NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441591 |
2kb9   |
16857 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kb9
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 487
_Distance_constraint_stats_list.Viol_count 121
_Distance_constraint_stats_list.Viol_total 4.194
_Distance_constraint_stats_list.Viol_max 0.040
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0017
_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 TYR 0.001 0.001 12 0 "[ . 1 . 2]"
1 5 GLY 0.003 0.001 5 0 "[ . 1 . 2]"
1 6 TRP 0.015 0.003 16 0 "[ . 1 . 2]"
1 7 GLN 0.012 0.003 16 0 "[ . 1 . 2]"
1 8 GLY 0.001 0.001 12 0 "[ . 1 . 2]"
1 9 LEU 0.001 0.001 12 0 "[ . 1 . 2]"
1 10 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.001 0.001 14 0 "[ . 1 . 2]"
1 12 ASP 0.002 0.001 14 0 "[ . 1 . 2]"
1 13 LYS 0.001 0.001 13 0 "[ . 1 . 2]"
1 14 CYS 0.025 0.004 4 0 "[ . 1 . 2]"
1 15 ILE 0.028 0.003 15 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 HIS 0.010 0.006 10 0 "[ . 1 . 2]"
1 18 PRO 0.005 0.004 10 0 "[ . 1 . 2]"
1 19 GLY 0.010 0.006 10 0 "[ . 1 . 2]"
1 20 CYS 0.030 0.006 14 0 "[ . 1 . 2]"
1 21 VAL 0.004 0.002 16 0 "[ . 1 . 2]"
1 22 HIS 0.005 0.002 14 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.007 0.002 16 0 "[ . 1 . 2]"
1 25 CYS 0.002 0.002 20 0 "[ . 1 . 2]"
1 26 ASN 0.001 0.001 2 0 "[ . 1 . 2]"
1 27 GLU 0.024 0.004 4 0 "[ . 1 . 2]"
1 28 PRO 0.008 0.003 16 0 "[ . 1 . 2]"
1 29 TRP 0.019 0.003 15 0 "[ . 1 . 2]"
1 30 GLN 0.002 0.002 20 0 "[ . 1 . 2]"
1 31 CYS 0.007 0.001 3 0 "[ . 1 . 2]"
1 32 LEU 0.009 0.002 16 0 "[ . 1 . 2]"
1 33 CYS 0.007 0.004 14 0 "[ . 1 . 2]"
1 34 GLU 0.002 0.001 7 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.002 0.002 16 0 "[ . 1 . 2]"
1 37 TRP 0.007 0.002 16 0 "[ . 1 . 2]"
1 38 GLY 0.008 0.003 7 0 "[ . 1 . 2]"
1 39 GLY 0.009 0.003 7 0 "[ . 1 . 2]"
1 40 GLN 0.043 0.040 19 0 "[ . 1 . 2]"
1 41 LEU 0.015 0.005 18 0 "[ . 1 . 2]"
1 42 CYS 0.013 0.004 14 0 "[ . 1 . 2]"
1 43 ASP 0.008 0.002 14 0 "[ . 1 . 2]"
1 44 LYS 0.003 0.002 6 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 TYR H 1 4 TYR HB2 . . 3.820 2.831 2.221 3.561 . 0 0 "[ . 1 . 2]" 1
2 1 4 TYR H 1 4 TYR QB . . 3.040 2.529 2.163 2.958 . 0 0 "[ . 1 . 2]" 1
3 1 4 TYR H 1 4 TYR HB3 . . 3.820 2.969 2.371 3.790 . 0 0 "[ . 1 . 2]" 1
4 1 4 TYR HA 1 4 TYR QD . . 2.970 2.504 2.005 2.895 . 0 0 "[ . 1 . 2]" 1
5 1 4 TYR HA 1 4 TYR QE . . 4.820 4.411 4.263 4.501 . 0 0 "[ . 1 . 2]" 1
6 1 4 TYR HA 1 5 GLY H . . 3.490 2.170 2.142 2.236 . 0 0 "[ . 1 . 2]" 1
7 1 4 TYR HA 1 6 TRP H . . 4.410 3.659 3.350 3.853 . 0 0 "[ . 1 . 2]" 1
8 1 4 TYR HA 1 29 TRP HZ2 . . 4.910 4.454 2.981 4.896 . 0 0 "[ . 1 . 2]" 1
9 1 4 TYR QB 1 5 GLY H . . 4.240 3.804 3.516 4.016 . 0 0 "[ . 1 . 2]" 1
10 1 4 TYR QD 1 5 GLY H . . 3.440 3.030 2.588 3.433 . 0 0 "[ . 1 . 2]" 1
11 1 4 TYR QD 1 5 GLY HA2 . . 4.570 4.220 3.540 4.571 0.001 12 0 "[ . 1 . 2]" 1
12 1 4 TYR QD 1 29 TRP HE1 . . 4.030 3.302 2.117 4.011 . 0 0 "[ . 1 . 2]" 1
13 1 4 TYR QD 1 29 TRP HZ2 . . 4.220 3.135 2.084 3.733 . 0 0 "[ . 1 . 2]" 1
14 1 4 TYR QE 1 29 TRP HE1 . . 4.060 3.155 2.043 3.925 . 0 0 "[ . 1 . 2]" 1
15 1 4 TYR QE 1 29 TRP HZ2 . . 4.090 3.152 2.413 4.089 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLY H 1 6 TRP H . . 3.460 2.485 2.001 2.722 . 0 0 "[ . 1 . 2]" 1
17 1 5 GLY H 1 15 ILE MD . . 4.150 3.527 2.560 3.977 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLY H 1 29 TRP HZ2 . . 3.910 3.125 2.100 3.665 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLY HA2 1 15 ILE HB . . 5.150 5.009 4.718 5.151 0.001 5 0 "[ . 1 . 2]" 1
20 1 5 GLY HA2 1 15 ILE MD . . 4.020 2.929 2.454 3.554 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLY HA2 1 15 ILE QG . . 4.880 3.581 3.269 3.994 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLY HA2 1 28 PRO HB3 . . 4.690 4.521 3.591 4.690 0.000 20 0 "[ . 1 . 2]" 1
23 1 5 GLY HA2 1 29 TRP HE1 . . 5.020 4.144 3.501 4.361 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLY HA2 1 29 TRP HZ2 . . 3.740 2.763 2.619 3.060 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLY HA3 1 6 TRP HD1 . . 5.090 4.521 4.236 4.919 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLY HA3 1 15 ILE MD . . 4.970 4.417 4.051 4.855 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLY HA3 1 15 ILE QG . . 5.500 4.860 4.578 5.227 . 0 0 "[ . 1 . 2]" 1
28 1 5 GLY HA3 1 28 PRO HB2 . . 4.660 3.378 2.695 4.179 . 0 0 "[ . 1 . 2]" 1
29 1 5 GLY HA3 1 28 PRO HB3 . . 3.860 3.134 2.406 3.860 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLY HA3 1 29 TRP HE1 . . 4.520 3.734 3.439 4.068 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLY HA3 1 29 TRP HZ2 . . 4.130 3.519 3.195 4.067 . 0 0 "[ . 1 . 2]" 1
32 1 6 TRP H 1 6 TRP QB . . 3.570 2.754 2.575 2.846 . 0 0 "[ . 1 . 2]" 1
33 1 6 TRP H 1 6 TRP HD1 . . 4.550 4.072 3.515 4.537 . 0 0 "[ . 1 . 2]" 1
34 1 6 TRP H 1 15 ILE MD . . 4.450 3.807 3.513 4.219 . 0 0 "[ . 1 . 2]" 1
35 1 6 TRP HA 1 6 TRP HD1 . . 4.610 4.523 4.461 4.596 . 0 0 "[ . 1 . 2]" 1
36 1 6 TRP HA 1 6 TRP HE3 . . 3.520 2.330 2.094 2.595 . 0 0 "[ . 1 . 2]" 1
37 1 6 TRP HA 1 7 GLN H . . 3.130 2.227 2.144 2.490 . 0 0 "[ . 1 . 2]" 1
38 1 6 TRP HA 1 14 CYS HA . . 3.410 3.094 2.774 3.411 0.001 5 0 "[ . 1 . 2]" 1
39 1 6 TRP HA 1 15 ILE MD . . 4.740 4.405 3.963 4.689 . 0 0 "[ . 1 . 2]" 1
40 1 6 TRP HA 1 15 ILE QG . . 4.240 3.849 3.575 4.046 . 0 0 "[ . 1 . 2]" 1
41 1 6 TRP QB 1 6 TRP HD1 . . 3.570 2.504 2.495 2.526 . 0 0 "[ . 1 . 2]" 1
42 1 6 TRP QB 1 6 TRP HE3 . . 3.300 2.873 2.749 2.992 . 0 0 "[ . 1 . 2]" 1
43 1 6 TRP QB 1 7 GLN H . . 4.030 3.623 3.101 3.907 . 0 0 "[ . 1 . 2]" 1
44 1 6 TRP QB 1 7 GLN HA . . 4.540 4.332 4.089 4.543 0.003 12 0 "[ . 1 . 2]" 1
45 1 6 TRP QB 1 11 CYS HA . . 4.340 2.952 2.324 3.867 . 0 0 "[ . 1 . 2]" 1
46 1 6 TRP HE1 1 28 PRO HD2 . . 5.420 5.136 4.640 5.421 0.001 14 0 "[ . 1 . 2]" 1
47 1 6 TRP HE1 1 28 PRO HD3 . . 4.200 3.497 2.987 3.832 . 0 0 "[ . 1 . 2]" 1
48 1 6 TRP HE1 1 28 PRO QG . . 3.980 3.462 3.100 3.817 . 0 0 "[ . 1 . 2]" 1
49 1 6 TRP HE3 1 12 ASP HA . . 3.930 3.863 3.732 3.931 0.001 4 0 "[ . 1 . 2]" 1
50 1 6 TRP HE3 1 13 LYS HA . . 4.360 4.061 3.851 4.361 0.001 13 0 "[ . 1 . 2]" 1
51 1 6 TRP HE3 1 13 LYS QB . . 5.500 4.368 4.072 4.789 . 0 0 "[ . 1 . 2]" 1
52 1 6 TRP HE3 1 14 CYS HA . . 3.660 3.208 2.952 3.451 . 0 0 "[ . 1 . 2]" 1
53 1 6 TRP HE3 1 14 CYS HB2 . . 5.200 4.932 4.641 5.200 0.000 15 0 "[ . 1 . 2]" 1
54 1 6 TRP HE3 1 14 CYS HB3 . . 5.500 4.010 3.652 4.289 . 0 0 "[ . 1 . 2]" 1
55 1 6 TRP HH2 1 14 CYS HB2 . . 4.770 4.446 4.128 4.770 0.000 5 0 "[ . 1 . 2]" 1
56 1 6 TRP HH2 1 14 CYS HB3 . . 3.960 3.107 2.833 3.532 . 0 0 "[ . 1 . 2]" 1
57 1 6 TRP HH2 1 27 GLU HA . . 3.950 3.005 2.478 3.279 . 0 0 "[ . 1 . 2]" 1
58 1 6 TRP HH2 1 28 PRO HA . . 4.410 4.236 3.896 4.413 0.003 16 0 "[ . 1 . 2]" 1
59 1 6 TRP HH2 1 28 PRO HD2 . . 5.350 4.935 4.539 5.247 . 0 0 "[ . 1 . 2]" 1
60 1 6 TRP HH2 1 28 PRO HD3 . . 4.140 3.796 3.382 4.125 . 0 0 "[ . 1 . 2]" 1
61 1 6 TRP HZ2 1 27 GLU HA . . 3.740 2.819 2.188 3.238 . 0 0 "[ . 1 . 2]" 1
62 1 6 TRP HZ2 1 27 GLU QB . . 5.300 4.728 4.242 5.006 . 0 0 "[ . 1 . 2]" 1
63 1 6 TRP HZ2 1 27 GLU HG2 . . 4.730 4.464 4.149 4.711 . 0 0 "[ . 1 . 2]" 1
64 1 6 TRP HZ2 1 27 GLU HG3 . . 5.320 5.126 4.389 5.309 . 0 0 "[ . 1 . 2]" 1
65 1 6 TRP HZ2 1 28 PRO HD2 . . 3.740 3.691 3.459 3.742 0.002 5 0 "[ . 1 . 2]" 1
66 1 6 TRP HZ2 1 28 PRO HD3 . . 3.340 2.033 1.999 2.126 . 0 0 "[ . 1 . 2]" 1
67 1 6 TRP HZ2 1 28 PRO QG . . 4.690 3.680 3.421 3.878 . 0 0 "[ . 1 . 2]" 1
68 1 6 TRP HZ3 1 12 ASP HA . . 4.340 3.906 3.354 4.330 . 0 0 "[ . 1 . 2]" 1
69 1 6 TRP HZ3 1 13 LYS HA . . 4.210 3.380 2.936 3.623 . 0 0 "[ . 1 . 2]" 1
70 1 6 TRP HZ3 1 14 CYS HA . . 4.620 3.614 3.253 3.817 . 0 0 "[ . 1 . 2]" 1
71 1 6 TRP HZ3 1 14 CYS HB2 . . 4.790 4.269 3.852 4.515 . 0 0 "[ . 1 . 2]" 1
72 1 6 TRP HZ3 1 14 CYS HB3 . . 5.150 2.683 2.288 2.947 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLN H 1 7 GLN QB . . 3.790 2.658 2.085 3.033 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLN H 1 7 GLN QG . . 3.220 2.440 2.090 3.219 . 0 0 "[ . 1 . 2]" 1
75 1 7 GLN H 1 11 CYS HA . . 5.420 4.367 2.910 4.935 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLN H 1 14 CYS HA . . 4.630 4.016 3.547 4.618 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLN H 1 15 ILE QG . . 4.360 3.125 2.755 3.648 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLN HA 1 7 GLN HG2 . . 3.930 3.483 2.204 3.822 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLN HA 1 7 GLN HG3 . . 3.930 3.517 2.759 3.728 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLN HA 1 8 GLY H . . 3.100 2.661 2.463 2.718 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLN HA 1 11 CYS HA . . 4.610 4.418 3.489 4.610 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLN HA 1 15 ILE MD . . 4.900 4.699 3.672 4.903 0.003 14 0 "[ . 1 . 2]" 1
83 1 7 GLN HA 1 15 ILE QG . . 5.240 4.886 4.177 5.238 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLN QB 1 8 GLY H . . 3.350 2.078 1.954 2.455 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLN QB 1 15 ILE MD . . 3.910 3.060 2.670 3.910 0.000 12 0 "[ . 1 . 2]" 1
86 1 7 GLN QB 1 15 ILE QG . . 3.860 3.217 2.163 3.861 0.001 14 0 "[ . 1 . 2]" 1
87 1 7 GLN QE 1 7 GLN QG . . 3.010 2.306 2.088 2.562 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLN QE 1 15 ILE MG . . 4.600 2.778 2.056 3.758 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLN HE21 1 15 ILE QG . . 4.570 3.332 2.387 4.460 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLN HE21 1 15 ILE MG . . 5.240 3.348 2.489 4.774 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLN HE22 1 15 ILE QG . . 4.570 3.956 3.229 4.565 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLN HE22 1 15 ILE MG . . 5.240 3.071 2.106 4.329 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLN QG 1 8 GLY H . . 2.920 2.737 2.527 2.919 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLN QG 1 15 ILE HA . . 4.790 4.030 3.335 4.790 0.000 12 0 "[ . 1 . 2]" 1
95 1 7 GLN QG 1 15 ILE MD . . 3.980 2.782 2.018 3.416 . 0 0 "[ . 1 . 2]" 1
96 1 7 GLN QG 1 15 ILE QG . . 3.070 2.121 1.963 2.609 . 0 0 "[ . 1 . 2]" 1
97 1 7 GLN HG2 1 15 ILE MD . . 4.680 3.085 2.032 4.070 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLN HG3 1 15 ILE MD . . 4.680 3.819 2.078 4.683 0.003 16 0 "[ . 1 . 2]" 1
99 1 8 GLY H 1 9 LEU H . . 4.600 4.239 2.161 4.574 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLY QA 1 9 LEU H . . 2.800 2.268 2.109 2.801 0.001 12 0 "[ . 1 . 2]" 1
101 1 9 LEU H 1 9 LEU HB2 . . 3.370 2.402 2.049 3.122 . 0 0 "[ . 1 . 2]" 1
102 1 9 LEU H 1 9 LEU QB . . 2.750 2.186 2.025 2.532 . 0 0 "[ . 1 . 2]" 1
103 1 9 LEU H 1 9 LEU HB3 . . 3.370 2.773 2.310 3.283 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU H 1 9 LEU MD1 . . 4.570 3.961 2.989 4.289 . 0 0 "[ . 1 . 2]" 1
105 1 9 LEU H 1 9 LEU QD . . 3.940 3.484 2.888 3.929 . 0 0 "[ . 1 . 2]" 1
106 1 9 LEU H 1 9 LEU MD2 . . 4.570 4.049 2.945 4.559 . 0 0 "[ . 1 . 2]" 1
107 1 9 LEU H 1 9 LEU HG . . 4.560 4.451 4.337 4.552 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU H 1 10 TYR H . . 4.430 2.735 2.149 4.348 . 0 0 "[ . 1 . 2]" 1
109 1 9 LEU HA 1 9 LEU MD1 . . 3.990 2.266 2.016 2.622 . 0 0 "[ . 1 . 2]" 1
110 1 9 LEU HA 1 9 LEU QD . . 3.090 2.182 1.881 2.575 . 0 0 "[ . 1 . 2]" 1
111 1 9 LEU HA 1 9 LEU MD2 . . 3.990 3.511 2.014 3.942 . 0 0 "[ . 1 . 2]" 1
112 1 9 LEU HA 1 9 LEU HG . . 4.130 3.053 2.432 3.647 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU QB 1 10 TYR QD . . 4.140 2.695 1.995 3.773 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU QB 1 10 TYR QE . . 4.420 4.062 3.471 4.399 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU QD 1 10 TYR QD . . 3.980 2.610 2.042 3.513 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU QD 1 10 TYR QE . . 3.460 2.462 1.995 3.202 . 0 0 "[ . 1 . 2]" 1
117 1 9 LEU MD1 1 10 TYR QD . . 4.680 3.867 2.046 4.628 . 0 0 "[ . 1 . 2]" 1
118 1 9 LEU MD1 1 10 TYR QE . . 4.830 3.870 2.094 4.829 . 0 0 "[ . 1 . 2]" 1
119 1 9 LEU MD2 1 10 TYR QD . . 4.680 3.090 2.112 4.582 . 0 0 "[ . 1 . 2]" 1
120 1 9 LEU MD2 1 10 TYR QE . . 4.830 2.986 1.997 4.822 . 0 0 "[ . 1 . 2]" 1
121 1 9 LEU HG 1 10 TYR QD . . 4.000 3.108 2.080 3.941 . 0 0 "[ . 1 . 2]" 1
122 1 9 LEU HG 1 10 TYR QE . . 4.520 3.426 2.630 4.518 . 0 0 "[ . 1 . 2]" 1
123 1 10 TYR H 1 11 CYS H . . 4.680 2.661 1.901 4.394 . 0 0 "[ . 1 . 2]" 1
124 1 10 TYR HA 1 10 TYR QD . . 3.870 2.766 2.225 3.064 . 0 0 "[ . 1 . 2]" 1
125 1 11 CYS H 1 11 CYS QB . . 3.560 3.051 2.279 3.407 . 0 0 "[ . 1 . 2]" 1
126 1 11 CYS H 1 12 ASP H . . 4.240 3.343 2.614 4.241 0.001 14 0 "[ . 1 . 2]" 1
127 1 12 ASP H 1 13 LYS H . . 3.320 2.117 1.899 3.136 . 0 0 "[ . 1 . 2]" 1
128 1 13 LYS H 1 13 LYS QB . . 3.230 2.432 2.112 2.891 . 0 0 "[ . 1 . 2]" 1
129 1 13 LYS H 1 13 LYS QG . . 3.940 3.451 2.740 3.939 . 0 0 "[ . 1 . 2]" 1
130 1 13 LYS HA 1 13 LYS QD . . 4.060 3.789 3.338 4.029 . 0 0 "[ . 1 . 2]" 1
131 1 13 LYS HA 1 13 LYS QG . . 3.580 2.196 2.046 2.366 . 0 0 "[ . 1 . 2]" 1
132 1 13 LYS HA 1 14 CYS H . . 2.700 2.191 2.144 2.342 . 0 0 "[ . 1 . 2]" 1
133 1 13 LYS HA 1 14 CYS HB3 . . 4.440 4.376 4.295 4.439 . 0 0 "[ . 1 . 2]" 1
134 1 13 LYS HA 1 15 ILE H . . 4.100 3.803 3.656 4.058 . 0 0 "[ . 1 . 2]" 1
135 1 13 LYS QB 1 14 CYS H . . 3.650 3.150 2.691 3.514 . 0 0 "[ . 1 . 2]" 1
136 1 13 LYS QB 1 15 ILE HA . . 3.970 3.654 3.504 3.908 . 0 0 "[ . 1 . 2]" 1
137 1 13 LYS QB 1 16 PRO QD . . 4.020 3.111 2.677 3.617 . 0 0 "[ . 1 . 2]" 1
138 1 13 LYS QG 1 14 CYS H . . 4.290 3.550 3.165 4.082 . 0 0 "[ . 1 . 2]" 1
139 1 14 CYS H 1 14 CYS HB2 . . 3.860 3.691 3.675 3.738 . 0 0 "[ . 1 . 2]" 1
140 1 14 CYS HA 1 15 ILE H . . 3.160 2.972 2.938 2.988 . 0 0 "[ . 1 . 2]" 1
141 1 14 CYS HA 1 15 ILE MD . . 4.940 4.391 4.371 4.418 . 0 0 "[ . 1 . 2]" 1
142 1 14 CYS HA 1 15 ILE QG . . 3.440 2.956 2.940 2.970 . 0 0 "[ . 1 . 2]" 1
143 1 14 CYS HA 1 29 TRP H . . 5.430 3.953 3.803 4.120 . 0 0 "[ . 1 . 2]" 1
144 1 14 CYS HB2 1 15 ILE H . . 5.180 4.516 4.496 4.520 . 0 0 "[ . 1 . 2]" 1
145 1 14 CYS HB2 1 27 GLU HA . . 5.420 5.414 5.359 5.424 0.004 4 0 "[ . 1 . 2]" 1
146 1 14 CYS HB2 1 28 PRO HA . . 4.180 2.069 1.999 2.407 . 0 0 "[ . 1 . 2]" 1
147 1 14 CYS HB3 1 25 CYS HB2 . . 4.500 4.154 4.077 4.276 . 0 0 "[ . 1 . 2]" 1
148 1 14 CYS HB3 1 25 CYS HB3 . . 5.470 5.054 5.001 5.111 . 0 0 "[ . 1 . 2]" 1
149 1 14 CYS HB3 1 27 GLU H . . 4.800 4.536 3.621 4.801 0.001 20 0 "[ . 1 . 2]" 1
150 1 14 CYS HB3 1 27 GLU HA . . 5.430 4.822 4.680 4.914 . 0 0 "[ . 1 . 2]" 1
151 1 14 CYS HB3 1 28 PRO HA . . 3.660 2.994 2.859 3.323 . 0 0 "[ . 1 . 2]" 1
152 1 14 CYS HB3 1 29 TRP H . . 4.740 3.703 3.580 3.850 . 0 0 "[ . 1 . 2]" 1
153 1 15 ILE H 1 15 ILE HB . . 3.890 3.779 3.775 3.785 . 0 0 "[ . 1 . 2]" 1
154 1 15 ILE H 1 15 ILE MD . . 4.700 4.201 4.191 4.219 . 0 0 "[ . 1 . 2]" 1
155 1 15 ILE H 1 15 ILE QG . . 3.450 2.535 2.525 2.556 . 0 0 "[ . 1 . 2]" 1
156 1 15 ILE HA 1 15 ILE MD . . 4.080 3.902 3.897 3.905 . 0 0 "[ . 1 . 2]" 1
157 1 15 ILE HA 1 15 ILE QG . . 3.140 2.663 2.658 2.668 . 0 0 "[ . 1 . 2]" 1
158 1 15 ILE HA 1 16 PRO QD . . 2.950 1.990 1.989 1.994 . 0 0 "[ . 1 . 2]" 1
159 1 15 ILE HA 1 16 PRO HG3 . . 5.270 4.607 4.605 4.612 . 0 0 "[ . 1 . 2]" 1
160 1 15 ILE HA 1 18 PRO QG . . 4.520 4.374 4.362 4.382 . 0 0 "[ . 1 . 2]" 1
161 1 15 ILE HB 1 18 PRO QD . . 5.230 3.027 3.015 3.046 . 0 0 "[ . 1 . 2]" 1
162 1 15 ILE HB 1 18 PRO QG . . 4.390 2.522 2.501 2.547 . 0 0 "[ . 1 . 2]" 1
163 1 15 ILE HB 1 29 TRP HZ3 . . 4.490 2.038 1.999 2.157 . 0 0 "[ . 1 . 2]" 1
164 1 15 ILE MD 1 18 PRO QD . . 5.480 4.097 4.065 4.146 . 0 0 "[ . 1 . 2]" 1
165 1 15 ILE MD 1 29 TRP HH2 . . 4.050 2.036 1.934 2.196 . 0 0 "[ . 1 . 2]" 1
166 1 15 ILE MD 1 29 TRP HZ2 . . 4.720 3.806 3.654 3.953 . 0 0 "[ . 1 . 2]" 1
167 1 15 ILE MD 1 29 TRP HZ3 . . 4.640 2.436 2.184 2.694 . 0 0 "[ . 1 . 2]" 1
168 1 15 ILE QG 1 18 PRO QD . . 5.500 4.412 4.409 4.420 . 0 0 "[ . 1 . 2]" 1
169 1 15 ILE QG 1 18 PRO QG . . 4.730 4.178 4.161 4.198 . 0 0 "[ . 1 . 2]" 1
170 1 15 ILE QG 1 29 TRP HE3 . . 4.950 4.669 4.510 4.760 . 0 0 "[ . 1 . 2]" 1
171 1 15 ILE QG 1 29 TRP HH2 . . 4.740 3.730 3.594 3.842 . 0 0 "[ . 1 . 2]" 1
172 1 15 ILE QG 1 29 TRP HZ2 . . 5.350 5.265 5.094 5.353 0.003 16 0 "[ . 1 . 2]" 1
173 1 15 ILE QG 1 29 TRP HZ3 . . 3.320 3.317 3.291 3.323 0.003 15 0 "[ . 1 . 2]" 1
174 1 15 ILE MG 1 18 PRO QD . . 5.390 1.891 1.890 1.893 . 0 0 "[ . 1 . 2]" 1
175 1 15 ILE MG 1 18 PRO QG . . 3.770 1.920 1.919 1.921 . 0 0 "[ . 1 . 2]" 1
176 1 16 PRO QB 1 17 HIS HD2 . . 4.390 4.336 4.300 4.373 . 0 0 "[ . 1 . 2]" 1
177 1 16 PRO QB 1 20 CYS HA . . 5.500 5.325 5.117 5.461 . 0 0 "[ . 1 . 2]" 1
178 1 16 PRO QB 1 20 CYS HB2 . . 5.060 3.408 2.598 3.883 . 0 0 "[ . 1 . 2]" 1
179 1 16 PRO QB 1 20 CYS QB . . 4.250 2.758 2.473 2.929 . 0 0 "[ . 1 . 2]" 1
180 1 16 PRO QB 1 20 CYS HB3 . . 5.060 3.032 2.505 3.715 . 0 0 "[ . 1 . 2]" 1
181 1 16 PRO QB 1 25 CYS HB2 . . 5.500 5.383 5.137 5.500 . 0 0 "[ . 1 . 2]" 1
182 1 16 PRO HG2 1 17 HIS HD2 . . 3.460 3.282 3.133 3.431 . 0 0 "[ . 1 . 2]" 1
183 1 16 PRO HG3 1 20 CYS QB . . 5.340 5.195 4.998 5.327 . 0 0 "[ . 1 . 2]" 1
184 1 17 HIS HA 1 19 GLY H . . 4.630 4.620 4.513 4.636 0.006 10 0 "[ . 1 . 2]" 1
185 1 17 HIS QB 1 18 PRO QB . . 4.870 3.874 3.868 3.879 . 0 0 "[ . 1 . 2]" 1
186 1 17 HIS QB 1 18 PRO QG . . 3.800 3.565 3.563 3.567 . 0 0 "[ . 1 . 2]" 1
187 1 18 PRO HA 1 19 GLY H . . 3.240 2.382 2.377 2.420 . 0 0 "[ . 1 . 2]" 1
188 1 18 PRO HA 1 20 CYS H . . 4.780 4.123 3.986 4.784 0.004 10 0 "[ . 1 . 2]" 1
189 1 18 PRO QG 1 29 TRP HE3 . . 4.770 3.415 3.192 3.746 . 0 0 "[ . 1 . 2]" 1
190 1 18 PRO QG 1 29 TRP HZ3 . . 4.740 2.493 2.409 2.673 . 0 0 "[ . 1 . 2]" 1
191 1 18 PRO HG2 1 29 TRP HE3 . . 5.500 3.502 3.268 3.854 . 0 0 "[ . 1 . 2]" 1
192 1 18 PRO HG3 1 29 TRP HE3 . . 5.500 4.732 4.426 5.096 . 0 0 "[ . 1 . 2]" 1
193 1 19 GLY H 1 20 CYS H . . 4.270 2.170 1.899 3.079 . 0 0 "[ . 1 . 2]" 1
194 1 19 GLY QA 1 41 LEU MD2 . . 5.340 3.046 2.031 3.674 . 0 0 "[ . 1 . 2]" 1
195 1 20 CYS H 1 20 CYS HB2 . . 3.680 2.912 2.236 3.270 . 0 0 "[ . 1 . 2]" 1
196 1 20 CYS H 1 20 CYS QB . . 3.110 2.778 2.206 2.984 . 0 0 "[ . 1 . 2]" 1
197 1 20 CYS H 1 20 CYS HB3 . . 3.680 3.609 3.379 3.686 0.006 14 0 "[ . 1 . 2]" 1
198 1 20 CYS H 1 21 VAL H . . 4.920 4.374 4.320 4.470 . 0 0 "[ . 1 . 2]" 1
199 1 20 CYS H 1 41 LEU HB3 . . 5.220 4.416 3.131 4.985 . 0 0 "[ . 1 . 2]" 1
200 1 20 CYS H 1 41 LEU MD1 . . 5.430 4.912 3.652 5.432 0.002 9 0 "[ . 1 . 2]" 1
201 1 20 CYS H 1 41 LEU MD2 . . 4.360 4.011 3.398 4.355 . 0 0 "[ . 1 . 2]" 1
202 1 20 CYS HA 1 21 VAL H . . 2.910 2.593 2.392 2.714 . 0 0 "[ . 1 . 2]" 1
203 1 20 CYS HA 1 21 VAL MG2 . . 4.470 3.244 3.121 3.386 . 0 0 "[ . 1 . 2]" 1
204 1 20 CYS HA 1 41 LEU HA . . 3.730 2.424 2.048 3.085 . 0 0 "[ . 1 . 2]" 1
205 1 20 CYS HA 1 41 LEU HB2 . . 4.490 3.767 3.171 4.200 . 0 0 "[ . 1 . 2]" 1
206 1 20 CYS HA 1 41 LEU HB3 . . 3.590 2.263 1.999 2.661 . 0 0 "[ . 1 . 2]" 1
207 1 20 CYS HA 1 41 LEU MD1 . . 4.880 3.956 3.435 4.222 . 0 0 "[ . 1 . 2]" 1
208 1 20 CYS HA 1 41 LEU MD2 . . 3.810 2.909 2.516 3.560 . 0 0 "[ . 1 . 2]" 1
209 1 20 CYS HA 1 41 LEU HG . . 4.980 4.837 4.580 4.978 . 0 0 "[ . 1 . 2]" 1
210 1 20 CYS QB 1 21 VAL H . . 4.060 2.294 1.952 3.084 . 0 0 "[ . 1 . 2]" 1
211 1 20 CYS QB 1 41 LEU MD2 . . 4.700 4.376 4.173 4.541 . 0 0 "[ . 1 . 2]" 1
212 1 20 CYS HB2 1 21 VAL H . . 4.660 3.674 3.044 4.012 . 0 0 "[ . 1 . 2]" 1
213 1 20 CYS HB2 1 41 LEU HB3 . . 5.500 5.039 4.199 5.501 0.001 4 0 "[ . 1 . 2]" 1
214 1 20 CYS HB3 1 21 VAL H . . 4.660 2.324 1.975 3.205 . 0 0 "[ . 1 . 2]" 1
215 1 20 CYS HB3 1 41 LEU HB3 . . 5.500 4.757 4.225 5.113 . 0 0 "[ . 1 . 2]" 1
216 1 21 VAL H 1 21 VAL HB . . 3.410 2.753 2.666 2.844 . 0 0 "[ . 1 . 2]" 1
217 1 21 VAL H 1 21 VAL MG1 . . 4.180 3.899 3.859 3.935 . 0 0 "[ . 1 . 2]" 1
218 1 21 VAL H 1 21 VAL MG2 . . 3.270 2.687 2.535 2.817 . 0 0 "[ . 1 . 2]" 1
219 1 21 VAL H 1 22 HIS H . . 3.830 2.127 1.989 2.440 . 0 0 "[ . 1 . 2]" 1
220 1 21 VAL H 1 41 LEU HB3 . . 4.130 3.663 2.994 4.090 . 0 0 "[ . 1 . 2]" 1
221 1 21 VAL H 1 42 CYS QB . . 4.490 3.379 2.623 3.890 . 0 0 "[ . 1 . 2]" 1
222 1 21 VAL HA 1 21 VAL MG1 . . 2.990 2.377 2.352 2.390 . 0 0 "[ . 1 . 2]" 1
223 1 21 VAL HA 1 21 VAL MG2 . . 3.180 2.412 2.370 2.472 . 0 0 "[ . 1 . 2]" 1
224 1 21 VAL HB 1 22 HIS H . . 3.110 2.368 1.994 2.501 . 0 0 "[ . 1 . 2]" 1
225 1 21 VAL HB 1 22 HIS HD2 . . 4.050 3.141 2.495 3.651 . 0 0 "[ . 1 . 2]" 1
226 1 21 VAL HB 1 43 ASP HA . . 3.540 3.083 2.309 3.540 0.000 17 0 "[ . 1 . 2]" 1
227 1 21 VAL HB 1 43 ASP QB . . 4.000 3.093 2.338 3.914 . 0 0 "[ . 1 . 2]" 1
228 1 21 VAL MG1 1 22 HIS H . . 3.510 3.447 3.067 3.511 0.001 5 0 "[ . 1 . 2]" 1
229 1 21 VAL MG1 1 22 HIS HA . . 4.510 4.041 3.748 4.150 . 0 0 "[ . 1 . 2]" 1
230 1 21 VAL MG1 1 22 HIS HD2 . . 3.480 2.751 2.466 3.006 . 0 0 "[ . 1 . 2]" 1
231 1 21 VAL MG1 1 22 HIS HE1 . . 3.640 3.108 2.735 3.603 . 0 0 "[ . 1 . 2]" 1
232 1 21 VAL MG1 1 43 ASP HA . . 4.040 3.588 2.830 4.030 . 0 0 "[ . 1 . 2]" 1
233 1 21 VAL MG1 1 43 ASP HB2 . . 4.700 3.536 2.375 4.624 . 0 0 "[ . 1 . 2]" 1
234 1 21 VAL MG1 1 43 ASP QB . . 4.120 3.260 2.290 4.033 . 0 0 "[ . 1 . 2]" 1
235 1 21 VAL MG1 1 43 ASP HB3 . . 4.700 4.008 2.992 4.701 0.001 7 0 "[ . 1 . 2]" 1
236 1 21 VAL MG2 1 22 HIS H . . 4.000 3.623 3.519 3.687 . 0 0 "[ . 1 . 2]" 1
237 1 21 VAL MG2 1 22 HIS HD2 . . 4.800 4.404 3.915 4.769 . 0 0 "[ . 1 . 2]" 1
238 1 21 VAL MG2 1 41 LEU HB3 . . 4.290 2.622 2.055 3.528 . 0 0 "[ . 1 . 2]" 1
239 1 21 VAL MG2 1 43 ASP HA . . 3.840 3.561 3.130 3.842 0.002 16 0 "[ . 1 . 2]" 1
240 1 21 VAL MG2 1 43 ASP HB2 . . 3.530 2.843 2.134 3.474 . 0 0 "[ . 1 . 2]" 1
241 1 21 VAL MG2 1 43 ASP QB . . 3.090 2.216 1.893 2.671 . 0 0 "[ . 1 . 2]" 1
242 1 21 VAL MG2 1 43 ASP HB3 . . 3.530 2.581 1.976 3.500 . 0 0 "[ . 1 . 2]" 1
243 1 22 HIS H 1 22 HIS HB2 . . 3.670 2.860 2.731 2.914 . 0 0 "[ . 1 . 2]" 1
244 1 22 HIS H 1 22 HIS HD2 . . 4.010 3.826 3.063 4.010 . 12 0 "[ . 1 . 2]" 1
245 1 22 HIS H 1 23 GLY H . . 4.640 4.413 4.354 4.505 . 0 0 "[ . 1 . 2]" 1
246 1 22 HIS H 1 42 CYS QB . . 3.500 3.075 2.091 3.500 0.000 3 0 "[ . 1 . 2]" 1
247 1 22 HIS HA 1 23 GLY H . . 2.910 2.522 2.306 2.710 . 0 0 "[ . 1 . 2]" 1
248 1 22 HIS HB2 1 37 TRP HE3 . . 4.780 4.567 4.178 4.780 . 0 0 "[ . 1 . 2]" 1
249 1 22 HIS HB2 1 37 TRP HH2 . . 3.640 3.090 2.583 3.640 . 0 0 "[ . 1 . 2]" 1
250 1 22 HIS HB2 1 37 TRP HZ3 . . 3.990 3.358 2.640 3.942 . 0 0 "[ . 1 . 2]" 1
251 1 22 HIS HB3 1 23 GLY H . . 4.170 2.275 2.029 2.738 . 0 0 "[ . 1 . 2]" 1
252 1 22 HIS HB3 1 23 GLY QA . . 4.490 3.866 3.778 4.019 . 0 0 "[ . 1 . 2]" 1
253 1 22 HIS HB3 1 37 TRP HZ3 . . 5.500 4.756 4.110 5.263 . 0 0 "[ . 1 . 2]" 1
254 1 22 HIS HD2 1 37 TRP HE3 . . 4.570 4.487 4.122 4.570 . 0 0 "[ . 1 . 2]" 1
255 1 22 HIS HD2 1 37 TRP HH2 . . 4.780 3.025 2.543 3.408 . 0 0 "[ . 1 . 2]" 1
256 1 22 HIS HD2 1 37 TRP HZ2 . . 5.500 5.238 4.384 5.500 0.000 12 0 "[ . 1 . 2]" 1
257 1 22 HIS HD2 1 37 TRP HZ3 . . 4.020 2.353 2.099 2.680 . 0 0 "[ . 1 . 2]" 1
258 1 22 HIS HD2 1 43 ASP HA . . 3.330 3.029 2.024 3.332 0.002 14 0 "[ . 1 . 2]" 1
259 1 22 HIS HD2 1 43 ASP QB . . 4.950 4.265 3.300 4.824 . 0 0 "[ . 1 . 2]" 1
260 1 23 GLY QA 1 24 ILE H . . 2.750 2.195 2.148 2.282 . 0 0 "[ . 1 . 2]" 1
261 1 23 GLY QA 1 24 ILE QG . . 5.100 3.650 3.471 3.762 . 0 0 "[ . 1 . 2]" 1
262 1 23 GLY QA 1 24 ILE MG . . 4.170 3.184 3.042 3.515 . 0 0 "[ . 1 . 2]" 1
263 1 23 GLY HA2 1 24 ILE H . . 3.160 2.901 2.580 3.036 . 0 0 "[ . 1 . 2]" 1
264 1 23 GLY HA2 1 24 ILE MG . . 5.040 3.321 3.171 3.670 . 0 0 "[ . 1 . 2]" 1
265 1 23 GLY HA3 1 24 ILE H . . 3.160 2.286 2.197 2.544 . 0 0 "[ . 1 . 2]" 1
266 1 23 GLY HA3 1 24 ILE MG . . 5.040 4.091 3.903 4.496 . 0 0 "[ . 1 . 2]" 1
267 1 24 ILE H 1 24 ILE HB . . 4.180 3.884 3.723 3.946 . 0 0 "[ . 1 . 2]" 1
268 1 24 ILE H 1 24 ILE MD . . 4.290 3.982 3.813 4.122 . 0 0 "[ . 1 . 2]" 1
269 1 24 ILE H 1 24 ILE QG . . 2.970 2.309 2.104 2.459 . 0 0 "[ . 1 . 2]" 1
270 1 24 ILE H 1 24 ILE MG . . 3.620 3.051 2.770 3.264 . 0 0 "[ . 1 . 2]" 1
271 1 24 ILE H 1 25 CYS H . . 4.770 4.379 4.355 4.436 . 0 0 "[ . 1 . 2]" 1
272 1 24 ILE H 1 31 CYS HA . . 5.350 5.269 5.078 5.337 . 0 0 "[ . 1 . 2]" 1
273 1 24 ILE H 1 32 LEU H . . 3.500 3.480 3.379 3.502 0.002 16 0 "[ . 1 . 2]" 1
274 1 24 ILE H 1 32 LEU HB2 . . 4.000 3.173 2.292 3.517 . 0 0 "[ . 1 . 2]" 1
275 1 24 ILE H 1 32 LEU HB3 . . 4.790 4.444 3.791 4.748 . 0 0 "[ . 1 . 2]" 1
276 1 24 ILE H 1 32 LEU HG . . 5.500 5.202 4.260 5.499 . 0 0 "[ . 1 . 2]" 1
277 1 24 ILE HA 1 24 ILE HB . . 2.930 2.452 2.412 2.507 . 0 0 "[ . 1 . 2]" 1
278 1 24 ILE HA 1 24 ILE QG . . 3.920 3.313 3.300 3.336 . 0 0 "[ . 1 . 2]" 1
279 1 24 ILE HA 1 24 ILE MG . . 2.910 2.295 2.184 2.386 . 0 0 "[ . 1 . 2]" 1
280 1 24 ILE HA 1 25 CYS H . . 2.970 2.635 2.609 2.668 . 0 0 "[ . 1 . 2]" 1
281 1 24 ILE HB 1 24 ILE MD . . 3.240 2.177 2.019 2.413 . 0 0 "[ . 1 . 2]" 1
282 1 24 ILE HB 1 25 CYS H . . 2.730 1.952 1.949 1.963 . 0 0 "[ . 1 . 2]" 1
283 1 24 ILE HB 1 25 CYS HA . . 4.740 4.205 4.091 4.297 . 0 0 "[ . 1 . 2]" 1
284 1 24 ILE MD 1 25 CYS H . . 3.950 3.052 2.310 3.710 . 0 0 "[ . 1 . 2]" 1
285 1 24 ILE QG 1 24 ILE MG . . 3.100 2.112 1.971 2.334 . 0 0 "[ . 1 . 2]" 1
286 1 24 ILE QG 1 25 CYS H . . 3.730 3.301 2.827 3.541 . 0 0 "[ . 1 . 2]" 1
287 1 24 ILE QG 1 25 CYS HA . . 5.450 3.651 3.199 3.925 . 0 0 "[ . 1 . 2]" 1
288 1 24 ILE QG 1 32 LEU H . . 4.720 4.223 3.789 4.612 . 0 0 "[ . 1 . 2]" 1
289 1 24 ILE QG 1 32 LEU HB2 . . 3.620 2.291 2.043 2.517 . 0 0 "[ . 1 . 2]" 1
290 1 24 ILE MG 1 25 CYS H . . 3.780 3.531 3.436 3.594 . 0 0 "[ . 1 . 2]" 1
291 1 25 CYS H 1 32 LEU HB2 . . 5.090 4.338 3.872 4.825 . 0 0 "[ . 1 . 2]" 1
292 1 25 CYS HA 1 26 ASN H . . 2.860 2.270 2.230 2.290 . 0 0 "[ . 1 . 2]" 1
293 1 25 CYS HA 1 27 GLU H . . 4.000 3.912 3.833 3.976 . 0 0 "[ . 1 . 2]" 1
294 1 25 CYS HA 1 30 GLN QB . . 5.070 4.082 3.800 4.370 . 0 0 "[ . 1 . 2]" 1
295 1 25 CYS HA 1 32 LEU HB2 . . 4.360 3.010 2.540 3.930 . 0 0 "[ . 1 . 2]" 1
296 1 25 CYS HA 1 32 LEU MD1 . . 3.840 2.038 1.928 2.171 . 0 0 "[ . 1 . 2]" 1
297 1 25 CYS HA 1 32 LEU HG . . 3.920 2.573 2.028 3.127 . 0 0 "[ . 1 . 2]" 1
298 1 25 CYS HB2 1 26 ASN H . . 3.600 2.815 2.759 2.930 . 0 0 "[ . 1 . 2]" 1
299 1 25 CYS HB2 1 27 GLU H . . 3.760 3.130 2.725 3.257 . 0 0 "[ . 1 . 2]" 1
300 1 25 CYS HB2 1 30 GLN H . . 4.280 4.016 3.649 4.282 0.002 20 0 "[ . 1 . 2]" 1
301 1 25 CYS HB2 1 30 GLN HB2 . . 4.250 3.120 2.686 3.797 . 0 0 "[ . 1 . 2]" 1
302 1 25 CYS HB2 1 30 GLN QB . . 3.620 2.782 2.463 3.108 . 0 0 "[ . 1 . 2]" 1
303 1 25 CYS HB2 1 30 GLN HB3 . . 4.250 3.192 2.637 3.580 . 0 0 "[ . 1 . 2]" 1
304 1 25 CYS HB2 1 32 LEU MD1 . . 4.480 3.677 3.277 3.972 . 0 0 "[ . 1 . 2]" 1
305 1 25 CYS HB3 1 26 ASN H . . 4.100 4.048 4.016 4.100 . 0 0 "[ . 1 . 2]" 1
306 1 25 CYS HB3 1 32 LEU HB2 . . 5.500 4.181 3.907 4.501 . 0 0 "[ . 1 . 2]" 1
307 1 26 ASN H 1 26 ASN QB . . 3.270 2.652 2.361 3.065 . 0 0 "[ . 1 . 2]" 1
308 1 26 ASN H 1 27 GLU H . . 2.780 2.017 1.898 2.529 . 0 0 "[ . 1 . 2]" 1
309 1 26 ASN H 1 27 GLU QB . . 3.850 3.777 3.548 3.845 . 0 0 "[ . 1 . 2]" 1
310 1 26 ASN H 1 30 GLN QB . . 4.450 3.895 3.459 4.103 . 0 0 "[ . 1 . 2]" 1
311 1 26 ASN H 1 32 LEU MD1 . . 3.480 2.327 1.920 2.993 . 0 0 "[ . 1 . 2]" 1
312 1 26 ASN QB 1 27 GLU H . . 4.280 3.436 2.902 4.030 . 0 0 "[ . 1 . 2]" 1
313 1 26 ASN QB 1 27 GLU HA . . 4.870 4.615 4.273 4.871 0.001 2 0 "[ . 1 . 2]" 1
314 1 26 ASN QB 1 32 LEU MD1 . . 4.150 3.141 2.381 3.836 . 0 0 "[ . 1 . 2]" 1
315 1 26 ASN QD 1 27 GLU QB . . 4.440 3.598 2.718 4.430 . 0 0 "[ . 1 . 2]" 1
316 1 26 ASN QD 1 27 GLU HG3 . . 3.670 3.028 2.367 3.645 . 0 0 "[ . 1 . 2]" 1
317 1 26 ASN QD 1 32 LEU MD1 . . 5.230 3.660 1.843 5.181 . 0 0 "[ . 1 . 2]" 1
318 1 27 GLU H 1 27 GLU HG2 . . 4.840 4.508 4.321 4.832 . 0 0 "[ . 1 . 2]" 1
319 1 27 GLU H 1 27 GLU HG3 . . 4.470 3.725 3.551 4.245 . 0 0 "[ . 1 . 2]" 1
320 1 27 GLU H 1 32 LEU MD1 . . 4.840 3.802 3.274 4.425 . 0 0 "[ . 1 . 2]" 1
321 1 27 GLU HA 1 28 PRO HD2 . . 3.510 2.509 2.508 2.513 . 0 0 "[ . 1 . 2]" 1
322 1 27 GLU HA 1 28 PRO HD3 . . 3.170 2.346 2.345 2.348 . 0 0 "[ . 1 . 2]" 1
323 1 27 GLU HA 1 28 PRO QG . . 4.820 4.071 4.071 4.074 . 0 0 "[ . 1 . 2]" 1
324 1 28 PRO HA 1 29 TRP H . . 3.190 2.155 2.151 2.177 . 0 0 "[ . 1 . 2]" 1
325 1 28 PRO HB2 1 29 TRP HD1 . . 4.000 3.240 3.163 3.267 . 0 0 "[ . 1 . 2]" 1
326 1 28 PRO HB2 1 29 TRP HE1 . . 4.480 3.874 3.768 4.136 . 0 0 "[ . 1 . 2]" 1
327 1 28 PRO HB3 1 29 TRP H . . 4.620 4.029 3.879 4.159 . 0 0 "[ . 1 . 2]" 1
328 1 28 PRO HB3 1 29 TRP HD1 . . 5.500 4.977 4.910 5.012 . 0 0 "[ . 1 . 2]" 1
329 1 28 PRO HB3 1 29 TRP HE1 . . 5.340 5.118 5.070 5.285 . 0 0 "[ . 1 . 2]" 1
330 1 29 TRP H 1 29 TRP HE3 . . 4.330 3.199 3.153 3.370 . 0 0 "[ . 1 . 2]" 1
331 1 29 TRP H 1 30 GLN H . . 4.640 3.026 2.644 3.248 . 0 0 "[ . 1 . 2]" 1
332 1 29 TRP HA 1 29 TRP HD1 . . 4.810 4.785 4.750 4.795 . 0 0 "[ . 1 . 2]" 1
333 1 29 TRP HA 1 29 TRP HE3 . . 2.940 2.002 1.998 2.033 . 0 0 "[ . 1 . 2]" 1
334 1 29 TRP HA 1 29 TRP HZ3 . . 4.730 4.371 4.352 4.389 . 0 0 "[ . 1 . 2]" 1
335 1 29 TRP QB 1 29 TRP HD1 . . 3.050 2.499 2.497 2.500 . 0 0 "[ . 1 . 2]" 1
336 1 29 TRP QB 1 29 TRP HE3 . . 3.590 3.065 3.041 3.073 . 0 0 "[ . 1 . 2]" 1
337 1 29 TRP HB2 1 29 TRP HD1 . . 3.680 2.560 2.555 2.562 . 0 0 "[ . 1 . 2]" 1
338 1 29 TRP HB3 1 29 TRP HD1 . . 3.680 3.490 3.483 3.509 . 0 0 "[ . 1 . 2]" 1
339 1 30 GLN H 1 30 GLN HB2 . . 4.030 2.745 2.406 2.909 . 0 0 "[ . 1 . 2]" 1
340 1 30 GLN H 1 30 GLN HB3 . . 4.030 3.615 3.146 3.751 . 0 0 "[ . 1 . 2]" 1
341 1 30 GLN H 1 30 GLN HG2 . . 4.580 4.214 3.900 4.435 . 0 0 "[ . 1 . 2]" 1
342 1 30 GLN H 1 30 GLN QG . . 3.930 3.830 3.687 3.930 0.000 18 0 "[ . 1 . 2]" 1
343 1 30 GLN H 1 30 GLN HG3 . . 4.580 4.424 4.022 4.577 . 0 0 "[ . 1 . 2]" 1
344 1 30 GLN HA 1 30 GLN HG2 . . 3.740 2.109 2.029 2.327 . 0 0 "[ . 1 . 2]" 1
345 1 30 GLN HA 1 30 GLN QG . . 3.260 2.087 2.010 2.299 . 0 0 "[ . 1 . 2]" 1
346 1 30 GLN HA 1 30 GLN HG3 . . 3.740 3.327 3.038 3.582 . 0 0 "[ . 1 . 2]" 1
347 1 30 GLN HA 1 31 CYS H . . 2.870 2.573 2.526 2.696 . 0 0 "[ . 1 . 2]" 1
348 1 30 GLN HA 1 32 LEU MD2 . . 5.500 5.308 4.739 5.499 . 0 0 "[ . 1 . 2]" 1
349 1 30 GLN QB 1 31 CYS H . . 3.390 2.209 2.106 2.307 . 0 0 "[ . 1 . 2]" 1
350 1 30 GLN QB 1 32 LEU MD2 . . 5.060 3.459 3.108 3.715 . 0 0 "[ . 1 . 2]" 1
351 1 30 GLN HB2 1 31 CYS H . . 3.990 3.696 3.619 3.775 . 0 0 "[ . 1 . 2]" 1
352 1 30 GLN HB3 1 31 CYS H . . 3.990 2.226 2.120 2.327 . 0 0 "[ . 1 . 2]" 1
353 1 30 GLN QE 1 32 LEU MD2 . . 3.980 2.932 1.897 3.864 . 0 0 "[ . 1 . 2]" 1
354 1 30 GLN QG 1 31 CYS H . . 4.250 3.304 2.726 3.712 . 0 0 "[ . 1 . 2]" 1
355 1 30 GLN HG2 1 31 CYS H . . 4.920 3.437 2.768 4.006 . 0 0 "[ . 1 . 2]" 1
356 1 30 GLN HG3 1 31 CYS H . . 4.920 4.353 3.836 4.537 . 0 0 "[ . 1 . 2]" 1
357 1 31 CYS H 1 31 CYS HB2 . . 4.170 2.917 2.648 3.517 . 0 0 "[ . 1 . 2]" 1
358 1 31 CYS H 1 31 CYS QB . . 3.630 2.696 2.595 2.813 . 0 0 "[ . 1 . 2]" 1
359 1 31 CYS H 1 31 CYS HB3 . . 4.170 3.507 2.832 3.822 . 0 0 "[ . 1 . 2]" 1
360 1 31 CYS H 1 32 LEU MD2 . . 4.060 3.368 2.729 3.594 . 0 0 "[ . 1 . 2]" 1
361 1 31 CYS H 1 32 LEU HG . . 4.650 3.711 3.289 4.096 . 0 0 "[ . 1 . 2]" 1
362 1 31 CYS HA 1 32 LEU H . . 2.930 2.174 2.140 2.240 . 0 0 "[ . 1 . 2]" 1
363 1 31 CYS QB 1 32 LEU HA . . 5.340 4.216 3.977 4.714 . 0 0 "[ . 1 . 2]" 1
364 1 31 CYS QB 1 32 LEU HG . . 5.340 4.920 4.508 5.277 . 0 0 "[ . 1 . 2]" 1
365 1 31 CYS QB 1 41 LEU HA . . 5.340 4.197 3.660 4.781 . 0 0 "[ . 1 . 2]" 1
366 1 31 CYS QB 1 42 CYS H . . 5.340 5.337 5.323 5.341 0.001 3 0 "[ . 1 . 2]" 1
367 1 32 LEU H 1 32 LEU HB2 . . 3.820 2.749 2.502 2.911 . 0 0 "[ . 1 . 2]" 1
368 1 32 LEU H 1 32 LEU MD1 . . 5.200 4.155 3.881 4.305 . 0 0 "[ . 1 . 2]" 1
369 1 32 LEU H 1 32 LEU MD2 . . 5.500 3.746 3.358 3.979 . 0 0 "[ . 1 . 2]" 1
370 1 32 LEU H 1 32 LEU HG . . 3.550 3.001 2.582 3.227 . 0 0 "[ . 1 . 2]" 1
371 1 32 LEU HA 1 32 LEU MD1 . . 4.390 3.880 3.812 3.944 . 0 0 "[ . 1 . 2]" 1
372 1 32 LEU HA 1 32 LEU MD2 . . 3.040 2.043 1.966 2.256 . 0 0 "[ . 1 . 2]" 1
373 1 32 LEU HA 1 32 LEU HG . . 4.020 3.214 3.126 3.362 . 0 0 "[ . 1 . 2]" 1
374 1 32 LEU HA 1 33 CYS H . . 2.540 2.196 2.139 2.344 . 0 0 "[ . 1 . 2]" 1
375 1 32 LEU HB2 1 32 LEU MD1 . . 3.490 2.271 2.114 2.455 . 0 0 "[ . 1 . 2]" 1
376 1 32 LEU HB3 1 32 LEU MD2 . . 3.620 2.336 2.240 2.429 . 0 0 "[ . 1 . 2]" 1
377 1 32 LEU HB3 1 33 CYS H . . 3.750 3.328 2.575 3.752 0.002 14 0 "[ . 1 . 2]" 1
378 1 32 LEU MD2 1 33 CYS H . . 3.880 3.633 3.415 3.816 . 0 0 "[ . 1 . 2]" 1
379 1 33 CYS H 1 33 CYS QB . . 3.650 3.092 2.566 3.410 . 0 0 "[ . 1 . 2]" 1
380 1 33 CYS HA 1 34 GLU H . . 3.230 2.439 2.284 2.633 . 0 0 "[ . 1 . 2]" 1
381 1 33 CYS HA 1 34 GLU HA . . 4.710 4.316 4.293 4.377 . 0 0 "[ . 1 . 2]" 1
382 1 33 CYS HA 1 37 TRP HB2 . . 5.500 5.084 3.999 5.500 0.000 10 0 "[ . 1 . 2]" 1
383 1 33 CYS HA 1 42 CYS QB . . 4.640 4.357 3.169 4.644 0.004 14 0 "[ . 1 . 2]" 1
384 1 33 CYS QB 1 34 GLU H . . 3.090 2.366 1.957 2.688 . 0 0 "[ . 1 . 2]" 1
385 1 33 CYS QB 1 42 CYS QB . . 3.690 2.306 1.963 2.958 . 0 0 "[ . 1 . 2]" 1
386 1 34 GLU H 1 34 GLU HB2 . . 3.500 2.134 2.065 2.382 . 0 0 "[ . 1 . 2]" 1
387 1 34 GLU H 1 34 GLU HB3 . . 3.500 3.247 3.015 3.466 . 0 0 "[ . 1 . 2]" 1
388 1 34 GLU H 1 34 GLU HG2 . . 4.680 4.343 3.703 4.651 . 0 0 "[ . 1 . 2]" 1
389 1 34 GLU H 1 34 GLU QG . . 4.120 3.592 2.948 3.953 . 0 0 "[ . 1 . 2]" 1
390 1 34 GLU H 1 34 GLU HG3 . . 4.680 3.860 3.020 4.442 . 0 0 "[ . 1 . 2]" 1
391 1 34 GLU H 1 37 TRP HB2 . . 4.540 3.836 2.712 4.537 . 0 0 "[ . 1 . 2]" 1
392 1 34 GLU H 1 37 TRP HD1 . . 5.010 2.663 1.951 3.222 . 0 0 "[ . 1 . 2]" 1
393 1 34 GLU H 1 37 TRP HE1 . . 3.900 3.673 2.993 3.901 0.001 7 0 "[ . 1 . 2]" 1
394 1 34 GLU HA 1 34 GLU QG . . 3.210 2.163 2.001 2.594 . 0 0 "[ . 1 . 2]" 1
395 1 34 GLU HA 1 35 THR H . . 2.680 2.436 2.252 2.613 . 0 0 "[ . 1 . 2]" 1
396 1 34 GLU HA 1 37 TRP HD1 . . 4.750 4.225 3.901 4.552 . 0 0 "[ . 1 . 2]" 1
397 1 34 GLU QB 1 35 THR H . . 3.850 2.676 2.171 3.084 . 0 0 "[ . 1 . 2]" 1
398 1 34 GLU QB 1 37 TRP HD1 . . 3.150 2.217 1.988 2.608 . 0 0 "[ . 1 . 2]" 1
399 1 34 GLU QG 1 35 THR H . . 3.400 2.641 2.003 3.350 . 0 0 "[ . 1 . 2]" 1
400 1 34 GLU QG 1 37 TRP HD1 . . 4.630 4.235 3.902 4.558 . 0 0 "[ . 1 . 2]" 1
401 1 34 GLU HG2 1 37 TRP HD1 . . 5.500 4.773 4.211 5.269 . 0 0 "[ . 1 . 2]" 1
402 1 34 GLU HG3 1 37 TRP HD1 . . 5.500 4.778 4.156 5.233 . 0 0 "[ . 1 . 2]" 1
403 1 35 THR H 1 35 THR HA . . 2.940 2.824 2.773 2.874 . 0 0 "[ . 1 . 2]" 1
404 1 35 THR H 1 35 THR HB . . 3.050 2.585 2.501 2.685 . 0 0 "[ . 1 . 2]" 1
405 1 35 THR H 1 35 THR MG . . 3.860 3.769 3.757 3.784 . 0 0 "[ . 1 . 2]" 1
406 1 35 THR H 1 36 ASN H . . 4.480 2.588 2.420 2.803 . 0 0 "[ . 1 . 2]" 1
407 1 35 THR HA 1 35 THR MG . . 2.910 2.303 2.215 2.383 . 0 0 "[ . 1 . 2]" 1
408 1 35 THR HB 1 36 ASN H . . 3.400 2.905 2.569 3.053 . 0 0 "[ . 1 . 2]" 1
409 1 35 THR MG 1 36 ASN H . . 3.880 3.759 3.501 3.864 . 0 0 "[ . 1 . 2]" 1
410 1 35 THR MG 1 36 ASN HA . . 4.690 3.777 3.594 3.977 . 0 0 "[ . 1 . 2]" 1
411 1 35 THR MG 1 36 ASN QD . . 4.700 4.270 3.799 4.574 . 0 0 "[ . 1 . 2]" 1
412 1 36 ASN H 1 37 TRP H . . 3.390 2.785 2.492 3.392 0.002 16 0 "[ . 1 . 2]" 1
413 1 36 ASN HA 1 36 ASN QD . . 4.160 2.456 1.942 3.480 . 0 0 "[ . 1 . 2]" 1
414 1 36 ASN QB 1 36 ASN QD . . 3.070 2.403 2.219 2.546 . 0 0 "[ . 1 . 2]" 1
415 1 36 ASN QB 1 37 TRP H . . 4.310 2.878 2.459 3.906 . 0 0 "[ . 1 . 2]" 1
416 1 36 ASN HB2 1 37 TRP H . . 4.920 3.218 2.510 4.385 . 0 0 "[ . 1 . 2]" 1
417 1 36 ASN HB2 1 37 TRP HD1 . . 4.690 3.517 2.878 4.425 . 0 0 "[ . 1 . 2]" 1
418 1 36 ASN HB3 1 37 TRP H . . 4.920 3.407 2.727 4.416 . 0 0 "[ . 1 . 2]" 1
419 1 36 ASN HB3 1 37 TRP HD1 . . 4.690 4.082 3.219 4.678 . 0 0 "[ . 1 . 2]" 1
420 1 37 TRP H 1 37 TRP HB2 . . 3.130 2.493 2.251 2.651 . 0 0 "[ . 1 . 2]" 1
421 1 37 TRP H 1 37 TRP HB3 . . 3.810 3.609 3.534 3.695 . 0 0 "[ . 1 . 2]" 1
422 1 37 TRP H 1 37 TRP HD1 . . 3.940 2.335 1.985 3.925 . 0 0 "[ . 1 . 2]" 1
423 1 37 TRP H 1 38 GLY H . . 4.950 3.839 2.196 4.649 . 0 0 "[ . 1 . 2]" 1
424 1 37 TRP HA 1 37 TRP HD1 . . 4.620 3.897 3.555 4.177 . 0 0 "[ . 1 . 2]" 1
425 1 37 TRP HA 1 37 TRP HE3 . . 3.900 3.576 3.385 3.773 . 0 0 "[ . 1 . 2]" 1
426 1 37 TRP HB2 1 37 TRP HD1 . . 3.670 2.771 2.702 2.828 . 0 0 "[ . 1 . 2]" 1
427 1 37 TRP HB2 1 37 TRP HE3 . . 4.080 4.016 3.962 4.081 0.001 16 0 "[ . 1 . 2]" 1
428 1 37 TRP HB2 1 38 GLY H . . 4.450 3.108 1.957 4.241 . 0 0 "[ . 1 . 2]" 1
429 1 37 TRP HB3 1 37 TRP HE3 . . 3.260 2.466 2.429 2.525 . 0 0 "[ . 1 . 2]" 1
430 1 37 TRP HB3 1 38 GLY H . . 3.660 2.798 1.989 3.319 . 0 0 "[ . 1 . 2]" 1
431 1 37 TRP HB3 1 42 CYS HA . . 4.280 2.738 2.200 3.377 . 0 0 "[ . 1 . 2]" 1
432 1 37 TRP HB3 1 43 ASP H . . 4.900 4.117 3.498 4.868 . 0 0 "[ . 1 . 2]" 1
433 1 37 TRP HE3 1 43 ASP HA . . 3.500 3.120 2.649 3.483 . 0 0 "[ . 1 . 2]" 1
434 1 37 TRP HE3 1 43 ASP QB . . 5.340 4.624 4.331 4.943 . 0 0 "[ . 1 . 2]" 1
435 1 37 TRP HZ3 1 42 CYS HA . . 5.500 5.368 4.736 5.500 0.000 20 0 "[ . 1 . 2]" 1
436 1 37 TRP HZ3 1 43 ASP HA . . 3.680 2.597 2.278 3.082 . 0 0 "[ . 1 . 2]" 1
437 1 38 GLY H 1 39 GLY H . . 5.400 3.945 2.035 4.605 . 0 0 "[ . 1 . 2]" 1
438 1 38 GLY H 1 42 CYS HA . . 4.790 4.139 2.699 4.790 . 0 0 "[ . 1 . 2]" 1
439 1 38 GLY QA 1 39 GLY H . . 2.840 2.276 2.114 2.821 . 0 0 "[ . 1 . 2]" 1
440 1 38 GLY HA2 1 39 GLY H . . 3.560 2.528 2.142 3.562 0.002 15 0 "[ . 1 . 2]" 1
441 1 38 GLY HA3 1 39 GLY H . . 3.560 2.934 2.154 3.563 0.003 7 0 "[ . 1 . 2]" 1
442 1 39 GLY QA 1 40 GLN H . . 2.510 2.240 2.184 2.283 . 0 0 "[ . 1 . 2]" 1
443 1 39 GLY QA 1 41 LEU H . . 4.070 3.467 3.201 3.866 . 0 0 "[ . 1 . 2]" 1
444 1 39 GLY QA 1 42 CYS H . . 4.750 3.526 2.979 3.924 . 0 0 "[ . 1 . 2]" 1
445 1 39 GLY HA2 1 41 LEU H . . 4.880 4.480 4.031 4.881 0.001 6 0 "[ . 1 . 2]" 1
446 1 39 GLY HA3 1 41 LEU H . . 4.880 3.614 3.353 4.081 . 0 0 "[ . 1 . 2]" 1
447 1 40 GLN H 1 40 GLN HB2 . . 3.540 2.415 2.081 3.580 0.040 19 0 "[ . 1 . 2]" 1
448 1 40 GLN H 1 40 GLN QB . . 2.950 2.257 2.060 2.632 . 0 0 "[ . 1 . 2]" 1
449 1 40 GLN H 1 40 GLN HB3 . . 3.540 3.009 2.467 3.530 . 0 0 "[ . 1 . 2]" 1
450 1 40 GLN H 1 40 GLN HG2 . . 4.620 4.239 2.056 4.611 . 0 0 "[ . 1 . 2]" 1
451 1 40 GLN H 1 40 GLN QG . . 4.050 3.726 2.043 4.040 . 0 0 "[ . 1 . 2]" 1
452 1 40 GLN H 1 40 GLN HG3 . . 4.620 4.208 3.568 4.467 . 0 0 "[ . 1 . 2]" 1
453 1 40 GLN H 1 41 LEU H . . 3.370 2.366 1.968 2.644 . 0 0 "[ . 1 . 2]" 1
454 1 40 GLN H 1 41 LEU MD1 . . 5.260 5.113 4.795 5.258 . 0 0 "[ . 1 . 2]" 1
455 1 40 GLN H 1 41 LEU MD2 . . 4.620 4.419 3.977 4.623 0.003 18 0 "[ . 1 . 2]" 1
456 1 40 GLN H 1 41 LEU HG . . 5.500 3.820 3.458 4.026 . 0 0 "[ . 1 . 2]" 1
457 1 40 GLN HA 1 40 GLN QG . . 3.670 2.302 2.001 3.353 . 0 0 "[ . 1 . 2]" 1
458 1 40 GLN HA 1 42 CYS H . . 4.720 3.917 3.635 4.395 . 0 0 "[ . 1 . 2]" 1
459 1 40 GLN QB 1 41 LEU HG . . 4.710 3.179 2.501 3.830 . 0 0 "[ . 1 . 2]" 1
460 1 40 GLN HB2 1 41 LEU H . . 4.060 3.448 2.670 3.998 . 0 0 "[ . 1 . 2]" 1
461 1 40 GLN HB3 1 41 LEU H . . 4.060 2.994 2.376 4.053 . 0 0 "[ . 1 . 2]" 1
462 1 40 GLN QG 1 41 LEU MD2 . . 4.810 3.721 2.163 4.662 . 0 0 "[ . 1 . 2]" 1
463 1 41 LEU H 1 41 LEU HB2 . . 3.320 2.744 2.667 2.839 . 0 0 "[ . 1 . 2]" 1
464 1 41 LEU H 1 41 LEU MD1 . . 3.850 3.709 3.608 3.855 0.005 18 0 "[ . 1 . 2]" 1
465 1 41 LEU H 1 41 LEU MD2 . . 3.710 2.946 2.561 3.457 . 0 0 "[ . 1 . 2]" 1
466 1 41 LEU H 1 41 LEU HG . . 3.330 2.171 1.966 2.421 . 0 0 "[ . 1 . 2]" 1
467 1 41 LEU H 1 42 CYS H . . 3.310 2.585 2.293 2.756 . 0 0 "[ . 1 . 2]" 1
468 1 41 LEU HA 1 41 LEU MD1 . . 4.710 3.905 3.856 3.980 . 0 0 "[ . 1 . 2]" 1
469 1 41 LEU HA 1 41 LEU MD2 . . 3.300 2.256 2.031 2.445 . 0 0 "[ . 1 . 2]" 1
470 1 41 LEU HA 1 41 LEU HG . . 4.050 3.395 3.303 3.453 . 0 0 "[ . 1 . 2]" 1
471 1 41 LEU HB2 1 41 LEU MD1 . . 3.340 2.337 2.187 2.422 . 0 0 "[ . 1 . 2]" 1
472 1 41 LEU HB2 1 42 CYS H . . 4.740 3.480 2.877 4.008 . 0 0 "[ . 1 . 2]" 1
473 1 41 LEU HB3 1 41 LEU MD1 . . 3.460 2.347 2.243 2.499 . 0 0 "[ . 1 . 2]" 1
474 1 41 LEU HG 1 42 CYS H . . 4.860 4.370 3.972 4.779 . 0 0 "[ . 1 . 2]" 1
475 1 42 CYS H 1 42 CYS HA . . 2.830 2.277 2.273 2.279 . 0 0 "[ . 1 . 2]" 1
476 1 42 CYS H 1 43 ASP H . . 3.540 3.014 2.780 3.469 . 0 0 "[ . 1 . 2]" 1
477 1 42 CYS HA 1 43 ASP H . . 3.350 2.542 2.215 2.857 . 0 0 "[ . 1 . 2]" 1
478 1 43 ASP HA 1 44 LYS H . . 3.490 2.879 2.252 3.492 0.002 6 0 "[ . 1 . 2]" 1
479 1 43 ASP QB 1 44 LYS H . . 3.830 2.730 1.954 3.585 . 0 0 "[ . 1 . 2]" 1
480 1 44 LYS H 1 44 LYS QB . . 3.890 2.661 2.216 3.312 . 0 0 "[ . 1 . 2]" 1
481 1 44 LYS H 1 44 LYS HD2 . . 4.150 3.521 2.493 4.130 . 0 0 "[ . 1 . 2]" 1
482 1 44 LYS H 1 44 LYS QD . . 3.460 2.949 2.322 3.444 . 0 0 "[ . 1 . 2]" 1
483 1 44 LYS H 1 44 LYS HD3 . . 4.150 3.312 2.367 4.124 . 0 0 "[ . 1 . 2]" 1
484 1 44 LYS H 1 44 LYS QE . . 5.430 4.623 3.914 5.086 . 0 0 "[ . 1 . 2]" 1
485 1 44 LYS H 1 44 LYS QG . . 3.490 2.396 1.981 3.215 . 0 0 "[ . 1 . 2]" 1
486 1 44 LYS HA 1 44 LYS QD . . 4.330 3.676 2.016 4.259 . 0 0 "[ . 1 . 2]" 1
487 1 44 LYS HA 1 44 LYS QG . . 3.610 3.053 2.141 3.423 . 0 0 "[ . 1 . 2]" 1
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