NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
474477 |
2ksw   |
16676 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ksw
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 529
_Distance_constraint_stats_list.Viol_count 1036
_Distance_constraint_stats_list.Viol_total 1182.634
_Distance_constraint_stats_list.Viol_max 0.386
_Distance_constraint_stats_list.Viol_rms 0.0248
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0571
_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 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 3.993 0.322 19 0 "[ . 1 . 2]"
1 4 GLY 1.415 0.322 19 0 "[ . 1 . 2]"
1 5 SER 0.184 0.140 12 0 "[ . 1 . 2]"
1 6 ASP 1.870 0.208 16 0 "[ . 1 . 2]"
1 7 CYS 11.150 0.369 17 0 "[ . 1 . 2]"
1 8 GLU 3.317 0.242 16 0 "[ . 1 . 2]"
1 9 PRO 3.269 0.242 16 0 "[ . 1 . 2]"
1 10 LYS 0.005 0.005 14 0 "[ . 1 . 2]"
1 11 LEU 0.656 0.128 3 0 "[ . 1 . 2]"
1 12 CYS 3.824 0.142 7 0 "[ . 1 . 2]"
1 13 THR 0.788 0.082 15 0 "[ . 1 . 2]"
1 14 MET 0.833 0.233 16 0 "[ . 1 . 2]"
1 15 ASP 1.096 0.233 16 0 "[ . 1 . 2]"
1 16 LEU 0.350 0.105 5 0 "[ . 1 . 2]"
1 17 VAL 0.948 0.118 12 0 "[ . 1 . 2]"
1 18 PRO 5.210 0.259 12 0 "[ . 1 . 2]"
1 19 HIS 3.746 0.314 18 0 "[ . 1 . 2]"
1 20 CYS 1.541 0.202 11 0 "[ . 1 . 2]"
1 21 PHE 1.322 0.096 9 0 "[ . 1 . 2]"
1 22 LEU 2.966 0.149 18 0 "[ . 1 . 2]"
1 23 ASN 0.992 0.090 3 0 "[ . 1 . 2]"
1 24 PRO 0.110 0.044 10 0 "[ . 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 1.344 0.090 3 0 "[ . 1 . 2]"
1 27 GLY 0.054 0.032 1 0 "[ . 1 . 2]"
1 28 ILE 1.314 0.129 12 0 "[ . 1 . 2]"
1 29 VAL 0.396 0.073 13 0 "[ . 1 . 2]"
1 30 VAL 0.086 0.073 13 0 "[ . 1 . 2]"
1 31 VAL 3.534 0.314 18 0 "[ . 1 . 2]"
1 32 HIS 2.109 0.259 12 0 "[ . 1 . 2]"
1 33 GLY 1.931 0.134 15 0 "[ . 1 . 2]"
1 34 GLY 1.477 0.118 12 0 "[ . 1 . 2]"
1 35 CYS 2.219 0.142 7 0 "[ . 1 . 2]"
1 36 ALA 1.183 0.091 19 0 "[ . 1 . 2]"
1 37 LEU 2.278 0.091 19 0 "[ . 1 . 2]"
1 38 SER 1.843 0.102 5 0 "[ . 1 . 2]"
1 39 LYS 0.380 0.084 18 0 "[ . 1 . 2]"
1 40 TYR 0.445 0.109 10 0 "[ . 1 . 2]"
1 41 LYS 0.395 0.109 10 0 "[ . 1 . 2]"
1 42 CYS 7.586 0.242 7 0 "[ . 1 . 2]"
1 43 GLN 9.902 0.386 17 0 "[ . 1 . 2]"
1 44 ASN 2.465 0.386 17 0 "[ . 1 . 2]"
1 45 PRO 1.993 0.190 1 0 "[ . 1 . 2]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 HIS 0.284 0.051 20 0 "[ . 1 . 2]"
1 48 GLU 1.635 0.191 20 0 "[ . 1 . 2]"
1 49 LYS 1.675 0.191 20 0 "[ . 1 . 2]"
1 50 LEU 0.769 0.156 20 0 "[ . 1 . 2]"
1 51 GLY 1.080 0.202 17 0 "[ . 1 . 2]"
1 52 TYR 1.066 0.202 17 0 "[ . 1 . 2]"
1 53 THR 1.173 0.175 14 0 "[ . 1 . 2]"
1 54 HIS 0.967 0.306 14 0 "[ . 1 . 2]"
1 55 GLU 5.929 0.333 14 0 "[ . 1 . 2]"
1 56 CYS 5.708 0.333 14 0 "[ . 1 . 2]"
1 57 GLU 0.425 0.052 9 0 "[ . 1 . 2]"
1 58 GLU 0.128 0.028 20 0 "[ . 1 . 2]"
1 59 ALA 0.057 0.016 5 0 "[ . 1 . 2]"
1 60 ILE 0.443 0.061 11 0 "[ . 1 . 2]"
1 61 LYS 0.149 0.028 12 0 "[ . 1 . 2]"
1 62 ASN 0.763 0.129 12 0 "[ . 1 . 2]"
1 63 ALA 1.165 0.112 6 0 "[ . 1 . 2]"
1 65 ARG 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 2 PRO HA 1 3 VAL H . . 3.050 2.213 2.151 2.369 . 0 0 "[ . 1 . 2]" 1
2 1 3 VAL H 1 3 VAL HB . . 3.570 3.535 2.913 3.799 0.229 1 0 "[ . 1 . 2]" 1
3 1 3 VAL H 1 25 GLU QG . . 6.170 4.731 2.268 6.122 . 0 0 "[ . 1 . 2]" 1
4 1 3 VAL H 1 26 LYS QB . . 6.060 6.062 5.817 6.124 0.064 8 0 "[ . 1 . 2]" 1
5 1 3 VAL HA 1 4 GLY H . . 3.050 2.596 2.149 3.201 0.151 6 0 "[ . 1 . 2]" 1
6 1 3 VAL HA 1 7 CYS HB2 . . 5.340 5.375 5.349 5.425 0.085 4 0 "[ . 1 . 2]" 1
7 1 3 VAL HA 1 7 CYS QB . . 4.630 4.002 3.608 4.434 . 0 0 "[ . 1 . 2]" 1
8 1 3 VAL HA 1 7 CYS HB3 . . 5.340 4.139 3.667 4.724 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL HB 1 4 GLY H . . 4.190 4.073 2.057 4.512 0.322 19 0 "[ . 1 . 2]" 1
10 1 3 VAL QG 1 4 GLY H . . 7.700 3.041 1.907 3.760 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL QG 1 4 GLY QA . . 9.980 3.574 2.848 4.158 . 0 0 "[ . 1 . 2]" 1
12 1 3 VAL QG 1 5 SER H . . 9.100 4.106 1.861 5.567 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLY H 1 5 SER H . . 4.820 2.852 1.891 4.410 . 0 0 "[ . 1 . 2]" 1
14 1 4 GLY H 1 5 SER HA . . 5.390 4.995 4.358 5.530 0.140 12 0 "[ . 1 . 2]" 1
15 1 6 ASP HA 1 7 CYS H . . 3.360 3.363 2.698 3.568 0.208 16 0 "[ . 1 . 2]" 1
16 1 6 ASP QB 1 7 CYS H . . 4.160 3.023 1.915 3.906 . 0 0 "[ . 1 . 2]" 1
17 1 7 CYS CB 1 42 CYS SG . . 3.100 3.076 2.969 3.277 0.177 8 0 "[ . 1 . 2]" 1
18 1 7 CYS H 1 7 CYS HB2 . . 4.090 3.246 2.674 3.546 . 0 0 "[ . 1 . 2]" 1
19 1 7 CYS H 1 7 CYS QB . . 3.420 2.670 2.220 2.849 . 0 0 "[ . 1 . 2]" 1
20 1 7 CYS H 1 7 CYS HB3 . . 4.090 2.852 2.287 3.120 . 0 0 "[ . 1 . 2]" 1
21 1 7 CYS H 1 8 GLU QB . . 6.840 5.160 4.717 5.749 . 0 0 "[ . 1 . 2]" 1
22 1 7 CYS H 1 8 GLU QG . . 6.950 6.342 5.062 6.953 0.003 2 0 "[ . 1 . 2]" 1
23 1 7 CYS HA 1 43 GLN H . . 5.020 5.022 4.772 5.106 0.086 8 0 "[ . 1 . 2]" 1
24 1 7 CYS QB 1 8 GLU H . . 4.080 3.504 3.237 3.645 . 0 0 "[ . 1 . 2]" 1
25 1 7 CYS QB 1 39 LYS HA . . 4.360 3.873 3.444 4.371 0.011 13 0 "[ . 1 . 2]" 1
26 1 7 CYS QB 1 42 CYS H . . 4.360 4.475 4.262 4.602 0.242 7 0 "[ . 1 . 2]" 1
27 1 7 CYS QB 1 43 GLN H . . 4.120 2.670 2.520 2.940 . 0 0 "[ . 1 . 2]" 1
28 1 7 CYS QB 1 43 GLN QE . . 3.770 3.955 3.876 4.139 0.369 17 0 "[ . 1 . 2]" 1
29 1 7 CYS QB 1 43 GLN QG . . 4.810 2.830 1.776 3.548 . 0 0 "[ . 1 . 2]" 1
30 1 7 CYS HB2 1 8 GLU H . . 4.820 4.010 3.923 4.127 . 0 0 "[ . 1 . 2]" 1
31 1 7 CYS HB2 1 39 LYS HA . . 5.130 4.637 4.249 5.143 0.013 13 0 "[ . 1 . 2]" 1
32 1 7 CYS HB2 1 43 GLN H . . 4.710 2.744 2.589 2.990 . 0 0 "[ . 1 . 2]" 1
33 1 7 CYS HB3 1 8 GLU H . . 4.820 3.886 3.428 4.221 . 0 0 "[ . 1 . 2]" 1
34 1 7 CYS HB3 1 39 LYS HA . . 5.130 4.160 3.559 4.730 . 0 0 "[ . 1 . 2]" 1
35 1 7 CYS HB3 1 43 GLN H . . 4.710 3.680 3.270 4.354 . 0 0 "[ . 1 . 2]" 1
36 1 7 CYS SG 1 42 CYS CB . . 3.100 3.037 2.958 3.084 . 0 0 "[ . 1 . 2]" 1
37 1 7 CYS SG 1 42 CYS SG . . 2.100 2.166 1.970 2.225 0.125 12 0 "[ . 1 . 2]" 1
38 1 8 GLU H 1 8 GLU QG . . 4.710 3.274 2.019 4.074 . 0 0 "[ . 1 . 2]" 1
39 1 8 GLU H 1 9 PRO HD2 . . 4.760 4.700 4.509 4.830 0.070 1 0 "[ . 1 . 2]" 1
40 1 8 GLU H 1 9 PRO QD . . 4.120 4.078 3.751 4.362 0.242 16 0 "[ . 1 . 2]" 1
41 1 8 GLU H 1 9 PRO HD3 . . 4.760 4.493 4.011 4.986 0.226 16 0 "[ . 1 . 2]" 1
42 1 8 GLU H 1 42 CYS QB . . 5.380 4.957 4.574 5.310 . 0 0 "[ . 1 . 2]" 1
43 1 8 GLU HA 1 9 PRO HD2 . . 3.880 2.074 1.913 2.386 . 0 0 "[ . 1 . 2]" 1
44 1 8 GLU HA 1 9 PRO QD . . 3.380 1.929 1.850 2.081 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLU HA 1 9 PRO HD3 . . 3.880 2.384 2.251 2.547 . 0 0 "[ . 1 . 2]" 1
46 1 8 GLU QG 1 10 LYS H . . 5.330 4.834 4.233 5.335 0.005 14 0 "[ . 1 . 2]" 1
47 1 8 GLU QG 1 11 LEU H . . 6.480 6.292 5.828 6.496 0.016 4 0 "[ . 1 . 2]" 1
48 1 9 PRO HA 1 10 LYS H . . 2.940 2.241 2.150 2.496 . 0 0 "[ . 1 . 2]" 1
49 1 10 LYS H 1 10 LYS QG . . 5.020 3.929 2.413 4.424 . 0 0 "[ . 1 . 2]" 1
50 1 10 LYS H 1 11 LEU H . . 3.570 1.894 1.869 2.056 . 0 0 "[ . 1 . 2]" 1
51 1 10 LYS QB 1 11 LEU H . . 5.280 3.334 2.595 3.964 . 0 0 "[ . 1 . 2]" 1
52 1 11 LEU H 1 12 CYS HB2 . . 5.540 5.499 5.249 5.668 0.128 3 0 "[ . 1 . 2]" 1
53 1 11 LEU H 1 12 CYS HB3 . . 5.540 3.881 3.647 4.130 . 0 0 "[ . 1 . 2]" 1
54 1 11 LEU HA 1 12 CYS H . . 2.790 2.162 2.139 2.266 . 0 0 "[ . 1 . 2]" 1
55 1 11 LEU QB 1 12 CYS H . . 5.490 3.680 3.448 3.885 . 0 0 "[ . 1 . 2]" 1
56 1 11 LEU QD 1 12 CYS H . . 7.540 3.206 2.261 4.541 . 0 0 "[ . 1 . 2]" 1
57 1 11 LEU QD 1 13 THR H . . 9.100 5.458 4.530 6.419 . 0 0 "[ . 1 . 2]" 1
58 1 12 CYS CB 1 35 CYS SG . . 3.100 3.177 3.031 3.242 0.142 7 0 "[ . 1 . 2]" 1
59 1 12 CYS H 1 12 CYS HB2 . . 4.090 3.993 3.920 4.025 . 0 0 "[ . 1 . 2]" 1
60 1 12 CYS H 1 12 CYS QB . . 3.570 3.241 3.135 3.332 . 0 0 "[ . 1 . 2]" 1
61 1 12 CYS H 1 12 CYS HB3 . . 4.090 3.433 3.273 3.605 . 0 0 "[ . 1 . 2]" 1
62 1 12 CYS H 1 13 THR H . . 4.820 4.365 4.335 4.372 . 0 0 "[ . 1 . 2]" 1
63 1 12 CYS HA 1 13 THR H . . 3.000 2.515 2.334 2.606 . 0 0 "[ . 1 . 2]" 1
64 1 12 CYS QB 1 13 THR H . . 3.360 2.226 1.997 2.618 . 0 0 "[ . 1 . 2]" 1
65 1 12 CYS QB 1 35 CYS H . . 4.650 3.554 2.914 3.949 . 0 0 "[ . 1 . 2]" 1
66 1 12 CYS QB 1 38 SER HA . . 5.140 5.189 5.106 5.242 0.102 5 0 "[ . 1 . 2]" 1
67 1 12 CYS HB2 1 13 THR H . . 3.980 2.246 2.010 2.656 . 0 0 "[ . 1 . 2]" 1
68 1 12 CYS HB2 1 38 SER HA . . 5.910 5.830 5.666 5.953 0.043 8 0 "[ . 1 . 2]" 1
69 1 12 CYS HB3 1 13 THR H . . 3.980 3.676 3.418 3.973 . 0 0 "[ . 1 . 2]" 1
70 1 12 CYS HB3 1 38 SER HA . . 5.910 5.834 5.560 5.949 0.039 14 0 "[ . 1 . 2]" 1
71 1 12 CYS SG 1 35 CYS CB . . 3.100 3.043 2.968 3.130 0.030 12 0 "[ . 1 . 2]" 1
72 1 12 CYS SG 1 35 CYS SG . . 2.100 1.955 1.895 2.085 . 0 0 "[ . 1 . 2]" 1
73 1 13 THR H 1 34 GLY QA . . 3.560 3.306 2.258 3.617 0.057 12 0 "[ . 1 . 2]" 1
74 1 13 THR HA 1 14 MET H . . 2.940 2.201 2.143 2.230 . 0 0 "[ . 1 . 2]" 1
75 1 13 THR HA 1 14 MET HB2 . . 5.650 5.475 4.740 5.732 0.082 15 0 "[ . 1 . 2]" 1
76 1 13 THR HA 1 14 MET QB . . 4.850 4.430 4.212 4.648 . 0 0 "[ . 1 . 2]" 1
77 1 13 THR HA 1 14 MET HB3 . . 5.650 4.834 4.346 5.692 0.042 11 0 "[ . 1 . 2]" 1
78 1 13 THR HA 1 14 MET HG2 . . 5.490 4.557 3.816 5.357 . 0 0 "[ . 1 . 2]" 1
79 1 13 THR HA 1 14 MET QG . . 4.820 3.879 3.403 4.312 . 0 0 "[ . 1 . 2]" 1
80 1 13 THR HA 1 14 MET HG3 . . 5.490 4.346 3.508 5.494 0.004 10 0 "[ . 1 . 2]" 1
81 1 13 THR HB 1 14 MET H . . 3.670 3.343 2.906 3.676 0.006 2 0 "[ . 1 . 2]" 1
82 1 13 THR HB 1 14 MET QG . . 5.240 4.451 3.663 5.146 . 0 0 "[ . 1 . 2]" 1
83 1 13 THR MG 1 14 MET H . . 5.990 3.047 2.281 4.127 . 0 0 "[ . 1 . 2]" 1
84 1 13 THR MG 1 15 ASP H . . 6.510 5.995 2.865 6.510 0.000 2 0 "[ . 1 . 2]" 1
85 1 14 MET H 1 14 MET HB2 . . 3.980 3.368 2.656 3.646 . 0 0 "[ . 1 . 2]" 1
86 1 14 MET H 1 14 MET QB . . 3.330 2.554 2.400 2.668 . 0 0 "[ . 1 . 2]" 1
87 1 14 MET H 1 14 MET HB3 . . 3.980 2.847 2.438 3.631 . 0 0 "[ . 1 . 2]" 1
88 1 14 MET H 1 14 MET HG2 . . 4.190 2.731 2.005 3.282 . 0 0 "[ . 1 . 2]" 1
89 1 14 MET H 1 14 MET QG . . 3.690 2.169 1.919 2.409 . 0 0 "[ . 1 . 2]" 1
90 1 14 MET H 1 14 MET HG3 . . 4.190 2.472 1.948 3.402 . 0 0 "[ . 1 . 2]" 1
91 1 14 MET HA 1 15 ASP H . . 3.260 2.375 2.140 3.493 0.233 16 0 "[ . 1 . 2]" 1
92 1 15 ASP H 1 15 ASP HB2 . . 4.040 2.964 2.141 3.305 . 0 0 "[ . 1 . 2]" 1
93 1 15 ASP H 1 15 ASP QB . . 3.440 2.788 2.099 2.988 . 0 0 "[ . 1 . 2]" 1
94 1 15 ASP H 1 15 ASP HB3 . . 4.040 3.479 2.963 3.825 . 0 0 "[ . 1 . 2]" 1
95 1 15 ASP H 1 34 GLY H . . 4.040 3.092 1.870 4.066 0.026 13 0 "[ . 1 . 2]" 1
96 1 15 ASP HA 1 16 LEU H . . 3.410 2.648 2.504 3.397 . 0 0 "[ . 1 . 2]" 1
97 1 15 ASP HA 1 17 VAL H . . 4.610 4.639 4.611 4.700 0.090 9 0 "[ . 1 . 2]" 1
98 1 15 ASP QB 1 16 LEU H . . 3.140 2.511 2.211 3.153 0.013 5 0 "[ . 1 . 2]" 1
99 1 15 ASP QB 1 17 VAL H . . 3.910 2.700 2.396 2.906 . 0 0 "[ . 1 . 2]" 1
100 1 15 ASP QB 1 17 VAL QG . . 6.820 2.812 1.974 3.989 . 0 0 "[ . 1 . 2]" 1
101 1 15 ASP HB2 1 16 LEU H . . 3.780 3.720 3.433 3.816 0.036 10 0 "[ . 1 . 2]" 1
102 1 15 ASP HB2 1 17 VAL H . . 4.660 4.284 3.489 4.667 0.007 15 0 "[ . 1 . 2]" 1
103 1 15 ASP HB3 1 16 LEU H . . 3.780 2.578 2.228 3.672 . 0 0 "[ . 1 . 2]" 1
104 1 15 ASP HB3 1 17 VAL H . . 4.660 2.738 2.412 3.090 . 0 0 "[ . 1 . 2]" 1
105 1 16 LEU H 1 16 LEU HB2 . . 4.090 2.979 2.436 3.823 . 0 0 "[ . 1 . 2]" 1
106 1 16 LEU H 1 16 LEU QB . . 3.250 2.698 2.401 3.160 . 0 0 "[ . 1 . 2]" 1
107 1 16 LEU H 1 16 LEU HB3 . . 4.090 3.345 2.756 3.953 . 0 0 "[ . 1 . 2]" 1
108 1 16 LEU H 1 17 VAL H . . 3.520 2.779 2.066 3.212 . 0 0 "[ . 1 . 2]" 1
109 1 16 LEU H 1 17 VAL HA . . 5.130 4.662 4.245 5.235 0.105 5 0 "[ . 1 . 2]" 1
110 1 16 LEU H 1 17 VAL HB . . 5.230 4.599 3.896 5.045 . 0 0 "[ . 1 . 2]" 1
111 1 16 LEU H 1 17 VAL QG . . 6.110 2.981 2.495 4.046 . 0 0 "[ . 1 . 2]" 1
112 1 16 LEU H 1 33 GLY QA . . 5.090 4.278 2.325 5.118 0.028 11 0 "[ . 1 . 2]" 1
113 1 16 LEU QB 1 17 VAL H . . 4.230 3.894 3.754 4.031 . 0 0 "[ . 1 . 2]" 1
114 1 16 LEU HB2 1 17 VAL H . . 4.920 4.411 4.149 4.604 . 0 0 "[ . 1 . 2]" 1
115 1 16 LEU HB3 1 17 VAL H . . 4.920 4.358 4.111 4.640 . 0 0 "[ . 1 . 2]" 1
116 1 17 VAL H 1 17 VAL HB . . 3.200 2.665 2.579 2.806 . 0 0 "[ . 1 . 2]" 1
117 1 17 VAL H 1 18 PRO QD . . 4.950 3.557 3.227 4.116 . 0 0 "[ . 1 . 2]" 1
118 1 17 VAL H 1 33 GLY H . . 4.400 2.450 2.037 3.197 . 0 0 "[ . 1 . 2]" 1
119 1 17 VAL H 1 33 GLY QA . . 3.860 3.361 2.084 3.889 0.029 16 0 "[ . 1 . 2]" 1
120 1 17 VAL H 1 34 GLY H . . 4.970 4.738 3.995 5.088 0.118 12 0 "[ . 1 . 2]" 1
121 1 17 VAL HA 1 18 PRO QB . . 5.110 4.703 4.543 4.760 . 0 0 "[ . 1 . 2]" 1
122 1 17 VAL HA 1 18 PRO QD . . 3.600 1.922 1.860 1.969 . 0 0 "[ . 1 . 2]" 1
123 1 17 VAL HB 1 33 GLY H . . 4.970 3.640 2.952 4.648 . 0 0 "[ . 1 . 2]" 1
124 1 17 VAL QG 1 18 PRO QD . . 6.730 2.937 2.041 3.138 . 0 0 "[ . 1 . 2]" 1
125 1 17 VAL QG 1 33 GLY H . . 7.010 3.998 3.569 4.674 . 0 0 "[ . 1 . 2]" 1
126 1 18 PRO HA 1 19 HIS H . . 3.100 2.188 2.152 2.390 . 0 0 "[ . 1 . 2]" 1
127 1 18 PRO HA 1 33 GLY H . . 4.240 3.809 2.345 4.087 . 0 0 "[ . 1 . 2]" 1
128 1 18 PRO QB 1 30 VAL QG . . 5.510 2.858 2.329 4.129 . 0 0 "[ . 1 . 2]" 1
129 1 18 PRO QB 1 32 HIS H . . 3.610 3.708 3.648 3.869 0.259 12 0 "[ . 1 . 2]" 1
130 1 18 PRO QB 1 33 GLY H . . 5.140 5.002 3.556 5.274 0.134 15 0 "[ . 1 . 2]" 1
131 1 18 PRO HB2 1 19 HIS H . . 4.140 3.643 2.642 3.911 . 0 0 "[ . 1 . 2]" 1
132 1 18 PRO HB3 1 19 HIS H . . 4.140 4.087 3.469 4.270 0.130 20 0 "[ . 1 . 2]" 1
133 1 18 PRO QD 1 63 ALA HA . . 3.930 3.858 3.408 3.980 0.050 20 0 "[ . 1 . 2]" 1
134 1 18 PRO HD2 1 63 ALA HA . . 4.560 4.499 4.147 4.672 0.112 6 0 "[ . 1 . 2]" 1
135 1 18 PRO HD3 1 63 ALA HA . . 4.560 4.253 3.512 4.576 0.016 4 0 "[ . 1 . 2]" 1
136 1 19 HIS H 1 19 HIS HB2 . . 4.040 2.679 2.463 3.856 . 0 0 "[ . 1 . 2]" 1
137 1 19 HIS H 1 19 HIS QB . . 3.410 2.581 2.422 3.074 . 0 0 "[ . 1 . 2]" 1
138 1 19 HIS H 1 19 HIS HB3 . . 4.040 3.578 3.230 3.807 . 0 0 "[ . 1 . 2]" 1
139 1 19 HIS H 1 30 VAL QG . . 5.660 3.101 2.506 4.669 . 0 0 "[ . 1 . 2]" 1
140 1 19 HIS H 1 32 HIS HA . . 4.190 3.288 3.149 3.748 . 0 0 "[ . 1 . 2]" 1
141 1 19 HIS QB 1 31 VAL H . . 4.370 4.490 4.376 4.684 0.314 18 0 "[ . 1 . 2]" 1
142 1 19 HIS HB2 1 31 VAL H . . 5.180 4.924 4.710 5.245 0.065 18 0 "[ . 1 . 2]" 1
143 1 19 HIS HB3 1 31 VAL H . . 5.180 5.189 4.855 5.325 0.145 11 0 "[ . 1 . 2]" 1
144 1 20 CYS CB 1 56 CYS SG . . 3.100 3.017 2.954 3.121 0.021 4 0 "[ . 1 . 2]" 1
145 1 20 CYS H 1 20 CYS QB . . 3.640 2.509 2.314 2.799 . 0 0 "[ . 1 . 2]" 1
146 1 20 CYS H 1 21 PHE QD . . 7.880 4.952 3.991 5.981 . 0 0 "[ . 1 . 2]" 1
147 1 20 CYS H 1 49 LYS HA . . 5.490 5.416 5.123 5.518 0.028 7 0 "[ . 1 . 2]" 1
148 1 20 CYS QB 1 21 PHE H . . 4.030 3.192 2.623 3.821 . 0 0 "[ . 1 . 2]" 1
149 1 20 CYS QB 1 50 LEU H . . 4.190 3.282 2.878 4.130 . 0 0 "[ . 1 . 2]" 1
150 1 20 CYS QB 1 50 LEU QB . . 3.770 2.625 1.825 3.788 0.018 11 0 "[ . 1 . 2]" 1
151 1 20 CYS QB 1 50 LEU QD . . 6.670 3.204 1.980 4.727 . 0 0 "[ . 1 . 2]" 1
152 1 20 CYS QB 1 56 CYS H . . 5.290 5.251 4.934 5.357 0.067 20 0 "[ . 1 . 2]" 1
153 1 20 CYS HB2 1 50 LEU H . . 4.970 4.038 2.918 5.009 0.039 16 0 "[ . 1 . 2]" 1
154 1 20 CYS HB3 1 50 LEU H . . 4.970 4.019 3.097 5.104 0.134 17 0 "[ . 1 . 2]" 1
155 1 20 CYS SG 1 56 CYS CB . . 3.100 3.116 2.992 3.302 0.202 11 0 "[ . 1 . 2]" 1
156 1 20 CYS SG 1 56 CYS SG . . 2.100 2.044 1.963 2.117 0.017 9 0 "[ . 1 . 2]" 1
157 1 21 PHE H 1 21 PHE HB2 . . 3.880 3.255 2.735 3.932 0.052 15 0 "[ . 1 . 2]" 1
158 1 21 PHE H 1 21 PHE QB . . 3.360 2.890 2.652 3.305 . 0 0 "[ . 1 . 2]" 1
159 1 21 PHE H 1 21 PHE HB3 . . 3.880 3.524 2.786 3.913 0.033 9 0 "[ . 1 . 2]" 1
160 1 21 PHE H 1 28 ILE HA . . 4.500 4.378 3.856 4.581 0.081 4 0 "[ . 1 . 2]" 1
161 1 21 PHE H 1 29 VAL H . . 3.930 2.887 2.436 3.052 . 0 0 "[ . 1 . 2]" 1
162 1 21 PHE H 1 29 VAL HA . . 5.540 4.747 4.630 4.841 . 0 0 "[ . 1 . 2]" 1
163 1 21 PHE H 1 29 VAL HB . . 4.400 4.221 3.877 4.428 0.028 19 0 "[ . 1 . 2]" 1
164 1 21 PHE H 1 29 VAL QG . . 6.460 4.312 4.087 4.447 . 0 0 "[ . 1 . 2]" 1
165 1 21 PHE H 1 30 VAL H . . 5.180 4.852 4.689 5.050 . 0 0 "[ . 1 . 2]" 1
166 1 21 PHE H 1 30 VAL HA . . 4.190 3.360 3.167 3.757 . 0 0 "[ . 1 . 2]" 1
167 1 21 PHE H 1 30 VAL QG . . 7.550 4.301 3.383 4.833 . 0 0 "[ . 1 . 2]" 1
168 1 21 PHE HA 1 22 LEU H . . 3.050 2.379 2.343 2.392 . 0 0 "[ . 1 . 2]" 1
169 1 21 PHE HA 1 49 LYS HA . . 4.140 3.130 2.924 3.471 . 0 0 "[ . 1 . 2]" 1
170 1 21 PHE HA 1 50 LEU H . . 3.720 3.512 2.975 3.794 0.074 16 0 "[ . 1 . 2]" 1
171 1 21 PHE QB 1 22 LEU H . . 3.450 2.589 2.434 3.066 . 0 0 "[ . 1 . 2]" 1
172 1 21 PHE QB 1 29 VAL H . . 4.900 4.439 3.944 4.924 0.024 16 0 "[ . 1 . 2]" 1
173 1 21 PHE QB 1 49 LYS HA . . 4.870 4.448 4.030 4.901 0.031 6 0 "[ . 1 . 2]" 1
174 1 21 PHE HB2 1 22 LEU H . . 4.090 3.265 2.476 4.061 . 0 0 "[ . 1 . 2]" 1
175 1 21 PHE HB2 1 49 LYS HA . . 5.700 5.305 4.716 5.796 0.096 9 0 "[ . 1 . 2]" 1
176 1 21 PHE HB3 1 22 LEU H . . 4.090 3.127 2.466 4.023 . 0 0 "[ . 1 . 2]" 1
177 1 21 PHE HB3 1 49 LYS HA . . 5.700 4.899 4.242 5.700 . 0 0 "[ . 1 . 2]" 1
178 1 21 PHE QD 1 22 LEU H . . 7.150 3.314 1.966 4.321 . 0 0 "[ . 1 . 2]" 1
179 1 21 PHE QD 1 31 VAL H . . 8.450 4.264 3.021 7.035 . 0 0 "[ . 1 . 2]" 1
180 1 21 PHE QD 1 47 HIS QB . . 7.390 5.324 3.138 6.821 . 0 0 "[ . 1 . 2]" 1
181 1 21 PHE QD 1 49 LYS H . . 7.780 6.194 4.498 7.837 0.057 15 0 "[ . 1 . 2]" 1
182 1 21 PHE QD 1 49 LYS HA . . 7.460 4.452 2.701 6.154 . 0 0 "[ . 1 . 2]" 1
183 1 21 PHE QD 1 50 LEU H . . 8.090 5.348 3.829 6.712 . 0 0 "[ . 1 . 2]" 1
184 1 22 LEU H 1 22 LEU HB2 . . 3.460 2.319 2.137 2.997 . 0 0 "[ . 1 . 2]" 1
185 1 22 LEU H 1 22 LEU HB3 . . 3.460 3.124 2.297 3.434 . 0 0 "[ . 1 . 2]" 1
186 1 22 LEU H 1 23 ASN H . . 4.920 4.426 4.295 4.480 . 0 0 "[ . 1 . 2]" 1
187 1 22 LEU H 1 47 HIS HB2 . . 5.130 4.904 4.030 5.181 0.051 20 0 "[ . 1 . 2]" 1
188 1 22 LEU H 1 47 HIS QB . . 4.290 4.016 3.722 4.242 . 0 0 "[ . 1 . 2]" 1
189 1 22 LEU H 1 47 HIS HB3 . . 5.130 4.366 3.910 5.145 0.015 15 0 "[ . 1 . 2]" 1
190 1 22 LEU HA 1 23 ASN H . . 2.940 2.149 2.139 2.169 . 0 0 "[ . 1 . 2]" 1
191 1 22 LEU QB 1 23 ASN H . . 3.890 3.535 3.230 3.821 . 0 0 "[ . 1 . 2]" 1
192 1 22 LEU QB 1 43 GLN QE . . 4.730 4.829 4.779 4.879 0.149 18 0 "[ . 1 . 2]" 1
193 1 22 LEU QB 1 48 GLU H . . 4.600 4.604 4.226 4.702 0.102 4 0 "[ . 1 . 2]" 1
194 1 22 LEU HB2 1 23 ASN H . . 4.710 4.459 4.185 4.546 . 0 0 "[ . 1 . 2]" 1
195 1 22 LEU HB3 1 23 ASN H . . 4.710 3.724 3.327 4.414 . 0 0 "[ . 1 . 2]" 1
196 1 23 ASN H 1 23 ASN HB2 . . 3.720 2.561 2.326 3.002 . 0 0 "[ . 1 . 2]" 1
197 1 23 ASN H 1 23 ASN QB . . 3.190 2.426 2.285 2.673 . 0 0 "[ . 1 . 2]" 1
198 1 23 ASN H 1 23 ASN HB3 . . 3.720 3.201 2.611 3.773 0.053 7 0 "[ . 1 . 2]" 1
199 1 23 ASN H 1 24 PRO QD . . 4.750 4.131 3.820 4.353 . 0 0 "[ . 1 . 2]" 1
200 1 23 ASN H 1 26 LYS QG . . 5.000 4.894 4.408 5.090 0.090 3 0 "[ . 1 . 2]" 1
201 1 23 ASN H 1 29 VAL H . . 4.760 4.256 3.708 4.805 0.045 11 0 "[ . 1 . 2]" 1
202 1 23 ASN H 1 29 VAL MG1 . . 6.300 6.073 5.698 6.342 0.042 18 0 "[ . 1 . 2]" 1
203 1 23 ASN H 1 29 VAL QG . . 5.570 3.933 3.520 4.324 . 0 0 "[ . 1 . 2]" 1
204 1 23 ASN H 1 29 VAL MG2 . . 6.300 3.985 3.554 4.401 . 0 0 "[ . 1 . 2]" 1
205 1 23 ASN HA 1 24 PRO QD . . 3.490 1.911 1.851 2.005 . 0 0 "[ . 1 . 2]" 1
206 1 23 ASN HA 1 24 PRO HG2 . . 5.440 4.229 4.114 4.387 . 0 0 "[ . 1 . 2]" 1
207 1 23 ASN HA 1 24 PRO QG . . 4.800 3.818 3.766 3.909 . 0 0 "[ . 1 . 2]" 1
208 1 23 ASN HA 1 24 PRO HG3 . . 5.440 4.352 4.316 4.388 . 0 0 "[ . 1 . 2]" 1
209 1 23 ASN QB 1 25 GLU H . . 4.290 2.922 2.390 3.766 . 0 0 "[ . 1 . 2]" 1
210 1 23 ASN QB 1 26 LYS H . . 3.910 2.423 1.923 3.105 . 0 0 "[ . 1 . 2]" 1
211 1 23 ASN QB 1 27 GLY H . . 3.710 1.978 1.871 2.163 . 0 0 "[ . 1 . 2]" 1
212 1 23 ASN HB2 1 25 GLU H . . 5.020 4.275 3.103 4.861 . 0 0 "[ . 1 . 2]" 1
213 1 23 ASN HB2 1 27 GLY H . . 4.560 2.750 1.931 3.907 . 0 0 "[ . 1 . 2]" 1
214 1 23 ASN HB3 1 25 GLU H . . 5.020 2.993 2.407 3.922 . 0 0 "[ . 1 . 2]" 1
215 1 23 ASN HB3 1 27 GLY H . . 4.560 2.345 1.931 3.865 . 0 0 "[ . 1 . 2]" 1
216 1 23 ASN QD 1 29 VAL QG . . 5.770 3.650 1.989 5.075 . 0 0 "[ . 1 . 2]" 1
217 1 24 PRO HA 1 26 LYS H . . 4.560 4.222 3.622 4.604 0.044 10 0 "[ . 1 . 2]" 1
218 1 24 PRO QD 1 25 GLU H . . 3.570 2.738 2.614 2.805 . 0 0 "[ . 1 . 2]" 1
219 1 24 PRO HD2 1 25 GLU H . . 4.400 2.795 2.659 2.868 . 0 0 "[ . 1 . 2]" 1
220 1 24 PRO HD3 1 25 GLU H . . 4.400 3.921 3.848 3.961 . 0 0 "[ . 1 . 2]" 1
221 1 25 GLU H 1 25 GLU QG . . 4.710 3.417 2.054 4.097 . 0 0 "[ . 1 . 2]" 1
222 1 25 GLU H 1 26 LYS H . . 3.000 2.229 2.009 2.540 . 0 0 "[ . 1 . 2]" 1
223 1 25 GLU H 1 26 LYS QE . . 7.150 5.727 4.869 7.034 . 0 0 "[ . 1 . 2]" 1
224 1 25 GLU H 1 26 LYS QG . . 4.460 3.608 3.215 4.237 . 0 0 "[ . 1 . 2]" 1
225 1 25 GLU QG 1 26 LYS H . . 5.910 4.071 2.649 4.788 . 0 0 "[ . 1 . 2]" 1
226 1 25 GLU QG 1 27 GLY H . . 7.360 5.935 4.254 6.976 . 0 0 "[ . 1 . 2]" 1
227 1 26 LYS H 1 26 LYS QD . . 6.060 4.159 3.128 4.743 . 0 0 "[ . 1 . 2]" 1
228 1 26 LYS H 1 26 LYS QE . . 7.310 4.631 3.694 5.145 . 0 0 "[ . 1 . 2]" 1
229 1 26 LYS H 1 26 LYS QG . . 3.420 2.384 1.975 2.859 . 0 0 "[ . 1 . 2]" 1
230 1 26 LYS H 1 27 GLY H . . 3.150 2.384 1.913 2.668 . 0 0 "[ . 1 . 2]" 1
231 1 26 LYS H 1 27 GLY QA . . 4.600 3.850 3.755 3.940 . 0 0 "[ . 1 . 2]" 1
232 1 26 LYS H 1 29 VAL MG1 . . 7.660 7.035 6.406 7.661 0.001 7 0 "[ . 1 . 2]" 1
233 1 26 LYS H 1 29 VAL MG2 . . 7.660 4.859 4.211 5.370 . 0 0 "[ . 1 . 2]" 1
234 1 26 LYS QB 1 27 GLY H . . 5.960 2.420 1.886 3.414 . 0 0 "[ . 1 . 2]" 1
235 1 26 LYS QD 1 27 GLY H . . 6.690 3.948 2.654 4.697 . 0 0 "[ . 1 . 2]" 1
236 1 26 LYS QG 1 27 GLY H . . 3.870 2.623 1.879 3.554 . 0 0 "[ . 1 . 2]" 1
237 1 27 GLY H 1 29 VAL MG1 . . 7.140 5.713 5.244 6.058 . 0 0 "[ . 1 . 2]" 1
238 1 27 GLY H 1 29 VAL QG . . 6.310 3.217 2.586 3.545 . 0 0 "[ . 1 . 2]" 1
239 1 27 GLY H 1 29 VAL MG2 . . 7.140 3.235 2.592 3.571 . 0 0 "[ . 1 . 2]" 1
240 1 27 GLY QA 1 28 ILE H . . 3.050 2.195 2.109 2.283 . 0 0 "[ . 1 . 2]" 1
241 1 27 GLY QA 1 28 ILE HB . . 4.800 4.474 4.359 4.552 . 0 0 "[ . 1 . 2]" 1
242 1 27 GLY HA2 1 28 ILE HB . . 5.440 5.128 4.794 5.472 0.032 1 0 "[ . 1 . 2]" 1
243 1 27 GLY HA3 1 28 ILE HB . . 5.440 4.965 4.707 5.226 . 0 0 "[ . 1 . 2]" 1
244 1 28 ILE H 1 28 ILE HB . . 2.940 2.695 2.607 2.998 0.058 16 0 "[ . 1 . 2]" 1
245 1 28 ILE H 1 29 VAL H . . 4.820 4.398 3.520 4.604 . 0 0 "[ . 1 . 2]" 1
246 1 28 ILE HA 1 29 VAL H . . 3.000 2.179 2.143 2.311 . 0 0 "[ . 1 . 2]" 1
247 1 28 ILE HA 1 29 VAL QG . . 7.010 3.714 3.587 4.005 . 0 0 "[ . 1 . 2]" 1
248 1 28 ILE HB 1 29 VAL H . . 4.610 4.209 4.040 4.542 . 0 0 "[ . 1 . 2]" 1
249 1 28 ILE MD 1 29 VAL H . . 7.710 3.592 2.631 5.132 . 0 0 "[ . 1 . 2]" 1
250 1 28 ILE MD 1 55 GLU H . . 6.720 5.310 4.540 5.828 . 0 0 "[ . 1 . 2]" 1
251 1 28 ILE MD 1 55 GLU QG . . 6.560 4.459 2.406 5.324 . 0 0 "[ . 1 . 2]" 1
252 1 28 ILE MD 1 56 CYS H . . 6.150 4.410 3.748 4.933 . 0 0 "[ . 1 . 2]" 1
253 1 28 ILE MD 1 57 GLU H . . 7.660 4.578 2.979 5.259 . 0 0 "[ . 1 . 2]" 1
254 1 28 ILE MD 1 58 GLU H . . 7.400 4.433 3.012 5.150 . 0 0 "[ . 1 . 2]" 1
255 1 28 ILE MD 1 62 ASN H . . 8.020 8.055 8.012 8.149 0.129 12 0 "[ . 1 . 2]" 1
256 1 28 ILE QG 1 29 VAL H . . 7.410 2.750 2.180 3.859 . 0 0 "[ . 1 . 2]" 1
257 1 28 ILE QG 1 55 GLU H . . 6.740 5.763 4.810 6.843 0.103 20 0 "[ . 1 . 2]" 1
258 1 29 VAL H 1 29 VAL HB . . 3.670 2.848 2.645 2.918 . 0 0 "[ . 1 . 2]" 1
259 1 29 VAL H 1 30 VAL H . . 4.970 4.304 4.159 4.405 . 0 0 "[ . 1 . 2]" 1
260 1 29 VAL H 1 30 VAL QG . . 5.110 4.845 4.025 5.183 0.073 13 0 "[ . 1 . 2]" 1
261 1 29 VAL HA 1 30 VAL H . . 2.890 2.205 2.141 2.258 . 0 0 "[ . 1 . 2]" 1
262 1 29 VAL QG 1 30 VAL H . . 4.950 2.232 1.958 2.713 . 0 0 "[ . 1 . 2]" 1
263 1 29 VAL QG 1 31 VAL H . . 7.850 4.123 3.945 4.362 . 0 0 "[ . 1 . 2]" 1
264 1 29 VAL MG1 1 30 VAL H . . 6.040 2.248 1.964 2.753 . 0 0 "[ . 1 . 2]" 1
265 1 29 VAL MG2 1 30 VAL H . . 6.040 3.917 3.804 4.092 . 0 0 "[ . 1 . 2]" 1
266 1 30 VAL H 1 31 VAL HA . . 5.490 5.140 5.033 5.331 . 0 0 "[ . 1 . 2]" 1
267 1 30 VAL HA 1 31 VAL H . . 3.050 2.157 2.142 2.201 . 0 0 "[ . 1 . 2]" 1
268 1 30 VAL HB 1 31 VAL H . . 4.710 4.107 3.292 4.268 . 0 0 "[ . 1 . 2]" 1
269 1 30 VAL QG 1 31 VAL H . . 4.590 2.437 2.033 3.551 . 0 0 "[ . 1 . 2]" 1
270 1 30 VAL QG 1 31 VAL HA . . 6.910 3.307 3.149 3.838 . 0 0 "[ . 1 . 2]" 1
271 1 30 VAL QG 1 32 HIS H . . 6.810 4.689 4.271 5.495 . 0 0 "[ . 1 . 2]" 1
272 1 30 VAL QG 1 59 ALA H . . 5.760 3.055 2.342 3.813 . 0 0 "[ . 1 . 2]" 1
273 1 30 VAL QG 1 60 ILE H . . 6.760 4.364 4.004 4.854 . 0 0 "[ . 1 . 2]" 1
274 1 30 VAL QG 1 60 ILE QG . . 5.890 5.317 4.936 5.640 . 0 0 "[ . 1 . 2]" 1
275 1 30 VAL QG 1 61 LYS H . . 7.450 5.105 4.401 5.952 . 0 0 "[ . 1 . 2]" 1
276 1 30 VAL QG 1 62 ASN H . . 6.880 3.943 3.178 4.678 . 0 0 "[ . 1 . 2]" 1
277 1 30 VAL QG 1 63 ALA H . . 6.130 4.078 3.261 4.642 . 0 0 "[ . 1 . 2]" 1
278 1 30 VAL QG 1 63 ALA MB . . 6.590 3.733 3.219 5.230 . 0 0 "[ . 1 . 2]" 1
279 1 30 VAL MG1 1 31 VAL H . . 5.260 3.776 2.291 4.149 . 0 0 "[ . 1 . 2]" 1
280 1 30 VAL MG1 1 62 ASN H . . 7.910 4.373 3.322 5.598 . 0 0 "[ . 1 . 2]" 1
281 1 30 VAL MG1 1 63 ALA H . . 7.340 4.927 4.008 6.499 . 0 0 "[ . 1 . 2]" 1
282 1 30 VAL MG1 1 63 ALA MB . . 7.690 4.946 3.698 6.469 . 0 0 "[ . 1 . 2]" 1
283 1 30 VAL MG2 1 31 VAL H . . 5.260 2.744 2.040 4.137 . 0 0 "[ . 1 . 2]" 1
284 1 30 VAL MG2 1 62 ASN H . . 7.910 4.665 3.534 5.275 . 0 0 "[ . 1 . 2]" 1
285 1 30 VAL MG2 1 63 ALA H . . 7.340 4.549 3.407 5.948 . 0 0 "[ . 1 . 2]" 1
286 1 30 VAL MG2 1 63 ALA MB . . 7.690 4.089 3.273 5.771 . 0 0 "[ . 1 . 2]" 1
287 1 31 VAL H 1 31 VAL HB . . 4.140 3.730 3.003 3.961 . 0 0 "[ . 1 . 2]" 1
288 1 31 VAL HA 1 32 HIS H . . 2.940 2.355 2.212 2.507 . 0 0 "[ . 1 . 2]" 1
289 1 31 VAL HA 1 63 ALA MB . . 6.560 6.577 6.516 6.656 0.096 18 0 "[ . 1 . 2]" 1
290 1 31 VAL HB 1 32 HIS H . . 3.460 2.695 2.156 3.535 0.075 2 0 "[ . 1 . 2]" 1
291 1 32 HIS H 1 32 HIS HB2 . . 3.880 3.598 2.460 3.722 . 0 0 "[ . 1 . 2]" 1
292 1 32 HIS H 1 32 HIS QB . . 3.240 2.807 2.422 2.982 . 0 0 "[ . 1 . 2]" 1
293 1 32 HIS H 1 32 HIS HB3 . . 3.880 2.987 2.545 3.615 . 0 0 "[ . 1 . 2]" 1
294 1 32 HIS HA 1 33 GLY H . . 3.310 2.272 2.144 2.286 . 0 0 "[ . 1 . 2]" 1
295 1 32 HIS QB 1 33 GLY H . . 4.220 2.762 2.699 3.374 . 0 0 "[ . 1 . 2]" 1
296 1 32 HIS HB2 1 33 GLY H . . 4.970 2.880 2.759 3.871 . 0 0 "[ . 1 . 2]" 1
297 1 32 HIS HB3 1 33 GLY H . . 4.970 3.862 2.760 4.304 . 0 0 "[ . 1 . 2]" 1
298 1 33 GLY H 1 34 GLY H . . 4.560 4.004 3.640 4.631 0.071 12 0 "[ . 1 . 2]" 1
299 1 34 GLY H 1 35 CYS H . . 3.930 2.944 2.411 4.048 0.118 12 0 "[ . 1 . 2]" 1
300 1 34 GLY H 1 37 LEU HB2 . . 5.540 5.203 3.049 5.593 0.053 5 0 "[ . 1 . 2]" 1
301 1 34 GLY H 1 37 LEU HB3 . . 5.540 5.084 2.168 5.571 0.031 7 0 "[ . 1 . 2]" 1
302 1 34 GLY H 1 37 LEU QD . . 7.840 5.077 2.826 5.633 . 0 0 "[ . 1 . 2]" 1
303 1 34 GLY QA 1 37 LEU QB . . 3.890 2.845 2.499 3.909 0.019 12 0 "[ . 1 . 2]" 1
304 1 34 GLY QA 1 37 LEU QD . . 6.440 3.516 3.109 4.404 . 0 0 "[ . 1 . 2]" 1
305 1 34 GLY HA2 1 37 LEU HB2 . . 5.540 3.625 3.030 5.561 0.021 12 0 "[ . 1 . 2]" 1
306 1 34 GLY HA2 1 37 LEU HB3 . . 5.540 3.094 2.649 4.614 . 0 0 "[ . 1 . 2]" 1
307 1 34 GLY HA3 1 37 LEU HB2 . . 5.540 5.089 4.662 5.555 0.015 11 0 "[ . 1 . 2]" 1
308 1 34 GLY HA3 1 37 LEU HB3 . . 5.540 4.381 3.988 5.240 . 0 0 "[ . 1 . 2]" 1
309 1 35 CYS H 1 35 CYS HB2 . . 3.880 2.154 2.065 2.333 . 0 0 "[ . 1 . 2]" 1
310 1 35 CYS H 1 35 CYS QB . . 3.360 2.126 2.044 2.303 . 0 0 "[ . 1 . 2]" 1
311 1 35 CYS H 1 35 CYS HB3 . . 3.880 3.295 2.991 3.563 . 0 0 "[ . 1 . 2]" 1
312 1 35 CYS H 1 36 ALA H . . 3.200 2.674 2.223 2.867 . 0 0 "[ . 1 . 2]" 1
313 1 35 CYS HA 1 39 LYS H . . 3.830 3.787 3.452 3.914 0.084 18 0 "[ . 1 . 2]" 1
314 1 35 CYS QB 1 36 ALA H . . 3.240 2.604 2.479 2.899 . 0 0 "[ . 1 . 2]" 1
315 1 35 CYS HB2 1 36 ALA H . . 3.720 3.067 2.582 3.391 . 0 0 "[ . 1 . 2]" 1
316 1 35 CYS HB3 1 36 ALA H . . 3.720 2.924 2.570 3.413 . 0 0 "[ . 1 . 2]" 1
317 1 36 ALA H 1 37 LEU H . . 3.460 2.617 2.587 2.655 . 0 0 "[ . 1 . 2]" 1
318 1 36 ALA H 1 37 LEU HA . . 5.180 5.239 5.212 5.271 0.091 19 0 "[ . 1 . 2]" 1
319 1 36 ALA H 1 37 LEU QB . . 4.850 4.384 4.341 4.427 . 0 0 "[ . 1 . 2]" 1
320 1 36 ALA H 1 38 SER H . . 5.020 4.247 4.089 4.478 . 0 0 "[ . 1 . 2]" 1
321 1 37 LEU H 1 37 LEU HB2 . . 3.260 2.460 2.383 2.581 . 0 0 "[ . 1 . 2]" 1
322 1 37 LEU H 1 37 LEU HB3 . . 3.260 2.615 2.485 2.698 . 0 0 "[ . 1 . 2]" 1
323 1 37 LEU H 1 38 SER H . . 3.360 2.514 2.464 2.686 . 0 0 "[ . 1 . 2]" 1
324 1 37 LEU HA 1 40 TYR HB2 . . 5.020 3.293 2.304 4.354 . 0 0 "[ . 1 . 2]" 1
325 1 37 LEU HA 1 40 TYR QB . . 4.350 2.700 2.272 3.216 . 0 0 "[ . 1 . 2]" 1
326 1 37 LEU HA 1 40 TYR HB3 . . 5.020 3.438 2.299 4.963 . 0 0 "[ . 1 . 2]" 1
327 1 37 LEU QB 1 38 SER H . . 3.140 2.449 2.293 2.570 . 0 0 "[ . 1 . 2]" 1
328 1 37 LEU HB2 1 38 SER H . . 3.780 3.708 3.599 3.789 0.009 6 0 "[ . 1 . 2]" 1
329 1 37 LEU HB3 1 38 SER H . . 3.780 2.485 2.315 2.614 . 0 0 "[ . 1 . 2]" 1
330 1 37 LEU QD 1 38 SER H . . 6.060 3.853 3.149 4.054 . 0 0 "[ . 1 . 2]" 1
331 1 37 LEU QD 1 40 TYR H . . 7.300 4.913 4.490 5.440 . 0 0 "[ . 1 . 2]" 1
332 1 37 LEU QD 1 41 LYS H . . 6.760 4.675 4.196 5.004 . 0 0 "[ . 1 . 2]" 1
333 1 37 LEU HG 1 38 SER H . . 4.090 4.089 3.938 4.123 0.033 6 0 "[ . 1 . 2]" 1
334 1 38 SER H 1 39 LYS H . . 3.410 2.690 2.458 2.918 . 0 0 "[ . 1 . 2]" 1
335 1 38 SER H 1 40 TYR H . . 4.450 4.178 3.785 4.466 0.016 8 0 "[ . 1 . 2]" 1
336 1 39 LYS H 1 39 LYS QE . . 6.270 4.032 2.848 4.897 . 0 0 "[ . 1 . 2]" 1
337 1 39 LYS H 1 40 TYR H . . 3.100 2.660 2.329 2.955 . 0 0 "[ . 1 . 2]" 1
338 1 39 LYS HA 1 42 CYS HB2 . . 4.820 3.990 3.400 4.822 0.002 13 0 "[ . 1 . 2]" 1
339 1 39 LYS HA 1 42 CYS QB . . 4.140 2.467 2.016 3.113 . 0 0 "[ . 1 . 2]" 1
340 1 39 LYS HA 1 42 CYS HB3 . . 4.820 2.491 2.031 3.152 . 0 0 "[ . 1 . 2]" 1
341 1 39 LYS QB 1 40 TYR H . . 5.230 2.562 2.301 2.844 . 0 0 "[ . 1 . 2]" 1
342 1 40 TYR H 1 40 TYR QB . . 3.110 2.260 2.068 2.577 . 0 0 "[ . 1 . 2]" 1
343 1 40 TYR H 1 41 LYS H . . 3.520 2.717 2.472 2.853 . 0 0 "[ . 1 . 2]" 1
344 1 40 TYR H 1 42 CYS H . . 4.760 4.012 3.846 4.127 . 0 0 "[ . 1 . 2]" 1
345 1 40 TYR HA 1 42 CYS H . . 4.820 4.056 3.774 4.178 . 0 0 "[ . 1 . 2]" 1
346 1 40 TYR HA 1 43 GLN H . . 4.190 3.610 3.062 3.769 . 0 0 "[ . 1 . 2]" 1
347 1 40 TYR HA 1 43 GLN HB2 . . 5.080 4.544 1.981 4.885 . 0 0 "[ . 1 . 2]" 1
348 1 40 TYR HA 1 43 GLN QB . . 4.250 3.905 1.966 4.265 0.015 10 0 "[ . 1 . 2]" 1
349 1 40 TYR HA 1 43 GLN HB3 . . 5.080 4.313 3.290 4.702 . 0 0 "[ . 1 . 2]" 1
350 1 40 TYR HA 1 43 GLN HG2 . . 5.750 2.357 1.977 4.755 . 0 0 "[ . 1 . 2]" 1
351 1 40 TYR HA 1 43 GLN HG3 . . 5.750 2.511 2.208 3.582 . 0 0 "[ . 1 . 2]" 1
352 1 40 TYR HA 1 44 ASN H . . 4.450 3.909 3.487 4.401 . 0 0 "[ . 1 . 2]" 1
353 1 40 TYR QB 1 41 LYS H . . 3.300 2.790 2.377 3.006 . 0 0 "[ . 1 . 2]" 1
354 1 40 TYR HB2 1 41 LYS H . . 3.980 3.578 2.923 4.089 0.109 10 0 "[ . 1 . 2]" 1
355 1 40 TYR HB3 1 41 LYS H . . 3.980 3.196 2.400 4.012 0.032 15 0 "[ . 1 . 2]" 1
356 1 40 TYR QD 1 41 LYS HA . . 7.410 4.795 3.592 5.924 . 0 0 "[ . 1 . 2]" 1
357 1 41 LYS H 1 41 LYS QE . . 5.960 5.471 4.280 5.934 . 0 0 "[ . 1 . 2]" 1
358 1 41 LYS H 1 42 CYS H . . 3.310 2.457 2.317 2.738 . 0 0 "[ . 1 . 2]" 1
359 1 41 LYS H 1 42 CYS QB . . 4.900 4.156 4.002 4.504 . 0 0 "[ . 1 . 2]" 1
360 1 41 LYS QB 1 42 CYS H . . 4.810 2.957 2.904 3.017 . 0 0 "[ . 1 . 2]" 1
361 1 42 CYS H 1 42 CYS HB2 . . 3.260 3.189 3.008 3.405 0.145 13 0 "[ . 1 . 2]" 1
362 1 42 CYS H 1 42 CYS HB3 . . 3.260 2.153 2.104 2.245 . 0 0 "[ . 1 . 2]" 1
363 1 42 CYS H 1 43 GLN H . . 3.460 2.487 2.183 2.571 . 0 0 "[ . 1 . 2]" 1
364 1 42 CYS H 1 43 GLN QG . . 4.800 3.528 3.392 4.866 0.066 13 0 "[ . 1 . 2]" 1
365 1 42 CYS H 1 44 ASN H . . 4.450 3.928 3.572 4.060 . 0 0 "[ . 1 . 2]" 1
366 1 42 CYS HA 1 45 PRO QB . . 3.520 3.620 3.547 3.710 0.190 1 0 "[ . 1 . 2]" 1
367 1 42 CYS QB 1 43 GLN H . . 3.420 2.767 2.544 3.048 . 0 0 "[ . 1 . 2]" 1
368 1 42 CYS HB2 1 43 GLN H . . 3.980 4.019 3.919 4.129 0.149 13 0 "[ . 1 . 2]" 1
369 1 42 CYS HB3 1 43 GLN H . . 3.980 2.822 2.577 3.141 . 0 0 "[ . 1 . 2]" 1
370 1 43 GLN H 1 43 GLN HB2 . . 3.720 3.492 2.110 3.583 . 0 0 "[ . 1 . 2]" 1
371 1 43 GLN H 1 43 GLN QB . . 3.160 2.635 2.091 2.717 . 0 0 "[ . 1 . 2]" 1
372 1 43 GLN H 1 43 GLN HB3 . . 3.720 2.785 2.360 3.415 . 0 0 "[ . 1 . 2]" 1
373 1 43 GLN H 1 43 GLN HG2 . . 3.930 2.657 1.881 3.657 . 0 0 "[ . 1 . 2]" 1
374 1 43 GLN H 1 43 GLN QG . . 3.310 2.015 1.865 3.128 . 0 0 "[ . 1 . 2]" 1
375 1 43 GLN H 1 43 GLN HG3 . . 3.930 2.147 1.914 3.399 . 0 0 "[ . 1 . 2]" 1
376 1 43 GLN H 1 44 ASN H . . 3.260 2.711 2.589 2.881 . 0 0 "[ . 1 . 2]" 1
377 1 43 GLN HA 1 43 GLN QE . . 5.190 4.477 3.116 5.151 . 0 0 "[ . 1 . 2]" 1
378 1 43 GLN HA 1 43 GLN QG . . 3.630 3.252 2.016 3.379 . 0 0 "[ . 1 . 2]" 1
379 1 43 GLN QB 1 44 ASN H . . 3.160 3.228 2.599 3.546 0.386 17 0 "[ . 1 . 2]" 1
380 1 43 GLN HB2 1 43 GLN HE22 . . 5.600 3.512 3.197 4.702 . 0 0 "[ . 1 . 2]" 1
381 1 43 GLN HB2 1 44 ASN H . . 3.980 3.441 2.914 4.081 0.101 17 0 "[ . 1 . 2]" 1
382 1 43 GLN HB3 1 43 GLN HE22 . . 5.600 4.292 3.385 4.666 . 0 0 "[ . 1 . 2]" 1
383 1 43 GLN HB3 1 44 ASN H . . 3.980 3.934 2.920 4.029 0.049 19 0 "[ . 1 . 2]" 1
384 1 43 GLN QG 1 44 ASN H . . 4.310 2.014 1.866 4.375 0.065 13 0 "[ . 1 . 2]" 1
385 1 43 GLN HG2 1 44 ASN H . . 4.920 3.622 2.558 4.857 . 0 0 "[ . 1 . 2]" 1
386 1 43 GLN HG3 1 44 ASN H . . 4.920 2.053 1.872 4.970 0.050 13 0 "[ . 1 . 2]" 1
387 1 44 ASN H 1 44 ASN QB . . 3.670 2.713 2.494 2.875 . 0 0 "[ . 1 . 2]" 1
388 1 44 ASN H 1 45 PRO HD2 . . 4.350 3.980 3.797 4.062 . 0 0 "[ . 1 . 2]" 1
389 1 44 ASN H 1 45 PRO QD . . 3.720 3.070 2.844 3.169 . 0 0 "[ . 1 . 2]" 1
390 1 44 ASN H 1 45 PRO HD3 . . 4.350 3.194 2.938 3.306 . 0 0 "[ . 1 . 2]" 1
391 1 44 ASN QB 1 46 ASN H . . 3.610 3.367 3.274 3.533 . 0 0 "[ . 1 . 2]" 1
392 1 44 ASN QB 1 46 ASN QD . . 4.770 4.099 3.184 4.676 . 0 0 "[ . 1 . 2]" 1
393 1 44 ASN QB 1 47 HIS H . . 3.990 2.769 2.503 3.543 . 0 0 "[ . 1 . 2]" 1
394 1 44 ASN HB2 1 47 HIS H . . 4.560 3.886 3.448 4.425 . 0 0 "[ . 1 . 2]" 1
395 1 44 ASN HB3 1 47 HIS H . . 4.560 2.846 2.529 3.745 . 0 0 "[ . 1 . 2]" 1
396 1 45 PRO HA 1 47 HIS H . . 4.710 4.014 3.502 4.206 . 0 0 "[ . 1 . 2]" 1
397 1 45 PRO QB 1 46 ASN H . . 3.780 3.592 3.466 3.613 . 0 0 "[ . 1 . 2]" 1
398 1 45 PRO QD 1 46 ASN H . . 3.750 2.786 2.681 2.807 . 0 0 "[ . 1 . 2]" 1
399 1 45 PRO HD2 1 46 ASN H . . 4.450 2.848 2.732 2.870 . 0 0 "[ . 1 . 2]" 1
400 1 45 PRO HD3 1 46 ASN H . . 4.450 3.949 3.889 3.961 . 0 0 "[ . 1 . 2]" 1
401 1 46 ASN H 1 46 ASN HB2 . . 3.780 3.423 2.585 3.730 . 0 0 "[ . 1 . 2]" 1
402 1 46 ASN H 1 46 ASN QB . . 3.260 2.713 2.326 2.992 . 0 0 "[ . 1 . 2]" 1
403 1 46 ASN H 1 46 ASN HB3 . . 3.780 3.013 2.414 3.710 . 0 0 "[ . 1 . 2]" 1
404 1 46 ASN H 1 47 HIS H . . 3.200 2.190 2.012 2.555 . 0 0 "[ . 1 . 2]" 1
405 1 46 ASN HB2 1 47 HIS H . . 4.610 4.010 3.122 4.512 . 0 0 "[ . 1 . 2]" 1
406 1 46 ASN HB3 1 47 HIS H . . 4.610 4.155 3.166 4.606 . 0 0 "[ . 1 . 2]" 1
407 1 47 HIS H 1 47 HIS HB2 . . 3.720 2.467 2.066 3.693 . 0 0 "[ . 1 . 2]" 1
408 1 47 HIS H 1 47 HIS QB . . 3.160 2.264 2.045 2.593 . 0 0 "[ . 1 . 2]" 1
409 1 47 HIS H 1 47 HIS HB3 . . 3.720 3.275 2.581 3.623 . 0 0 "[ . 1 . 2]" 1
410 1 47 HIS H 1 48 GLU H . . 4.710 4.594 4.505 4.637 . 0 0 "[ . 1 . 2]" 1
411 1 47 HIS HA 1 48 GLU H . . 3.000 2.435 2.389 2.446 . 0 0 "[ . 1 . 2]" 1
412 1 47 HIS QB 1 48 GLU H . . 3.780 2.519 2.319 3.168 . 0 0 "[ . 1 . 2]" 1
413 1 47 HIS HB2 1 48 GLU H . . 4.450 3.630 2.424 3.987 . 0 0 "[ . 1 . 2]" 1
414 1 47 HIS HB3 1 48 GLU H . . 4.450 2.771 2.349 3.916 . 0 0 "[ . 1 . 2]" 1
415 1 48 GLU H 1 49 LYS H . . 4.240 4.256 4.102 4.431 0.191 20 0 "[ . 1 . 2]" 1
416 1 48 GLU HA 1 49 LYS H . . 2.740 2.158 2.137 2.184 . 0 0 "[ . 1 . 2]" 1
417 1 48 GLU HA 1 49 LYS HB2 . . 5.130 4.595 4.190 4.854 . 0 0 "[ . 1 . 2]" 1
418 1 48 GLU HA 1 49 LYS HB3 . . 5.130 4.640 4.358 5.147 0.017 13 0 "[ . 1 . 2]" 1
419 1 48 GLU QB 1 49 LYS H . . 5.230 3.707 3.056 3.934 . 0 0 "[ . 1 . 2]" 1
420 1 48 GLU QG 1 49 LYS H . . 5.440 3.327 2.581 4.472 . 0 0 "[ . 1 . 2]" 1
421 1 49 LYS H 1 49 LYS HB2 . . 3.310 2.538 2.098 2.805 . 0 0 "[ . 1 . 2]" 1
422 1 49 LYS H 1 49 LYS HB3 . . 3.310 2.544 2.280 3.087 . 0 0 "[ . 1 . 2]" 1
423 1 49 LYS H 1 49 LYS HG2 . . 4.710 4.438 4.298 4.612 . 0 0 "[ . 1 . 2]" 1
424 1 49 LYS H 1 49 LYS HG3 . . 4.710 4.440 3.922 4.640 . 0 0 "[ . 1 . 2]" 1
425 1 49 LYS H 1 50 LEU H . . 5.080 4.474 4.288 4.638 . 0 0 "[ . 1 . 2]" 1
426 1 49 LYS HA 1 50 LEU H . . 3.100 2.180 2.146 2.370 . 0 0 "[ . 1 . 2]" 1
427 1 49 LYS HG2 1 50 LEU H . . 4.240 3.097 2.236 3.972 . 0 0 "[ . 1 . 2]" 1
428 1 49 LYS HG3 1 50 LEU H . . 4.240 3.667 2.823 4.215 . 0 0 "[ . 1 . 2]" 1
429 1 50 LEU H 1 50 LEU HB2 . . 3.830 2.547 2.167 3.090 . 0 0 "[ . 1 . 2]" 1
430 1 50 LEU H 1 50 LEU QB . . 3.160 2.490 2.144 2.932 . 0 0 "[ . 1 . 2]" 1
431 1 50 LEU H 1 50 LEU HB3 . . 3.830 3.599 3.409 3.831 0.001 14 0 "[ . 1 . 2]" 1
432 1 50 LEU HA 1 51 GLY H . . 3.000 2.357 2.144 3.067 0.067 20 0 "[ . 1 . 2]" 1
433 1 50 LEU QB 1 51 GLY H . . 3.480 2.909 2.125 3.636 0.156 20 0 "[ . 1 . 2]" 1
434 1 50 LEU HB2 1 51 GLY H . . 4.190 3.978 3.575 4.204 0.014 12 0 "[ . 1 . 2]" 1
435 1 50 LEU HB3 1 51 GLY H . . 4.190 3.022 2.140 4.193 0.003 20 0 "[ . 1 . 2]" 1
436 1 50 LEU QD 1 51 GLY H . . 7.220 3.197 1.991 4.417 . 0 0 "[ . 1 . 2]" 1
437 1 50 LEU QD 1 53 THR H . . 8.680 4.355 3.574 5.353 . 0 0 "[ . 1 . 2]" 1
438 1 51 GLY H 1 53 THR MG . . 5.780 4.472 2.202 5.745 . 0 0 "[ . 1 . 2]" 1
439 1 51 GLY QA 1 53 THR H . . 4.900 3.995 3.497 4.900 0.000 14 0 "[ . 1 . 2]" 1
440 1 51 GLY QA 1 53 THR MG . . 6.970 5.219 3.137 6.532 . 0 0 "[ . 1 . 2]" 1
441 1 51 GLY HA2 1 52 TYR H . . 3.310 3.032 2.139 3.512 0.202 17 0 "[ . 1 . 2]" 1
442 1 51 GLY HA3 1 52 TYR H . . 3.310 2.890 2.143 3.436 0.126 14 0 "[ . 1 . 2]" 1
443 1 52 TYR H 1 52 TYR HB2 . . 3.570 2.861 2.221 3.626 0.056 5 0 "[ . 1 . 2]" 1
444 1 52 TYR H 1 52 TYR QB . . 3.050 2.647 2.198 2.981 . 0 0 "[ . 1 . 2]" 1
445 1 52 TYR H 1 52 TYR HB3 . . 3.570 3.282 2.694 3.635 0.065 3 0 "[ . 1 . 2]" 1
446 1 52 TYR H 1 53 THR H . . 4.240 2.886 1.897 3.726 . 0 0 "[ . 1 . 2]" 1
447 1 52 TYR H 1 53 THR MG . . 6.720 4.715 3.491 5.933 . 0 0 "[ . 1 . 2]" 1
448 1 52 TYR HA 1 53 THR H . . 2.940 2.695 2.350 2.945 0.005 17 0 "[ . 1 . 2]" 1
449 1 52 TYR HA 1 53 THR MG . . 7.290 5.201 3.852 5.876 . 0 0 "[ . 1 . 2]" 1
450 1 53 THR H 1 53 THR MG . . 4.790 3.309 1.902 3.957 . 0 0 "[ . 1 . 2]" 1
451 1 53 THR H 1 54 HIS H . . 5.860 4.519 4.421 4.635 . 0 0 "[ . 1 . 2]" 1
452 1 53 THR HA 1 55 GLU H . . 3.880 3.931 3.794 4.055 0.175 14 0 "[ . 1 . 2]" 1
453 1 53 THR HA 1 56 CYS H . . 4.660 4.508 4.412 4.683 0.023 11 0 "[ . 1 . 2]" 1
454 1 53 THR MG 1 54 HIS H . . 8.020 2.723 1.912 3.981 . 0 0 "[ . 1 . 2]" 1
455 1 53 THR MG 1 54 HIS HA . . 5.310 4.600 4.143 5.323 0.013 16 0 "[ . 1 . 2]" 1
456 1 53 THR MG 1 55 GLU H . . 6.670 2.732 1.921 3.864 . 0 0 "[ . 1 . 2]" 1
457 1 53 THR MG 1 56 CYS H . . 6.720 3.515 1.857 4.772 . 0 0 "[ . 1 . 2]" 1
458 1 53 THR MG 1 57 GLU H . . 7.860 5.524 3.789 6.849 . 0 0 "[ . 1 . 2]" 1
459 1 54 HIS H 1 55 GLU H . . 4.450 2.663 2.454 2.764 . 0 0 "[ . 1 . 2]" 1
460 1 54 HIS HA 1 56 CYS H . . 4.140 3.929 3.677 4.173 0.033 20 0 "[ . 1 . 2]" 1
461 1 54 HIS HA 1 57 GLU H . . 3.930 3.891 3.461 3.982 0.052 9 0 "[ . 1 . 2]" 1
462 1 54 HIS HA 1 57 GLU QB . . 5.070 3.431 2.208 4.173 . 0 0 "[ . 1 . 2]" 1
463 1 54 HIS HA 1 57 GLU QG . . 6.270 4.020 2.409 5.997 . 0 0 "[ . 1 . 2]" 1
464 1 54 HIS QB 1 55 GLU H . . 3.190 3.063 3.007 3.496 0.306 14 0 "[ . 1 . 2]" 1
465 1 54 HIS HB2 1 55 GLU H . . 3.830 3.351 3.146 3.927 0.097 14 0 "[ . 1 . 2]" 1
466 1 54 HIS HB3 1 55 GLU H . . 3.830 3.588 3.245 3.921 0.091 14 0 "[ . 1 . 2]" 1
467 1 55 GLU H 1 55 GLU HG2 . . 4.090 2.698 2.246 3.350 . 0 0 "[ . 1 . 2]" 1
468 1 55 GLU H 1 55 GLU QG . . 3.570 2.387 2.061 2.833 . 0 0 "[ . 1 . 2]" 1
469 1 55 GLU H 1 55 GLU HG3 . . 4.090 2.847 2.163 3.765 . 0 0 "[ . 1 . 2]" 1
470 1 55 GLU H 1 56 CYS H . . 3.260 2.426 2.390 2.539 . 0 0 "[ . 1 . 2]" 1
471 1 55 GLU H 1 56 CYS HA . . 4.870 5.074 5.016 5.203 0.333 14 0 "[ . 1 . 2]" 1
472 1 55 GLU QB 1 56 CYS H . . 4.920 3.085 2.742 3.723 . 0 0 "[ . 1 . 2]" 1
473 1 55 GLU QG 1 56 CYS H . . 4.310 3.769 2.353 4.313 0.003 3 0 "[ . 1 . 2]" 1
474 1 55 GLU HG2 1 56 CYS H . . 4.920 4.302 2.537 4.877 . 0 0 "[ . 1 . 2]" 1
475 1 55 GLU HG3 1 56 CYS H . . 4.920 4.282 2.471 4.867 . 0 0 "[ . 1 . 2]" 1
476 1 56 CYS H 1 57 GLU H . . 3.460 2.634 2.453 2.876 . 0 0 "[ . 1 . 2]" 1
477 1 56 CYS H 1 59 ALA MB . . 6.870 5.062 4.839 5.405 . 0 0 "[ . 1 . 2]" 1
478 1 56 CYS HA 1 58 GLU H . . 4.300 3.580 3.228 4.153 . 0 0 "[ . 1 . 2]" 1
479 1 56 CYS HA 1 59 ALA H . . 3.930 3.310 3.128 3.634 . 0 0 "[ . 1 . 2]" 1
480 1 56 CYS HA 1 59 ALA MB . . 5.890 3.235 2.817 4.017 . 0 0 "[ . 1 . 2]" 1
481 1 56 CYS HA 1 60 ILE H . . 5.390 5.397 5.247 5.451 0.061 11 0 "[ . 1 . 2]" 1
482 1 56 CYS QB 1 57 GLU H . . 4.860 3.638 3.143 3.860 . 0 0 "[ . 1 . 2]" 1
483 1 56 CYS QB 1 59 ALA H . . 7.000 3.808 3.157 4.716 . 0 0 "[ . 1 . 2]" 1
484 1 57 GLU H 1 57 GLU QG . . 4.970 3.713 3.224 4.047 . 0 0 "[ . 1 . 2]" 1
485 1 57 GLU H 1 58 GLU H . . 3.310 2.750 2.498 2.862 . 0 0 "[ . 1 . 2]" 1
486 1 57 GLU H 1 59 ALA H . . 4.500 4.121 3.783 4.415 . 0 0 "[ . 1 . 2]" 1
487 1 57 GLU H 1 60 ILE MD . . 6.980 5.096 4.259 5.887 . 0 0 "[ . 1 . 2]" 1
488 1 57 GLU HA 1 60 ILE H . . 4.140 3.612 3.265 3.888 . 0 0 "[ . 1 . 2]" 1
489 1 57 GLU HA 1 60 ILE HB . . 4.450 4.102 3.355 4.467 0.017 13 0 "[ . 1 . 2]" 1
490 1 57 GLU QG 1 58 GLU H . . 5.440 4.192 3.601 4.541 . 0 0 "[ . 1 . 2]" 1
491 1 57 GLU QG 1 61 LYS H . . 7.360 5.713 4.607 6.904 . 0 0 "[ . 1 . 2]" 1
492 1 58 GLU H 1 59 ALA H . . 3.200 2.604 2.384 2.746 . 0 0 "[ . 1 . 2]" 1
493 1 58 GLU H 1 59 ALA MB . . 6.200 4.251 4.075 4.425 . 0 0 "[ . 1 . 2]" 1
494 1 58 GLU H 1 60 ILE H . . 4.870 4.192 4.027 4.359 . 0 0 "[ . 1 . 2]" 1
495 1 58 GLU HA 1 61 LYS H . . 3.720 3.658 3.541 3.748 0.028 20 0 "[ . 1 . 2]" 1
496 1 58 GLU HA 1 62 ASN H . . 4.610 4.470 4.044 4.634 0.024 5 0 "[ . 1 . 2]" 1
497 1 59 ALA H 1 60 ILE H . . 3.570 2.647 2.528 2.704 . 0 0 "[ . 1 . 2]" 1
498 1 59 ALA H 1 60 ILE HA . . 5.230 5.210 5.120 5.246 0.016 5 0 "[ . 1 . 2]" 1
499 1 59 ALA HA 1 62 ASN HB2 . . 4.970 2.490 1.992 3.647 . 0 0 "[ . 1 . 2]" 1
500 1 59 ALA HA 1 62 ASN QB . . 4.150 2.140 1.959 2.463 . 0 0 "[ . 1 . 2]" 1
501 1 59 ALA HA 1 62 ASN HB3 . . 4.970 2.670 2.017 3.429 . 0 0 "[ . 1 . 2]" 1
502 1 59 ALA MB 1 60 ILE H . . 5.310 2.811 2.660 2.982 . 0 0 "[ . 1 . 2]" 1
503 1 60 ILE H 1 60 ILE QG . . 3.570 1.987 1.935 2.058 . 0 0 "[ . 1 . 2]" 1
504 1 60 ILE H 1 61 LYS H . . 3.410 2.825 2.705 2.874 . 0 0 "[ . 1 . 2]" 1
505 1 60 ILE H 1 62 ASN H . . 4.820 3.963 3.755 4.044 . 0 0 "[ . 1 . 2]" 1
506 1 60 ILE HA 1 62 ASN H . . 4.870 4.566 4.083 4.836 . 0 0 "[ . 1 . 2]" 1
507 1 60 ILE HA 1 63 ALA H . . 4.240 3.932 3.582 4.117 . 0 0 "[ . 1 . 2]" 1
508 1 60 ILE HA 1 63 ALA MB . . 5.730 3.318 2.746 3.608 . 0 0 "[ . 1 . 2]" 1
509 1 60 ILE MG 1 61 LYS HA . . 6.350 3.520 3.319 3.712 . 0 0 "[ . 1 . 2]" 1
510 1 60 ILE MG 1 62 ASN H . . 7.290 5.014 4.679 5.127 . 0 0 "[ . 1 . 2]" 1
511 1 61 LYS H 1 61 LYS QE . . 6.790 4.116 3.455 4.678 . 0 0 "[ . 1 . 2]" 1
512 1 61 LYS H 1 61 LYS HG2 . . 4.040 2.068 1.943 3.181 . 0 0 "[ . 1 . 2]" 1
513 1 61 LYS H 1 61 LYS QG . . 3.380 2.001 1.913 2.476 . 0 0 "[ . 1 . 2]" 1
514 1 61 LYS H 1 61 LYS HG3 . . 4.040 2.936 2.582 3.255 . 0 0 "[ . 1 . 2]" 1
515 1 61 LYS H 1 62 ASN H . . 3.360 2.413 2.330 2.671 . 0 0 "[ . 1 . 2]" 1
516 1 61 LYS H 1 62 ASN HA . . 5.340 5.048 4.962 5.281 . 0 0 "[ . 1 . 2]" 1
517 1 61 LYS H 1 62 ASN QB . . 5.190 4.122 3.996 4.431 . 0 0 "[ . 1 . 2]" 1
518 1 61 LYS H 1 65 ARG HE . . 5.080 4.849 4.447 5.075 . 0 0 "[ . 1 . 2]" 1
519 1 61 LYS HA 1 63 ALA H . . 4.610 4.052 3.815 4.614 0.004 12 0 "[ . 1 . 2]" 1
520 1 61 LYS QB 1 62 ASN H . . 4.760 3.464 3.374 3.622 . 0 0 "[ . 1 . 2]" 1
521 1 61 LYS QB 1 63 ALA H . . 6.010 4.957 4.768 5.293 . 0 0 "[ . 1 . 2]" 1
522 1 61 LYS QG 1 63 ALA H . . 4.460 4.384 4.225 4.488 0.028 12 0 "[ . 1 . 2]" 1
523 1 62 ASN H 1 62 ASN HB2 . . 3.620 2.212 2.066 2.655 . 0 0 "[ . 1 . 2]" 1
524 1 62 ASN H 1 62 ASN QB . . 2.970 2.127 2.046 2.256 . 0 0 "[ . 1 . 2]" 1
525 1 62 ASN H 1 62 ASN HB3 . . 3.620 3.027 2.426 3.510 . 0 0 "[ . 1 . 2]" 1
526 1 62 ASN QB 1 62 ASN QD . . 3.090 2.204 2.063 2.489 . 0 0 "[ . 1 . 2]" 1
527 1 62 ASN QB 1 63 ALA H . . 3.920 2.832 2.400 3.024 . 0 0 "[ . 1 . 2]" 1
528 1 62 ASN HB2 1 63 ALA H . . 4.610 3.568 3.161 4.152 . 0 0 "[ . 1 . 2]" 1
529 1 62 ASN HB3 1 63 ALA H . . 4.610 3.033 2.439 3.674 . 0 0 "[ . 1 . 2]" 1
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