NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601024 |
2rvl   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rvl
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 613
_Distance_constraint_stats_list.Viol_count 484
_Distance_constraint_stats_list.Viol_total 124.719
_Distance_constraint_stats_list.Viol_max 0.152
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 4 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.008 0.008 17 0 "[ . 1 . 2]"
1 7 LYS 0.008 0.008 17 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.076 0.076 8 0 "[ . 1 . 2]"
1 12 ALA 0.076 0.076 8 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.386 0.055 20 0 "[ . 1 . 2]"
1 23 TYR 0.386 0.055 20 0 "[ . 1 . 2]"
1 24 VAL 0.006 0.006 1 0 "[ . 1 . 2]"
1 25 VAL 0.075 0.012 15 0 "[ . 1 . 2]"
1 26 GLU 0.011 0.006 10 0 "[ . 1 . 2]"
1 27 LYS 0.395 0.040 1 0 "[ . 1 . 2]"
1 28 VAL 3.578 0.077 7 0 "[ . 1 . 2]"
1 29 LEU 0.124 0.014 1 0 "[ . 1 . 2]"
1 30 ASP 0.872 0.063 17 0 "[ . 1 . 2]"
1 31 ARG 0.354 0.024 16 0 "[ . 1 . 2]"
1 32 ARG 0.129 0.086 16 0 "[ . 1 . 2]"
1 33 MET 0.304 0.152 20 0 "[ . 1 . 2]"
1 34 VAL 0.303 0.152 20 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.001 0.001 17 0 "[ . 1 . 2]"
1 39 GLU 0.002 0.002 19 0 "[ . 1 . 2]"
1 40 TYR 0.140 0.012 12 0 "[ . 1 . 2]"
1 41 LEU 0.091 0.014 1 0 "[ . 1 . 2]"
1 42 LEU 0.044 0.008 20 0 "[ . 1 . 2]"
1 43 LYS 0.060 0.008 13 0 "[ . 1 . 2]"
1 44 TRP 0.291 0.041 15 0 "[ . 1 . 2]"
1 45 LYS 0.013 0.006 1 0 "[ . 1 . 2]"
1 46 GLY 0.006 0.004 1 0 "[ . 1 . 2]"
1 47 PHE 0.051 0.010 10 0 "[ . 1 . 2]"
1 48 SER 0.005 0.005 15 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 4 0 "[ . 1 . 2]"
1 50 GLU 0.005 0.003 6 0 "[ . 1 . 2]"
1 51 HIS 0.033 0.006 15 0 "[ . 1 . 2]"
1 52 ASN 0.014 0.005 10 0 "[ . 1 . 2]"
1 53 THR 0.236 0.038 13 0 "[ . 1 . 2]"
1 54 TRP 0.094 0.012 11 0 "[ . 1 . 2]"
1 55 GLU 0.134 0.009 14 0 "[ . 1 . 2]"
1 56 PRO 0.004 0.002 19 0 "[ . 1 . 2]"
1 57 GLU 0.075 0.011 15 0 "[ . 1 . 2]"
1 58 LYS 0.077 0.048 1 0 "[ . 1 . 2]"
1 59 ASN 0.143 0.009 14 0 "[ . 1 . 2]"
1 60 LEU 0.259 0.011 15 0 "[ . 1 . 2]"
1 61 ASP 0.112 0.011 6 0 "[ . 1 . 2]"
1 62 CYS 0.000 0.000 8 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.758 0.077 7 0 "[ . 1 . 2]"
1 66 ILE 0.072 0.011 17 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 0.050 0.011 17 0 "[ . 1 . 2]"
1 69 PHE 0.170 0.020 11 0 "[ . 1 . 2]"
1 70 MET 0.031 0.008 10 0 "[ . 1 . 2]"
1 71 LYS 0.014 0.004 10 0 "[ . 1 . 2]"
1 72 LYS 0.002 0.001 4 0 "[ . 1 . 2]"
1 73 TYR 0.160 0.020 19 0 "[ . 1 . 2]"
1 74 LYS 0.011 0.005 13 0 "[ . 1 . 2]"
1 75 LYS 0.011 0.005 13 0 "[ . 1 . 2]"
1 76 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.105 0.057 16 0 "[ . 1 . 2]"
1 78 GLU 0.104 0.057 16 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 0.074 0.074 1 0 "[ . 1 . 2]"
1 81 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ASN 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 4 MET HA 1 4 MET ME . . 4.360 3.994 3.080 4.356 . 0 0 "[ . 1 . 2]" 1
2 1 4 MET QB 1 5 GLY H . . 4.450 2.891 2.001 3.986 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLY H 1 6 LYS H . . 5.280 3.533 2.123 4.607 . 0 0 "[ . 1 . 2]" 1
4 1 6 LYS H 1 6 LYS QG . . 4.020 2.836 1.970 3.993 . 0 0 "[ . 1 . 2]" 1
5 1 6 LYS HA 1 7 LYS H . . 3.400 2.277 2.140 3.046 . 0 0 "[ . 1 . 2]" 1
6 1 6 LYS QB 1 6 LYS QE . . 4.360 2.815 2.013 3.651 . 0 0 "[ . 1 . 2]" 1
7 1 6 LYS QB 1 7 LYS H . . 3.660 3.074 2.409 3.668 0.008 17 0 "[ . 1 . 2]" 1
8 1 8 THR HA 1 8 THR MG . . 3.010 2.211 2.015 2.395 . 0 0 "[ . 1 . 2]" 1
9 1 8 THR HA 1 9 LYS H . . 3.250 2.364 2.141 2.811 . 0 0 "[ . 1 . 2]" 1
10 1 9 LYS H 1 9 LYS QB . . 3.540 2.750 2.218 3.396 . 0 0 "[ . 1 . 2]" 1
11 1 9 LYS HA 1 10 ARG H . . 3.100 2.357 2.141 2.955 . 0 0 "[ . 1 . 2]" 1
12 1 10 ARG HA 1 10 ARG QD . . 4.040 3.046 2.130 4.030 . 0 0 "[ . 1 . 2]" 1
13 1 10 ARG HA 1 10 ARG QG . . 3.600 2.485 2.163 3.354 . 0 0 "[ . 1 . 2]" 1
14 1 10 ARG HB2 1 11 THR H . . 5.150 4.101 2.515 4.654 . 0 0 "[ . 1 . 2]" 1
15 1 10 ARG HB3 1 11 THR H . . 5.150 3.604 2.303 4.425 . 0 0 "[ . 1 . 2]" 1
16 1 10 ARG QG 1 11 THR H . . 5.340 3.673 2.427 4.780 . 0 0 "[ . 1 . 2]" 1
17 1 11 THR HA 1 11 THR MG . . 3.250 2.596 2.100 3.207 . 0 0 "[ . 1 . 2]" 1
18 1 11 THR HA 1 12 ALA H . . 3.480 2.644 2.142 3.556 0.076 8 0 "[ . 1 . 2]" 1
19 1 12 ALA HA 1 13 ASP H . . 3.560 2.331 2.141 2.844 . 0 0 "[ . 1 . 2]" 1
20 1 12 ALA MB 1 13 ASP H . . 4.110 2.962 2.105 3.677 . 0 0 "[ . 1 . 2]" 1
21 1 13 ASP QB 1 14 SER H . . 4.390 2.931 2.284 3.980 . 0 0 "[ . 1 . 2]" 1
22 1 14 SER QB 1 15 SER H . . 4.880 3.421 2.505 4.029 . 0 0 "[ . 1 . 2]" 1
23 1 15 SER QB 1 16 SER H . . 4.500 3.206 2.351 4.019 . 0 0 "[ . 1 . 2]" 1
24 1 17 SER QB 1 18 GLU H . . 4.030 3.005 2.032 4.018 . 0 0 "[ . 1 . 2]" 1
25 1 18 GLU H 1 18 GLU QB . . 3.540 2.591 2.223 3.326 . 0 0 "[ . 1 . 2]" 1
26 1 18 GLU HA 1 18 GLU QG . . 3.790 2.661 2.150 3.439 . 0 0 "[ . 1 . 2]" 1
27 1 18 GLU HA 1 19 ASP H . . 3.080 2.389 2.175 2.632 . 0 0 "[ . 1 . 2]" 1
28 1 18 GLU QB 1 19 ASP H . . 3.080 2.586 1.941 3.078 . 0 0 "[ . 1 . 2]" 1
29 1 19 ASP H 1 19 ASP QB . . 3.370 2.465 2.167 2.821 . 0 0 "[ . 1 . 2]" 1
30 1 19 ASP QB 1 20 GLU H . . 3.830 2.714 2.170 3.632 . 0 0 "[ . 1 . 2]" 1
31 1 20 GLU HA 1 21 GLU H . . 2.900 2.307 2.140 2.519 . 0 0 "[ . 1 . 2]" 1
32 1 20 GLU HA 1 21 GLU QB . . 4.490 4.247 4.079 4.475 . 0 0 "[ . 1 . 2]" 1
33 1 20 GLU QB 1 21 GLU H . . 3.370 2.880 2.186 3.369 . 0 0 "[ . 1 . 2]" 1
34 1 21 GLU H 1 21 GLU QB . . 3.580 2.877 2.318 3.090 . 0 0 "[ . 1 . 2]" 1
35 1 21 GLU H 1 21 GLU QG . . 3.530 2.497 2.133 3.329 . 0 0 "[ . 1 . 2]" 1
36 1 21 GLU HA 1 21 GLU QG . . 3.680 3.362 3.326 3.460 . 0 0 "[ . 1 . 2]" 1
37 1 21 GLU HA 1 22 GLU H . . 3.200 2.379 2.187 2.718 . 0 0 "[ . 1 . 2]" 1
38 1 21 GLU QB 1 22 GLU H . . 3.890 2.553 1.970 3.033 . 0 0 "[ . 1 . 2]" 1
39 1 21 GLU QG 1 22 GLU H . . 3.790 3.419 2.632 3.786 . 0 0 "[ . 1 . 2]" 1
40 1 21 GLU QG 1 22 GLU HA . . 4.200 3.803 3.469 4.094 . 0 0 "[ . 1 . 2]" 1
41 1 22 GLU HA 1 22 GLU QG . . 3.120 2.442 2.193 3.009 . 0 0 "[ . 1 . 2]" 1
42 1 22 GLU HA 1 23 TYR H . . 3.500 2.969 2.145 3.555 0.055 20 0 "[ . 1 . 2]" 1
43 1 22 GLU QB 1 23 TYR H . . 4.150 2.562 1.939 3.914 . 0 0 "[ . 1 . 2]" 1
44 1 22 GLU HB2 1 23 TYR H . . 4.780 3.283 2.034 4.579 . 0 0 "[ . 1 . 2]" 1
45 1 22 GLU HB3 1 23 TYR H . . 4.780 2.911 1.948 4.250 . 0 0 "[ . 1 . 2]" 1
46 1 23 TYR H 1 23 TYR QB . . 3.390 2.847 2.371 3.055 . 0 0 "[ . 1 . 2]" 1
47 1 23 TYR H 1 23 TYR QD . . 4.140 2.724 2.303 3.547 . 0 0 "[ . 1 . 2]" 1
48 1 23 TYR H 1 24 VAL H . . 5.270 4.304 4.003 4.626 . 0 0 "[ . 1 . 2]" 1
49 1 23 TYR HA 1 23 TYR QD . . 4.040 3.278 2.227 3.727 . 0 0 "[ . 1 . 2]" 1
50 1 23 TYR HA 1 24 VAL H . . 3.310 2.162 2.137 2.296 . 0 0 "[ . 1 . 2]" 1
51 1 23 TYR QB 1 24 VAL H . . 4.210 3.338 2.651 3.723 . 0 0 "[ . 1 . 2]" 1
52 1 24 VAL H 1 24 VAL HB . . 3.960 3.477 2.822 3.741 . 0 0 "[ . 1 . 2]" 1
53 1 24 VAL H 1 24 VAL QG . . 3.720 2.138 1.904 2.888 . 0 0 "[ . 1 . 2]" 1
54 1 24 VAL H 1 45 LYS QD . . 5.390 3.896 3.058 5.312 . 0 0 "[ . 1 . 2]" 1
55 1 24 VAL HA 1 24 VAL QG . . 2.980 2.172 2.058 2.302 . 0 0 "[ . 1 . 2]" 1
56 1 24 VAL HA 1 25 VAL H . . 3.030 2.254 2.148 2.319 . 0 0 "[ . 1 . 2]" 1
57 1 24 VAL QG 1 25 VAL H . . 3.520 2.789 1.957 3.507 . 0 0 "[ . 1 . 2]" 1
58 1 24 VAL QG 1 45 LYS H . . 4.650 3.597 3.061 4.233 . 0 0 "[ . 1 . 2]" 1
59 1 24 VAL QG 1 45 LYS QD . . 3.560 3.029 2.044 3.566 0.006 1 0 "[ . 1 . 2]" 1
60 1 25 VAL H 1 25 VAL HB . . 3.370 2.589 2.515 2.641 . 0 0 "[ . 1 . 2]" 1
61 1 25 VAL H 1 25 VAL QG . . 3.360 2.113 1.918 2.184 . 0 0 "[ . 1 . 2]" 1
62 1 25 VAL H 1 26 GLU H . . 4.630 4.611 4.566 4.635 0.005 15 0 "[ . 1 . 2]" 1
63 1 25 VAL H 1 44 TRP HZ3 . . 4.750 2.642 2.056 3.094 . 0 0 "[ . 1 . 2]" 1
64 1 25 VAL HA 1 25 VAL MG1 . . 3.690 2.710 2.314 3.188 . 0 0 "[ . 1 . 2]" 1
65 1 25 VAL HA 1 25 VAL MG2 . . 3.690 2.351 2.284 2.440 . 0 0 "[ . 1 . 2]" 1
66 1 25 VAL HA 1 26 GLU H . . 3.260 2.210 2.161 2.258 . 0 0 "[ . 1 . 2]" 1
67 1 25 VAL HA 1 27 LYS H . . 4.560 4.304 4.003 4.425 . 0 0 "[ . 1 . 2]" 1
68 1 25 VAL HA 1 43 LYS QG . . 5.500 5.404 5.071 5.503 0.003 10 0 "[ . 1 . 2]" 1
69 1 25 VAL HA 1 44 TRP H . . 4.850 4.559 4.430 4.610 . 0 0 "[ . 1 . 2]" 1
70 1 25 VAL HA 1 44 TRP HA . . 3.800 2.577 2.388 2.739 . 0 0 "[ . 1 . 2]" 1
71 1 25 VAL HA 1 44 TRP HH2 . . 5.500 5.330 4.998 5.512 0.012 15 0 "[ . 1 . 2]" 1
72 1 25 VAL HA 1 45 LYS H . . 4.010 3.773 3.318 4.011 0.001 5 0 "[ . 1 . 2]" 1
73 1 25 VAL HA 1 45 LYS QG . . 5.500 5.067 4.500 5.438 . 0 0 "[ . 1 . 2]" 1
74 1 25 VAL HB 1 44 TRP HA . . 5.500 5.143 4.380 5.509 0.009 16 0 "[ . 1 . 2]" 1
75 1 25 VAL QG 1 26 GLU H . . 3.770 2.181 2.046 2.361 . 0 0 "[ . 1 . 2]" 1
76 1 25 VAL QG 1 27 LYS H . . 3.700 2.855 2.647 3.006 . 0 0 "[ . 1 . 2]" 1
77 1 25 VAL QG 1 43 LYS H . . 3.920 3.121 2.746 3.483 . 0 0 "[ . 1 . 2]" 1
78 1 25 VAL QG 1 44 TRP HA . . 4.610 3.869 3.463 4.276 . 0 0 "[ . 1 . 2]" 1
79 1 25 VAL QG 1 44 TRP HH2 . . 3.700 3.169 2.623 3.570 . 0 0 "[ . 1 . 2]" 1
80 1 25 VAL MG1 1 44 TRP HA . . 5.290 4.637 3.823 5.279 . 0 0 "[ . 1 . 2]" 1
81 1 25 VAL MG2 1 44 TRP HA . . 5.290 4.171 3.847 4.543 . 0 0 "[ . 1 . 2]" 1
82 1 26 GLU H 1 26 GLU QB . . 3.440 2.409 2.335 2.458 . 0 0 "[ . 1 . 2]" 1
83 1 26 GLU H 1 26 GLU QG . . 4.570 3.882 2.872 4.152 . 0 0 "[ . 1 . 2]" 1
84 1 26 GLU H 1 27 LYS H . . 3.320 2.247 2.032 2.340 . 0 0 "[ . 1 . 2]" 1
85 1 26 GLU H 1 43 LYS H . . 4.890 3.413 3.284 3.832 . 0 0 "[ . 1 . 2]" 1
86 1 26 GLU H 1 43 LYS QG . . 4.650 4.224 3.886 4.656 0.006 10 0 "[ . 1 . 2]" 1
87 1 26 GLU H 1 44 TRP HA . . 4.140 3.467 3.123 3.713 . 0 0 "[ . 1 . 2]" 1
88 1 26 GLU HA 1 26 GLU QG . . 3.890 2.531 2.195 3.138 . 0 0 "[ . 1 . 2]" 1
89 1 27 LYS H 1 27 LYS QB . . 3.480 3.259 2.816 3.394 . 0 0 "[ . 1 . 2]" 1
90 1 27 LYS H 1 28 VAL H . . 4.640 4.333 4.307 4.366 . 0 0 "[ . 1 . 2]" 1
91 1 27 LYS HA 1 27 LYS QG . . 3.780 3.198 2.100 3.434 . 0 0 "[ . 1 . 2]" 1
92 1 27 LYS HA 1 28 VAL H . . 3.020 2.391 2.356 2.435 . 0 0 "[ . 1 . 2]" 1
93 1 27 LYS HA 1 28 VAL HB . . 4.710 4.726 4.681 4.750 0.040 1 0 "[ . 1 . 2]" 1
94 1 27 LYS HA 1 65 LEU MD1 . . 3.790 1.953 1.927 2.005 . 0 0 "[ . 1 . 2]" 1
95 1 27 LYS QB 1 28 VAL H . . 3.640 2.525 2.345 3.329 . 0 0 "[ . 1 . 2]" 1
96 1 27 LYS QB 1 65 LEU MD1 . . 4.290 3.391 3.264 3.756 . 0 0 "[ . 1 . 2]" 1
97 1 27 LYS HB2 1 27 LYS QE . . 4.900 3.025 2.061 4.281 . 0 0 "[ . 1 . 2]" 1
98 1 27 LYS HB2 1 65 LEU MD1 . . 4.980 3.708 3.524 4.437 . 0 0 "[ . 1 . 2]" 1
99 1 27 LYS HB3 1 27 LYS QE . . 4.900 3.214 2.126 4.149 . 0 0 "[ . 1 . 2]" 1
100 1 27 LYS HB3 1 65 LEU MD1 . . 4.980 3.951 3.684 4.399 . 0 0 "[ . 1 . 2]" 1
101 1 28 VAL H 1 28 VAL HB . . 3.810 2.360 2.333 2.385 . 0 0 "[ . 1 . 2]" 1
102 1 28 VAL H 1 28 VAL MG1 . . 3.660 3.720 3.706 3.731 0.071 3 0 "[ . 1 . 2]" 1
103 1 28 VAL H 1 65 LEU MD1 . . 4.150 2.157 2.055 2.378 . 0 0 "[ . 1 . 2]" 1
104 1 28 VAL H 1 69 PHE QB . . 4.860 4.584 4.372 4.799 . 0 0 "[ . 1 . 2]" 1
105 1 28 VAL HA 1 28 VAL MG1 . . 3.630 2.490 2.469 2.511 . 0 0 "[ . 1 . 2]" 1
106 1 28 VAL HA 1 28 VAL MG2 . . 3.670 2.315 2.244 2.340 . 0 0 "[ . 1 . 2]" 1
107 1 28 VAL HA 1 29 LEU H . . 3.260 2.188 2.173 2.203 . 0 0 "[ . 1 . 2]" 1
108 1 28 VAL HA 1 30 ASP H . . 4.470 3.625 3.549 3.689 . 0 0 "[ . 1 . 2]" 1
109 1 28 VAL HA 1 42 LEU HA . . 3.860 2.598 2.300 3.239 . 0 0 "[ . 1 . 2]" 1
110 1 28 VAL HA 1 43 LYS H . . 4.900 3.659 3.436 3.880 . 0 0 "[ . 1 . 2]" 1
111 1 28 VAL HA 1 65 LEU MD1 . . 4.250 3.443 3.321 3.719 . 0 0 "[ . 1 . 2]" 1
112 1 28 VAL HB 1 29 LEU H . . 4.790 4.167 4.120 4.216 . 0 0 "[ . 1 . 2]" 1
113 1 28 VAL HB 1 69 PHE HA . . 5.230 5.215 4.961 5.247 0.017 15 0 "[ . 1 . 2]" 1
114 1 28 VAL HB 1 69 PHE HB2 . . 5.130 2.895 2.694 2.991 . 0 0 "[ . 1 . 2]" 1
115 1 28 VAL HB 1 69 PHE QB . . 4.330 2.810 2.637 2.918 . 0 0 "[ . 1 . 2]" 1
116 1 28 VAL HB 1 69 PHE HB3 . . 5.130 3.806 3.649 4.063 . 0 0 "[ . 1 . 2]" 1
117 1 28 VAL MG1 1 40 TYR HB3 . . 4.810 3.360 2.891 3.630 . 0 0 "[ . 1 . 2]" 1
118 1 28 VAL MG1 1 65 LEU HB2 . . 4.740 4.463 4.356 4.681 . 0 0 "[ . 1 . 2]" 1
119 1 28 VAL MG1 1 65 LEU HB3 . . 3.810 3.848 3.829 3.887 0.077 7 0 "[ . 1 . 2]" 1
120 1 28 VAL MG1 1 66 ILE HA . . 4.070 3.698 3.496 3.904 . 0 0 "[ . 1 . 2]" 1
121 1 28 VAL MG1 1 66 ILE MG . . 4.400 4.220 4.037 4.405 0.005 17 0 "[ . 1 . 2]" 1
122 1 28 VAL MG1 1 69 PHE HB2 . . 5.500 3.013 2.702 3.119 . 0 0 "[ . 1 . 2]" 1
123 1 28 VAL MG1 1 69 PHE HB3 . . 5.500 3.350 3.139 3.494 . 0 0 "[ . 1 . 2]" 1
124 1 28 VAL MG2 1 29 LEU H . . 3.930 3.739 3.695 3.807 . 0 0 "[ . 1 . 2]" 1
125 1 28 VAL MG2 1 30 ASP H . . 4.130 4.174 4.150 4.193 0.063 17 0 "[ . 1 . 2]" 1
126 1 28 VAL MG2 1 31 ARG QD . . 5.340 5.335 5.216 5.364 0.024 16 0 "[ . 1 . 2]" 1
127 1 28 VAL MG2 1 40 TYR HA . . 5.270 4.736 4.577 4.951 . 0 0 "[ . 1 . 2]" 1
128 1 28 VAL MG2 1 40 TYR HB2 . . 4.260 3.983 3.578 4.266 0.006 1 0 "[ . 1 . 2]" 1
129 1 28 VAL MG2 1 40 TYR HB3 . . 3.930 2.760 2.553 2.935 . 0 0 "[ . 1 . 2]" 1
130 1 28 VAL MG2 1 40 TYR QD . . 3.670 2.895 2.797 3.097 . 0 0 "[ . 1 . 2]" 1
131 1 28 VAL MG2 1 40 TYR QE . . 4.100 4.056 3.818 4.112 0.012 12 0 "[ . 1 . 2]" 1
132 1 28 VAL MG2 1 41 LEU H . . 4.900 4.320 3.979 4.596 . 0 0 "[ . 1 . 2]" 1
133 1 28 VAL MG2 1 69 PHE QB . . 4.330 3.620 3.394 3.757 . 0 0 "[ . 1 . 2]" 1
134 1 28 VAL MG2 1 69 PHE QD . . 4.290 4.196 4.011 4.310 0.020 11 0 "[ . 1 . 2]" 1
135 1 28 VAL MG2 1 69 PHE QE . . 5.220 5.194 5.089 5.227 0.007 15 0 "[ . 1 . 2]" 1
136 1 29 LEU H 1 29 LEU MD1 . . 4.200 4.185 4.118 4.213 0.013 17 0 "[ . 1 . 2]" 1
137 1 29 LEU H 1 29 LEU HG . . 3.770 3.545 3.434 3.574 . 0 0 "[ . 1 . 2]" 1
138 1 29 LEU H 1 30 ASP H . . 3.390 1.931 1.896 2.032 . 0 0 "[ . 1 . 2]" 1
139 1 29 LEU H 1 30 ASP QB . . 5.340 4.227 4.092 4.385 . 0 0 "[ . 1 . 2]" 1
140 1 29 LEU H 1 41 LEU QB . . 4.500 3.052 2.335 3.524 . 0 0 "[ . 1 . 2]" 1
141 1 29 LEU H 1 43 LYS H . . 4.910 4.247 3.911 4.448 . 0 0 "[ . 1 . 2]" 1
142 1 29 LEU HA 1 29 LEU MD1 . . 4.280 3.806 3.797 3.815 . 0 0 "[ . 1 . 2]" 1
143 1 29 LEU HA 1 29 LEU MD2 . . 3.080 2.079 1.986 2.184 . 0 0 "[ . 1 . 2]" 1
144 1 29 LEU HA 1 29 LEU HG . . 4.230 2.815 2.752 2.885 . 0 0 "[ . 1 . 2]" 1
145 1 29 LEU QB 1 41 LEU QD . . 3.550 2.134 1.902 2.566 . 0 0 "[ . 1 . 2]" 1
146 1 29 LEU HB2 1 41 LEU HB2 . . 5.500 4.634 4.070 4.969 . 0 0 "[ . 1 . 2]" 1
147 1 29 LEU HB2 1 41 LEU HB3 . . 5.500 3.104 2.469 3.575 . 0 0 "[ . 1 . 2]" 1
148 1 29 LEU HB2 1 41 LEU MD1 . . 4.790 3.956 1.957 4.430 . 0 0 "[ . 1 . 2]" 1
149 1 29 LEU HB2 1 41 LEU MD2 . . 4.790 2.700 1.965 4.396 . 0 0 "[ . 1 . 2]" 1
150 1 29 LEU HB3 1 41 LEU HB2 . . 5.500 5.198 4.546 5.503 0.003 9 0 "[ . 1 . 2]" 1
151 1 29 LEU HB3 1 41 LEU HB3 . . 5.500 3.798 3.242 4.132 . 0 0 "[ . 1 . 2]" 1
152 1 29 LEU HB3 1 41 LEU MD1 . . 4.790 4.424 3.034 4.796 0.006 10 0 "[ . 1 . 2]" 1
153 1 29 LEU HB3 1 41 LEU MD2 . . 4.790 2.724 2.056 4.804 0.014 1 0 "[ . 1 . 2]" 1
154 1 29 LEU MD1 1 41 LEU QD . . 3.680 2.737 2.170 3.122 . 0 0 "[ . 1 . 2]" 1
155 1 29 LEU MD1 1 43 LYS HA . . 4.460 2.893 2.528 3.235 . 0 0 "[ . 1 . 2]" 1
156 1 29 LEU MD1 1 43 LYS QB . . 3.860 1.998 1.903 2.264 . 0 0 "[ . 1 . 2]" 1
157 1 29 LEU MD1 1 44 TRP H . . 5.280 4.687 4.200 5.017 . 0 0 "[ . 1 . 2]" 1
158 1 29 LEU MD1 1 52 ASN HA . . 5.500 5.037 4.339 5.500 . 0 0 "[ . 1 . 2]" 1
159 1 29 LEU MD1 1 52 ASN QB . . 5.340 3.526 3.039 4.002 . 0 0 "[ . 1 . 2]" 1
160 1 29 LEU MD1 1 52 ASN HD21 . . 4.000 2.247 1.870 3.310 . 0 0 "[ . 1 . 2]" 1
161 1 29 LEU MD1 1 52 ASN HD22 . . 4.000 2.484 1.871 4.000 . 0 0 "[ . 1 . 2]" 1
162 1 29 LEU MD2 1 43 LYS QB . . 3.530 3.459 3.302 3.538 0.008 13 0 "[ . 1 . 2]" 1
163 1 30 ASP H 1 30 ASP QB . . 3.670 2.963 2.906 2.978 . 0 0 "[ . 1 . 2]" 1
164 1 30 ASP H 1 31 ARG HA . . 5.310 4.680 4.627 4.717 . 0 0 "[ . 1 . 2]" 1
165 1 30 ASP H 1 40 TYR HA . . 5.500 4.991 4.836 5.108 . 0 0 "[ . 1 . 2]" 1
166 1 30 ASP H 1 41 LEU QB . . 3.610 2.547 2.105 2.854 . 0 0 "[ . 1 . 2]" 1
167 1 30 ASP HA 1 31 ARG H . . 3.360 2.447 2.399 2.474 . 0 0 "[ . 1 . 2]" 1
168 1 30 ASP HA 1 69 PHE QE . . 4.150 2.765 2.001 3.058 . 0 0 "[ . 1 . 2]" 1
169 1 30 ASP QB 1 41 LEU QB . . 4.120 2.244 1.949 2.556 . 0 0 "[ . 1 . 2]" 1
170 1 30 ASP QB 1 41 LEU QD . . 3.860 2.218 1.866 3.610 . 0 0 "[ . 1 . 2]" 1
171 1 30 ASP QB 1 54 TRP HZ2 . . 4.190 3.705 3.512 3.898 . 0 0 "[ . 1 . 2]" 1
172 1 30 ASP HB2 1 41 LEU MD1 . . 5.500 4.218 2.338 4.888 . 0 0 "[ . 1 . 2]" 1
173 1 30 ASP HB2 1 41 LEU MD2 . . 5.500 2.665 1.973 4.958 . 0 0 "[ . 1 . 2]" 1
174 1 30 ASP HB2 1 54 TRP HZ3 . . 5.400 4.455 3.778 4.895 . 0 0 "[ . 1 . 2]" 1
175 1 30 ASP HB3 1 41 LEU MD1 . . 5.500 4.100 2.632 5.265 . 0 0 "[ . 1 . 2]" 1
176 1 30 ASP HB3 1 41 LEU MD2 . . 5.500 3.150 2.309 4.897 . 0 0 "[ . 1 . 2]" 1
177 1 30 ASP HB3 1 54 TRP HZ3 . . 5.400 2.850 2.525 3.178 . 0 0 "[ . 1 . 2]" 1
178 1 31 ARG H 1 31 ARG QB . . 3.390 2.634 2.523 2.686 . 0 0 "[ . 1 . 2]" 1
179 1 31 ARG H 1 54 TRP HZ3 . . 4.380 3.107 2.916 3.439 . 0 0 "[ . 1 . 2]" 1
180 1 31 ARG H 1 73 TYR QD . . 4.810 4.156 3.829 4.567 . 0 0 "[ . 1 . 2]" 1
181 1 31 ARG HA 1 32 ARG H . . 3.350 2.167 2.141 2.224 . 0 0 "[ . 1 . 2]" 1
182 1 31 ARG HA 1 38 VAL QG . . 5.440 4.845 4.544 5.275 . 0 0 "[ . 1 . 2]" 1
183 1 31 ARG HA 1 40 TYR HB3 . . 5.500 4.311 4.017 4.518 . 0 0 "[ . 1 . 2]" 1
184 1 31 ARG HA 1 40 TYR QD . . 4.670 3.374 3.129 3.510 . 0 0 "[ . 1 . 2]" 1
185 1 31 ARG HA 1 40 TYR QE . . 4.420 4.377 4.163 4.425 0.005 2 0 "[ . 1 . 2]" 1
186 1 31 ARG HA 1 54 TRP HH2 . . 4.600 4.551 4.242 4.612 0.012 11 0 "[ . 1 . 2]" 1
187 1 31 ARG QB 1 38 VAL QG . . 5.280 4.663 4.346 5.040 . 0 0 "[ . 1 . 2]" 1
188 1 31 ARG QB 1 40 TYR QD . . 5.340 2.662 2.527 2.831 . 0 0 "[ . 1 . 2]" 1
189 1 31 ARG QB 1 40 TYR QE . . 4.290 2.674 2.342 2.856 . 0 0 "[ . 1 . 2]" 1
190 1 31 ARG QB 1 69 PHE QD . . 5.340 3.270 3.001 3.564 . 0 0 "[ . 1 . 2]" 1
191 1 31 ARG QB 1 69 PHE QE . . 4.140 1.923 1.890 1.968 . 0 0 "[ . 1 . 2]" 1
192 1 31 ARG QB 1 73 TYR QE . . 5.340 2.793 2.671 3.154 . 0 0 "[ . 1 . 2]" 1
193 1 31 ARG HB2 1 40 TYR QE . . 4.940 2.714 2.367 2.904 . 0 0 "[ . 1 . 2]" 1
194 1 31 ARG HB2 1 73 TYR QD . . 5.500 4.526 4.292 4.915 . 0 0 "[ . 1 . 2]" 1
195 1 31 ARG HB3 1 40 TYR QE . . 4.940 4.032 3.715 4.305 . 0 0 "[ . 1 . 2]" 1
196 1 31 ARG HB3 1 73 TYR QD . . 5.500 3.315 2.991 3.743 . 0 0 "[ . 1 . 2]" 1
197 1 31 ARG QD 1 38 VAL QG . . 4.650 3.679 2.903 4.303 . 0 0 "[ . 1 . 2]" 1
198 1 31 ARG QD 1 40 TYR QD . . 4.910 3.721 3.523 3.904 . 0 0 "[ . 1 . 2]" 1
199 1 31 ARG HD2 1 40 TYR QE . . 3.800 2.294 1.994 3.067 . 0 0 "[ . 1 . 2]" 1
200 1 31 ARG HD3 1 40 TYR QE . . 3.800 3.085 1.997 3.729 . 0 0 "[ . 1 . 2]" 1
201 1 31 ARG HG2 1 32 ARG H . . 3.850 3.062 2.571 3.497 . 0 0 "[ . 1 . 2]" 1
202 1 31 ARG HG2 1 38 VAL QG . . 5.060 3.768 3.356 4.327 . 0 0 "[ . 1 . 2]" 1
203 1 31 ARG HG2 1 73 TYR QD . . 5.500 5.365 4.930 5.511 0.011 9 0 "[ . 1 . 2]" 1
204 1 31 ARG HG3 1 38 VAL QG . . 4.680 3.197 2.862 3.628 . 0 0 "[ . 1 . 2]" 1
205 1 31 ARG HG3 1 40 TYR QE . . 4.240 2.969 2.756 3.327 . 0 0 "[ . 1 . 2]" 1
206 1 31 ARG HG3 1 73 TYR QE . . 5.500 5.503 5.470 5.520 0.020 19 0 "[ . 1 . 2]" 1
207 1 32 ARG H 1 32 ARG QG . . 3.870 3.396 2.548 3.956 0.086 16 0 "[ . 1 . 2]" 1
208 1 32 ARG H 1 54 TRP HH2 . . 4.770 4.726 4.339 4.778 0.008 11 0 "[ . 1 . 2]" 1
209 1 32 ARG H 1 54 TRP HZ3 . . 4.730 2.583 2.265 2.802 . 0 0 "[ . 1 . 2]" 1
210 1 32 ARG QB 1 33 MET H . . 4.100 2.263 1.999 3.591 . 0 0 "[ . 1 . 2]" 1
211 1 32 ARG QG 1 54 TRP HH2 . . 4.960 2.612 2.181 4.969 0.009 16 0 "[ . 1 . 2]" 1
212 1 33 MET H 1 34 VAL QG . . 4.250 3.634 3.414 3.927 . 0 0 "[ . 1 . 2]" 1
213 1 33 MET HA 1 33 MET ME . . 4.440 4.087 3.205 4.201 . 0 0 "[ . 1 . 2]" 1
214 1 33 MET HA 1 33 MET QG . . 3.990 2.416 2.157 2.557 . 0 0 "[ . 1 . 2]" 1
215 1 33 MET HA 1 34 VAL H . . 2.950 2.206 2.175 2.265 . 0 0 "[ . 1 . 2]" 1
216 1 33 MET HA 1 34 VAL MG1 . . 5.200 3.923 3.546 5.352 0.152 20 0 "[ . 1 . 2]" 1
217 1 33 MET HA 1 34 VAL QG . . 4.390 3.253 3.169 3.332 . 0 0 "[ . 1 . 2]" 1
218 1 33 MET HA 1 34 VAL MG2 . . 5.200 3.549 3.193 3.711 . 0 0 "[ . 1 . 2]" 1
219 1 33 MET HA 1 37 GLN H . . 4.800 4.601 4.198 4.709 . 0 0 "[ . 1 . 2]" 1
220 1 33 MET HA 1 38 VAL HA . . 3.520 2.469 2.041 2.936 . 0 0 "[ . 1 . 2]" 1
221 1 33 MET HA 1 38 VAL MG1 . . 5.160 4.317 3.555 5.147 . 0 0 "[ . 1 . 2]" 1
222 1 33 MET HA 1 38 VAL MG2 . . 5.160 4.115 3.541 4.742 . 0 0 "[ . 1 . 2]" 1
223 1 33 MET HB3 1 34 VAL H . . 3.280 3.035 2.823 3.196 . 0 0 "[ . 1 . 2]" 1
224 1 33 MET HB3 1 37 GLN H . . 4.510 3.884 3.253 4.098 . 0 0 "[ . 1 . 2]" 1
225 1 33 MET ME 1 38 VAL QG . . 3.350 2.762 1.816 3.171 . 0 0 "[ . 1 . 2]" 1
226 1 33 MET QG 1 34 VAL H . . 4.370 3.913 3.455 4.216 . 0 0 "[ . 1 . 2]" 1
227 1 33 MET QG 1 38 VAL H . . 4.300 4.044 3.422 4.300 . 0 0 "[ . 1 . 2]" 1
228 1 33 MET QG 1 38 VAL HA . . 4.280 2.001 1.902 2.108 . 0 0 "[ . 1 . 2]" 1
229 1 33 MET QG 1 38 VAL MG1 . . 3.950 3.006 1.962 3.951 0.001 17 0 "[ . 1 . 2]" 1
230 1 33 MET QG 1 38 VAL QG . . 3.420 2.218 1.801 2.671 . 0 0 "[ . 1 . 2]" 1
231 1 33 MET QG 1 38 VAL MG2 . . 3.950 2.345 1.948 3.005 . 0 0 "[ . 1 . 2]" 1
232 1 34 VAL H 1 34 VAL QG . . 3.800 2.220 2.095 2.579 . 0 0 "[ . 1 . 2]" 1
233 1 34 VAL H 1 37 GLN H . . 3.700 2.957 2.476 3.160 . 0 0 "[ . 1 . 2]" 1
234 1 34 VAL H 1 37 GLN QB . . 4.780 3.446 2.983 3.857 . 0 0 "[ . 1 . 2]" 1
235 1 34 VAL HA 1 34 VAL MG1 . . 3.340 2.261 2.154 2.358 . 0 0 "[ . 1 . 2]" 1
236 1 34 VAL HA 1 34 VAL QG . . 2.920 2.207 2.079 2.299 . 0 0 "[ . 1 . 2]" 1
237 1 34 VAL HA 1 34 VAL MG2 . . 3.340 3.124 2.513 3.202 . 0 0 "[ . 1 . 2]" 1
238 1 34 VAL HB 1 35 LYS H . . 5.040 3.150 3.013 4.092 . 0 0 "[ . 1 . 2]" 1
239 1 34 VAL QG 1 35 LYS H . . 5.050 3.373 2.787 3.496 . 0 0 "[ . 1 . 2]" 1
240 1 35 LYS H 1 35 LYS QG . . 4.760 3.228 2.571 4.069 . 0 0 "[ . 1 . 2]" 1
241 1 35 LYS H 1 36 GLY H . . 5.350 2.798 2.698 2.896 . 0 0 "[ . 1 . 2]" 1
242 1 35 LYS HA 1 35 LYS QG . . 3.470 2.396 2.187 3.077 . 0 0 "[ . 1 . 2]" 1
243 1 35 LYS QB 1 37 GLN H . . 4.760 3.582 3.462 3.847 . 0 0 "[ . 1 . 2]" 1
244 1 35 LYS QE 1 35 LYS QG . . 3.340 2.230 2.078 2.475 . 0 0 "[ . 1 . 2]" 1
245 1 36 GLY H 1 37 GLN H . . 3.680 2.669 2.349 2.706 . 0 0 "[ . 1 . 2]" 1
246 1 36 GLY H 1 37 GLN QB . . 5.250 4.771 4.495 4.957 . 0 0 "[ . 1 . 2]" 1
247 1 36 GLY QA 1 37 GLN HA . . 4.690 4.006 4.003 4.016 . 0 0 "[ . 1 . 2]" 1
248 1 36 GLY HA2 1 37 GLN HA . . 5.500 4.466 4.435 4.515 . 0 0 "[ . 1 . 2]" 1
249 1 36 GLY HA3 1 37 GLN HA . . 5.500 4.529 4.499 4.561 . 0 0 "[ . 1 . 2]" 1
250 1 37 GLN H 1 37 GLN HB2 . . 3.820 2.667 2.467 3.119 . 0 0 "[ . 1 . 2]" 1
251 1 37 GLN H 1 37 GLN QB . . 3.070 2.535 2.426 2.616 . 0 0 "[ . 1 . 2]" 1
252 1 37 GLN H 1 37 GLN HB3 . . 3.820 3.494 2.649 3.788 . 0 0 "[ . 1 . 2]" 1
253 1 37 GLN HA 1 37 GLN QG . . 3.750 2.427 2.140 2.917 . 0 0 "[ . 1 . 2]" 1
254 1 37 GLN HA 1 38 VAL H . . 3.000 2.249 2.148 2.506 . 0 0 "[ . 1 . 2]" 1
255 1 38 VAL H 1 38 VAL HB . . 3.170 2.689 2.542 3.115 . 0 0 "[ . 1 . 2]" 1
256 1 38 VAL H 1 38 VAL MG1 . . 4.140 3.242 1.923 3.837 . 0 0 "[ . 1 . 2]" 1
257 1 38 VAL H 1 38 VAL QG . . 3.070 2.186 1.918 2.632 . 0 0 "[ . 1 . 2]" 1
258 1 38 VAL H 1 38 VAL MG2 . . 4.140 2.753 1.999 3.845 . 0 0 "[ . 1 . 2]" 1
259 1 38 VAL HA 1 38 VAL MG1 . . 3.620 2.600 2.255 3.199 . 0 0 "[ . 1 . 2]" 1
260 1 38 VAL HA 1 38 VAL QG . . 3.020 2.166 2.059 2.334 . 0 0 "[ . 1 . 2]" 1
261 1 38 VAL HA 1 38 VAL MG2 . . 3.620 2.376 2.306 2.420 . 0 0 "[ . 1 . 2]" 1
262 1 38 VAL HA 1 39 GLU H . . 3.080 2.153 2.141 2.248 . 0 0 "[ . 1 . 2]" 1
263 1 38 VAL QG 1 39 GLU H . . 3.450 2.656 2.094 2.857 . 0 0 "[ . 1 . 2]" 1
264 1 38 VAL QG 1 39 GLU HA . . 4.930 3.570 3.358 3.743 . 0 0 "[ . 1 . 2]" 1
265 1 38 VAL QG 1 40 TYR H . . 5.280 4.532 4.282 4.712 . 0 0 "[ . 1 . 2]" 1
266 1 38 VAL QG 1 40 TYR HA . . 5.440 4.644 4.497 4.904 . 0 0 "[ . 1 . 2]" 1
267 1 38 VAL QG 1 40 TYR QD . . 4.250 2.969 2.621 3.312 . 0 0 "[ . 1 . 2]" 1
268 1 38 VAL QG 1 40 TYR QE . . 3.270 2.020 1.894 2.495 . 0 0 "[ . 1 . 2]" 1
269 1 38 VAL QG 1 56 PRO HA . . 5.440 4.586 3.808 5.171 . 0 0 "[ . 1 . 2]" 1
270 1 38 VAL QG 1 57 GLU H . . 4.560 3.587 2.556 4.250 . 0 0 "[ . 1 . 2]" 1
271 1 38 VAL MG1 1 39 GLU H . . 4.410 3.098 2.102 4.102 . 0 0 "[ . 1 . 2]" 1
272 1 38 VAL MG1 1 40 TYR QE . . 4.700 2.213 1.897 2.956 . 0 0 "[ . 1 . 2]" 1
273 1 38 VAL MG2 1 39 GLU H . . 4.410 3.697 2.609 4.155 . 0 0 "[ . 1 . 2]" 1
274 1 38 VAL MG2 1 40 TYR QE . . 4.700 3.554 1.971 4.545 . 0 0 "[ . 1 . 2]" 1
275 1 39 GLU H 1 39 GLU QG . . 3.770 3.161 2.518 3.732 . 0 0 "[ . 1 . 2]" 1
276 1 39 GLU HA 1 40 TYR H . . 3.360 2.264 2.241 2.318 . 0 0 "[ . 1 . 2]" 1
277 1 39 GLU HA 1 56 PRO HA . . 3.860 2.905 2.596 3.060 . 0 0 "[ . 1 . 2]" 1
278 1 39 GLU QB 1 40 TYR H . . 3.900 2.796 2.602 2.970 . 0 0 "[ . 1 . 2]" 1
279 1 39 GLU HB2 1 56 PRO HA . . 5.500 5.357 4.918 5.502 0.002 19 0 "[ . 1 . 2]" 1
280 1 39 GLU HB3 1 56 PRO HA . . 5.500 4.728 4.179 5.488 . 0 0 "[ . 1 . 2]" 1
281 1 39 GLU QG 1 56 PRO HA . . 4.220 2.995 2.302 3.427 . 0 0 "[ . 1 . 2]" 1
282 1 40 TYR H 1 40 TYR HB2 . . 3.830 2.590 2.528 2.675 . 0 0 "[ . 1 . 2]" 1
283 1 40 TYR H 1 40 TYR QD . . 4.270 3.046 2.723 3.398 . 0 0 "[ . 1 . 2]" 1
284 1 40 TYR H 1 42 LEU MD1 . . 5.500 4.877 3.554 5.506 0.006 13 0 "[ . 1 . 2]" 1
285 1 40 TYR H 1 42 LEU MD2 . . 5.500 4.911 3.386 5.508 0.008 20 0 "[ . 1 . 2]" 1
286 1 40 TYR H 1 55 GLU H . . 3.860 2.472 2.290 2.850 . 0 0 "[ . 1 . 2]" 1
287 1 40 TYR HA 1 40 TYR QD . . 4.280 2.987 2.769 3.135 . 0 0 "[ . 1 . 2]" 1
288 1 40 TYR HA 1 41 LEU H . . 3.340 2.227 2.169 2.293 . 0 0 "[ . 1 . 2]" 1
289 1 40 TYR HA 1 42 LEU QD . . 5.440 4.400 3.768 4.982 . 0 0 "[ . 1 . 2]" 1
290 1 40 TYR HB2 1 41 LEU H . . 4.870 4.089 3.925 4.250 . 0 0 "[ . 1 . 2]" 1
291 1 40 TYR HB2 1 42 LEU MD1 . . 5.380 3.626 2.216 4.726 . 0 0 "[ . 1 . 2]" 1
292 1 40 TYR HB2 1 42 LEU QD . . 4.470 2.848 2.210 3.570 . 0 0 "[ . 1 . 2]" 1
293 1 40 TYR HB2 1 42 LEU MD2 . . 5.380 3.338 2.287 4.451 . 0 0 "[ . 1 . 2]" 1
294 1 40 TYR HB2 1 60 LEU MD2 . . 5.350 4.289 3.786 4.839 . 0 0 "[ . 1 . 2]" 1
295 1 40 TYR HB3 1 41 LEU H . . 4.130 2.942 2.713 3.189 . 0 0 "[ . 1 . 2]" 1
296 1 40 TYR QD 1 41 LEU H . . 4.410 3.745 3.545 4.037 . 0 0 "[ . 1 . 2]" 1
297 1 40 TYR QD 1 57 GLU HA . . 4.750 3.442 3.274 3.709 . 0 0 "[ . 1 . 2]" 1
298 1 40 TYR QD 1 66 ILE MD . . 4.680 3.468 2.723 4.064 . 0 0 "[ . 1 . 2]" 1
299 1 40 TYR QD 1 66 ILE MG . . 4.800 4.084 3.842 4.441 . 0 0 "[ . 1 . 2]" 1
300 1 40 TYR QE 1 57 GLU HA . . 4.440 4.390 4.281 4.412 . 0 0 "[ . 1 . 2]" 1
301 1 40 TYR QE 1 57 GLU QB . . 4.730 2.079 1.973 2.231 . 0 0 "[ . 1 . 2]" 1
302 1 40 TYR QE 1 66 ILE MD . . 3.750 2.691 2.237 3.741 . 0 0 "[ . 1 . 2]" 1
303 1 40 TYR QE 1 66 ILE MG . . 3.600 2.275 2.021 2.682 . 0 0 "[ . 1 . 2]" 1
304 1 40 TYR QE 1 69 PHE QD . . 4.140 3.661 3.315 3.897 . 0 0 "[ . 1 . 2]" 1
305 1 41 LEU H 1 41 LEU QB . . 3.450 2.301 2.248 2.379 . 0 0 "[ . 1 . 2]" 1
306 1 41 LEU H 1 41 LEU QD . . 5.160 3.741 3.543 3.800 . 0 0 "[ . 1 . 2]" 1
307 1 41 LEU HA 1 41 LEU QD . . 3.390 2.353 1.988 2.887 . 0 0 "[ . 1 . 2]" 1
308 1 41 LEU HA 1 42 LEU H . . 3.290 2.245 2.142 2.298 . 0 0 "[ . 1 . 2]" 1
309 1 41 LEU HA 1 42 LEU HA . . 5.500 4.467 4.397 4.503 . 0 0 "[ . 1 . 2]" 1
310 1 41 LEU HA 1 42 LEU QD . . 5.440 3.928 3.112 4.533 . 0 0 "[ . 1 . 2]" 1
311 1 41 LEU HA 1 54 TRP HA . . 3.750 2.467 2.260 2.730 . 0 0 "[ . 1 . 2]" 1
312 1 41 LEU HA 1 55 GLU H . . 4.560 3.794 3.670 3.875 . 0 0 "[ . 1 . 2]" 1
313 1 41 LEU HA 1 55 GLU QG . . 5.340 5.299 4.497 5.346 0.006 13 0 "[ . 1 . 2]" 1
314 1 41 LEU QB 1 54 TRP HA . . 5.160 3.818 3.451 4.325 . 0 0 "[ . 1 . 2]" 1
315 1 41 LEU QD 1 42 LEU H . . 3.690 3.469 2.484 3.693 0.003 10 0 "[ . 1 . 2]" 1
316 1 41 LEU QD 1 52 ASN HA . . 4.720 3.488 2.262 3.932 . 0 0 "[ . 1 . 2]" 1
317 1 41 LEU QD 1 52 ASN QB . . 3.310 1.934 1.822 2.369 . 0 0 "[ . 1 . 2]" 1
318 1 41 LEU QD 1 52 ASN QD . . 4.670 2.482 1.881 4.047 . 0 0 "[ . 1 . 2]" 1
319 1 41 LEU QD 1 53 THR H . . 4.100 2.576 2.098 3.229 . 0 0 "[ . 1 . 2]" 1
320 1 41 LEU QD 1 53 THR HA . . 4.180 2.961 2.459 3.785 . 0 0 "[ . 1 . 2]" 1
321 1 41 LEU QD 1 53 THR MG . . 5.130 4.037 3.722 4.446 . 0 0 "[ . 1 . 2]" 1
322 1 41 LEU QD 1 54 TRP H . . 4.640 3.570 3.121 4.501 . 0 0 "[ . 1 . 2]" 1
323 1 41 LEU QD 1 54 TRP HA . . 4.170 3.286 2.602 4.151 . 0 0 "[ . 1 . 2]" 1
324 1 41 LEU QD 1 54 TRP HE1 . . 4.200 3.163 2.587 3.585 . 0 0 "[ . 1 . 2]" 1
325 1 41 LEU QD 1 54 TRP HZ2 . . 3.880 3.192 2.600 3.468 . 0 0 "[ . 1 . 2]" 1
326 1 41 LEU MD1 1 54 TRP HE1 . . 5.500 3.495 2.757 5.393 . 0 0 "[ . 1 . 2]" 1
327 1 41 LEU MD2 1 54 TRP HE1 . . 5.500 4.414 2.594 5.314 . 0 0 "[ . 1 . 2]" 1
328 1 41 LEU HG 1 52 ASN HA . . 5.500 4.986 4.112 5.500 . 0 0 "[ . 1 . 2]" 1
329 1 41 LEU HG 1 52 ASN QB . . 5.340 2.845 2.125 3.619 . 0 0 "[ . 1 . 2]" 1
330 1 42 LEU H 1 42 LEU QB . . 3.550 2.470 2.211 2.680 . 0 0 "[ . 1 . 2]" 1
331 1 42 LEU H 1 42 LEU MD1 . . 4.300 3.190 2.037 3.907 . 0 0 "[ . 1 . 2]" 1
332 1 42 LEU H 1 42 LEU QD . . 3.690 2.616 1.954 3.375 . 0 0 "[ . 1 . 2]" 1
333 1 42 LEU H 1 42 LEU MD2 . . 4.300 3.217 1.968 3.951 . 0 0 "[ . 1 . 2]" 1
334 1 42 LEU H 1 42 LEU HG . . 4.160 2.884 2.014 3.963 . 0 0 "[ . 1 . 2]" 1
335 1 42 LEU H 1 53 THR H . . 4.570 4.325 4.318 4.338 . 0 0 "[ . 1 . 2]" 1
336 1 42 LEU H 1 54 TRP HA . . 4.310 3.721 3.324 3.954 . 0 0 "[ . 1 . 2]" 1
337 1 42 LEU HA 1 42 LEU QD . . 3.580 2.347 1.965 3.197 . 0 0 "[ . 1 . 2]" 1
338 1 42 LEU HA 1 43 LYS H . . 3.270 2.204 2.138 2.320 . 0 0 "[ . 1 . 2]" 1
339 1 42 LEU QB 1 43 LYS H . . 3.900 2.966 2.580 3.370 . 0 0 "[ . 1 . 2]" 1
340 1 42 LEU HB2 1 43 LYS H . . 4.700 3.982 3.651 4.301 . 0 0 "[ . 1 . 2]" 1
341 1 42 LEU HB2 1 44 TRP HE1 . . 5.500 3.237 2.720 3.887 . 0 0 "[ . 1 . 2]" 1
342 1 42 LEU HB3 1 43 LYS H . . 4.700 3.063 2.638 3.537 . 0 0 "[ . 1 . 2]" 1
343 1 42 LEU HB3 1 44 TRP HE1 . . 5.500 4.644 3.790 5.428 . 0 0 "[ . 1 . 2]" 1
344 1 42 LEU QD 1 44 TRP HE1 . . 5.090 3.835 2.547 4.427 . 0 0 "[ . 1 . 2]" 1
345 1 42 LEU QD 1 44 TRP HZ2 . . 4.100 3.339 2.770 4.103 0.003 12 0 "[ . 1 . 2]" 1
346 1 42 LEU QD 1 55 GLU H . . 4.830 3.702 2.909 4.515 . 0 0 "[ . 1 . 2]" 1
347 1 42 LEU QD 1 55 GLU HA . . 5.440 4.963 4.251 5.441 0.001 8 0 "[ . 1 . 2]" 1
348 1 42 LEU QD 1 55 GLU QG . . 4.940 3.367 2.217 3.923 . 0 0 "[ . 1 . 2]" 1
349 1 42 LEU QD 1 56 PRO QD . . 5.440 4.912 4.200 5.246 . 0 0 "[ . 1 . 2]" 1
350 1 42 LEU QD 1 60 LEU HB3 . . 5.440 4.083 3.670 4.809 . 0 0 "[ . 1 . 2]" 1
351 1 42 LEU QD 1 60 LEU MD1 . . 3.430 1.934 1.799 2.254 . 0 0 "[ . 1 . 2]" 1
352 1 42 LEU QD 1 60 LEU MD2 . . 3.810 1.845 1.701 2.209 . 0 0 "[ . 1 . 2]" 1
353 1 42 LEU MD1 1 55 GLU H . . 5.500 4.334 2.924 5.496 . 0 0 "[ . 1 . 2]" 1
354 1 42 LEU MD1 1 60 LEU HB2 . . 5.500 4.213 3.378 5.235 . 0 0 "[ . 1 . 2]" 1
355 1 42 LEU MD2 1 55 GLU H . . 5.500 4.737 2.936 5.499 . 0 0 "[ . 1 . 2]" 1
356 1 42 LEU MD2 1 60 LEU HB2 . . 5.500 4.559 3.492 5.073 . 0 0 "[ . 1 . 2]" 1
357 1 43 LYS H 1 43 LYS QB . . 3.450 2.284 2.240 2.343 . 0 0 "[ . 1 . 2]" 1
358 1 43 LYS HA 1 44 TRP H . . 3.370 2.170 2.141 2.175 . 0 0 "[ . 1 . 2]" 1
359 1 43 LYS QB 1 52 ASN HD21 . . 5.500 4.109 3.138 5.502 0.002 4 0 "[ . 1 . 2]" 1
360 1 43 LYS QB 1 52 ASN QD . . 4.820 3.737 3.054 4.416 . 0 0 "[ . 1 . 2]" 1
361 1 43 LYS QB 1 52 ASN HD22 . . 5.500 4.664 4.025 5.505 0.005 10 0 "[ . 1 . 2]" 1
362 1 43 LYS QE 1 46 GLY H . . 5.220 4.710 3.980 5.220 0.000 5 0 "[ . 1 . 2]" 1
363 1 43 LYS QE 1 47 PHE H . . 4.350 4.069 3.475 4.352 0.002 15 0 "[ . 1 . 2]" 1
364 1 43 LYS QG 1 47 PHE H . . 5.500 5.361 4.501 5.502 0.002 9 0 "[ . 1 . 2]" 1
365 1 44 TRP H 1 44 TRP QB . . 3.500 2.423 2.344 2.511 . 0 0 "[ . 1 . 2]" 1
366 1 44 TRP H 1 44 TRP HD1 . . 4.210 2.640 2.244 3.077 . 0 0 "[ . 1 . 2]" 1
367 1 44 TRP H 1 44 TRP HE1 . . 5.500 4.756 4.427 5.020 . 0 0 "[ . 1 . 2]" 1
368 1 44 TRP H 1 47 PHE QD . . 5.500 5.352 4.559 5.506 0.006 15 0 "[ . 1 . 2]" 1
369 1 44 TRP HA 1 44 TRP HE1 . . 5.500 5.504 5.450 5.541 0.041 15 0 "[ . 1 . 2]" 1
370 1 44 TRP HA 1 45 LYS H . . 3.560 2.151 2.139 2.158 . 0 0 "[ . 1 . 2]" 1
371 1 44 TRP QB 1 47 PHE QD . . 4.030 3.255 2.500 4.040 0.010 10 0 "[ . 1 . 2]" 1
372 1 44 TRP HD1 1 52 ASN HA . . 3.650 3.153 2.606 3.653 0.003 15 0 "[ . 1 . 2]" 1
373 1 44 TRP HE1 1 52 ASN HA . . 5.500 4.965 4.291 5.420 . 0 0 "[ . 1 . 2]" 1
374 1 44 TRP HE1 1 53 THR H . . 4.210 3.909 3.534 3.987 . 0 0 "[ . 1 . 2]" 1
375 1 44 TRP HE1 1 53 THR MG . . 5.500 4.296 2.303 5.502 0.002 2 0 "[ . 1 . 2]" 1
376 1 44 TRP HZ2 1 55 GLU HG2 . . 4.440 4.243 3.160 4.431 . 0 0 "[ . 1 . 2]" 1
377 1 44 TRP HZ2 1 55 GLU HG3 . . 4.440 3.236 2.000 3.848 . 0 0 "[ . 1 . 2]" 1
378 1 45 LYS H 1 45 LYS HB2 . . 3.600 3.300 2.127 3.591 . 0 0 "[ . 1 . 2]" 1
379 1 45 LYS H 1 45 LYS HB3 . . 3.600 2.621 2.336 3.549 . 0 0 "[ . 1 . 2]" 1
380 1 45 LYS H 1 45 LYS QG . . 4.410 2.530 2.259 3.021 . 0 0 "[ . 1 . 2]" 1
381 1 45 LYS HA 1 45 LYS QG . . 3.900 3.140 2.081 3.423 . 0 0 "[ . 1 . 2]" 1
382 1 45 LYS HA 1 46 GLY H . . 3.280 2.301 2.238 2.315 . 0 0 "[ . 1 . 2]" 1
383 1 45 LYS HA 1 47 PHE H . . 4.480 3.257 3.156 3.394 . 0 0 "[ . 1 . 2]" 1
384 1 45 LYS QD 1 46 GLY H . . 4.170 3.460 2.808 4.174 0.004 1 0 "[ . 1 . 2]" 1
385 1 45 LYS QG 1 46 GLY H . . 4.100 3.880 3.194 4.100 . 0 0 "[ . 1 . 2]" 1
386 1 45 LYS QG 1 47 PHE H . . 5.500 5.088 4.814 5.308 . 0 0 "[ . 1 . 2]" 1
387 1 46 GLY H 1 47 PHE H . . 3.720 2.514 2.349 2.696 . 0 0 "[ . 1 . 2]" 1
388 1 47 PHE H 1 47 PHE QD . . 4.160 3.310 2.701 4.076 . 0 0 "[ . 1 . 2]" 1
389 1 47 PHE HA 1 48 SER H . . 3.320 2.507 2.358 2.532 . 0 0 "[ . 1 . 2]" 1
390 1 47 PHE QB 1 48 SER H . . 4.210 2.228 2.135 2.504 . 0 0 "[ . 1 . 2]" 1
391 1 47 PHE QB 1 51 HIS HD2 . . 3.710 2.758 2.476 3.076 . 0 0 "[ . 1 . 2]" 1
392 1 47 PHE HB2 1 51 HIS HD2 . . 4.490 4.109 2.847 4.494 0.004 15 0 "[ . 1 . 2]" 1
393 1 47 PHE HB3 1 51 HIS HD2 . . 4.490 2.941 2.496 4.489 . 0 0 "[ . 1 . 2]" 1
394 1 47 PHE QD 1 51 HIS HB2 . . 5.500 3.781 2.329 5.506 0.006 15 0 "[ . 1 . 2]" 1
395 1 47 PHE QD 1 51 HIS HB3 . . 5.500 3.510 2.785 4.725 . 0 0 "[ . 1 . 2]" 1
396 1 47 PHE QD 1 51 HIS HD2 . . 4.400 3.955 3.069 4.402 0.002 10 0 "[ . 1 . 2]" 1
397 1 48 SER H 1 51 HIS HD2 . . 4.290 2.889 2.084 3.541 . 0 0 "[ . 1 . 2]" 1
398 1 48 SER HA 1 49 GLU H . . 3.160 2.603 2.347 2.712 . 0 0 "[ . 1 . 2]" 1
399 1 48 SER QB 1 50 GLU H . . 3.820 2.467 2.303 3.029 . 0 0 "[ . 1 . 2]" 1
400 1 48 SER QB 1 50 GLU QB . . 5.170 3.473 3.042 3.968 . 0 0 "[ . 1 . 2]" 1
401 1 48 SER QB 1 50 GLU HG2 . . 4.400 2.318 1.995 3.767 . 0 0 "[ . 1 . 2]" 1
402 1 48 SER QB 1 50 GLU QG . . 3.820 2.232 1.983 2.684 . 0 0 "[ . 1 . 2]" 1
403 1 48 SER QB 1 50 GLU HG3 . . 4.400 3.690 2.408 4.035 . 0 0 "[ . 1 . 2]" 1
404 1 48 SER QB 1 51 HIS H . . 4.890 3.544 3.259 3.893 . 0 0 "[ . 1 . 2]" 1
405 1 48 SER QB 1 51 HIS HD2 . . 4.110 3.363 2.150 4.115 0.005 15 0 "[ . 1 . 2]" 1
406 1 49 GLU H 1 49 GLU QG . . 3.820 2.382 1.938 3.770 . 0 0 "[ . 1 . 2]" 1
407 1 49 GLU HA 1 49 GLU QG . . 3.790 3.062 2.235 3.449 . 0 0 "[ . 1 . 2]" 1
408 1 49 GLU HA 1 52 ASN QD . . 4.570 2.424 1.932 3.808 . 0 0 "[ . 1 . 2]" 1
409 1 49 GLU QB 1 52 ASN QD . . 4.140 2.990 2.084 3.841 . 0 0 "[ . 1 . 2]" 1
410 1 49 GLU HB2 1 52 ASN HD21 . . 5.500 3.695 2.408 5.445 . 0 0 "[ . 1 . 2]" 1
411 1 49 GLU HB2 1 52 ASN HD22 . . 5.500 3.973 2.437 5.298 . 0 0 "[ . 1 . 2]" 1
412 1 49 GLU HB3 1 52 ASN HD21 . . 5.500 3.885 2.829 5.350 . 0 0 "[ . 1 . 2]" 1
413 1 49 GLU HB3 1 52 ASN HD22 . . 5.500 4.380 3.023 5.500 0.000 4 0 "[ . 1 . 2]" 1
414 1 49 GLU QG 1 50 GLU H . . 4.620 3.033 2.261 4.608 . 0 0 "[ . 1 . 2]" 1
415 1 50 GLU H 1 50 GLU QB . . 3.250 2.469 2.357 2.633 . 0 0 "[ . 1 . 2]" 1
416 1 50 GLU H 1 50 GLU QG . . 3.550 2.207 1.936 2.351 . 0 0 "[ . 1 . 2]" 1
417 1 50 GLU H 1 51 HIS H . . 3.820 2.585 2.241 2.685 . 0 0 "[ . 1 . 2]" 1
418 1 50 GLU H 1 52 ASN H . . 4.820 4.284 3.874 4.485 . 0 0 "[ . 1 . 2]" 1
419 1 50 GLU HA 1 50 GLU HG2 . . 4.120 3.591 2.582 3.770 . 0 0 "[ . 1 . 2]" 1
420 1 50 GLU HA 1 50 GLU QG . . 3.600 3.279 2.530 3.340 . 0 0 "[ . 1 . 2]" 1
421 1 50 GLU HA 1 50 GLU HG3 . . 4.120 3.815 3.626 3.937 . 0 0 "[ . 1 . 2]" 1
422 1 50 GLU QB 1 51 HIS H . . 4.230 3.557 2.968 3.865 . 0 0 "[ . 1 . 2]" 1
423 1 50 GLU QG 1 51 HIS H . . 4.440 2.688 2.019 4.041 . 0 0 "[ . 1 . 2]" 1
424 1 50 GLU QG 1 51 HIS HD2 . . 3.990 2.619 1.948 3.993 0.003 6 0 "[ . 1 . 2]" 1
425 1 51 HIS H 1 52 ASN H . . 3.480 2.660 2.461 2.688 . 0 0 "[ . 1 . 2]" 1
426 1 51 HIS HA 1 51 HIS HD2 . . 4.140 3.950 3.639 4.146 0.006 15 0 "[ . 1 . 2]" 1
427 1 51 HIS HA 1 52 ASN HA . . 4.920 4.624 4.524 4.696 . 0 0 "[ . 1 . 2]" 1
428 1 52 ASN H 1 52 ASN HD21 . . 5.500 4.658 4.156 5.154 . 0 0 "[ . 1 . 2]" 1
429 1 52 ASN H 1 52 ASN HD22 . . 5.500 4.282 2.655 4.898 . 0 0 "[ . 1 . 2]" 1
430 1 52 ASN HA 1 53 THR H . . 3.350 2.309 2.139 2.496 . 0 0 "[ . 1 . 2]" 1
431 1 52 ASN HA 1 53 THR MG . . 5.350 3.933 3.318 5.353 0.003 9 0 "[ . 1 . 2]" 1
432 1 52 ASN QB 1 53 THR H . . 4.000 2.725 2.222 3.452 . 0 0 "[ . 1 . 2]" 1
433 1 52 ASN QB 1 53 THR MG . . 5.340 4.465 3.996 5.187 . 0 0 "[ . 1 . 2]" 1
434 1 53 THR H 1 53 THR MG . . 4.020 3.009 1.959 4.029 0.009 9 0 "[ . 1 . 2]" 1
435 1 53 THR HA 1 53 THR MG . . 3.150 2.545 1.978 3.188 0.038 13 0 "[ . 1 . 2]" 1
436 1 53 THR HA 1 54 TRP H . . 3.140 2.350 2.227 2.596 . 0 0 "[ . 1 . 2]" 1
437 1 53 THR MG 1 54 TRP H . . 3.920 3.412 1.963 3.922 0.002 1 0 "[ . 1 . 2]" 1
438 1 54 TRP H 1 54 TRP QB . . 3.400 2.557 2.509 2.604 . 0 0 "[ . 1 . 2]" 1
439 1 54 TRP H 1 54 TRP HD1 . . 4.170 2.176 2.030 2.387 . 0 0 "[ . 1 . 2]" 1
440 1 54 TRP H 1 54 TRP HE1 . . 5.240 4.407 4.287 4.707 . 0 0 "[ . 1 . 2]" 1
441 1 54 TRP HA 1 55 GLU H . . 3.260 2.198 2.141 2.306 . 0 0 "[ . 1 . 2]" 1
442 1 54 TRP QB 1 54 TRP HD1 . . 3.580 2.700 2.612 2.733 . 0 0 "[ . 1 . 2]" 1
443 1 54 TRP QB 1 55 GLU H . . 4.320 3.003 2.640 3.337 . 0 0 "[ . 1 . 2]" 1
444 1 55 GLU H 1 55 GLU HB2 . . 4.180 2.582 2.368 2.742 . 0 0 "[ . 1 . 2]" 1
445 1 55 GLU H 1 55 GLU QB . . 3.590 2.534 2.338 2.680 . 0 0 "[ . 1 . 2]" 1
446 1 55 GLU H 1 55 GLU HB3 . . 4.180 3.698 3.606 3.774 . 0 0 "[ . 1 . 2]" 1
447 1 55 GLU H 1 55 GLU QG . . 4.560 3.350 2.508 3.602 . 0 0 "[ . 1 . 2]" 1
448 1 55 GLU H 1 60 LEU MD1 . . 5.490 5.403 5.029 5.494 0.004 16 0 "[ . 1 . 2]" 1
449 1 55 GLU HA 1 56 PRO QD . . 3.350 2.133 2.087 2.149 . 0 0 "[ . 1 . 2]" 1
450 1 55 GLU HA 1 56 PRO QG . . 4.500 4.048 3.999 4.066 . 0 0 "[ . 1 . 2]" 1
451 1 55 GLU HA 1 59 ASN QD . . 5.340 5.344 5.341 5.349 0.009 14 0 "[ . 1 . 2]" 1
452 1 55 GLU QB 1 56 PRO HA . . 5.150 4.491 4.476 4.549 . 0 0 "[ . 1 . 2]" 1
453 1 55 GLU QB 1 56 PRO QD . . 4.770 1.967 1.941 1.972 . 0 0 "[ . 1 . 2]" 1
454 1 55 GLU QB 1 59 ASN QB . . 4.960 3.980 3.844 4.247 . 0 0 "[ . 1 . 2]" 1
455 1 55 GLU QB 1 59 ASN QD . . 4.570 3.638 3.423 4.314 . 0 0 "[ . 1 . 2]" 1
456 1 55 GLU QB 1 60 LEU MD2 . . 3.820 2.286 2.075 2.575 . 0 0 "[ . 1 . 2]" 1
457 1 55 GLU QG 1 56 PRO QD . . 4.910 3.127 2.610 3.783 . 0 0 "[ . 1 . 2]" 1
458 1 56 PRO HA 1 58 LYS H . . 4.690 3.717 3.650 3.825 . 0 0 "[ . 1 . 2]" 1
459 1 56 PRO HA 1 58 LYS QD . . 5.500 5.090 3.410 5.502 0.002 1 0 "[ . 1 . 2]" 1
460 1 56 PRO QD 1 59 ASN HD21 . . 5.500 4.645 4.117 4.746 . 0 0 "[ . 1 . 2]" 1
461 1 56 PRO QD 1 59 ASN HD22 . . 5.500 3.158 3.097 3.192 . 0 0 "[ . 1 . 2]" 1
462 1 56 PRO QD 1 60 LEU MD2 . . 3.930 3.745 3.542 3.915 . 0 0 "[ . 1 . 2]" 1
463 1 56 PRO QG 1 59 ASN QD . . 4.290 2.659 1.885 2.864 . 0 0 "[ . 1 . 2]" 1
464 1 57 GLU H 1 57 GLU QB . . 3.280 2.303 2.208 2.665 . 0 0 "[ . 1 . 2]" 1
465 1 57 GLU H 1 57 GLU QG . . 4.010 3.703 2.096 4.012 0.002 16 0 "[ . 1 . 2]" 1
466 1 57 GLU H 1 58 LYS QB . . 4.840 4.626 4.442 4.728 . 0 0 "[ . 1 . 2]" 1
467 1 57 GLU HA 1 58 LYS H . . 3.550 3.446 3.412 3.492 . 0 0 "[ . 1 . 2]" 1
468 1 57 GLU HA 1 59 ASN H . . 4.550 3.717 3.576 3.842 . 0 0 "[ . 1 . 2]" 1
469 1 57 GLU HA 1 60 LEU HB3 . . 5.500 5.448 5.229 5.511 0.011 15 0 "[ . 1 . 2]" 1
470 1 57 GLU HA 1 60 LEU HG . . 5.140 2.906 2.592 3.044 . 0 0 "[ . 1 . 2]" 1
471 1 57 GLU QB 1 58 LYS H . . 3.590 3.048 2.797 3.596 0.006 11 0 "[ . 1 . 2]" 1
472 1 58 LYS H 1 58 LYS QB . . 3.130 2.532 2.430 2.650 . 0 0 "[ . 1 . 2]" 1
473 1 58 LYS H 1 58 LYS QD . . 3.980 3.478 2.073 4.028 0.048 1 0 "[ . 1 . 2]" 1
474 1 58 LYS H 1 58 LYS QG . . 3.490 2.102 1.913 2.364 . 0 0 "[ . 1 . 2]" 1
475 1 58 LYS H 1 59 ASN H . . 3.570 2.518 2.443 2.637 . 0 0 "[ . 1 . 2]" 1
476 1 58 LYS HA 1 58 LYS QD . . 4.420 4.117 3.730 4.428 0.008 1 0 "[ . 1 . 2]" 1
477 1 58 LYS HA 1 58 LYS QG . . 3.830 2.993 2.478 3.424 . 0 0 "[ . 1 . 2]" 1
478 1 58 LYS QB 1 59 ASN H . . 3.830 3.370 2.944 3.719 . 0 0 "[ . 1 . 2]" 1
479 1 58 LYS QG 1 59 ASN H . . 4.210 3.243 2.334 4.217 0.007 7 0 "[ . 1 . 2]" 1
480 1 59 ASN H 1 59 ASN HB2 . . 3.910 2.797 2.226 3.023 . 0 0 "[ . 1 . 2]" 1
481 1 59 ASN H 1 59 ASN QB . . 3.300 2.266 2.203 2.300 . 0 0 "[ . 1 . 2]" 1
482 1 59 ASN H 1 59 ASN HB3 . . 3.910 2.502 2.290 3.549 . 0 0 "[ . 1 . 2]" 1
483 1 59 ASN H 1 60 LEU MD1 . . 4.830 4.824 4.712 4.839 0.009 14 0 "[ . 1 . 2]" 1
484 1 59 ASN HA 1 59 ASN HD22 . . 5.100 4.506 4.369 4.555 . 0 0 "[ . 1 . 2]" 1
485 1 60 LEU H 1 60 LEU MD1 . . 3.890 3.312 3.189 3.356 . 0 0 "[ . 1 . 2]" 1
486 1 60 LEU H 1 60 LEU HG . . 3.230 2.016 1.946 2.082 . 0 0 "[ . 1 . 2]" 1
487 1 60 LEU HA 1 60 LEU MD1 . . 3.860 3.704 3.693 3.748 . 0 0 "[ . 1 . 2]" 1
488 1 60 LEU HA 1 60 LEU MD2 . . 4.370 3.996 3.977 4.019 . 0 0 "[ . 1 . 2]" 1
489 1 60 LEU HA 1 61 ASP H . . 3.190 2.151 2.146 2.167 . 0 0 "[ . 1 . 2]" 1
490 1 60 LEU HB2 1 61 ASP H . . 3.870 3.275 3.170 3.318 . 0 0 "[ . 1 . 2]" 1
491 1 60 LEU HB2 1 62 CYS H . . 5.010 4.966 4.900 5.010 0.000 8 0 "[ . 1 . 2]" 1
492 1 60 LEU HB3 1 61 ASP H . . 4.260 4.108 4.055 4.137 . 0 0 "[ . 1 . 2]" 1
493 1 60 LEU MD1 1 61 ASP H . . 3.920 3.926 3.921 3.931 0.011 6 0 "[ . 1 . 2]" 1
494 1 60 LEU MD1 1 62 CYS H . . 4.680 3.489 3.440 3.547 . 0 0 "[ . 1 . 2]" 1
495 1 60 LEU MD1 1 62 CYS HA . . 5.500 4.922 4.728 5.087 . 0 0 "[ . 1 . 2]" 1
496 1 61 ASP H 1 61 ASP HB2 . . 4.110 2.735 2.289 3.692 . 0 0 "[ . 1 . 2]" 1
497 1 61 ASP H 1 61 ASP QB . . 3.550 2.504 2.262 2.902 . 0 0 "[ . 1 . 2]" 1
498 1 61 ASP H 1 61 ASP HB3 . . 4.110 3.410 2.448 3.702 . 0 0 "[ . 1 . 2]" 1
499 1 61 ASP H 1 62 CYS H . . 4.320 4.282 4.236 4.315 . 0 0 "[ . 1 . 2]" 1
500 1 61 ASP HA 1 62 CYS H . . 3.360 2.147 2.143 2.149 . 0 0 "[ . 1 . 2]" 1
501 1 61 ASP HA 1 63 PRO QD . . 4.400 3.652 3.577 3.712 . 0 0 "[ . 1 . 2]" 1
502 1 62 CYS H 1 63 PRO HB3 . . 5.410 4.984 4.760 5.142 . 0 0 "[ . 1 . 2]" 1
503 1 62 CYS H 1 63 PRO QD . . 3.650 2.885 2.656 3.024 . 0 0 "[ . 1 . 2]" 1
504 1 62 CYS HA 1 63 PRO QD . . 3.600 2.026 2.009 2.048 . 0 0 "[ . 1 . 2]" 1
505 1 62 CYS QB 1 63 PRO QD . . 5.180 3.756 3.666 3.834 . 0 0 "[ . 1 . 2]" 1
506 1 62 CYS QB 1 65 LEU H . . 4.510 3.181 2.865 3.781 . 0 0 "[ . 1 . 2]" 1
507 1 62 CYS HB2 1 65 LEU MD1 . . 4.550 2.986 2.059 3.951 . 0 0 "[ . 1 . 2]" 1
508 1 62 CYS HB3 1 65 LEU MD1 . . 4.550 2.810 2.060 3.573 . 0 0 "[ . 1 . 2]" 1
509 1 63 PRO HA 1 66 ILE H . . 4.080 3.361 3.076 3.509 . 0 0 "[ . 1 . 2]" 1
510 1 63 PRO HA 1 66 ILE HB . . 3.830 2.813 2.607 2.935 . 0 0 "[ . 1 . 2]" 1
511 1 63 PRO HA 1 66 ILE MD . . 4.470 2.917 1.975 4.202 . 0 0 "[ . 1 . 2]" 1
512 1 63 PRO HA 1 66 ILE QG . . 4.470 3.215 2.144 4.186 . 0 0 "[ . 1 . 2]" 1
513 1 63 PRO HA 1 66 ILE MG . . 4.500 4.223 3.950 4.383 . 0 0 "[ . 1 . 2]" 1
514 1 63 PRO QG 1 64 GLU H . . 3.390 2.808 2.579 2.991 . 0 0 "[ . 1 . 2]" 1
515 1 63 PRO QG 1 64 GLU HA . . 5.500 4.159 4.109 4.218 . 0 0 "[ . 1 . 2]" 1
516 1 64 GLU H 1 64 GLU QB . . 3.140 2.289 2.168 2.553 . 0 0 "[ . 1 . 2]" 1
517 1 64 GLU H 1 64 GLU QG . . 4.310 3.378 2.197 4.038 . 0 0 "[ . 1 . 2]" 1
518 1 64 GLU H 1 65 LEU H . . 3.810 2.568 2.431 2.744 . 0 0 "[ . 1 . 2]" 1
519 1 64 GLU H 1 65 LEU HB2 . . 5.030 4.785 4.622 4.898 . 0 0 "[ . 1 . 2]" 1
520 1 64 GLU HA 1 64 GLU QG . . 3.330 2.480 2.254 2.888 . 0 0 "[ . 1 . 2]" 1
521 1 64 GLU QB 1 65 LEU H . . 3.740 2.631 2.214 2.814 . 0 0 "[ . 1 . 2]" 1
522 1 64 GLU QG 1 65 LEU H . . 4.480 3.957 3.590 4.428 . 0 0 "[ . 1 . 2]" 1
523 1 65 LEU H 1 65 LEU HB3 . . 3.990 3.599 3.584 3.621 . 0 0 "[ . 1 . 2]" 1
524 1 65 LEU H 1 65 LEU MD1 . . 4.160 3.625 3.414 3.785 . 0 0 "[ . 1 . 2]" 1
525 1 65 LEU H 1 65 LEU HG . . 3.250 2.350 2.174 2.571 . 0 0 "[ . 1 . 2]" 1
526 1 65 LEU H 1 66 ILE H . . 3.570 2.507 2.355 2.679 . 0 0 "[ . 1 . 2]" 1
527 1 65 LEU H 1 67 SER H . . 4.750 3.980 3.731 4.317 . 0 0 "[ . 1 . 2]" 1
528 1 65 LEU HA 1 65 LEU MD2 . . 3.080 2.181 1.966 2.387 . 0 0 "[ . 1 . 2]" 1
529 1 65 LEU HA 1 66 ILE HA . . 5.270 4.739 4.729 4.752 . 0 0 "[ . 1 . 2]" 1
530 1 65 LEU HB2 1 66 ILE H . . 3.390 2.627 2.382 2.943 . 0 0 "[ . 1 . 2]" 1
531 1 66 ILE H 1 66 ILE HB . . 3.750 2.654 2.577 2.704 . 0 0 "[ . 1 . 2]" 1
532 1 66 ILE H 1 66 ILE QG . . 3.550 1.995 1.922 2.611 . 0 0 "[ . 1 . 2]" 1
533 1 66 ILE H 1 66 ILE MG . . 3.920 3.771 3.768 3.773 . 0 0 "[ . 1 . 2]" 1
534 1 66 ILE H 1 67 SER H . . 3.540 2.552 2.508 2.629 . 0 0 "[ . 1 . 2]" 1
535 1 66 ILE HA 1 66 ILE MD . . 3.970 3.567 2.037 3.882 . 0 0 "[ . 1 . 2]" 1
536 1 66 ILE HB 1 66 ILE MD . . 3.530 2.522 2.023 3.216 . 0 0 "[ . 1 . 2]" 1
537 1 66 ILE HB 1 67 SER H . . 4.160 2.642 2.309 2.859 . 0 0 "[ . 1 . 2]" 1
538 1 66 ILE HB 1 70 MET H . . 5.500 5.441 5.083 5.508 0.008 10 0 "[ . 1 . 2]" 1
539 1 66 ILE MD 1 66 ILE MG . . 3.180 2.080 1.925 3.052 . 0 0 "[ . 1 . 2]" 1
540 1 66 ILE MG 1 67 SER H . . 4.070 3.673 3.503 3.818 . 0 0 "[ . 1 . 2]" 1
541 1 66 ILE MG 1 67 SER HA . . 4.260 3.777 3.633 3.903 . 0 0 "[ . 1 . 2]" 1
542 1 66 ILE MG 1 68 GLU H . . 5.190 5.154 5.006 5.201 0.011 17 0 "[ . 1 . 2]" 1
543 1 66 ILE MG 1 70 MET H . . 4.780 3.775 3.237 4.104 . 0 0 "[ . 1 . 2]" 1
544 1 66 ILE MG 1 70 MET QG . . 4.140 2.583 1.973 4.142 0.002 11 0 "[ . 1 . 2]" 1
545 1 67 SER H 1 68 GLU H . . 3.660 2.853 2.762 2.945 . 0 0 "[ . 1 . 2]" 1
546 1 67 SER HA 1 70 MET H . . 4.550 4.036 3.871 4.351 . 0 0 "[ . 1 . 2]" 1
547 1 68 GLU H 1 68 GLU HB2 . . 3.720 2.494 2.193 3.607 . 0 0 "[ . 1 . 2]" 1
548 1 68 GLU H 1 68 GLU QB . . 3.040 2.277 2.171 2.613 . 0 0 "[ . 1 . 2]" 1
549 1 68 GLU H 1 68 GLU HB3 . . 3.720 3.096 2.354 3.606 . 0 0 "[ . 1 . 2]" 1
550 1 68 GLU H 1 68 GLU QG . . 3.950 3.150 1.932 3.954 0.004 9 0 "[ . 1 . 2]" 1
551 1 68 GLU HA 1 68 GLU QG . . 3.600 2.603 2.202 3.339 . 0 0 "[ . 1 . 2]" 1
552 1 68 GLU QB 1 69 PHE H . . 3.500 2.536 2.301 3.379 . 0 0 "[ . 1 . 2]" 1
553 1 69 PHE H 1 70 MET H . . 3.610 2.770 2.714 2.922 . 0 0 "[ . 1 . 2]" 1
554 1 69 PHE HA 1 69 PHE QD . . 4.160 2.488 2.266 3.009 . 0 0 "[ . 1 . 2]" 1
555 1 69 PHE QD 1 70 MET H . . 4.360 3.828 2.788 4.111 . 0 0 "[ . 1 . 2]" 1
556 1 69 PHE QD 1 70 MET HA . . 4.430 3.884 2.820 4.300 . 0 0 "[ . 1 . 2]" 1
557 1 69 PHE QD 1 70 MET QG . . 5.140 4.220 3.566 4.859 . 0 0 "[ . 1 . 2]" 1
558 1 70 MET H 1 70 MET QG . . 3.480 2.738 2.580 2.815 . 0 0 "[ . 1 . 2]" 1
559 1 70 MET H 1 71 LYS H . . 3.740 2.779 2.744 2.801 . 0 0 "[ . 1 . 2]" 1
560 1 70 MET HA 1 73 TYR H . . 4.060 3.589 3.492 3.683 . 0 0 "[ . 1 . 2]" 1
561 1 70 MET HA 1 73 TYR HB2 . . 4.020 3.198 3.025 3.465 . 0 0 "[ . 1 . 2]" 1
562 1 70 MET HA 1 73 TYR QB . . 3.450 3.034 2.929 3.175 . 0 0 "[ . 1 . 2]" 1
563 1 70 MET HA 1 73 TYR HB3 . . 4.020 3.795 3.532 4.022 0.002 9 0 "[ . 1 . 2]" 1
564 1 70 MET HA 1 73 TYR QD . . 5.010 4.484 3.862 4.915 . 0 0 "[ . 1 . 2]" 1
565 1 70 MET QG 1 71 LYS H . . 4.490 4.049 2.096 4.430 . 0 0 "[ . 1 . 2]" 1
566 1 71 LYS H 1 71 LYS QB . . 3.180 2.262 2.227 2.287 . 0 0 "[ . 1 . 2]" 1
567 1 71 LYS H 1 71 LYS QD . . 4.470 4.424 4.310 4.474 0.004 10 0 "[ . 1 . 2]" 1
568 1 71 LYS H 1 72 LYS H . . 3.520 2.422 2.370 2.503 . 0 0 "[ . 1 . 2]" 1
569 1 71 LYS HA 1 71 LYS QD . . 4.500 3.833 3.336 4.174 . 0 0 "[ . 1 . 2]" 1
570 1 71 LYS HA 1 71 LYS QE . . 5.400 4.473 2.300 5.059 . 0 0 "[ . 1 . 2]" 1
571 1 71 LYS HA 1 71 LYS QG . . 3.870 2.475 2.406 2.520 . 0 0 "[ . 1 . 2]" 1
572 1 71 LYS HA 1 74 LYS H . . 3.790 3.602 3.594 3.626 . 0 0 "[ . 1 . 2]" 1
573 1 71 LYS HA 1 74 LYS QD . . 4.510 3.349 2.231 4.361 . 0 0 "[ . 1 . 2]" 1
574 1 71 LYS HA 1 74 LYS QE . . 5.500 4.215 2.304 5.501 0.001 14 0 "[ . 1 . 2]" 1
575 1 71 LYS QB 1 71 LYS QD . . 3.180 2.035 1.950 2.118 . 0 0 "[ . 1 . 2]" 1
576 1 71 LYS QE 1 71 LYS QG . . 3.390 2.167 2.064 2.360 . 0 0 "[ . 1 . 2]" 1
577 1 71 LYS QG 1 74 LYS H . . 4.910 4.680 4.675 4.694 . 0 0 "[ . 1 . 2]" 1
578 1 71 LYS QG 1 75 LYS H . . 4.250 4.200 4.062 4.251 0.001 3 0 "[ . 1 . 2]" 1
579 1 72 LYS H 1 72 LYS QB . . 3.110 2.252 2.160 2.469 . 0 0 "[ . 1 . 2]" 1
580 1 72 LYS H 1 72 LYS QG . . 4.050 3.367 2.193 4.051 0.001 4 0 "[ . 1 . 2]" 1
581 1 72 LYS H 1 73 TYR H . . 3.280 2.475 2.409 2.541 . 0 0 "[ . 1 . 2]" 1
582 1 72 LYS HA 1 72 LYS QD . . 4.830 3.243 2.254 4.108 . 0 0 "[ . 1 . 2]" 1
583 1 72 LYS HA 1 72 LYS QG . . 4.020 2.432 2.159 2.993 . 0 0 "[ . 1 . 2]" 1
584 1 72 LYS QB 1 72 LYS QD . . 3.190 2.186 2.021 2.510 . 0 0 "[ . 1 . 2]" 1
585 1 72 LYS QB 1 72 LYS QE . . 4.130 2.987 1.969 3.783 . 0 0 "[ . 1 . 2]" 1
586 1 72 LYS QB 1 73 TYR H . . 3.580 2.711 2.618 2.878 . 0 0 "[ . 1 . 2]" 1
587 1 72 LYS QG 1 73 TYR H . . 4.620 4.144 3.581 4.567 . 0 0 "[ . 1 . 2]" 1
588 1 73 TYR H 1 73 TYR HB2 . . 3.470 2.194 2.107 2.283 . 0 0 "[ . 1 . 2]" 1
589 1 73 TYR H 1 73 TYR HB3 . . 3.470 2.936 2.806 3.090 . 0 0 "[ . 1 . 2]" 1
590 1 73 TYR HA 1 73 TYR QD . . 3.550 2.903 2.203 3.091 . 0 0 "[ . 1 . 2]" 1
591 1 73 TYR QB 1 74 LYS H . . 3.610 2.768 2.662 2.843 . 0 0 "[ . 1 . 2]" 1
592 1 73 TYR HB2 1 74 LYS H . . 4.250 3.660 3.534 3.818 . 0 0 "[ . 1 . 2]" 1
593 1 73 TYR HB3 1 74 LYS H . . 4.250 2.866 2.738 2.996 . 0 0 "[ . 1 . 2]" 1
594 1 73 TYR QD 1 74 LYS H . . 4.610 4.249 4.071 4.467 . 0 0 "[ . 1 . 2]" 1
595 1 74 LYS H 1 74 LYS QB . . 3.220 2.377 2.133 2.676 . 0 0 "[ . 1 . 2]" 1
596 1 74 LYS H 1 75 LYS H . . 3.930 2.568 2.384 2.872 . 0 0 "[ . 1 . 2]" 1
597 1 74 LYS HA 1 74 LYS QD . . 4.470 4.177 3.859 4.468 . 0 0 "[ . 1 . 2]" 1
598 1 74 LYS QB 1 74 LYS QD . . 3.390 2.195 2.062 2.285 . 0 0 "[ . 1 . 2]" 1
599 1 74 LYS QB 1 75 LYS H . . 3.500 2.687 2.054 3.505 0.005 13 0 "[ . 1 . 2]" 1
600 1 75 LYS H 1 75 LYS QB . . 3.690 2.224 2.127 2.344 . 0 0 "[ . 1 . 2]" 1
601 1 75 LYS H 1 76 MET H . . 4.220 2.598 2.396 2.754 . 0 0 "[ . 1 . 2]" 1
602 1 75 LYS HA 1 76 MET H . . 3.560 3.509 3.454 3.549 . 0 0 "[ . 1 . 2]" 1
603 1 75 LYS QB 1 76 MET H . . 3.800 2.718 2.506 2.938 . 0 0 "[ . 1 . 2]" 1
604 1 76 MET H 1 76 MET QB . . 3.650 2.273 2.186 2.407 . 0 0 "[ . 1 . 2]" 1
605 1 76 MET QB 1 77 LYS H . . 3.800 2.392 2.189 2.698 . 0 0 "[ . 1 . 2]" 1
606 1 77 LYS H 1 77 LYS QB . . 3.520 2.425 2.148 2.677 . 0 0 "[ . 1 . 2]" 1
607 1 77 LYS HA 1 77 LYS QD . . 3.650 2.766 2.052 3.651 0.001 2 0 "[ . 1 . 2]" 1
608 1 77 LYS HA 1 77 LYS QG . . 3.790 2.558 2.168 3.431 . 0 0 "[ . 1 . 2]" 1
609 1 77 LYS HA 1 78 GLU H . . 3.510 2.446 2.142 3.567 0.057 16 0 "[ . 1 . 2]" 1
610 1 78 GLU HA 1 78 GLU QG . . 3.880 2.620 2.105 3.460 . 0 0 "[ . 1 . 2]" 1
611 1 78 GLU QB 1 79 GLY H . . 4.520 3.257 1.942 3.926 . 0 0 "[ . 1 . 2]" 1
612 1 80 GLU HA 1 80 GLU QG . . 3.340 2.852 2.244 3.414 0.074 1 0 "[ . 1 . 2]" 1
613 1 81 ASN QB 1 82 ASN H . . 5.500 3.300 2.188 3.965 . 0 0 "[ . 1 . 2]" 1
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