 2.739 2.535 2.903 . 0 0 "[ . 1 . 2]" 1
326 1 34 LEU H 1 34 LEU MD2 3.390 . 4.980 4.064 4.010 4.103 . 0 0 "[ . 1 . 2]" 1
327 1 36 ILE H 1 36 ILE MG 2.910 . 4.020 3.203 2.987 3.376 . 0 0 "[ . 1 . 2]" 1
328 1 36 ILE H 1 36 ILE MD 3.015 . 4.230 2.722 2.037 3.429 . 0 0 "[ . 1 . 2]" 1
329 1 38 VAL H 1 38 VAL MG1 3.125 . 4.450 1.997 1.940 2.122 . 0 0 "[ . 1 . 2]" 1
330 1 38 VAL H 1 38 VAL MG2 3.125 . 4.450 3.757 3.752 3.762 . 0 0 "[ . 1 . 2]" 1
331 1 44 LEU H 1 44 LEU MD1 3.545 . 5.290 3.268 1.905 3.663 . 0 0 "[ . 1 . 2]" 1
332 1 44 LEU H 1 44 LEU MD2 3.545 . 5.290 3.081 2.252 3.505 . 0 0 "[ . 1 . 2]" 1
333 1 45 LEU H 1 45 LEU MD1 4.165 . 6.530 3.367 3.313 3.426 . 0 0 "[ . 1 . 2]" 1
334 1 45 LEU H 1 45 LEU MD2 4.165 . 6.530 3.223 3.163 3.337 . 0 0 "[ . 1 . 2]" 1
335 1 56 LEU H 1 56 LEU MD1 3.125 . 4.450 2.527 2.487 2.573 . 0 0 "[ . 1 . 2]" 1
336 1 56 LEU H 1 56 LEU MD2 3.125 . 4.450 3.729 3.680 3.777 . 0 0 "[ . 1 . 2]" 1
337 1 57 VAL H 1 57 VAL MG1 2.970 . 4.140 3.477 3.419 3.512 . 0 0 "[ . 1 . 2]" 1
338 1 57 VAL H 1 57 VAL MG2 2.970 . 4.140 2.092 1.961 2.272 . 0 0 "[ . 1 . 2]" 1
339 1 59 THR H 1 59 THR MG 3.050 . 4.300 2.738 1.951 3.756 . 0 0 "[ . 1 . 2]" 1
340 1 60 THR H 1 60 THR MG 3.310 . 4.820 2.961 1.966 3.853 . 0 0 "[ . 1 . 2]" 1
341 1 74 THR H 1 74 THR MG 2.705 . 3.610 1.930 1.898 1.950 . 0 0 "[ . 1 . 2]" 1
342 1 26 PHE H 1 36 ILE MD 3.155 . 4.510 2.678 1.935 3.554 . 0 0 "[ . 1 . 2]" 1
343 1 26 PHE H 1 36 ILE MG 4.165 . 6.530 4.687 4.583 4.804 . 0 0 "[ . 1 . 2]" 1
344 1 29 ALA MB 1 30 HIS H 2.740 . 3.680 2.824 2.696 2.929 . 0 0 "[ . 1 . 2]" 1
345 1 28 ALA MB 1 35 SER H 3.015 . 4.230 3.159 3.145 3.173 . 0 0 "[ . 1 . 2]" 1
346 1 34 LEU MD2 1 35 SER H 3.840 . 5.880 4.518 4.460 4.573 . 0 0 "[ . 1 . 2]" 1
347 1 34 LEU MD1 1 35 SER H 3.840 . 5.880 3.729 3.675 3.803 . 0 0 "[ . 1 . 2]" 1
348 1 41 THR MG 1 42 VAL H 3.065 . 4.330 2.663 2.400 2.998 . 0 0 "[ . 1 . 2]" 1
349 1 41 THR MG 1 43 GLU H 3.265 . 4.730 4.116 3.998 4.153 . 0 0 "[ . 1 . 2]" 1
350 1 42 VAL MG2 1 43 GLU H 3.360 . 4.920 3.218 2.874 4.135 . 0 0 "[ . 1 . 2]" 1
351 1 42 VAL MG1 1 43 GLU H 3.360 . 4.920 2.443 2.265 2.664 . 0 0 "[ . 1 . 2]" 1
352 1 69 LEU H 1 70 VAL QG 4.370 . 6.940 3.425 3.275 3.570 . 0 0 "[ . 1 . 2]" 1
353 1 59 THR MG 1 60 THR H 3.325 . 4.850 3.507 2.691 4.103 . 0 0 "[ . 1 . 2]" 1
354 1 59 THR MG 1 66 GLN H 2.955 . 4.110 2.461 1.823 3.594 . 0 0 "[ . 1 . 2]" 1
355 1 34 LEU MD1 1 68 GLY H 3.840 . 5.880 3.319 2.844 3.516 . 0 0 "[ . 1 . 2]" 1
356 1 74 THR MG 1 75 LEU H 3.140 . 4.480 3.799 3.741 3.871 . 0 0 "[ . 1 . 2]" 1
357 1 23 LEU MD2 1 76 CYS H 4.165 . 6.530 3.186 2.546 3.769 . 0 0 "[ . 1 . 2]" 1
358 1 20 THR MG 1 76 CYS H 3.760 . 5.720 3.488 1.869 4.107 . 0 0 "[ . 1 . 2]" 1
359 1 77 ILE MG 1 78 SER H 3.155 . 4.510 3.723 3.470 3.832 . 0 0 "[ . 1 . 2]" 1
360 1 24 GLN H 1 74 THR MG 3.265 . 4.730 4.140 4.070 4.194 . 0 0 "[ . 1 . 2]" 1
361 1 28 ALA MB 1 29 ALA H 2.830 . 3.860 2.057 2.016 2.104 . 0 0 "[ . 1 . 2]" 1
362 1 27 SER H 1 28 ALA MB 4.165 . 6.530 5.501 5.490 5.510 . 0 0 "[ . 1 . 2]" 1
363 1 27 SER H 1 36 ILE MD 4.010 . 6.220 4.644 4.079 5.125 . 0 0 "[ . 1 . 2]" 1
364 1 45 LEU MD2 1 46 GLU H 3.840 . 5.880 4.620 4.543 4.679 . 0 0 "[ . 1 . 2]" 1
365 1 34 LEU MD1 1 67 GLU H 3.590 . 5.380 4.603 4.476 4.698 . 0 0 "[ . 1 . 2]" 1
366 1 72 SER H 1 74 THR MG 3.980 . 6.160 5.071 4.986 5.120 . 0 0 "[ . 1 . 2]" 1
367 1 28 ALA MB 1 33 GLU H 3.265 . 4.730 3.663 3.643 3.694 . 0 0 "[ . 1 . 2]" 1
368 1 34 LEU MD2 1 59 THR H 3.980 . 6.160 3.661 3.264 4.184 . 0 0 "[ . 1 . 2]" 1
369 1 34 LEU MD2 1 68 GLY H 3.840 . 5.880 3.246 3.147 3.449 . 0 0 "[ . 1 . 2]" 1
370 1 23 LEU MD1 1 76 CYS H 4.165 . 6.530 4.605 4.057 5.021 . 0 0 "[ . 1 . 2]" 1
371 1 34 LEU MD2 1 67 GLU H 3.590 . 5.380 2.183 2.070 2.350 . 0 0 "[ . 1 . 2]" 1
372 1 45 LEU MD2 1 68 GLY H 3.125 . 4.450 3.516 3.414 3.579 . 0 0 "[ . 1 . 2]" 1
373 1 75 LEU H 1 77 ILE MG 3.250 . 4.700 3.843 3.713 3.943 . 0 0 "[ . 1 . 2]" 1
374 1 73 SER H 1 74 THR MG 4.025 . 6.250 3.665 3.600 3.769 . 0 0 "[ . 1 . 2]" 1
375 1 20 THR MG 1 21 VAL H 4.165 . 6.530 3.422 1.954 3.906 . 0 0 "[ . 1 . 2]" 1
376 1 77 ILE H 1 77 ILE MD 3.360 . 4.920 3.089 1.878 3.999 . 0 0 "[ . 1 . 2]" 1
377 1 28 ALA MB 1 30 HIS H 3.080 . 4.360 3.472 3.444 3.498 . 0 0 "[ . 1 . 2]" 1
378 1 45 LEU MD1 1 46 GLU H 3.840 . 5.880 3.928 3.718 4.014 . 0 0 "[ . 1 . 2]" 1
379 1 45 LEU MD1 1 68 GLY H 3.125 . 4.450 3.010 2.778 3.350 . 0 0 "[ . 1 . 2]" 1
380 1 20 THR H 1 41 THR MG 4.165 . 6.530 3.072 2.933 3.273 . 0 0 "[ . 1 . 2]" 1
381 1 34 LEU MD1 1 59 THR H 3.980 . 6.160 4.855 4.484 5.097 . 0 0 "[ . 1 . 2]" 1
382 1 41 THR HA 1 41 THR HB 2.395 . 2.990 3.015 3.011 3.019 0.029 9 0 "[ . 1 . 2]" 1
383 1 50 GLU HA 1 50 GLU HB3 2.350 . 2.900 2.476 2.297 2.529 . 0 0 "[ . 1 . 2]" 1
384 1 74 THR HA 1 74 THR HB 2.410 . 3.020 2.275 2.231 2.301 . 0 0 "[ . 1 . 2]" 1
385 1 24 GLN HA 1 24 GLN HB3 2.380 . 2.960 2.568 2.527 2.641 . 0 0 "[ . 1 . 2]" 1
386 1 27 SER HA 1 27 SER HB2 2.410 . 3.020 2.674 2.672 2.675 . 0 0 "[ . 1 . 2]" 1
387 1 42 VAL HA 1 42 VAL HB 2.335 . 2.870 2.938 2.893 3.012 0.142 9 0 "[ . 1 . 2]" 1
388 1 50 GLU HA 1 50 GLU HB2 2.410 . 3.020 2.389 2.325 2.581 . 0 0 "[ . 1 . 2]" 1
389 1 59 THR HA 1 59 THR HB 2.335 . 2.870 2.650 2.364 2.993 0.123 20 0 "[ . 1 . 2]" 1
390 1 27 SER HA 1 27 SER HB3 2.410 . 3.020 2.287 2.284 2.289 . 0 0 "[ . 1 . 2]" 1
391 1 35 SER HA 1 35 SER HB3 2.410 . 3.020 2.297 2.287 2.310 . 0 0 "[ . 1 . 2]" 1
392 1 35 SER HA 1 35 SER HB2 2.380 . 2.960 2.648 2.617 2.673 . 0 0 "[ . 1 . 2]" 1
393 1 60 THR HA 1 60 THR HB 2.335 . 2.870 2.619 2.355 2.942 0.072 7 0 "[ . 1 . 2]" 1
394 1 23 LEU HA 1 38 VAL HA 3.155 . 4.510 3.976 3.907 4.064 . 0 0 "[ . 1 . 2]" 1
395 1 21 VAL HA 1 41 THR HA 2.425 . 3.050 2.348 2.248 2.532 . 0 0 "[ . 1 . 2]" 1
396 1 44 LEU HA 1 57 VAL HA 2.845 . 3.890 2.468 2.280 2.743 . 0 0 "[ . 1 . 2]" 1
397 1 27 SER HA 1 35 SER HA 2.395 . 2.990 1.923 1.907 1.944 . 0 0 "[ . 1 . 2]" 1
398 1 25 ASP HA 1 37 GLN HA 2.315 . 2.830 2.067 2.037 2.115 . 0 0 "[ . 1 . 2]" 1
399 1 58 ARG HA 1 67 GLU HA 2.350 . 2.900 2.111 1.921 2.331 . 0 0 "[ . 1 . 2]" 1
400 1 60 THR HA 1 65 PRO HA 2.455 . 3.110 3.172 3.078 3.221 0.111 6 0 "[ . 1 . 2]" 1
401 1 24 GLN HA 1 38 VAL HA 3.075 . 4.350 3.546 3.372 3.705 . 0 0 "[ . 1 . 2]" 1
402 1 42 VAL HA 1 43 GLU HA 2.955 . 4.110 4.242 4.223 4.278 0.168 8 0 "[ . 1 . 2]" 1
403 1 22 VAL HB 1 25 ASP HA 3.090 . 4.380 4.228 4.100 4.430 0.050 8 0 "[ . 1 . 2]" 1
404 1 34 LEU HA 1 34 LEU HG 2.830 . 3.860 3.536 3.523 3.543 . 0 0 "[ . 1 . 2]" 1
405 1 37 GLN HA 1 37 GLN HG2 2.955 . 4.110 3.081 3.044 3.253 . 0 0 "[ . 1 . 2]" 1
406 1 40 GLN HA 1 40 GLN HG2 2.690 . 3.580 3.698 3.680 3.716 0.136 14 0 "[ . 1 . 2]" 1
407 1 43 GLU HA 1 43 GLU HG2 2.985 . 4.170 3.686 3.647 3.731 . 0 0 "[ . 1 . 2]" 1
408 1 37 GLN HA 1 37 GLN HG3 2.955 . 4.110 2.143 2.111 2.154 . 0 0 "[ . 1 . 2]" 1
409 1 40 GLN HA 1 40 GLN HG3 2.690 . 3.580 3.656 3.640 3.672 0.092 18 0 "[ . 1 . 2]" 1
410 1 43 GLU HA 1 43 GLU HG3 2.985 . 4.170 3.778 3.740 3.821 . 0 0 "[ . 1 . 2]" 1
411 1 24 GLN HB2 1 74 THR HB 3.090 . 4.380 4.351 4.197 4.401 0.021 20 0 "[ . 1 . 2]" 1
412 1 24 GLN HB3 1 74 THR HB 3.400 . 5.000 3.820 3.377 4.012 . 0 0 "[ . 1 . 2]" 1
413 1 22 VAL HA 1 75 LEU HG 2.595 . 3.390 3.537 3.488 3.587 0.197 10 0 "[ . 1 . 2]" 1
414 1 27 SER HA 1 35 SER HB2 2.675 . 3.550 3.313 3.219 3.399 . 0 0 "[ . 1 . 2]" 1
415 1 63 SER HA 1 64 PRO HG3 3.650 . 5.500 5.405 4.875 5.550 0.050 17 0 "[ . 1 . 2]" 1
416 1 25 ASP HB3 1 37 GLN HA 3.310 . 4.820 1.929 1.915 1.956 . 0 0 "[ . 1 . 2]" 1
417 1 25 ASP HB2 1 37 GLN HA 3.310 . 4.820 3.561 3.547 3.592 . 0 0 "[ . 1 . 2]" 1
418 1 26 PHE QD 1 28 ALA HA 4.060 . 6.320 3.564 3.435 3.691 . 0 0 "[ . 1 . 2]" 1
419 1 26 PHE QE 1 28 ALA HA 4.725 . 7.650 2.677 2.559 2.875 . 0 0 "[ . 1 . 2]" 1
420 1 33 GLU HA 1 69 LEU HB2 3.060 . 4.320 3.699 3.659 3.729 . 0 0 "[ . 1 . 2]" 1
421 1 33 GLU HA 1 69 LEU HB3 3.540 . 5.280 5.311 5.282 5.367 0.087 8 0 "[ . 1 . 2]" 1
422 1 24 GLN HB2 1 74 THR HA 3.090 . 4.380 4.524 4.451 4.630 0.250 14 0 "[ . 1 . 2]" 1
423 1 22 VAL HB 1 38 VAL HA 3.030 . 4.260 3.208 3.057 3.339 . 0 0 "[ . 1 . 2]" 1
424 1 22 VAL HB 1 75 LEU HG 3.310 . 4.820 4.634 4.521 4.816 . 0 0 "[ . 1 . 2]" 1
425 1 27 SER HA 1 35 SER HB3 3.045 . 4.290 2.188 2.014 2.265 . 0 0 "[ . 1 . 2]" 1
426 1 27 SER HB3 1 35 SER HB3 3.650 . 5.500 3.019 2.902 3.075 . 0 0 "[ . 1 . 2]" 1
427 1 27 SER HB2 1 35 SER HB3 3.650 . 5.500 3.693 3.567 3.752 . 0 0 "[ . 1 . 2]" 1
428 1 54 TRP HA 1 54 TRP HD1 3.525 . 5.250 4.008 3.984 4.034 . 0 0 "[ . 1 . 2]" 1
429 1 79 HIS HA 1 79 HIS HD2 3.090 . 4.380 3.225 2.026 4.391 0.011 15 0 "[ . 1 . 2]" 1
430 1 43 GLU HG3 1 58 ARG HA 3.295 . 4.790 4.846 4.802 4.896 0.106 20 0 "[ . 1 . 2]" 1
431 1 24 GLN HA 1 38 VAL HB 2.935 . 4.070 1.924 1.901 1.957 . 0 0 "[ . 1 . 2]" 1
432 1 42 VAL HA 1 57 VAL HB 3.650 . 5.500 5.317 4.598 5.441 . 0 0 "[ . 1 . 2]" 1
433 1 43 GLU HG2 1 58 ARG HA 3.295 . 4.790 4.805 4.756 4.871 0.081 9 0 "[ . 1 . 2]" 1
434 1 43 GLU HG3 1 58 ARG HD2 4.075 . 6.350 4.687 3.927 5.214 . 0 0 "[ . 1 . 2]" 1
435 1 43 GLU HG2 1 58 ARG HD2 4.075 . 6.350 5.162 4.496 5.629 . 0 0 "[ . 1 . 2]" 1
436 1 63 SER HA 1 64 PRO HG2 3.650 . 5.500 5.079 4.911 5.551 0.051 19 0 "[ . 1 . 2]" 1
437 1 24 GLN HB3 1 74 THR HA 2.920 . 4.040 3.176 2.986 3.318 . 0 0 "[ . 1 . 2]" 1
438 1 24 GLN HG2 1 74 THR HA 3.650 . 5.500 2.286 1.991 3.091 . 0 0 "[ . 1 . 2]" 1
439 1 24 GLN HG3 1 74 THR HA 3.650 . 5.500 3.370 3.253 3.679 . 0 0 "[ . 1 . 2]" 1
440 1 56 LEU HA 1 56 LEU MD1 3.280 . 4.760 2.197 2.149 2.258 . 0 0 "[ . 1 . 2]" 1
441 1 36 ILE HA 1 36 ILE MD 3.295 . 4.790 3.554 3.327 3.820 . 0 0 "[ . 1 . 2]" 1
442 1 56 LEU HA 1 56 LEU MD2 3.280 . 4.760 3.821 3.803 3.841 . 0 0 "[ . 1 . 2]" 1
443 1 60 THR HA 1 60 THR MG 2.785 . 3.770 2.548 2.041 3.216 . 0 0 "[ . 1 . 2]" 1
444 1 21 VAL HA 1 41 THR MG 4.135 . 6.470 3.977 3.851 4.165 . 0 0 "[ . 1 . 2]" 1
445 1 41 THR MG 1 42 VAL HA 3.015 . 4.230 3.226 3.019 3.355 . 0 0 "[ . 1 . 2]" 1
446 1 26 PHE HA 1 36 ILE MD 3.575 . 5.350 3.982 3.715 4.225 . 0 0 "[ . 1 . 2]" 1
447 1 24 GLN HA 1 38 VAL MG1 2.985 . 4.170 3.446 3.404 3.493 . 0 0 "[ . 1 . 2]" 1
448 1 28 ALA MB 1 34 LEU HA 3.635 . 5.470 1.873 1.852 1.892 . 0 0 "[ . 1 . 2]" 1
449 1 21 VAL MG1 1 39 GLY HA2 5.040 . 8.280 4.288 4.140 4.374 . 0 0 "[ . 1 . 2]" 1
450 1 19 LEU HB3 1 41 THR MG 3.900 . 6.000 2.629 2.582 2.670 . 0 0 "[ . 1 . 2]" 1
451 1 26 PHE HB3 1 36 ILE MD 3.295 . 4.790 2.207 1.926 2.497 . 0 0 "[ . 1 . 2]" 1
452 1 42 VAL HB 1 57 VAL MG1 3.605 . 5.410 2.598 1.969 3.009 . 0 0 "[ . 1 . 2]" 1
453 1 34 LEU MD2 1 66 GLN HG3 5.675 . 9.550 3.610 3.230 4.116 . 0 0 "[ . 1 . 2]" 1
454 1 59 THR MG 1 66 GLN HB2 3.730 . 5.660 2.167 1.944 2.709 . 0 0 "[ . 1 . 2]" 1
455 1 59 THR MG 1 66 GLN HB3 3.730 . 5.660 2.605 2.046 3.516 . 0 0 "[ . 1 . 2]" 1
456 1 34 LEU MD2 1 66 GLN HB3 5.305 . 8.810 1.832 1.796 1.863 0.004 17 0 "[ . 1 . 2]" 1
457 1 24 GLN HB3 1 74 THR MG 3.295 . 4.790 3.766 3.440 3.870 . 0 0 "[ . 1 . 2]" 1
458 1 59 THR MG 1 62 ARG HB2 4.165 . 6.530 3.150 1.944 4.661 . 0 0 "[ . 1 . 2]" 1
459 1 44 LEU MD1 1 55 CYS HB2 4.790 . 7.780 6.141 4.922 6.458 . 0 0 "[ . 1 . 2]" 1
460 1 34 LEU MD1 1 59 THR MG 4.135 . 6.470 4.206 3.208 4.402 . 0 0 "[ . 1 . 2]" 1
461 1 20 THR MG 1 44 LEU HB2 3.960 . 6.120 3.764 3.399 4.677 . 0 0 "[ . 1 . 2]" 1
462 1 29 ALA MB 1 30 HIS HD2 3.775 . 5.750 3.947 1.986 4.623 . 0 0 "[ . 1 . 2]" 1
463 1 28 ALA MB 1 34 LEU MD2 4.680 . 7.560 4.846 4.792 4.897 . 0 0 "[ . 1 . 2]" 1
464 1 28 ALA MB 1 35 SER HA 3.995 . 6.190 3.948 3.914 3.989 . 0 0 "[ . 1 . 2]" 1
465 1 26 PHE QD 1 28 ALA MB 4.525 . 7.250 4.590 4.510 4.711 . 0 0 "[ . 1 . 2]" 1
466 1 26 PHE QD 1 36 ILE MG 5.005 . 8.210 4.609 4.263 4.973 . 0 0 "[ . 1 . 2]" 1
467 1 26 PHE QD 1 36 ILE MD 4.975 . 8.150 3.129 2.027 4.000 . 0 0 "[ . 1 . 2]" 1
468 1 28 ALA MB 1 33 GLU HA 3.635 . 5.470 3.688 3.661 3.721 . 0 0 "[ . 1 . 2]" 1
469 1 22 VAL MG2 1 36 ILE HB 3.945 . 6.090 2.186 2.025 2.516 . 0 0 "[ . 1 . 2]" 1
470 1 21 VAL MG1 1 41 THR MG 4.645 . 7.490 2.932 2.708 3.223 . 0 0 "[ . 1 . 2]" 1
471 1 21 VAL MG2 1 41 THR MG 4.645 . 7.490 4.659 4.319 4.872 . 0 0 "[ . 1 . 2]" 1
472 1 26 PHE HB2 1 36 ILE MD 3.390 . 4.980 2.843 2.280 3.457 . 0 0 "[ . 1 . 2]" 1
473 1 34 LEU MD2 1 67 GLU HA 3.730 . 5.660 2.648 2.399 2.743 . 0 0 "[ . 1 . 2]" 1
474 1 34 LEU MD2 1 59 THR MG 4.135 . 6.470 3.156 2.271 3.503 . 0 0 "[ . 1 . 2]" 1
475 1 34 LEU MD1 1 67 GLU HA 3.730 . 5.660 3.873 3.394 4.055 . 0 0 "[ . 1 . 2]" 1
476 1 22 VAL MG1 1 23 LEU HA 4.025 . 6.250 5.395 5.373 5.406 . 0 0 "[ . 1 . 2]" 1
477 1 22 VAL MG2 1 23 LEU HA 4.025 . 6.250 4.835 4.494 4.917 . 0 0 "[ . 1 . 2]" 1
478 1 34 LEU MD2 1 66 GLN HG2 5.675 . 9.550 2.737 1.915 3.958 . 0 0 "[ . 1 . 2]" 1
479 1 55 CYS HB2 1 57 VAL MG1 5.225 . 8.650 5.604 5.278 5.809 . 0 0 "[ . 1 . 2]" 1
480 1 55 CYS HB3 1 57 VAL MG1 5.225 . 8.650 4.196 3.896 4.347 . 0 0 "[ . 1 . 2]" 1
481 1 28 ALA MB 1 34 LEU MD1 4.680 . 7.560 4.452 4.336 4.515 . 0 0 "[ . 1 . 2]" 1
482 1 28 ALA MB 1 29 ALA HA 3.960 . 6.120 3.637 3.617 3.648 . 0 0 "[ . 1 . 2]" 1
483 1 34 LEU MD2 1 66 GLN HB2 5.305 . 8.810 3.160 3.040 3.242 . 0 0 "[ . 1 . 2]" 1
484 1 22 VAL MG1 1 36 ILE HB 3.945 . 6.090 2.733 2.466 3.039 . 0 0 "[ . 1 . 2]" 1
485 1 22 VAL MG2 1 36 ILE HA 4.025 . 6.250 4.143 4.003 4.411 . 0 0 "[ . 1 . 2]" 1
486 1 22 VAL MG1 1 36 ILE HA 4.025 . 6.250 4.942 4.737 5.104 . 0 0 "[ . 1 . 2]" 1
487 1 24 GLN HA 1 38 VAL MG2 2.985 . 4.170 2.815 2.654 2.915 . 0 0 "[ . 1 . 2]" 1
488 1 19 LEU HG 1 41 THR MG 3.855 . 5.910 5.024 4.914 5.057 . 0 0 "[ . 1 . 2]" 1
489 1 44 LEU MD1 1 55 CYS HB3 4.790 . 7.780 5.643 4.063 6.118 . 0 0 "[ . 1 . 2]" 1
490 1 55 CYS HB3 1 56 LEU MD1 5.150 . 8.500 4.340 4.212 4.442 . 0 0 "[ . 1 . 2]" 1
491 1 59 THR MG 1 62 ARG HD3 3.495 . 5.190 3.872 3.354 4.205 . 0 0 "[ . 1 . 2]" 1
492 1 59 THR MG 1 62 ARG HB3 4.165 . 6.530 2.824 1.917 3.681 . 0 0 "[ . 1 . 2]" 1
493 1 59 THR MG 1 62 ARG HD2 3.495 . 5.190 3.867 2.992 4.196 . 0 0 "[ . 1 . 2]" 1
494 1 24 GLN HA 1 74 THR MG 4.165 . 6.530 5.341 5.295 5.397 . 0 0 "[ . 1 . 2]" 1
495 1 24 GLN HG2 1 74 THR MG 4.165 . 6.530 1.874 1.841 1.946 . 0 0 "[ . 1 . 2]" 1
496 1 24 GLN HG3 1 74 THR MG 4.165 . 6.530 2.663 2.590 2.811 . 0 0 "[ . 1 . 2]" 1
497 1 20 THR MG 1 75 LEU HG 3.855 . 5.910 4.551 3.904 4.816 . 0 0 "[ . 1 . 2]" 1
498 1 21 VAL MG1 1 39 GLY HA3 5.040 . 8.280 5.352 5.187 5.411 . 0 0 "[ . 1 . 2]" 1
499 1 22 VAL MG1 1 38 VAL HA 3.805 . 5.810 4.663 4.510 4.808 . 0 0 "[ . 1 . 2]" 1
500 1 26 PHE QD 1 74 THR MG 5.240 . 8.680 3.289 3.101 3.648 . 0 0 "[ . 1 . 2]" 1
501 1 27 SER HA 1 28 ALA MB 3.900 . 6.000 3.954 3.933 3.977 . 0 0 "[ . 1 . 2]" 1
502 1 22 VAL MG2 1 38 VAL HA 3.805 . 5.810 2.823 2.433 3.126 . 0 0 "[ . 1 . 2]" 1
503 1 23 LEU HA 1 38 VAL MG1 4.165 . 6.530 5.364 5.201 5.477 . 0 0 "[ . 1 . 2]" 1
504 1 38 VAL MG2 1 39 GLY HA2 5.705 . 9.610 3.548 3.479 3.623 . 0 0 "[ . 1 . 2]" 1
505 1 23 LEU HA 1 38 VAL MG2 4.165 . 6.530 2.620 2.412 2.777 . 0 0 "[ . 1 . 2]" 1
506 1 38 VAL MG2 1 39 GLY HA3 5.705 . 9.610 3.638 3.460 3.755 . 0 0 "[ . 1 . 2]" 1
507 1 55 CYS HB2 1 56 LEU MD1 5.150 . 8.500 4.765 4.610 4.887 . 0 0 "[ . 1 . 2]" 1
508 1 42 VAL HB 1 57 VAL MG2 3.605 . 5.410 4.433 3.631 4.595 . 0 0 "[ . 1 . 2]" 1
509 1 14 SER H 1 14 SER QB 2.790 . 3.780 2.803 2.126 3.406 . 0 0 "[ . 1 . 2]" 1
510 1 16 GLY H 1 16 GLY QA 2.240 . 2.680 2.347 2.199 2.502 . 0 0 "[ . 1 . 2]" 1
511 1 16 GLY QA 1 17 CYS H 2.485 . 3.170 2.390 2.109 2.805 . 0 0 "[ . 1 . 2]" 1
512 1 17 CYS H 1 44 LEU QD 4.610 . 7.420 5.050 4.925 5.352 . 0 0 "[ . 1 . 2]" 1
513 1 18 GLU H 1 18 GLU QG 4.095 . 6.390 4.075 4.051 4.132 . 0 0 "[ . 1 . 2]" 1
514 1 18 GLU H 1 43 GLU QB 3.660 . 5.520 3.266 3.088 3.392 . 0 0 "[ . 1 . 2]" 1
515 1 18 GLU H 1 44 LEU QD 4.935 . 8.070 2.205 1.833 2.783 . 0 0 "[ . 1 . 2]" 1
516 1 18 GLU HA 1 18 GLU QG 2.795 . 3.790 2.590 2.378 3.054 . 0 0 "[ . 1 . 2]" 1
517 1 18 GLU HB2 1 18 GLU QG 2.225 . 2.650 2.397 2.302 2.474 . 0 0 "[ . 1 . 2]" 1
518 1 18 GLU HB3 1 18 GLU QG 2.195 . 2.590 2.234 2.158 2.334 . 0 0 "[ . 1 . 2]" 1
519 1 18 GLU QG 1 19 LEU H 3.255 . 4.710 2.242 2.065 2.571 . 0 0 "[ . 1 . 2]" 1
520 1 19 LEU H 1 19 LEU QD 3.360 . 4.920 2.323 2.168 2.843 . 0 0 "[ . 1 . 2]" 1
521 1 19 LEU QD 1 20 THR H 4.485 . 7.170 3.937 3.878 3.980 . 0 0 "[ . 1 . 2]" 1
522 1 19 LEU QD 1 41 THR MG 4.785 . 7.770 3.069 2.911 3.160 . 0 0 "[ . 1 . 2]" 1
523 1 19 LEU QD 1 42 VAL HA 4.375 . 6.950 4.974 4.550 5.045 . 0 0 "[ . 1 . 2]" 1
524 1 19 LEU QD 1 42 VAL QG 6.220 . 10.640 4.971 4.872 5.073 . 0 0 "[ . 1 . 2]" 1
525 1 19 LEU QD 1 43 GLU H 4.130 . 6.460 4.169 3.681 4.282 . 0 0 "[ . 1 . 2]" 1
526 1 20 THR H 1 42 VAL QG 4.410 . 7.020 4.309 4.203 4.565 . 0 0 "[ . 1 . 2]" 1
527 1 20 THR H 1 43 GLU QB 3.585 . 5.370 3.978 3.520 4.178 . 0 0 "[ . 1 . 2]" 1
528 1 20 THR HA 1 21 VAL QG 4.935 . 8.070 3.221 3.114 3.325 . 0 0 "[ . 1 . 2]" 1
529 1 20 THR HB 1 42 VAL QG 4.935 . 8.070 5.340 3.822 6.053 . 0 0 "[ . 1 . 2]" 1
530 1 20 THR HB 1 44 LEU QD 4.515 . 7.230 2.238 1.840 3.579 . 0 0 "[ . 1 . 2]" 1
531 1 20 THR HB 1 75 LEU QB 3.955 . 6.110 4.519 4.190 4.670 . 0 0 "[ . 1 . 2]" 1
532 1 20 THR MG 1 22 VAL QG 5.450 . 9.100 3.684 3.360 3.848 . 0 0 "[ . 1 . 2]" 1
533 1 20 THR MG 1 42 VAL QG 4.750 . 7.700 3.294 2.915 4.335 . 0 0 "[ . 1 . 2]" 1
534 1 20 THR MG 1 44 LEU QD 4.830 . 7.860 2.339 1.917 2.690 . 0 0 "[ . 1 . 2]" 1
535 1 20 THR MG 1 75 LEU QB 4.130 . 6.460 3.003 2.199 3.331 . 0 0 "[ . 1 . 2]" 1
536 1 20 THR MG 1 75 LEU QD 5.450 . 9.100 2.475 1.941 2.761 . 0 0 "[ . 1 . 2]" 1
537 1 21 VAL H 1 75 LEU QD 4.670 . 7.540 5.289 5.119 5.379 . 0 0 "[ . 1 . 2]" 1
538 1 21 VAL H 1 76 CYS QB 3.575 . 5.350 1.937 1.820 2.180 . 0 0 "[ . 1 . 2]" 1
539 1 21 VAL HB 1 23 LEU QD 4.935 . 8.070 3.885 3.647 4.013 . 0 0 "[ . 1 . 2]" 1
540 1 21 VAL QG 1 39 GLY QA 4.015 . 6.230 3.890 3.805 3.928 . 0 0 "[ . 1 . 2]" 1
541 1 21 VAL MG2 1 39 GLY HA3 5.040 . 8.280 6.348 6.138 6.538 . 0 0 "[ . 1 . 2]" 1
542 1 21 VAL MG2 1 39 GLY HA2 5.040 . 8.280 4.937 4.733 5.143 . 0 0 "[ . 1 . 2]" 1
543 1 21 VAL QG 1 40 GLN HA 4.935 . 8.070 4.089 3.860 4.354 . 0 0 "[ . 1 . 2]" 1
544 1 21 VAL QG 1 41 THR HA 4.935 . 8.070 2.261 1.975 2.463 . 0 0 "[ . 1 . 2]" 1
545 1 21 VAL QG 1 41 THR MG 4.490 . 7.180 2.902 2.686 3.180 . 0 0 "[ . 1 . 2]" 1
546 1 22 VAL H 1 42 VAL QG 4.935 . 8.070 5.071 4.065 5.360 . 0 0 "[ . 1 . 2]" 1
547 1 22 VAL H 1 75 LEU QD 4.935 . 8.070 4.984 4.714 5.208 . 0 0 "[ . 1 . 2]" 1
548 1 22 VAL QG 1 24 GLN H 3.555 . 5.310 3.487 3.436 3.566 . 0 0 "[ . 1 . 2]" 1
549 1 22 VAL QG 1 25 ASP HA 4.935 . 8.070 3.748 3.628 3.953 . 0 0 "[ . 1 . 2]" 1
550 1 22 VAL QG 1 36 ILE HA 3.850 . 5.900 3.941 3.801 4.111 . 0 0 "[ . 1 . 2]" 1
551 1 22 VAL QG 1 36 ILE HB 3.685 . 5.570 2.099 1.945 2.316 . 0 0 "[ . 1 . 2]" 1
552 1 22 VAL QG 1 36 ILE QG 5.380 . 8.960 2.370 2.003 2.658 . 0 0 "[ . 1 . 2]" 1
553 1 22 VAL QG 1 36 ILE MD 5.450 . 9.100 2.489 1.666 3.509 0.134 9 0 "[ . 1 . 2]" 1
554 1 22 VAL QG 1 37 GLN H 3.400 . 5.000 2.688 2.585 2.832 . 0 0 "[ . 1 . 2]" 1
555 1 22 VAL QG 1 38 VAL HA 3.365 . 4.930 2.800 2.423 3.088 . 0 0 "[ . 1 . 2]" 1
556 1 22 VAL QG 1 39 GLY H 4.145 . 6.490 2.637 2.076 2.898 . 0 0 "[ . 1 . 2]" 1
557 1 22 VAL QG 1 40 GLN QB 4.685 . 7.570 3.503 3.420 3.535 . 0 0 "[ . 1 . 2]" 1
558 1 22 VAL QG 1 40 GLN QE 4.970 . 8.140 2.959 2.436 3.522 . 0 0 "[ . 1 . 2]" 1
559 1 22 VAL QG 1 75 LEU HG 4.300 . 6.800 2.396 2.120 2.770 . 0 0 "[ . 1 . 2]" 1
560 1 22 VAL QG 1 75 LEU QD 6.220 . 10.640 2.536 2.289 2.725 . 0 0 "[ . 1 . 2]" 1
561 1 23 LEU H 1 23 LEU QB 2.745 . 3.690 2.755 2.709 2.795 . 0 0 "[ . 1 . 2]" 1
562 1 23 LEU H 1 23 LEU QD 3.325 . 4.850 2.401 2.240 2.725 . 0 0 "[ . 1 . 2]" 1
563 1 23 LEU H 1 75 LEU QD 4.935 . 8.070 4.701 4.631 4.758 . 0 0 "[ . 1 . 2]" 1
564 1 23 LEU HA 1 23 LEU QD 3.000 . 4.200 2.283 2.049 2.377 . 0 0 "[ . 1 . 2]" 1
565 1 23 LEU HA 1 38 VAL QG 3.430 . 5.060 2.614 2.408 2.769 . 0 0 "[ . 1 . 2]" 1
566 1 23 LEU QB 1 24 GLN H 2.870 . 3.940 3.039 2.968 3.135 . 0 0 "[ . 1 . 2]" 1
567 1 23 LEU QD 1 76 CYS H 3.760 . 5.720 3.125 2.521 3.659 . 0 0 "[ . 1 . 2]" 1
568 1 23 LEU QD 1 76 CYS HA 4.550 . 7.300 2.151 1.943 2.423 . 0 0 "[ . 1 . 2]" 1
569 1 24 GLN H 1 24 GLN QG 4.095 . 6.390 2.802 2.697 2.992 . 0 0 "[ . 1 . 2]" 1
570 1 24 GLN H 1 38 VAL QG 3.740 . 5.680 3.737 3.546 3.895 . 0 0 "[ . 1 . 2]" 1
571 1 24 GLN HA 1 24 GLN QE 4.090 . 6.380 4.986 4.313 5.504 . 0 0 "[ . 1 . 2]" 1
572 1 24 GLN HA 1 38 VAL QG 2.805 . 3.810 2.694 2.574 2.764 . 0 0 "[ . 1 . 2]" 1
573 1 24 GLN QG 1 25 ASP H 3.380 . 4.960 3.575 3.432 3.647 . 0 0 "[ . 1 . 2]" 1
574 1 24 GLN QG 1 74 THR MG 4.055 . 6.310 1.838 1.816 1.910 . 0 0 "[ . 1 . 2]" 1
575 1 24 GLN QE 1 74 THR H 4.090 . 6.380 5.014 4.383 5.494 . 0 0 "[ . 1 . 2]" 1
576 1 25 ASP H 1 38 VAL QG 3.430 . 5.060 3.200 3.022 3.286 . 0 0 "[ . 1 . 2]" 1
577 1 25 ASP QB 1 37 GLN HA 3.135 . 4.470 1.921 1.908 1.947 . 0 0 "[ . 1 . 2]" 1
578 1 25 ASP QB 1 37 GLN QG 4.540 . 7.280 2.230 2.137 2.361 . 0 0 "[ . 1 . 2]" 1
579 1 26 PHE H 1 36 ILE QG 2.635 . 3.470 2.411 2.302 2.555 . 0 0 "[ . 1 . 2]" 1
580 1 26 PHE QD 1 36 ILE QG 5.170 . 8.540 3.392 3.194 3.593 . 0 0 "[ . 1 . 2]" 1
581 1 27 SER QB 1 28 ALA H 2.590 . 3.380 3.029 3.007 3.038 . 0 0 "[ . 1 . 2]" 1
582 1 27 SER QB 1 35 SER HB3 3.415 . 5.030 2.890 2.781 2.940 . 0 0 "[ . 1 . 2]" 1
583 1 28 ALA H 1 33 GLU QG 4.095 . 6.390 5.990 5.938 6.046 . 0 0 "[ . 1 . 2]" 1
584 1 28 ALA H 1 34 LEU QB 4.095 . 6.390 4.780 4.754 4.799 . 0 0 "[ . 1 . 2]" 1
585 1 28 ALA HA 1 33 GLU QB 3.860 . 5.920 1.810 1.779 1.842 0.021 19 0 "[ . 1 . 2]" 1
586 1 28 ALA MB 1 33 GLU QB 3.940 . 6.080 1.859 1.825 1.885 . 0 0 "[ . 1 . 2]" 1
587 1 28 ALA MB 1 33 GLU QG 4.610 . 7.420 3.808 3.727 3.838 . 0 0 "[ . 1 . 2]" 1
588 1 29 ALA H 1 33 GLU QB 3.520 . 5.240 1.923 1.893 1.987 . 0 0 "[ . 1 . 2]" 1
589 1 29 ALA H 1 33 GLU QG 2.945 . 4.090 3.377 2.941 3.527 . 0 0 "[ . 1 . 2]" 1
590 1 30 HIS H 1 33 GLU QB 3.135 . 4.470 1.921 1.900 1.936 . 0 0 "[ . 1 . 2]" 1
591 1 30 HIS H 1 33 GLU QG 2.730 . 3.660 2.178 1.887 2.353 . 0 0 "[ . 1 . 2]" 1
592 1 30 HIS QB 1 32 SER H 3.580 . 5.360 3.528 3.094 4.472 . 0 0 "[ . 1 . 2]" 1
593 1 31 SER H 1 33 GLU QB 3.585 . 5.370 4.494 4.442 4.545 . 0 0 "[ . 1 . 2]" 1
594 1 31 SER H 1 33 GLU QG 3.380 . 4.960 4.305 4.188 4.657 . 0 0 "[ . 1 . 2]" 1
595 1 33 GLU H 1 33 GLU QB 2.650 . 3.500 2.199 2.146 2.238 . 0 0 "[ . 1 . 2]" 1
596 1 33 GLU H 1 33 GLU QG 2.575 . 3.350 3.194 3.164 3.233 . 0 0 "[ . 1 . 2]" 1
597 1 33 GLU HA 1 33 GLU QG 2.855 . 3.910 2.074 2.027 2.312 . 0 0 "[ . 1 . 2]" 1
598 1 33 GLU QB 1 69 LEU H 3.815 . 5.830 4.124 3.955 4.259 . 0 0 "[ . 1 . 2]" 1
599 1 33 GLU QG 1 34 LEU H 2.945 . 4.090 3.537 3.422 3.845 . 0 0 "[ . 1 . 2]" 1
600 1 33 GLU QG 1 69 LEU H 3.630 . 5.460 2.676 2.315 3.264 . 0 0 "[ . 1 . 2]" 1
601 1 34 LEU H 1 34 LEU QB 2.605 . 3.410 3.316 3.294 3.336 . 0 0 "[ . 1 . 2]" 1
602 1 34 LEU H 1 34 LEU QD 3.155 . 4.510 2.697 2.510 2.839 . 0 0 "[ . 1 . 2]" 1
603 1 34 LEU H 1 36 ILE QG 3.910 . 6.020 5.431 5.258 5.583 . 0 0 "[ . 1 . 2]" 1
604 1 34 LEU H 1 68 GLY QA 2.840 . 3.880 2.763 2.638 2.874 . 0 0 "[ . 1 . 2]" 1
605 1 34 LEU QB 1 35 SER H 3.010 . 4.220 2.360 2.334 2.381 . 0 0 "[ . 1 . 2]" 1
606 1 34 LEU QB 1 67 GLU H 3.770 . 5.740 4.407 4.199 4.797 . 0 0 "[ . 1 . 2]" 1
607 1 34 LEU QD 1 35 SER H 3.270 . 4.740 3.562 3.521 3.605 . 0 0 "[ . 1 . 2]" 1
608 1 34 LEU QD 1 57 VAL H 4.610 . 7.420 4.098 3.930 4.234 . 0 0 "[ . 1 . 2]" 1
609 1 34 LEU QD 1 58 ARG HA 4.890 . 7.980 3.419 3.158 3.583 . 0 0 "[ . 1 . 2]" 1
610 1 34 LEU QD 1 59 THR H 3.810 . 5.820 3.556 3.190 3.997 . 0 0 "[ . 1 . 2]" 1
611 1 34 LEU QD 1 59 THR MG 4.010 . 6.220 3.066 2.227 3.360 . 0 0 "[ . 1 . 2]" 1
612 1 34 LEU QD 1 66 GLN H 4.205 . 6.610 4.065 3.940 4.152 . 0 0 "[ . 1 . 2]" 1
613 1 34 LEU QD 1 66 GLN QB 4.390 . 6.980 1.817 1.781 1.849 0.019 17 0 "[ . 1 . 2]" 1
614 1 34 LEU MD1 1 66 GLN HB2 5.305 . 8.810 5.186 4.943 5.431 . 0 0 "[ . 1 . 2]" 1
615 1 34 LEU MD1 1 66 GLN HB3 5.305 . 8.810 3.916 3.491 4.123 . 0 0 "[ . 1 . 2]" 1
616 1 34 LEU QD 1 66 GLN QG 4.565 . 7.330 2.583 1.901 3.285 . 0 0 "[ . 1 . 2]" 1
617 1 34 LEU MD1 1 66 GLN HG2 5.675 . 9.550 5.307 4.397 6.460 . 0 0 "[ . 1 . 2]" 1
618 1 34 LEU MD1 1 66 GLN HG3 5.675 . 9.550 5.981 5.520 6.505 . 0 0 "[ . 1 . 2]" 1
619 1 34 LEU QD 1 67 GLU H 3.315 . 4.830 2.179 2.067 2.342 . 0 0 "[ . 1 . 2]" 1
620 1 34 LEU QD 1 67 GLU HA 3.585 . 5.370 2.604 2.353 2.681 . 0 0 "[ . 1 . 2]" 1
621 1 34 LEU QD 1 68 GLY H 3.445 . 5.090 2.912 2.675 3.027 . 0 0 "[ . 1 . 2]" 1
622 1 34 LEU QD 1 69 LEU H 4.610 . 7.420 3.735 3.499 4.053 . 0 0 "[ . 1 . 2]" 1
623 1 35 SER H 1 66 GLN QE 3.730 . 5.660 4.119 3.261 4.830 . 0 0 "[ . 1 . 2]" 1
624 1 36 ILE H 1 36 ILE QG 2.555 . 3.310 2.061 1.893 2.246 . 0 0 "[ . 1 . 2]" 1
625 1 36 ILE MG 1 40 GLN QE 3.735 . 5.670 2.041 1.774 3.441 0.026 8 0 "[ . 1 . 2]" 1
626 1 36 ILE MG 1 66 GLN QE 4.600 . 7.400 5.307 4.701 5.517 . 0 0 "[ . 1 . 2]" 1
627 1 36 ILE QG 1 37 GLN H 3.845 . 5.890 3.955 3.879 4.032 . 0 0 "[ . 1 . 2]" 1
628 1 37 GLN H 1 37 GLN QB 2.350 . 2.900 2.430 2.394 2.459 . 0 0 "[ . 1 . 2]" 1
629 1 37 GLN H 1 37 GLN QG 3.220 . 4.640 3.710 3.689 3.777 . 0 0 "[ . 1 . 2]" 1
630 1 37 GLN H 1 37 GLN QE 4.040 . 6.280 4.936 3.765 5.565 . 0 0 "[ . 1 . 2]" 1
631 1 37 GLN H 1 40 GLN QB 3.055 . 4.310 3.806 3.689 3.836 . 0 0 "[ . 1 . 2]" 1
632 1 37 GLN H 1 40 GLN QG 3.830 . 5.860 2.885 2.756 2.994 . 0 0 "[ . 1 . 2]" 1
633 1 37 GLN H 1 40 GLN QE 3.980 . 6.160 2.987 2.277 3.197 . 0 0 "[ . 1 . 2]" 1
634 1 37 GLN HA 1 37 GLN QG 2.850 . 3.900 2.105 2.086 2.114 . 0 0 "[ . 1 . 2]" 1
635 1 37 GLN HA 1 38 VAL QG 4.825 . 7.850 3.777 3.715 3.855 . 0 0 "[ . 1 . 2]" 1
636 1 37 GLN HB2 1 37 GLN HE21 4.525 . 7.250 3.625 2.297 4.269 . 0 0 "[ . 1 . 2]" 1
637 1 37 GLN HB3 1 37 GLN HE21 4.525 . 7.250 3.934 2.654 4.623 . 0 0 "[ . 1 . 2]" 1
638 1 37 GLN QB 1 38 VAL H 2.620 . 3.440 2.818 2.588 2.918 . 0 0 "[ . 1 . 2]" 1
639 1 37 GLN QB 1 40 GLN QE 4.255 . 6.710 4.218 2.250 4.517 . 0 0 "[ . 1 . 2]" 1
640 1 37 GLN QG 1 38 VAL H 2.730 . 3.660 3.390 3.339 3.415 . 0 0 "[ . 1 . 2]" 1
641 1 38 VAL H 1 38 VAL QG 2.730 . 3.660 1.989 1.934 2.111 . 0 0 "[ . 1 . 2]" 1
642 1 38 VAL QG 1 39 GLY H 4.035 . 6.270 2.742 2.535 2.868 . 0 0 "[ . 1 . 2]" 1
643 1 38 VAL QG 1 39 GLY QA 4.840 . 7.880 3.047 2.977 3.103 . 0 0 "[ . 1 . 2]" 1
644 1 38 VAL MG1 1 39 GLY HA3 5.705 . 9.610 4.037 3.905 4.155 . 0 0 "[ . 1 . 2]" 1
645 1 38 VAL MG1 1 39 GLY HA2 5.705 . 9.610 4.779 4.669 4.967 . 0 0 "[ . 1 . 2]" 1
646 1 38 VAL QG 1 40 GLN QB 5.115 . 8.430 5.384 5.177 5.461 . 0 0 "[ . 1 . 2]" 1
647 1 39 GLY QA 1 40 GLN H 2.425 . 3.050 2.857 2.815 2.904 . 0 0 "[ . 1 . 2]" 1
648 1 40 GLN H 1 40 GLN QB 2.340 . 2.880 2.426 2.354 2.514 . 0 0 "[ . 1 . 2]" 1
649 1 40 GLN H 1 40 GLN QG 2.530 . 3.260 2.173 1.999 2.342 . 0 0 "[ . 1 . 2]" 1
650 1 40 GLN HA 1 40 GLN QG 2.585 . 3.370 3.275 3.271 3.278 . 0 0 "[ . 1 . 2]" 1
651 1 40 GLN QB 1 41 THR H 2.455 . 3.110 2.308 2.173 2.371 . 0 0 "[ . 1 . 2]" 1
652 1 40 GLN QE 1 40 GLN QG 2.610 . 3.420 2.132 2.067 2.566 . 0 0 "[ . 1 . 2]" 1
653 1 40 GLN QG 1 41 THR H 3.475 . 5.150 3.121 2.959 3.326 . 0 0 "[ . 1 . 2]" 1
654 1 40 GLN QE 1 42 VAL QG 5.155 . 8.510 2.731 1.808 4.609 . 0 0 "[ . 1 . 2]" 1
655 1 41 THR MG 1 42 VAL QG 5.450 . 9.100 3.951 3.813 4.022 . 0 0 "[ . 1 . 2]" 1
656 1 42 VAL H 1 42 VAL QG 2.990 . 4.180 3.157 2.790 3.214 . 0 0 "[ . 1 . 2]" 1
657 1 42 VAL H 1 57 VAL QG 3.850 . 5.900 3.755 3.678 3.809 . 0 0 "[ . 1 . 2]" 1
658 1 42 VAL QG 1 57 VAL HA 4.935 . 8.070 2.183 1.909 2.831 . 0 0 "[ . 1 . 2]" 1
659 1 42 VAL QG 1 57 VAL HB 4.935 . 8.070 1.763 1.729 1.851 0.071 15 0 "[ . 1 . 2]" 1
660 1 42 VAL QG 1 58 ARG H 4.115 . 6.430 1.809 1.749 2.129 0.051 7 0 "[ . 1 . 2]" 1
661 1 42 VAL QG 1 58 ARG HE 4.005 . 6.210 4.758 4.323 4.955 . 0 0 "[ . 1 . 2]" 1
662 1 42 VAL QG 1 59 THR HA 4.345 . 6.890 2.274 1.865 2.776 . 0 0 "[ . 1 . 2]" 1
663 1 42 VAL QG 1 59 THR HB 4.860 . 7.920 3.046 1.858 4.526 . 0 0 "[ . 1 . 2]" 1
664 1 42 VAL QG 1 59 THR MG 5.075 . 8.350 3.304 2.001 4.007 . 0 0 "[ . 1 . 2]" 1
665 1 43 GLU H 1 43 GLU QB 2.570 . 3.340 2.525 2.497 2.560 . 0 0 "[ . 1 . 2]" 1
666 1 43 GLU H 1 43 GLU QG 2.620 . 3.440 1.992 1.972 2.047 . 0 0 "[ . 1 . 2]" 1
667 1 43 GLU HA 1 43 GLU QG 2.685 . 3.570 3.323 3.318 3.330 . 0 0 "[ . 1 . 2]" 1
668 1 43 GLU QB 1 58 ARG QB 4.540 . 7.280 3.973 3.656 4.455 . 0 0 "[ . 1 . 2]" 1
669 1 43 GLU QG 1 58 ARG H 4.095 . 6.390 3.132 3.071 3.221 . 0 0 "[ . 1 . 2]" 1
670 1 43 GLU QG 1 58 ARG HA 3.205 . 4.610 4.298 4.278 4.328 . 0 0 "[ . 1 . 2]" 1
671 1 43 GLU QG 1 58 ARG QB 4.340 . 6.880 2.105 1.786 2.734 0.014 4 0 "[ . 1 . 2]" 1
672 1 43 GLU QG 1 58 ARG QD 3.485 . 5.170 3.844 3.326 4.157 . 0 0 "[ . 1 . 2]" 1
673 1 43 GLU HG2 1 58 ARG HD3 4.075 . 6.350 4.897 3.826 5.538 . 0 0 "[ . 1 . 2]" 1
674 1 43 GLU HG3 1 58 ARG HD3 4.075 . 6.350 4.865 4.181 5.403 . 0 0 "[ . 1 . 2]" 1
675 1 44 LEU HA 1 57 VAL QG 3.865 . 5.930 3.557 3.331 3.755 . 0 0 "[ . 1 . 2]" 1
676 1 44 LEU QD 1 45 LEU H 3.895 . 5.990 3.476 3.326 3.860 . 0 0 "[ . 1 . 2]" 1
677 1 44 LEU QD 1 45 LEU HA 4.935 . 8.070 3.993 3.767 4.504 . 0 0 "[ . 1 . 2]" 1
678 1 44 LEU QD 1 55 CYS QB 3.965 . 6.130 3.787 3.664 4.012 . 0 0 "[ . 1 . 2]" 1
679 1 44 LEU MD2 1 55 CYS HB2 4.790 . 7.780 4.785 4.314 6.467 . 0 0 "[ . 1 . 2]" 1
680 1 44 LEU MD2 1 55 CYS HB3 4.790 . 7.780 4.251 3.997 5.696 . 0 0 "[ . 1 . 2]" 1
681 1 45 LEU H 1 45 LEU QD 3.645 . 5.490 2.930 2.910 2.962 . 0 0 "[ . 1 . 2]" 1
682 1 45 LEU H 1 56 LEU QD 4.610 . 7.420 3.178 3.067 3.295 . 0 0 "[ . 1 . 2]" 1
683 1 45 LEU HA 1 45 LEU QD 2.985 . 4.170 2.419 2.320 2.510 . 0 0 "[ . 1 . 2]" 1
684 1 45 LEU QB 1 46 GLU H 2.615 . 3.430 2.255 2.148 2.346 . 0 0 "[ . 1 . 2]" 1
685 1 45 LEU QD 1 46 GLU H 3.665 . 5.530 3.723 3.558 3.791 . 0 0 "[ . 1 . 2]" 1
686 1 45 LEU QD 1 58 ARG H 3.895 . 5.990 3.596 3.351 3.867 . 0 0 "[ . 1 . 2]" 1
687 1 45 LEU QD 1 58 ARG HA 4.935 . 8.070 2.958 2.593 3.396 . 0 0 "[ . 1 . 2]" 1
688 1 45 LEU QD 1 58 ARG QD 4.575 . 7.350 3.079 2.143 3.885 . 0 0 "[ . 1 . 2]" 1
689 1 45 LEU QD 1 68 GLY H 2.875 . 3.950 2.842 2.676 3.012 . 0 0 "[ . 1 . 2]" 1
690 1 46 GLU HA 1 46 GLU QG 2.760 . 3.720 3.321 3.274 3.355 . 0 0 "[ . 1 . 2]" 1
691 1 47 ARG HA 1 47 ARG QD 3.985 . 6.170 3.707 1.999 4.455 . 0 0 "[ . 1 . 2]" 1
692 1 47 ARG QB 1 54 TRP HE1 3.630 . 5.460 4.978 4.910 5.048 . 0 0 "[ . 1 . 2]" 1
693 1 48 PRO QB 1 49 SER H 3.090 . 4.380 3.956 3.852 4.002 . 0 0 "[ . 1 . 2]" 1
694 1 48 PRO QB 1 50 GLU H 4.100 . 6.400 5.094 4.809 5.182 . 0 0 "[ . 1 . 2]" 1
695 1 48 PRO QB 1 51 ARG H 3.245 . 4.690 4.257 4.194 4.296 . 0 0 "[ . 1 . 2]" 1
696 1 49 SER H 1 49 SER QB 2.785 . 3.770 2.228 2.134 2.325 . 0 0 "[ . 1 . 2]" 1
697 1 49 SER HA 1 49 SER QB 2.210 . 2.620 2.466 2.398 2.492 . 0 0 "[ . 1 . 2]" 1
698 1 49 SER QB 1 50 GLU H 2.900 . 4.000 2.455 2.376 2.703 . 0 0 "[ . 1 . 2]" 1
699 1 49 SER QB 1 51 ARG H 3.350 . 4.900 4.388 4.256 4.442 . 0 0 "[ . 1 . 2]" 1
700 1 50 GLU H 1 50 GLU QG 3.225 . 4.650 2.075 1.919 2.286 . 0 0 "[ . 1 . 2]" 1
701 1 50 GLU HA 1 50 GLU QG 2.595 . 3.390 3.308 3.286 3.314 . 0 0 "[ . 1 . 2]" 1
702 1 51 ARG H 1 51 ARG QB 2.730 . 3.660 2.903 2.375 3.263 . 0 0 "[ . 1 . 2]" 1
703 1 51 ARG HA 1 51 ARG QD 3.475 . 5.150 3.810 2.259 4.599 . 0 0 "[ . 1 . 2]" 1
704 1 51 ARG QB 1 54 TRP H 3.275 . 4.750 3.774 3.065 4.070 . 0 0 "[ . 1 . 2]" 1
705 1 51 ARG QB 1 54 TRP HE1 3.970 . 6.140 4.004 2.526 5.148 . 0 0 "[ . 1 . 2]" 1
706 1 51 ARG QG 1 54 TRP H 3.630 . 5.460 4.037 2.850 4.964 . 0 0 "[ . 1 . 2]" 1
707 1 51 ARG QG 1 54 TRP HD1 3.860 . 5.920 3.438 2.813 4.548 . 0 0 "[ . 1 . 2]" 1
708 1 51 ARG QG 1 54 TRP HE1 3.445 . 5.090 3.514 2.790 4.553 . 0 0 "[ . 1 . 2]" 1
709 1 51 ARG QD 1 54 TRP HE1 3.425 . 5.050 4.377 4.052 4.598 . 0 0 "[ . 1 . 2]" 1
710 1 52 PRO QB 1 53 GLY H 2.990 . 4.180 3.578 3.464 3.730 . 0 0 "[ . 1 . 2]" 1
711 1 52 PRO QD 1 54 TRP H 3.585 . 5.370 4.844 4.763 4.894 . 0 0 "[ . 1 . 2]" 1
712 1 53 GLY QA 1 54 TRP H 2.390 . 2.980 2.895 2.865 2.904 . 0 0 "[ . 1 . 2]" 1
713 1 53 GLY QA 1 72 SER H 3.085 . 4.370 3.604 3.491 3.691 . 0 0 "[ . 1 . 2]" 1
714 1 54 TRP H 1 71 PRO QB 3.540 . 5.280 5.008 4.901 5.054 . 0 0 "[ . 1 . 2]" 1
715 1 54 TRP H 1 75 LEU QD 4.935 . 8.070 5.649 5.558 5.707 . 0 0 "[ . 1 . 2]" 1
716 1 54 TRP HE3 1 75 LEU QD 4.935 . 8.070 5.438 5.326 5.711 . 0 0 "[ . 1 . 2]" 1
717 1 55 CYS H 1 56 LEU QD 3.820 . 5.840 3.335 3.211 3.532 . 0 0 "[ . 1 . 2]" 1
718 1 55 CYS H 1 75 LEU QD 4.115 . 6.430 2.611 2.553 2.676 . 0 0 "[ . 1 . 2]" 1
719 1 55 CYS HA 1 56 LEU QD 4.270 . 6.740 2.706 2.648 2.790 . 0 0 "[ . 1 . 2]" 1
720 1 55 CYS QB 1 56 LEU H 2.620 . 3.440 2.975 2.655 3.118 . 0 0 "[ . 1 . 2]" 1
721 1 55 CYS QB 1 56 LEU QD 4.350 . 6.900 3.951 3.831 4.033 . 0 0 "[ . 1 . 2]" 1
722 1 55 CYS HB2 1 56 LEU MD2 5.150 . 8.500 6.776 6.706 6.929 . 0 0 "[ . 1 . 2]" 1
723 1 55 CYS HB3 1 56 LEU MD2 5.150 . 8.500 6.212 5.972 6.369 . 0 0 "[ . 1 . 2]" 1
724 1 55 CYS QB 1 57 VAL QG 4.380 . 6.960 3.893 3.683 4.016 . 0 0 "[ . 1 . 2]" 1
725 1 55 CYS HB2 1 57 VAL MG2 5.225 . 8.650 6.436 6.015 6.617 . 0 0 "[ . 1 . 2]" 1
726 1 55 CYS HB3 1 57 VAL MG2 5.225 . 8.650 5.102 4.967 5.306 . 0 0 "[ . 1 . 2]" 1
727 1 55 CYS QB 1 70 VAL H 3.455 . 5.110 4.494 4.408 4.601 . 0 0 "[ . 1 . 2]" 1
728 1 55 CYS QB 1 75 LEU QD 4.670 . 7.540 1.717 1.622 1.805 0.178 8 0 "[ . 1 . 2]" 1
729 1 56 LEU H 1 56 LEU QB 2.480 . 3.160 2.285 2.242 2.313 . 0 0 "[ . 1 . 2]" 1
730 1 56 LEU HA 1 56 LEU QD 3.030 . 4.260 2.184 2.138 2.242 . 0 0 "[ . 1 . 2]" 1
731 1 56 LEU QB 1 57 VAL H 2.625 . 3.450 2.545 2.512 2.584 . 0 0 "[ . 1 . 2]" 1
732 1 56 LEU QD 1 69 LEU HA 4.145 . 6.490 2.594 2.452 2.952 . 0 0 "[ . 1 . 2]" 1
733 1 57 VAL H 1 57 VAL QG 2.790 . 3.780 2.075 1.950 2.244 . 0 0 "[ . 1 . 2]" 1
734 1 57 VAL H 1 68 GLY QA 2.950 . 4.100 3.362 3.282 3.488 . 0 0 "[ . 1 . 2]" 1
735 1 57 VAL QG 1 58 ARG H 3.895 . 5.990 3.510 3.491 3.572 . 0 0 "[ . 1 . 2]" 1
736 1 57 VAL QG 1 59 THR H 4.750 . 7.700 5.494 5.368 5.751 . 0 0 "[ . 1 . 2]" 1
737 1 57 VAL QG 1 70 VAL H 3.695 . 5.590 3.884 3.721 4.002 . 0 0 "[ . 1 . 2]" 1
738 1 58 ARG H 1 58 ARG QB 2.710 . 3.620 2.336 2.228 2.450 . 0 0 "[ . 1 . 2]" 1
739 1 58 ARG H 1 58 ARG QG 3.585 . 5.370 3.763 3.413 3.960 . 0 0 "[ . 1 . 2]" 1
740 1 58 ARG H 1 58 ARG QD 4.095 . 6.390 4.927 4.785 5.088 . 0 0 "[ . 1 . 2]" 1
741 1 58 ARG HA 1 58 ARG QD 3.615 . 5.430 3.470 2.866 4.089 . 0 0 "[ . 1 . 2]" 1
742 1 58 ARG HA 1 67 GLU QB 3.180 . 4.560 3.428 2.823 3.661 . 0 0 "[ . 1 . 2]" 1
743 1 58 ARG HA 1 67 GLU QG 3.305 . 4.810 4.270 3.972 4.448 . 0 0 "[ . 1 . 2]" 1
744 1 58 ARG QB 1 58 ARG HE 3.290 . 4.780 2.292 2.029 3.012 . 0 0 "[ . 1 . 2]" 1
745 1 58 ARG QB 1 59 THR H 2.915 . 4.030 3.551 3.231 3.686 . 0 0 "[ . 1 . 2]" 1
746 1 58 ARG HE 1 58 ARG QG 2.795 . 3.790 2.813 2.309 3.158 . 0 0 "[ . 1 . 2]" 1
747 1 58 ARG QG 1 59 THR H 3.120 . 4.440 2.795 2.248 3.369 . 0 0 "[ . 1 . 2]" 1
748 1 58 ARG QG 1 59 THR HB 3.710 . 5.620 4.863 4.799 5.072 . 0 0 "[ . 1 . 2]" 1
749 1 58 ARG QD 1 59 THR H 3.690 . 5.580 2.992 1.917 4.251 . 0 0 "[ . 1 . 2]" 1
750 1 58 ARG QD 1 66 GLN H 3.675 . 5.550 3.515 2.381 4.713 . 0 0 "[ . 1 . 2]" 1
751 1 58 ARG QD 1 67 GLU HA 4.080 . 6.360 4.258 3.863 4.953 . 0 0 "[ . 1 . 2]" 1
752 1 58 ARG QD 1 67 GLU QG 4.275 . 6.750 3.834 3.095 5.154 . 0 0 "[ . 1 . 2]" 1
753 1 58 ARG HE 1 65 PRO QB 3.340 . 4.880 3.578 3.102 4.030 . 0 0 "[ . 1 . 2]" 1
754 1 58 ARG HE 1 67 GLU QB 2.905 . 4.010 2.949 2.739 3.376 . 0 0 "[ . 1 . 2]" 1
755 1 59 THR H 1 65 PRO QB 3.015 . 4.230 3.795 3.719 3.909 . 0 0 "[ . 1 . 2]" 1
756 1 59 THR H 1 67 GLU QG 3.800 . 5.800 4.670 4.381 5.081 . 0 0 "[ . 1 . 2]" 1
757 1 59 THR HB 1 62 ARG QB 4.095 . 6.390 4.016 2.606 4.495 . 0 0 "[ . 1 . 2]" 1
758 1 59 THR MG 1 62 ARG QB 4.065 . 6.330 2.377 1.903 3.550 . 0 0 "[ . 1 . 2]" 1
759 1 59 THR MG 1 62 ARG QG 3.880 . 5.960 3.294 2.739 4.323 . 0 0 "[ . 1 . 2]" 1
760 1 59 THR MG 1 62 ARG QD 3.380 . 4.960 3.393 2.932 3.585 . 0 0 "[ . 1 . 2]" 1
761 1 59 THR MG 1 66 GLN QB 3.635 . 5.470 2.030 1.789 2.539 0.011 2 0 "[ . 1 . 2]" 1
762 1 59 THR MG 1 66 GLN QG 3.510 . 5.220 3.586 3.410 3.783 . 0 0 "[ . 1 . 2]" 1
763 1 61 GLU H 1 61 GLU QB 2.730 . 3.660 2.464 2.185 2.824 . 0 0 "[ . 1 . 2]" 1
764 1 61 GLU HA 1 61 GLU QB 2.240 . 2.680 2.356 2.174 2.500 . 0 0 "[ . 1 . 2]" 1
765 1 61 GLU HA 1 61 GLU QG 2.830 . 3.860 2.653 2.204 3.337 . 0 0 "[ . 1 . 2]" 1
766 1 61 GLU QG 1 62 ARG H 4.095 . 6.390 4.223 3.211 4.788 . 0 0 "[ . 1 . 2]" 1
767 1 62 ARG H 1 62 ARG QB 2.475 . 3.150 2.541 2.505 2.570 . 0 0 "[ . 1 . 2]" 1
768 1 62 ARG H 1 62 ARG QG 2.900 . 4.000 3.757 3.595 3.842 . 0 0 "[ . 1 . 2]" 1
769 1 62 ARG HA 1 62 ARG QG 2.810 . 3.820 2.441 2.059 2.727 . 0 0 "[ . 1 . 2]" 1
770 1 62 ARG HA 1 62 ARG QD 3.660 . 5.520 3.820 3.611 4.051 . 0 0 "[ . 1 . 2]" 1
771 1 62 ARG QB 1 63 SER H 3.150 . 4.500 3.885 3.736 3.996 . 0 0 "[ . 1 . 2]" 1
772 1 63 SER H 1 63 SER QB 2.835 . 3.870 2.560 2.210 2.894 . 0 0 "[ . 1 . 2]" 1
773 1 65 PRO QB 1 66 GLN H 2.620 . 3.440 2.636 2.526 2.768 . 0 0 "[ . 1 . 2]" 1
774 1 65 PRO QG 1 66 GLN H 3.525 . 5.250 4.344 4.257 4.473 . 0 0 "[ . 1 . 2]" 1
775 1 66 GLN H 1 66 GLN QB 2.315 . 2.830 2.549 2.454 2.618 . 0 0 "[ . 1 . 2]" 1
776 1 66 GLN H 1 66 GLN QG 3.010 . 4.220 3.944 3.815 4.052 . 0 0 "[ . 1 . 2]" 1
777 1 66 GLN HA 1 66 GLN QG 2.875 . 3.950 2.151 2.026 2.230 . 0 0 "[ . 1 . 2]" 1
778 1 66 GLN HB2 1 66 GLN HE21 4.015 . 6.230 3.027 2.004 4.503 . 0 0 "[ . 1 . 2]" 1
779 1 66 GLN QG 1 67 GLU H 3.210 . 4.620 2.847 2.325 3.572 . 0 0 "[ . 1 . 2]" 1
780 1 67 GLU H 1 67 GLU QB 2.630 . 3.460 3.154 3.068 3.263 . 0 0 "[ . 1 . 2]" 1
781 1 67 GLU H 1 67 GLU QG 2.900 . 4.000 2.315 1.894 2.924 . 0 0 "[ . 1 . 2]" 1
782 1 67 GLU HA 1 67 GLU QG 2.810 . 3.820 3.042 2.876 3.306 . 0 0 "[ . 1 . 2]" 1
783 1 67 GLU QB 1 68 GLY H 2.335 . 2.870 2.712 2.480 2.822 . 0 0 "[ . 1 . 2]" 1
784 1 69 LEU H 1 69 LEU QD 3.895 . 5.990 3.106 3.005 3.275 . 0 0 "[ . 1 . 2]" 1
785 1 69 LEU HA 1 69 LEU QD 3.065 . 4.330 2.784 2.662 2.850 . 0 0 "[ . 1 . 2]" 1
786 1 69 LEU HA 1 75 LEU QD 4.935 . 8.070 3.738 3.679 3.867 . 0 0 "[ . 1 . 2]" 1
787 1 69 LEU HB2 1 75 LEU QD 4.935 . 8.070 5.793 5.715 5.963 . 0 0 "[ . 1 . 2]" 1
788 1 69 LEU HB3 1 75 LEU QD 4.795 . 7.790 5.162 5.108 5.231 . 0 0 "[ . 1 . 2]" 1
789 1 69 LEU HG 1 75 LEU QD 4.190 . 6.580 4.946 4.875 4.980 . 0 0 "[ . 1 . 2]" 1
790 1 69 LEU QD 1 70 VAL H 4.220 . 6.640 3.932 3.663 4.000 . 0 0 "[ . 1 . 2]" 1
791 1 69 LEU QD 1 75 LEU QD 5.090 . 8.380 4.672 4.629 4.710 . 0 0 "[ . 1 . 2]" 1
792 1 70 VAL H 1 75 LEU QD 3.895 . 5.990 2.622 2.530 2.826 . 0 0 "[ . 1 . 2]" 1
793 1 71 PRO QB 1 72 SER H 3.000 . 4.200 2.791 2.721 2.855 . 0 0 "[ . 1 . 2]" 1
794 1 71 PRO QD 1 74 THR H 2.825 . 3.850 3.191 3.159 3.247 . 0 0 "[ . 1 . 2]" 1
795 1 72 SER H 1 75 LEU QD 4.935 . 8.070 3.357 3.238 3.537 . 0 0 "[ . 1 . 2]" 1
796 1 73 SER H 1 73 SER QB 2.660 . 3.520 2.412 2.109 2.834 . 0 0 "[ . 1 . 2]" 1
797 1 73 SER HA 1 73 SER QB 2.250 . 2.700 2.340 2.168 2.505 . 0 0 "[ . 1 . 2]" 1
798 1 74 THR H 1 75 LEU QB 3.305 . 4.810 4.123 4.059 4.206 . 0 0 "[ . 1 . 2]" 1
799 1 74 THR H 1 75 LEU QD 3.930 . 6.060 3.119 2.957 3.264 . 0 0 "[ . 1 . 2]" 1
800 1 75 LEU H 1 75 LEU QB 2.495 . 3.190 2.576 2.478 2.661 . 0 0 "[ . 1 . 2]" 1
801 1 75 LEU H 1 75 LEU QD 3.835 . 5.870 2.973 2.782 3.341 . 0 0 "[ . 1 . 2]" 1
802 1 75 LEU QB 1 76 CYS H 2.745 . 3.690 2.568 1.973 3.234 . 0 0 "[ . 1 . 2]" 1
803 1 75 LEU QD 1 76 CYS H 4.145 . 6.490 3.707 3.331 4.269 . 0 0 "[ . 1 . 2]" 1
804 1 76 CYS H 1 76 CYS QB 2.475 . 3.150 2.237 2.121 2.384 . 0 0 "[ . 1 . 2]" 1
805 1 76 CYS QB 1 77 ILE H 3.135 . 4.470 3.696 3.147 3.880 . 0 0 "[ . 1 . 2]" 1
806 1 77 ILE H 1 77 ILE QG 2.985 . 4.170 2.461 1.984 3.135 . 0 0 "[ . 1 . 2]" 1
807 1 78 SER H 1 78 SER QB 2.805 . 3.810 2.850 2.214 3.411 . 0 0 "[ . 1 . 2]" 1
808 1 80 SER HA 1 80 SER QB 2.220 . 2.640 2.288 2.167 2.402 . 0 0 "[ . 1 . 2]" 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 22
_Distance_constraint_stats_list.Viol_count 237
_Distance_constraint_stats_list.Viol_total 359.752
_Distance_constraint_stats_list.Viol_max 0.217
_Distance_constraint_stats_list.Viol_rms 0.0591
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0409
_Distance_constraint_stats_list.Viol_average_violations_only 0.0759
_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 18 GLU 5.385 0.217 13 0 "[ . 1 . 2]"
1 20 THR 0.559 0.138 8 0 "[ . 1 . 2]"
1 26 PHE 2.728 0.153 20 0 "[ . 1 . 2]"
1 30 HIS 3.802 0.187 17 0 "[ . 1 . 2]"
1 33 GLU 3.802 0.187 17 0 "[ . 1 . 2]"
1 36 ILE 2.728 0.153 20 0 "[ . 1 . 2]"
1 42 VAL 0.559 0.138 8 0 "[ . 1 . 2]"
1 44 LEU 5.385 0.217 13 0 "[ . 1 . 2]"
1 57 VAL 0.612 0.077 18 0 "[ . 1 . 2]"
1 59 THR 3.948 0.167 6 0 "[ . 1 . 2]"
1 66 GLN 3.948 0.167 6 0 "[ . 1 . 2]"
1 68 GLY 0.612 0.077 18 0 "[ . 1 . 2]"
1 71 PRO 0.954 0.096 20 0 "[ . 1 . 2]"
1 74 THR 0.954 0.096 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 59 THR O 1 66 GLN H 1.950 . 2.100 2.239 2.211 2.267 0.167 6 0 "[ . 1 . 2]" 2
2 1 59 THR H 1 66 GLN O 1.950 . 2.100 1.772 1.720 1.854 0.080 13 0 "[ . 1 . 2]" 2
3 1 57 VAL O 1 68 GLY H 1.950 . 2.100 1.780 1.723 1.843 0.077 18 0 "[ . 1 . 2]" 2
4 1 57 VAL H 1 68 GLY O 1.950 . 2.100 2.000 1.810 2.121 0.021 1 0 "[ . 1 . 2]" 2
5 1 59 THR O 1 66 GLN N 2.450 . 3.100 3.101 3.055 3.133 0.033 18 0 "[ . 1 . 2]" 2
6 1 59 THR N 1 66 GLN O 2.900 2.700 3.100 2.693 2.606 2.765 0.094 18 0 "[ . 1 . 2]" 2
7 1 57 VAL O 1 68 GLY N 2.450 . 3.100 2.483 2.446 2.519 . 0 0 "[ . 1 . 2]" 2
8 1 57 VAL N 1 68 GLY O 2.900 2.700 3.100 2.961 2.770 3.084 . 0 0 "[ . 1 . 2]" 2
9 1 26 PHE H 1 36 ILE O 1.950 . 2.100 1.819 1.779 1.992 0.021 1 0 "[ . 1 . 2]" 2
10 1 26 PHE O 1 36 ILE H 1.950 . 2.100 1.670 1.647 1.696 0.153 20 0 "[ . 1 . 2]" 2
11 1 26 PHE N 1 36 ILE O 2.900 2.700 3.100 2.762 2.723 2.929 . 0 0 "[ . 1 . 2]" 2
12 1 26 PHE O 1 36 ILE N 2.450 . 3.100 2.569 2.561 2.573 . 0 0 "[ . 1 . 2]" 2
13 1 30 HIS O 1 33 GLU H 1.950 . 2.100 2.262 2.200 2.287 0.187 17 0 "[ . 1 . 2]" 2
14 1 30 HIS O 1 33 GLU N 2.450 . 3.100 3.125 3.059 3.141 0.041 8 0 "[ . 1 . 2]" 2
15 1 18 GLU H 1 44 LEU O 1.950 . 2.100 2.274 2.245 2.317 0.217 13 0 "[ . 1 . 2]" 2
16 1 20 THR H 1 42 VAL O 1.950 . 2.100 2.102 1.997 2.238 0.138 8 0 "[ . 1 . 2]" 2
17 1 20 THR O 1 42 VAL H 1.950 . 2.100 1.820 1.757 1.914 0.043 5 0 "[ . 1 . 2]" 2
18 1 18 GLU N 1 44 LEU O 2.900 2.700 3.100 3.195 3.159 3.224 0.124 2 0 "[ . 1 . 2]" 2
19 1 20 THR N 1 42 VAL O 2.900 2.700 3.100 2.915 2.828 3.025 . 0 0 "[ . 1 . 2]" 2
20 1 20 THR O 1 42 VAL N 2.450 . 3.100 2.757 2.590 2.832 . 0 0 "[ . 1 . 2]" 2
21 1 71 PRO O 1 74 THR H 1.950 . 2.100 1.752 1.704 1.795 0.096 20 0 "[ . 1 . 2]" 2
22 1 71 PRO O 1 74 THR N 2.450 . 3.100 2.671 2.627 2.713 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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