NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368823 |
1ayj   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ayj
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 499
_Distance_constraint_stats_list.Viol_count 661
_Distance_constraint_stats_list.Viol_total 533.488
_Distance_constraint_stats_list.Viol_max 0.298
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0404
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 1.970 0.079 1 0 "[ . 1 . 2]"
1 4 CYS 1.880 0.171 20 0 "[ . 1 . 2]"
1 5 GLU 0.111 0.038 6 0 "[ . 1 . 2]"
1 6 ARG 0.560 0.116 3 0 "[ . 1 . 2]"
1 7 PRO 0.229 0.043 16 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.213 0.092 10 0 "[ . 1 . 2]"
1 10 THR 0.213 0.092 10 0 "[ . 1 . 2]"
1 11 TRP 1.969 0.124 3 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.292 0.054 4 0 "[ . 1 . 2]"
1 14 VAL 1.586 0.253 4 0 "[ . 1 . 2]"
1 15 CYS 1.028 0.247 14 0 "[ . 1 . 2]"
1 16 GLY 0.818 0.225 14 0 "[ . 1 . 2]"
1 17 ASN 1.780 0.134 8 0 "[ . 1 . 2]"
1 18 ASN 3.809 0.298 14 0 "[ . 1 . 2]"
1 19 ASN 3.837 0.298 14 0 "[ . 1 . 2]"
1 20 ALA 0.275 0.042 14 0 "[ . 1 . 2]"
1 21 CYS 1.551 0.124 3 0 "[ . 1 . 2]"
1 22 LYS 2.527 0.101 4 0 "[ . 1 . 2]"
1 23 ASN 1.358 0.101 4 0 "[ . 1 . 2]"
1 24 GLN 0.710 0.060 13 0 "[ . 1 . 2]"
1 25 CYS 1.358 0.052 20 0 "[ . 1 . 2]"
1 26 ILE 1.000 0.067 4 0 "[ . 1 . 2]"
1 27 ASN 1.458 0.060 13 0 "[ . 1 . 2]"
1 28 LEU 0.258 0.033 20 0 "[ . 1 . 2]"
1 29 GLU 0.756 0.075 14 0 "[ . 1 . 2]"
1 30 LYS 0.185 0.057 5 0 "[ . 1 . 2]"
1 31 ALA 0.037 0.015 18 0 "[ . 1 . 2]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 HIS 0.270 0.045 19 0 "[ . 1 . 2]"
1 34 GLY 0.600 0.086 16 0 "[ . 1 . 2]"
1 35 SER 1.309 0.139 14 0 "[ . 1 . 2]"
1 36 CYS 0.366 0.247 14 0 "[ . 1 . 2]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 TYR 0.211 0.063 7 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PHE 0.628 0.049 14 0 "[ . 1 . 2]"
1 41 PRO 0.665 0.049 14 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 HIS 2.798 0.253 4 0 "[ . 1 . 2]"
1 44 LYS 1.056 0.108 20 0 "[ . 1 . 2]"
1 45 CYS 0.006 0.006 15 0 "[ . 1 . 2]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 CYS 0.667 0.086 16 0 "[ . 1 . 2]"
1 48 TYR 0.322 0.041 4 0 "[ . 1 . 2]"
1 49 PHE 4.637 0.138 14 0 "[ . 1 . 2]"
1 50 PRO 2.223 0.138 14 0 "[ . 1 . 2]"
1 51 CYS 1.433 0.171 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS H 1 2 LYS QB . . 3.530 2.367 2.140 2.816 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS HA 1 3 LEU H . . 2.640 2.316 2.187 2.510 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS HA 1 3 LEU QD . . 8.170 4.140 2.834 4.767 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS QE 1 3 LEU H . . 6.600 5.260 3.600 5.899 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS QG 1 3 LEU H . . 5.280 3.793 2.480 4.544 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS QG 1 3 LEU HA . . 5.940 4.762 4.255 5.276 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU H 1 3 LEU HB2 . . 2.750 2.493 2.376 2.645 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU H 1 3 LEU HG . . 3.300 2.476 2.130 3.318 0.018 2 0 "[ . 1 . 2]" 1
9 1 3 LEU HA 1 3 LEU HB2 . . 2.970 3.009 2.987 3.027 0.057 10 0 "[ . 1 . 2]" 1
10 1 3 LEU HA 1 3 LEU HB3 . . 2.640 2.473 2.365 2.542 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU HA 1 3 LEU HG . . 3.300 2.801 2.446 3.118 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU HA 1 48 TYR CG . . 7.700 6.638 6.128 7.675 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU HA 1 49 PHE H . . 4.510 4.292 3.833 4.559 0.049 7 0 "[ . 1 . 2]" 1
14 1 3 LEU HA 1 50 PRO HA . . 2.970 2.496 2.128 3.015 0.045 10 0 "[ . 1 . 2]" 1
15 1 3 LEU HB2 1 4 CYS H . . 3.740 3.711 3.403 3.819 0.079 1 0 "[ . 1 . 2]" 1
16 1 3 LEU HB2 1 48 TYR CG . . 5.720 4.843 4.061 5.687 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU HB2 1 48 TYR CZ . . 7.700 6.524 5.694 7.557 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU HB2 1 48 TYR HA . . 5.500 4.854 3.662 5.524 0.024 3 0 "[ . 1 . 2]" 1
19 1 3 LEU HB2 1 48 TYR QB . . 6.600 3.378 2.353 4.492 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU HB3 1 4 CYS H . . 3.190 2.581 2.289 2.780 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU HB3 1 48 TYR CG . . 5.720 4.274 3.818 5.169 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU HB3 1 48 TYR CZ . . 7.700 6.491 5.753 7.665 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU HB3 1 48 TYR HA . . 4.400 3.547 3.060 3.932 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU HB3 1 48 TYR QB . . 4.730 2.475 2.146 3.221 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU HB3 1 49 PHE H . . 5.390 3.377 2.819 3.872 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU HB3 1 50 PRO HA . . 5.500 4.348 3.530 4.708 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU QD 1 4 CYS H . . 8.170 3.465 3.194 3.975 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU QD 1 32 ARG QD . . 9.270 4.267 2.516 5.897 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU QD 1 33 HIS QB . . 9.240 3.771 2.104 4.899 . 0 0 "[ . 1 . 2]" 1
30 1 3 LEU QD 1 33 HIS HD2 . . 8.140 3.732 2.472 4.618 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU QD 1 46 ILE MG . . 9.270 5.641 5.569 5.721 . 0 0 "[ . 1 . 2]" 1
32 1 3 LEU QD 1 48 TYR CG . . 10.340 3.420 3.077 3.824 . 0 0 "[ . 1 . 2]" 1
33 1 3 LEU QD 1 48 TYR CZ . . 10.340 5.060 4.519 5.770 . 0 0 "[ . 1 . 2]" 1
34 1 3 LEU QD 1 48 TYR HA . . 8.140 3.631 3.463 3.870 . 0 0 "[ . 1 . 2]" 1
35 1 3 LEU QD 1 48 TYR QB . . 9.240 2.028 1.906 2.246 . 0 0 "[ . 1 . 2]" 1
36 1 3 LEU QD 1 49 PHE HA . . 8.170 3.147 2.349 3.657 . 0 0 "[ . 1 . 2]" 1
37 1 3 LEU QD 1 50 PRO HA . . 8.030 2.660 2.277 3.439 . 0 0 "[ . 1 . 2]" 1
38 1 3 LEU QD 1 50 PRO QB . . 9.050 3.235 2.694 4.224 . 0 0 "[ . 1 . 2]" 1
39 1 3 LEU QD 1 50 PRO HD2 . . 8.170 4.094 3.780 4.783 . 0 0 "[ . 1 . 2]" 1
40 1 3 LEU QD 1 50 PRO HD3 . . 8.170 3.012 2.567 3.787 . 0 0 "[ . 1 . 2]" 1
41 1 3 LEU QD 1 50 PRO QG . . 9.050 4.017 2.592 4.867 . 0 0 "[ . 1 . 2]" 1
42 1 3 LEU HG 1 50 PRO HA . . 5.500 3.776 2.267 4.894 . 0 0 "[ . 1 . 2]" 1
43 1 3 LEU HG 1 50 PRO HD3 . . 5.500 5.440 4.212 5.548 0.048 18 0 "[ . 1 . 2]" 1
44 1 4 CYS H 1 4 CYS HB2 . . 2.750 2.625 2.332 2.761 0.011 10 0 "[ . 1 . 2]" 1
45 1 4 CYS H 1 48 TYR HA . . 5.500 4.033 3.482 4.700 . 0 0 "[ . 1 . 2]" 1
46 1 4 CYS H 1 49 PHE H . . 3.520 2.764 2.488 3.167 . 0 0 "[ . 1 . 2]" 1
47 1 4 CYS H 1 49 PHE HB2 . . 5.500 4.061 3.295 5.525 0.025 15 0 "[ . 1 . 2]" 1
48 1 4 CYS H 1 51 CYS H . . 3.960 3.547 2.638 4.005 0.045 2 0 "[ . 1 . 2]" 1
49 1 4 CYS HA 1 5 GLU H . . 2.640 2.194 2.065 2.359 . 0 0 "[ . 1 . 2]" 1
50 1 4 CYS HB2 1 49 PHE H . . 4.510 3.940 3.474 4.532 0.022 15 0 "[ . 1 . 2]" 1
51 1 4 CYS HB2 1 51 CYS HB2 . . 3.300 3.142 2.229 3.471 0.171 20 0 "[ . 1 . 2]" 1
52 1 5 GLU H 1 5 GLU HG2 . . 4.070 3.460 2.067 3.932 . 0 0 "[ . 1 . 2]" 1
53 1 5 GLU H 1 5 GLU QG . . 3.650 2.670 2.043 3.287 . 0 0 "[ . 1 . 2]" 1
54 1 5 GLU H 1 5 GLU HG3 . . 4.070 2.883 2.257 3.680 . 0 0 "[ . 1 . 2]" 1
55 1 5 GLU HA 1 46 ILE MG . . 4.950 3.271 2.693 3.964 . 0 0 "[ . 1 . 2]" 1
56 1 5 GLU HA 1 48 TYR CG . . 7.040 3.908 3.155 4.364 . 0 0 "[ . 1 . 2]" 1
57 1 5 GLU HA 1 48 TYR CZ . . 7.700 4.928 4.069 5.668 . 0 0 "[ . 1 . 2]" 1
58 1 5 GLU HA 1 48 TYR HA . . 2.860 2.592 2.255 2.898 0.038 6 0 "[ . 1 . 2]" 1
59 1 5 GLU HA 1 49 PHE H . . 5.500 3.907 3.360 4.407 . 0 0 "[ . 1 . 2]" 1
60 1 5 GLU QB 1 48 TYR CG . . 7.920 4.603 3.241 5.323 . 0 0 "[ . 1 . 2]" 1
61 1 5 GLU QB 1 48 TYR CZ . . 7.920 4.297 2.964 5.414 . 0 0 "[ . 1 . 2]" 1
62 1 5 GLU QG 1 6 ARG H . . 5.170 4.250 3.729 4.554 . 0 0 "[ . 1 . 2]" 1
63 1 6 ARG H 1 6 ARG HB2 . . 3.960 2.680 2.177 3.222 . 0 0 "[ . 1 . 2]" 1
64 1 6 ARG H 1 6 ARG QB . . 3.590 2.442 2.151 2.735 . 0 0 "[ . 1 . 2]" 1
65 1 6 ARG H 1 6 ARG HB3 . . 3.960 3.040 2.380 3.772 . 0 0 "[ . 1 . 2]" 1
66 1 6 ARG H 1 6 ARG HG2 . . 5.500 4.540 4.038 5.082 . 0 0 "[ . 1 . 2]" 1
67 1 6 ARG H 1 6 ARG QG . . 4.850 3.918 3.161 4.309 . 0 0 "[ . 1 . 2]" 1
68 1 6 ARG H 1 6 ARG HG3 . . 5.500 4.339 3.254 4.936 . 0 0 "[ . 1 . 2]" 1
69 1 6 ARG H 1 46 ILE MD . . 6.600 5.105 4.181 5.362 . 0 0 "[ . 1 . 2]" 1
70 1 6 ARG H 1 46 ILE MG . . 6.600 3.509 2.963 3.874 . 0 0 "[ . 1 . 2]" 1
71 1 6 ARG H 1 47 CYS H . . 3.630 3.130 2.677 3.637 0.007 1 0 "[ . 1 . 2]" 1
72 1 6 ARG H 1 47 CYS O . . 2.700 1.879 1.788 2.330 0.012 14 0 "[ . 1 . 2]" 1
73 1 6 ARG H 1 48 TYR HA . . 3.960 3.432 3.064 3.749 . 0 0 "[ . 1 . 2]" 1
74 1 6 ARG H 1 49 PHE CG . . 7.700 5.166 4.468 5.962 . 0 0 "[ . 1 . 2]" 1
75 1 6 ARG H 1 49 PHE HZ . . 5.500 5.033 4.519 5.486 . 0 0 "[ . 1 . 2]" 1
76 1 6 ARG HA 1 6 ARG QB . . 2.720 2.469 2.307 2.577 . 0 0 "[ . 1 . 2]" 1
77 1 6 ARG HA 1 6 ARG HD2 . . 5.500 3.814 2.153 4.877 . 0 0 "[ . 1 . 2]" 1
78 1 6 ARG HA 1 6 ARG HD3 . . 5.500 4.187 3.304 4.779 . 0 0 "[ . 1 . 2]" 1
79 1 6 ARG HA 1 6 ARG HG2 . . 3.850 2.855 2.176 3.834 . 0 0 "[ . 1 . 2]" 1
80 1 6 ARG HA 1 6 ARG QG . . 3.640 2.419 2.137 3.019 . 0 0 "[ . 1 . 2]" 1
81 1 6 ARG HA 1 6 ARG HG3 . . 3.850 2.929 2.270 3.619 . 0 0 "[ . 1 . 2]" 1
82 1 6 ARG HA 1 7 PRO HD2 . . 2.640 2.379 2.157 2.673 0.033 5 0 "[ . 1 . 2]" 1
83 1 6 ARG HA 1 7 PRO HD3 . . 2.640 2.426 2.204 2.679 0.039 18 0 "[ . 1 . 2]" 1
84 1 6 ARG HA 1 7 PRO QG . . 5.360 4.042 3.978 4.125 . 0 0 "[ . 1 . 2]" 1
85 1 6 ARG QB 1 7 PRO QD . . 5.690 3.525 2.285 3.904 . 0 0 "[ . 1 . 2]" 1
86 1 6 ARG QB 1 46 ILE MG . . 7.480 4.816 4.058 5.354 . 0 0 "[ . 1 . 2]" 1
87 1 6 ARG QB 1 47 CYS HB3 . . 6.380 3.346 2.133 4.257 . 0 0 "[ . 1 . 2]" 1
88 1 6 ARG QB 1 49 PHE CG . . 6.590 4.005 3.359 4.931 . 0 0 "[ . 1 . 2]" 1
89 1 6 ARG QB 1 49 PHE HZ . . 3.210 2.719 2.466 2.903 . 0 0 "[ . 1 . 2]" 1
90 1 6 ARG HB2 1 6 ARG HE . . 5.500 3.908 2.329 4.778 . 0 0 "[ . 1 . 2]" 1
91 1 6 ARG HB2 1 7 PRO HD2 . . 7.250 4.576 3.864 5.091 . 0 0 "[ . 1 . 2]" 1
92 1 6 ARG HB2 1 7 PRO HD3 . . 7.250 4.989 4.727 5.340 . 0 0 "[ . 1 . 2]" 1
93 1 6 ARG HB2 1 49 PHE CG . . 7.370 4.244 3.522 5.093 . 0 0 "[ . 1 . 2]" 1
94 1 6 ARG HB2 1 49 PHE HZ . . 3.740 3.435 2.585 3.788 0.048 17 0 "[ . 1 . 2]" 1
95 1 6 ARG HB3 1 6 ARG HE . . 5.500 3.230 2.076 4.757 . 0 0 "[ . 1 . 2]" 1
96 1 6 ARG HB3 1 7 PRO HD2 . . 7.250 4.141 2.328 4.976 . 0 0 "[ . 1 . 2]" 1
97 1 6 ARG HB3 1 7 PRO HD3 . . 7.250 4.745 3.735 5.149 . 0 0 "[ . 1 . 2]" 1
98 1 6 ARG HB3 1 49 PHE CG . . 7.370 4.996 3.887 6.584 . 0 0 "[ . 1 . 2]" 1
99 1 6 ARG HB3 1 49 PHE HZ . . 3.740 3.027 2.519 3.856 0.116 3 0 "[ . 1 . 2]" 1
100 1 6 ARG QD 1 49 PHE CG . . 7.700 5.079 3.579 6.751 . 0 0 "[ . 1 . 2]" 1
101 1 6 ARG QG 1 7 PRO QD . . 4.810 2.931 2.062 3.725 . 0 0 "[ . 1 . 2]" 1
102 1 6 ARG QG 1 49 PHE HZ . . 4.730 3.590 2.243 4.369 . 0 0 "[ . 1 . 2]" 1
103 1 6 ARG HG2 1 7 PRO HD2 . . 5.930 3.572 2.085 5.243 . 0 0 "[ . 1 . 2]" 1
104 1 6 ARG HG2 1 7 PRO HD3 . . 5.930 4.635 3.258 5.943 0.013 9 0 "[ . 1 . 2]" 1
105 1 6 ARG HG2 1 49 PHE CG . . 7.700 6.211 4.840 7.167 . 0 0 "[ . 1 . 2]" 1
106 1 6 ARG HG3 1 7 PRO HD2 . . 5.930 3.892 2.520 5.274 . 0 0 "[ . 1 . 2]" 1
107 1 6 ARG HG3 1 7 PRO HD3 . . 5.930 4.846 3.757 5.945 0.015 17 0 "[ . 1 . 2]" 1
108 1 6 ARG HG3 1 49 PHE CG . . 7.700 5.840 4.611 7.280 . 0 0 "[ . 1 . 2]" 1
109 1 6 ARG N 1 47 CYS O . . 3.000 2.796 2.700 3.001 0.001 1 0 "[ . 1 . 2]" 1
110 1 7 PRO HA 1 46 ILE MD . . 4.070 2.466 2.133 3.095 . 0 0 "[ . 1 . 2]" 1
111 1 7 PRO HA 1 47 CYS H . . 3.960 3.464 2.948 4.003 0.043 16 0 "[ . 1 . 2]" 1
112 1 7 PRO QB 1 46 ILE MD . . 7.480 2.769 2.323 3.569 . 0 0 "[ . 1 . 2]" 1
113 1 8 SER H 1 8 SER QB . . 3.530 2.535 2.238 2.775 . 0 0 "[ . 1 . 2]" 1
114 1 8 SER H 1 8 SER HG . . 5.500 2.944 1.877 4.392 . 0 0 "[ . 1 . 2]" 1
115 1 9 GLY H 1 10 THR H . . 3.300 2.988 2.228 3.392 0.092 10 0 "[ . 1 . 2]" 1
116 1 9 GLY HA3 1 10 THR MG . . 6.600 4.250 3.613 5.608 . 0 0 "[ . 1 . 2]" 1
117 1 10 THR HA 1 10 THR MG . . 3.740 2.314 2.185 2.381 . 0 0 "[ . 1 . 2]" 1
118 1 10 THR HA 1 28 LEU MD2 . . 6.600 5.034 4.319 5.438 . 0 0 "[ . 1 . 2]" 1
119 1 10 THR HB 1 28 LEU MD2 . . 6.160 3.503 2.818 5.036 . 0 0 "[ . 1 . 2]" 1
120 1 10 THR MG 1 11 TRP H . . 6.600 3.679 3.415 4.035 . 0 0 "[ . 1 . 2]" 1
121 1 10 THR MG 1 24 GLN HE21 . . 6.600 5.415 5.142 5.517 . 0 0 "[ . 1 . 2]" 1
122 1 10 THR MG 1 28 LEU QB . . 7.480 2.565 2.045 3.586 . 0 0 "[ . 1 . 2]" 1
123 1 10 THR MG 1 28 LEU HG . . 6.600 4.545 3.929 5.159 . 0 0 "[ . 1 . 2]" 1
124 1 10 THR MG 1 29 GLU HG2 . . 6.600 3.483 2.363 4.743 . 0 0 "[ . 1 . 2]" 1
125 1 10 THR MG 1 29 GLU HG3 . . 5.390 4.144 3.799 4.405 . 0 0 "[ . 1 . 2]" 1
126 1 11 TRP H 1 11 TRP HB2 . . 2.970 2.400 2.153 2.931 . 0 0 "[ . 1 . 2]" 1
127 1 11 TRP H 1 11 TRP HB3 . . 2.970 2.555 2.259 2.748 . 0 0 "[ . 1 . 2]" 1
128 1 11 TRP HB2 1 11 TRP HE3 . . 3.960 2.566 2.414 2.871 . 0 0 "[ . 1 . 2]" 1
129 1 11 TRP HB2 1 45 CYS QB . . 5.280 3.920 3.088 4.773 . 0 0 "[ . 1 . 2]" 1
130 1 11 TRP HB3 1 11 TRP HE3 . . 4.070 3.436 2.837 4.080 0.010 11 0 "[ . 1 . 2]" 1
131 1 11 TRP HB3 1 45 CYS QB . . 4.840 2.616 2.069 3.555 . 0 0 "[ . 1 . 2]" 1
132 1 11 TRP HD1 1 12 SER HA . . 5.500 4.403 3.874 4.763 . 0 0 "[ . 1 . 2]" 1
133 1 11 TRP HD1 1 45 CYS H . . 5.500 4.561 3.786 5.506 0.006 15 0 "[ . 1 . 2]" 1
134 1 11 TRP HD1 1 45 CYS QB . . 6.600 3.586 2.703 4.421 . 0 0 "[ . 1 . 2]" 1
135 1 11 TRP HE1 1 13 GLY HA2 . . 5.500 5.475 5.015 5.554 0.054 4 0 "[ . 1 . 2]" 1
136 1 11 TRP HE1 1 14 VAL O . . 2.700 1.821 1.778 1.899 0.022 12 0 "[ . 1 . 2]" 1
137 1 11 TRP HE3 1 20 ALA MB . . 6.600 4.526 4.314 4.811 . 0 0 "[ . 1 . 2]" 1
138 1 11 TRP HE3 1 24 GLN QB . . 4.180 2.362 2.142 2.656 . 0 0 "[ . 1 . 2]" 1
139 1 11 TRP HE3 1 24 GLN HE21 . . 4.290 2.406 1.988 2.876 . 0 0 "[ . 1 . 2]" 1
140 1 11 TRP HE3 1 24 GLN HE22 . . 5.500 3.253 2.797 3.540 . 0 0 "[ . 1 . 2]" 1
141 1 11 TRP HE3 1 24 GLN QG . . 4.290 3.303 2.331 3.902 . 0 0 "[ . 1 . 2]" 1
142 1 11 TRP HH2 1 15 CYS HA . . 5.500 4.767 3.828 5.544 0.044 8 0 "[ . 1 . 2]" 1
143 1 11 TRP HH2 1 17 ASN QB . . 6.380 3.887 2.971 4.649 . 0 0 "[ . 1 . 2]" 1
144 1 11 TRP HH2 1 20 ALA MB . . 6.600 2.157 2.046 2.413 . 0 0 "[ . 1 . 2]" 1
145 1 11 TRP HH2 1 21 CYS HA . . 4.180 4.253 4.200 4.304 0.124 3 0 "[ . 1 . 2]" 1
146 1 11 TRP HH2 1 24 GLN QG . . 6.600 5.257 4.627 5.934 . 0 0 "[ . 1 . 2]" 1
147 1 11 TRP HZ2 1 16 GLY H . . 5.500 4.982 4.425 5.526 0.026 14 0 "[ . 1 . 2]" 1
148 1 11 TRP HZ2 1 20 ALA MB . . 6.600 4.118 3.860 4.507 . 0 0 "[ . 1 . 2]" 1
149 1 11 TRP HZ3 1 20 ALA HA . . 4.730 3.921 3.791 4.148 . 0 0 "[ . 1 . 2]" 1
150 1 11 TRP HZ3 1 20 ALA MB . . 5.280 2.462 2.206 2.935 . 0 0 "[ . 1 . 2]" 1
151 1 11 TRP HZ3 1 21 CYS HA . . 2.860 2.763 2.483 2.886 0.026 14 0 "[ . 1 . 2]" 1
152 1 11 TRP HZ3 1 24 GLN QB . . 4.510 2.683 2.218 3.269 . 0 0 "[ . 1 . 2]" 1
153 1 11 TRP HZ3 1 24 GLN QG . . 6.600 3.309 2.733 4.072 . 0 0 "[ . 1 . 2]" 1
154 1 11 TRP NE1 1 14 VAL O . . 3.000 2.745 2.695 2.827 . 0 0 "[ . 1 . 2]" 1
155 1 12 SER HA 1 45 CYS QB . . 6.600 4.905 3.802 6.028 . 0 0 "[ . 1 . 2]" 1
156 1 13 GLY HA3 1 14 VAL H . . 3.190 2.413 2.187 2.627 . 0 0 "[ . 1 . 2]" 1
157 1 14 VAL H 1 14 VAL HB . . 2.860 2.534 2.463 2.746 . 0 0 "[ . 1 . 2]" 1
158 1 14 VAL HA 1 15 CYS H . . 2.970 2.223 2.133 2.317 . 0 0 "[ . 1 . 2]" 1
159 1 14 VAL HA 1 16 GLY H . . 4.620 4.287 3.994 4.552 . 0 0 "[ . 1 . 2]" 1
160 1 14 VAL HB 1 15 CYS H . . 4.070 4.072 3.848 4.169 0.099 3 0 "[ . 1 . 2]" 1
161 1 14 VAL HB 1 16 GLY H . . 5.500 4.650 3.829 5.550 0.050 14 0 "[ . 1 . 2]" 1
162 1 14 VAL MG1 1 15 CYS H . . 6.600 2.562 2.229 2.864 . 0 0 "[ . 1 . 2]" 1
163 1 14 VAL MG1 1 16 GLY H . . 6.600 2.490 2.023 3.221 . 0 0 "[ . 1 . 2]" 1
164 1 14 VAL MG2 1 15 CYS H . . 6.600 4.048 3.863 4.370 . 0 0 "[ . 1 . 2]" 1
165 1 14 VAL MG2 1 15 CYS HA . . 6.600 5.735 5.632 5.794 . 0 0 "[ . 1 . 2]" 1
166 1 14 VAL MG2 1 16 GLY H . . 6.600 5.074 4.763 5.498 . 0 0 "[ . 1 . 2]" 1
167 1 14 VAL MG2 1 16 GLY HA2 . . 6.600 6.201 5.731 6.825 0.225 14 0 "[ . 1 . 2]" 1
168 1 14 VAL MG2 1 43 HIS HB3 . . 6.600 6.169 5.635 6.853 0.253 4 0 "[ . 1 . 2]" 1
169 1 15 CYS H 1 15 CYS HB3 . . 3.190 2.523 2.194 3.211 0.021 14 0 "[ . 1 . 2]" 1
170 1 15 CYS HA 1 15 CYS HB2 . . 2.860 2.319 2.181 2.517 . 0 0 "[ . 1 . 2]" 1
171 1 15 CYS HB2 1 36 CYS HA . . 5.500 3.949 2.871 4.887 . 0 0 "[ . 1 . 2]" 1
172 1 15 CYS HB2 1 44 LYS HA . . 5.500 4.540 3.536 5.580 0.080 11 0 "[ . 1 . 2]" 1
173 1 15 CYS HB2 1 45 CYS H . . 5.500 3.910 3.183 5.015 . 0 0 "[ . 1 . 2]" 1
174 1 15 CYS HB3 1 16 GLY H . . 4.510 3.816 3.544 3.999 . 0 0 "[ . 1 . 2]" 1
175 1 15 CYS HB3 1 36 CYS HB2 . . 5.500 3.908 3.062 5.747 0.247 14 0 "[ . 1 . 2]" 1
176 1 17 ASN H 1 17 ASN QB . . 3.680 2.742 2.303 3.021 . 0 0 "[ . 1 . 2]" 1
177 1 17 ASN H 1 43 HIS HB2 . . 5.500 5.443 4.974 5.561 0.061 12 0 "[ . 1 . 2]" 1
178 1 17 ASN H 1 43 HIS HB3 . . 5.170 5.241 5.201 5.304 0.134 8 0 "[ . 1 . 2]" 1
179 1 17 ASN HA 1 17 ASN QB . . 2.720 2.359 2.331 2.416 . 0 0 "[ . 1 . 2]" 1
180 1 17 ASN HA 1 18 ASN H . . 3.410 2.159 2.109 2.231 . 0 0 "[ . 1 . 2]" 1
181 1 17 ASN HA 1 20 ALA MB . . 6.600 4.660 4.473 4.957 . 0 0 "[ . 1 . 2]" 1
182 1 17 ASN HA 1 36 CYS HB3 . . 5.500 4.542 4.017 5.531 0.031 4 0 "[ . 1 . 2]" 1
183 1 17 ASN HD21 1 18 ASN QB . . 6.380 4.815 4.241 6.206 . 0 0 "[ . 1 . 2]" 1
184 1 17 ASN HD21 1 20 ALA MB . . 6.600 4.993 4.169 5.259 . 0 0 "[ . 1 . 2]" 1
185 1 17 ASN HD22 1 20 ALA MB . . 6.600 4.842 4.018 5.162 . 0 0 "[ . 1 . 2]" 1
186 1 18 ASN H 1 18 ASN QB . . 3.490 2.129 2.004 2.173 . 0 0 "[ . 1 . 2]" 1
187 1 18 ASN H 1 18 ASN HD21 . . 5.500 4.383 4.127 4.809 . 0 0 "[ . 1 . 2]" 1
188 1 18 ASN H 1 18 ASN HD22 . . 5.500 5.565 5.452 5.630 0.130 1 0 "[ . 1 . 2]" 1
189 1 18 ASN H 1 19 ASN H . . 3.630 2.992 2.797 3.174 . 0 0 "[ . 1 . 2]" 1
190 1 18 ASN HA 1 18 ASN QB . . 2.720 2.412 2.339 2.487 . 0 0 "[ . 1 . 2]" 1
191 1 18 ASN HA 1 22 LYS QB . . 6.600 4.315 4.134 4.688 . 0 0 "[ . 1 . 2]" 1
192 1 18 ASN HA 1 36 CYS H . . 4.620 2.151 1.846 3.081 . 0 0 "[ . 1 . 2]" 1
193 1 18 ASN QB 1 20 ALA H . . 6.050 4.656 4.527 4.782 . 0 0 "[ . 1 . 2]" 1
194 1 18 ASN HB2 1 19 ASN H . . 3.410 3.481 3.432 3.516 0.106 18 0 "[ . 1 . 2]" 1
195 1 18 ASN HB3 1 19 ASN H . . 3.410 2.077 2.033 2.290 . 0 0 "[ . 1 . 2]" 1
196 1 18 ASN HD22 1 19 ASN H . . 5.500 5.506 5.015 5.798 0.298 14 0 "[ . 1 . 2]" 1
197 1 18 ASN O 1 22 LYS H . . 2.700 1.805 1.781 1.857 0.019 8 0 "[ . 1 . 2]" 1
198 1 18 ASN O 1 22 LYS N . . 3.000 2.806 2.765 2.870 . 0 0 "[ . 1 . 2]" 1
199 1 19 ASN H 1 19 ASN HB2 . . 3.630 2.542 2.304 2.812 . 0 0 "[ . 1 . 2]" 1
200 1 19 ASN H 1 19 ASN HB3 . . 3.300 2.637 2.226 2.916 . 0 0 "[ . 1 . 2]" 1
201 1 19 ASN H 1 20 ALA H . . 2.970 2.943 2.748 3.012 0.042 14 0 "[ . 1 . 2]" 1
202 1 19 ASN H 1 22 LYS QB . . 6.600 4.452 4.298 5.284 . 0 0 "[ . 1 . 2]" 1
203 1 19 ASN H 1 35 SER HA . . 5.500 5.564 5.507 5.639 0.139 14 0 "[ . 1 . 2]" 1
204 1 19 ASN HA 1 20 ALA MB . . 6.600 5.084 5.067 5.108 . 0 0 "[ . 1 . 2]" 1
205 1 19 ASN HA 1 22 LYS H . . 4.290 3.701 3.348 3.986 . 0 0 "[ . 1 . 2]" 1
206 1 19 ASN QB 1 20 ALA H . . 4.400 2.570 2.377 2.699 . 0 0 "[ . 1 . 2]" 1
207 1 19 ASN QD 1 23 ASN HD21 . . 4.940 4.056 3.076 4.461 . 0 0 "[ . 1 . 2]" 1
208 1 20 ALA H 1 21 CYS H . . 5.500 2.808 2.611 2.868 . 0 0 "[ . 1 . 2]" 1
209 1 20 ALA HA 1 23 ASN H . . 3.850 3.709 3.492 3.842 . 0 0 "[ . 1 . 2]" 1
210 1 20 ALA HA 1 23 ASN HB2 . . 5.500 4.038 3.672 4.392 . 0 0 "[ . 1 . 2]" 1
211 1 20 ALA HA 1 23 ASN HB3 . . 5.500 2.799 2.437 2.988 . 0 0 "[ . 1 . 2]" 1
212 1 20 ALA HA 1 23 ASN HD21 . . 4.730 3.943 3.263 4.746 0.016 6 0 "[ . 1 . 2]" 1
213 1 20 ALA HA 1 24 GLN H . . 4.840 3.644 3.334 3.800 . 0 0 "[ . 1 . 2]" 1
214 1 20 ALA MB 1 24 GLN HE21 . . 6.600 5.383 5.312 5.461 . 0 0 "[ . 1 . 2]" 1
215 1 20 ALA O 1 24 GLN H . . 2.700 1.840 1.801 1.871 . 0 0 "[ . 1 . 2]" 1
216 1 20 ALA O 1 24 GLN N . . 3.000 2.826 2.734 2.872 . 0 0 "[ . 1 . 2]" 1
217 1 21 CYS H 1 21 CYS HB2 . . 3.190 2.770 2.641 2.924 . 0 0 "[ . 1 . 2]" 1
218 1 21 CYS H 1 21 CYS HB3 . . 2.860 2.302 2.192 2.457 . 0 0 "[ . 1 . 2]" 1
219 1 21 CYS H 1 22 LYS H . . 3.410 2.895 2.848 3.033 . 0 0 "[ . 1 . 2]" 1
220 1 21 CYS HA 1 21 CYS HB2 . . 2.640 2.331 2.279 2.379 . 0 0 "[ . 1 . 2]" 1
221 1 21 CYS HA 1 24 GLN QB . . 6.380 3.033 2.647 3.348 . 0 0 "[ . 1 . 2]" 1
222 1 21 CYS HB2 1 22 LYS H . . 5.500 3.854 3.775 3.973 . 0 0 "[ . 1 . 2]" 1
223 1 21 CYS HB3 1 22 LYS H . . 3.630 2.476 2.361 2.669 . 0 0 "[ . 1 . 2]" 1
224 1 21 CYS O 1 25 CYS H . . 2.700 1.846 1.792 1.928 0.008 16 0 "[ . 1 . 2]" 1
225 1 21 CYS O 1 25 CYS N . . 3.000 2.834 2.769 2.921 . 0 0 "[ . 1 . 2]" 1
226 1 22 LYS HA 1 22 LYS QG . . 3.660 2.629 2.459 3.355 . 0 0 "[ . 1 . 2]" 1
227 1 22 LYS HA 1 25 CYS H . . 4.840 3.916 3.576 4.051 . 0 0 "[ . 1 . 2]" 1
228 1 22 LYS HA 1 25 CYS HB2 . . 4.070 4.056 3.421 4.120 0.050 11 0 "[ . 1 . 2]" 1
229 1 22 LYS HA 1 25 CYS HB3 . . 5.500 3.191 2.304 3.575 . 0 0 "[ . 1 . 2]" 1
230 1 22 LYS HA 1 26 ILE H . . 4.950 4.065 3.843 4.190 . 0 0 "[ . 1 . 2]" 1
231 1 22 LYS HA 1 26 ILE MD . . 6.600 4.470 4.289 4.669 . 0 0 "[ . 1 . 2]" 1
232 1 22 LYS HA 1 33 HIS HA . . 5.500 5.356 4.718 5.545 0.045 19 0 "[ . 1 . 2]" 1
233 1 22 LYS HA 1 34 GLY H . . 5.500 3.620 3.121 3.851 . 0 0 "[ . 1 . 2]" 1
234 1 22 LYS HA 1 34 GLY HA2 . . 3.850 3.832 3.586 3.907 0.057 5 0 "[ . 1 . 2]" 1
235 1 22 LYS HA 1 34 GLY HA3 . . 2.860 2.249 2.104 2.345 . 0 0 "[ . 1 . 2]" 1
236 1 22 LYS QB 1 23 ASN H . . 3.960 2.227 2.061 3.508 . 0 0 "[ . 1 . 2]" 1
237 1 22 LYS QE 1 26 ILE MD . . 7.700 4.946 4.381 5.638 . 0 0 "[ . 1 . 2]" 1
238 1 22 LYS QG 1 23 ASN H . . 4.520 3.019 2.355 3.258 . 0 0 "[ . 1 . 2]" 1
239 1 22 LYS QG 1 23 ASN HA . . 4.270 3.220 2.983 3.462 . 0 0 "[ . 1 . 2]" 1
240 1 22 LYS QG 1 26 ILE MD . . 7.480 2.644 2.373 3.333 . 0 0 "[ . 1 . 2]" 1
241 1 22 LYS QG 1 34 GLY H . . 6.380 2.624 2.194 4.375 . 0 0 "[ . 1 . 2]" 1
242 1 22 LYS HG2 1 23 ASN H . . 5.170 3.094 2.490 3.362 . 0 0 "[ . 1 . 2]" 1
243 1 22 LYS HG2 1 23 ASN HA . . 4.730 3.321 3.022 4.328 . 0 0 "[ . 1 . 2]" 1
244 1 22 LYS HG3 1 23 ASN H . . 5.170 4.225 2.905 4.370 . 0 0 "[ . 1 . 2]" 1
245 1 22 LYS HG3 1 23 ASN HA . . 4.730 4.709 3.447 4.831 0.101 4 0 "[ . 1 . 2]" 1
246 1 22 LYS O 1 26 ILE H . . 2.700 2.004 1.911 2.053 . 0 0 "[ . 1 . 2]" 1
247 1 22 LYS O 1 26 ILE N . . 3.000 3.020 2.928 3.067 0.067 4 0 "[ . 1 . 2]" 1
248 1 23 ASN H 1 23 ASN HB2 . . 2.860 2.614 2.467 2.774 . 0 0 "[ . 1 . 2]" 1
249 1 23 ASN H 1 23 ASN QB . . 2.670 2.213 2.144 2.259 . 0 0 "[ . 1 . 2]" 1
250 1 23 ASN H 1 23 ASN HB3 . . 2.860 2.407 2.309 2.548 . 0 0 "[ . 1 . 2]" 1
251 1 23 ASN HA 1 26 ILE H . . 3.850 3.860 3.812 3.883 0.033 19 0 "[ . 1 . 2]" 1
252 1 23 ASN HA 1 26 ILE MD . . 5.500 3.248 3.045 3.542 . 0 0 "[ . 1 . 2]" 1
253 1 23 ASN HA 1 26 ILE QG . . 6.380 2.541 2.390 2.771 . 0 0 "[ . 1 . 2]" 1
254 1 23 ASN QB 1 24 GLN H . . 4.070 2.274 2.175 2.373 . 0 0 "[ . 1 . 2]" 1
255 1 24 GLN H 1 25 CYS H . . 3.080 2.962 2.856 3.072 . 0 0 "[ . 1 . 2]" 1
256 1 24 GLN HA 1 24 GLN QG . . 3.410 2.380 2.229 2.612 . 0 0 "[ . 1 . 2]" 1
257 1 24 GLN HA 1 27 ASN H . . 3.630 3.658 3.537 3.690 0.060 13 0 "[ . 1 . 2]" 1
258 1 24 GLN HA 1 27 ASN HB2 . . 3.740 3.702 3.570 3.759 0.019 10 0 "[ . 1 . 2]" 1
259 1 24 GLN HA 1 27 ASN HB3 . . 3.740 2.435 2.240 2.596 . 0 0 "[ . 1 . 2]" 1
260 1 24 GLN HA 1 28 LEU QB . . 4.950 4.083 3.534 4.138 . 0 0 "[ . 1 . 2]" 1
261 1 24 GLN HA 1 28 LEU MD1 . . 6.600 2.534 2.260 4.269 . 0 0 "[ . 1 . 2]" 1
262 1 24 GLN HA 1 28 LEU MD2 . . 6.600 4.193 3.919 4.880 . 0 0 "[ . 1 . 2]" 1
263 1 24 GLN QB 1 25 CYS H . . 4.180 2.665 2.576 2.775 . 0 0 "[ . 1 . 2]" 1
264 1 24 GLN QB 1 27 ASN H . . 6.380 5.031 4.850 5.134 . 0 0 "[ . 1 . 2]" 1
265 1 24 GLN QB 1 28 LEU MD2 . . 7.480 3.842 2.902 4.989 . 0 0 "[ . 1 . 2]" 1
266 1 24 GLN HE21 1 28 LEU QB . . 6.380 5.334 4.980 5.593 . 0 0 "[ . 1 . 2]" 1
267 1 24 GLN HE21 1 28 LEU MD2 . . 6.600 4.235 3.269 5.247 . 0 0 "[ . 1 . 2]" 1
268 1 24 GLN HE22 1 28 LEU MD2 . . 6.600 4.635 4.041 5.083 . 0 0 "[ . 1 . 2]" 1
269 1 24 GLN QG 1 28 LEU QB . . 7.370 4.193 2.912 5.182 . 0 0 "[ . 1 . 2]" 1
270 1 24 GLN QG 1 28 LEU MD1 . . 7.700 2.675 2.161 3.220 . 0 0 "[ . 1 . 2]" 1
271 1 24 GLN QG 1 28 LEU MD2 . . 7.700 3.224 2.152 4.105 . 0 0 "[ . 1 . 2]" 1
272 1 25 CYS H 1 25 CYS HB2 . . 3.190 2.613 2.527 2.742 . 0 0 "[ . 1 . 2]" 1
273 1 25 CYS H 1 25 CYS HB3 . . 2.860 2.653 2.277 2.862 0.002 3 0 "[ . 1 . 2]" 1
274 1 25 CYS H 1 26 ILE H . . 5.500 3.000 2.885 3.140 . 0 0 "[ . 1 . 2]" 1
275 1 25 CYS HA 1 25 CYS HB2 . . 2.860 2.461 2.301 2.543 . 0 0 "[ . 1 . 2]" 1
276 1 25 CYS HA 1 27 ASN H . . 5.500 4.272 4.203 4.394 . 0 0 "[ . 1 . 2]" 1
277 1 25 CYS HA 1 29 GLU HB3 . . 5.500 5.202 4.836 5.449 . 0 0 "[ . 1 . 2]" 1
278 1 25 CYS HA 1 29 GLU HG2 . . 5.500 3.094 2.487 3.813 . 0 0 "[ . 1 . 2]" 1
279 1 25 CYS HA 1 29 GLU HG3 . . 5.500 4.101 3.327 4.859 . 0 0 "[ . 1 . 2]" 1
280 1 25 CYS HA 1 31 ALA MB . . 6.600 4.568 4.194 4.741 . 0 0 "[ . 1 . 2]" 1
281 1 25 CYS HB2 1 26 ILE H . . 3.850 3.757 3.693 3.825 . 0 0 "[ . 1 . 2]" 1
282 1 25 CYS HB2 1 27 ASN H . . 5.500 5.537 5.523 5.552 0.052 20 0 "[ . 1 . 2]" 1
283 1 25 CYS HB2 1 31 ALA MB . . 5.390 4.508 4.445 4.561 . 0 0 "[ . 1 . 2]" 1
284 1 25 CYS HB2 1 34 GLY HA3 . . 4.510 3.812 3.068 4.073 . 0 0 "[ . 1 . 2]" 1
285 1 25 CYS HB2 1 47 CYS HA . . 5.500 4.622 3.437 5.022 . 0 0 "[ . 1 . 2]" 1
286 1 25 CYS HB3 1 26 ILE H . . 3.190 2.324 2.219 2.437 . 0 0 "[ . 1 . 2]" 1
287 1 25 CYS HB3 1 31 ALA MB . . 6.160 3.812 3.450 4.309 . 0 0 "[ . 1 . 2]" 1
288 1 25 CYS HB3 1 34 GLY HA3 . . 3.190 2.997 2.411 3.236 0.046 10 0 "[ . 1 . 2]" 1
289 1 25 CYS O 1 29 GLU H . . 2.700 1.981 1.861 2.235 . 0 0 "[ . 1 . 2]" 1
290 1 25 CYS O 1 29 GLU N . . 3.000 2.838 2.750 3.027 0.027 16 0 "[ . 1 . 2]" 1
291 1 26 ILE H 1 26 ILE QG . . 3.960 2.281 2.174 2.343 . 0 0 "[ . 1 . 2]" 1
292 1 26 ILE H 1 27 ASN H . . 5.500 2.529 2.451 2.601 . 0 0 "[ . 1 . 2]" 1
293 1 26 ILE HA 1 27 ASN H . . 3.630 3.415 3.375 3.436 . 0 0 "[ . 1 . 2]" 1
294 1 26 ILE HA 1 30 LYS H . . 5.060 4.962 4.690 5.117 0.057 5 0 "[ . 1 . 2]" 1
295 1 26 ILE HA 1 31 ALA H . . 3.410 3.280 2.993 3.425 0.015 18 0 "[ . 1 . 2]" 1
296 1 26 ILE MD 1 27 ASN H . . 6.600 4.448 4.354 4.518 . 0 0 "[ . 1 . 2]" 1
297 1 26 ILE MD 1 32 ARG HA . . 6.600 4.378 3.953 4.556 . 0 0 "[ . 1 . 2]" 1
298 1 26 ILE MD 1 33 HIS HA . . 4.840 3.543 2.876 3.897 . 0 0 "[ . 1 . 2]" 1
299 1 26 ILE QG 1 27 ASN H . . 5.830 2.746 2.648 2.823 . 0 0 "[ . 1 . 2]" 1
300 1 26 ILE QG 1 27 ASN HA . . 4.180 3.545 3.444 3.626 . 0 0 "[ . 1 . 2]" 1
301 1 26 ILE QG 1 32 ARG HA . . 6.380 5.681 4.993 5.778 . 0 0 "[ . 1 . 2]" 1
302 1 26 ILE MG 1 27 ASN H . . 6.600 3.983 3.927 4.036 . 0 0 "[ . 1 . 2]" 1
303 1 26 ILE MG 1 27 ASN HB2 . . 6.600 5.506 5.488 5.525 . 0 0 "[ . 1 . 2]" 1
304 1 27 ASN H 1 27 ASN HB3 . . 3.080 2.421 2.365 2.485 . 0 0 "[ . 1 . 2]" 1
305 1 27 ASN HB2 1 28 LEU H . . 5.500 3.723 3.525 3.783 . 0 0 "[ . 1 . 2]" 1
306 1 27 ASN HB2 1 28 LEU MD1 . . 6.600 4.100 3.875 5.419 . 0 0 "[ . 1 . 2]" 1
307 1 27 ASN HB3 1 27 ASN HD22 . . 4.070 3.770 3.681 3.879 . 0 0 "[ . 1 . 2]" 1
308 1 27 ASN HB3 1 28 LEU H . . 5.500 2.335 2.185 2.431 . 0 0 "[ . 1 . 2]" 1
309 1 27 ASN HB3 1 28 LEU QB . . 6.380 4.127 3.379 4.222 . 0 0 "[ . 1 . 2]" 1
310 1 27 ASN HB3 1 28 LEU MD1 . . 6.600 2.667 2.464 3.993 . 0 0 "[ . 1 . 2]" 1
311 1 27 ASN HB3 1 28 LEU MD2 . . 6.600 4.930 4.743 5.348 . 0 0 "[ . 1 . 2]" 1
312 1 28 LEU H 1 28 LEU HB2 . . 3.300 2.274 2.167 2.327 . 0 0 "[ . 1 . 2]" 1
313 1 28 LEU H 1 28 LEU QB . . 3.070 2.245 2.104 2.297 . 0 0 "[ . 1 . 2]" 1
314 1 28 LEU H 1 28 LEU HB3 . . 3.520 3.499 2.843 3.553 0.033 20 0 "[ . 1 . 2]" 1
315 1 28 LEU H 1 28 LEU HG . . 4.950 4.007 3.898 4.460 . 0 0 "[ . 1 . 2]" 1
316 1 28 LEU H 1 29 GLU H . . 3.080 2.803 2.663 2.975 . 0 0 "[ . 1 . 2]" 1
317 1 28 LEU HA 1 28 LEU MD1 . . 3.740 2.549 2.157 2.825 . 0 0 "[ . 1 . 2]" 1
318 1 28 LEU HA 1 28 LEU HG . . 3.630 2.422 2.249 2.555 . 0 0 "[ . 1 . 2]" 1
319 1 28 LEU QB 1 29 GLU H . . 4.290 2.482 2.294 2.799 . 0 0 "[ . 1 . 2]" 1
320 1 28 LEU QB 1 29 GLU HB3 . . 6.380 3.951 3.750 4.091 . 0 0 "[ . 1 . 2]" 1
321 1 29 GLU H 1 29 GLU HB3 . . 3.410 3.121 2.962 3.330 . 0 0 "[ . 1 . 2]" 1
322 1 29 GLU H 1 29 GLU HG2 . . 3.960 2.435 2.063 2.897 . 0 0 "[ . 1 . 2]" 1
323 1 29 GLU H 1 30 LYS H . . 5.500 4.483 4.400 4.600 . 0 0 "[ . 1 . 2]" 1
324 1 29 GLU H 1 30 LYS HA . . 5.500 5.041 4.807 5.285 . 0 0 "[ . 1 . 2]" 1
325 1 29 GLU H 1 31 ALA H . . 5.280 4.661 4.384 4.899 . 0 0 "[ . 1 . 2]" 1
326 1 29 GLU HA 1 29 GLU HB2 . . 2.750 2.409 2.346 2.479 . 0 0 "[ . 1 . 2]" 1
327 1 29 GLU HA 1 29 GLU HB3 . . 2.750 2.357 2.280 2.415 . 0 0 "[ . 1 . 2]" 1
328 1 29 GLU HA 1 29 GLU HG2 . . 4.000 3.756 3.701 3.799 . 0 0 "[ . 1 . 2]" 1
329 1 29 GLU HA 1 30 LYS QG . . 6.380 3.270 3.003 4.911 . 0 0 "[ . 1 . 2]" 1
330 1 29 GLU HB2 1 29 GLU HG3 . . 2.860 2.366 2.203 2.490 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLU HB2 1 31 ALA MB . . 5.390 4.130 3.923 4.301 . 0 0 "[ . 1 . 2]" 1
332 1 29 GLU HB2 1 49 PHE CZ . . 5.720 5.324 4.746 5.741 0.021 4 0 "[ . 1 . 2]" 1
333 1 29 GLU HB3 1 31 ALA H . . 5.280 4.780 4.570 4.909 . 0 0 "[ . 1 . 2]" 1
334 1 29 GLU HB3 1 31 ALA MB . . 6.600 5.096 4.747 5.302 . 0 0 "[ . 1 . 2]" 1
335 1 29 GLU HG3 1 49 PHE HZ . . 4.070 4.048 3.634 4.145 0.075 14 0 "[ . 1 . 2]" 1
336 1 30 LYS H 1 30 LYS QD . . 5.830 4.268 2.687 4.669 . 0 0 "[ . 1 . 2]" 1
337 1 30 LYS H 1 30 LYS QE . . 6.600 4.861 3.613 5.207 . 0 0 "[ . 1 . 2]" 1
338 1 30 LYS H 1 30 LYS HG2 . . 4.400 2.959 2.680 4.126 . 0 0 "[ . 1 . 2]" 1
339 1 30 LYS H 1 30 LYS QG . . 4.200 2.879 2.638 3.792 . 0 0 "[ . 1 . 2]" 1
340 1 30 LYS H 1 30 LYS HG3 . . 4.400 4.002 3.748 4.422 0.022 5 0 "[ . 1 . 2]" 1
341 1 30 LYS H 1 31 ALA H . . 3.080 2.579 2.443 2.784 . 0 0 "[ . 1 . 2]" 1
342 1 30 LYS HA 1 30 LYS QD . . 4.950 2.479 2.081 3.421 . 0 0 "[ . 1 . 2]" 1
343 1 30 LYS HA 1 30 LYS QG . . 3.610 2.749 2.549 3.228 . 0 0 "[ . 1 . 2]" 1
344 1 30 LYS HB2 1 31 ALA H . . 4.620 4.041 3.961 4.167 . 0 0 "[ . 1 . 2]" 1
345 1 31 ALA HA 1 32 ARG H . . 3.080 2.456 2.348 2.877 . 0 0 "[ . 1 . 2]" 1
346 1 31 ALA HA 1 49 PHE CG . . 5.830 3.826 3.212 4.491 . 0 0 "[ . 1 . 2]" 1
347 1 31 ALA MB 1 32 ARG HA . . 6.600 4.261 4.074 4.321 . 0 0 "[ . 1 . 2]" 1
348 1 31 ALA MB 1 33 HIS H . . 5.830 3.624 3.187 3.983 . 0 0 "[ . 1 . 2]" 1
349 1 31 ALA MB 1 34 GLY HA2 . . 6.600 4.813 4.294 5.118 . 0 0 "[ . 1 . 2]" 1
350 1 31 ALA MB 1 47 CYS HB2 . . 5.500 4.264 3.943 4.421 . 0 0 "[ . 1 . 2]" 1
351 1 31 ALA MB 1 48 TYR H . . 6.600 3.038 2.512 3.634 . 0 0 "[ . 1 . 2]" 1
352 1 31 ALA MB 1 49 PHE CG . . 8.800 3.357 2.772 3.861 . 0 0 "[ . 1 . 2]" 1
353 1 31 ALA MB 1 49 PHE CZ . . 8.800 3.383 2.664 4.604 . 0 0 "[ . 1 . 2]" 1
354 1 31 ALA MB 1 49 PHE HA . . 6.600 3.517 2.917 4.205 . 0 0 "[ . 1 . 2]" 1
355 1 31 ALA MB 1 49 PHE HZ . . 6.600 3.838 3.069 5.277 . 0 0 "[ . 1 . 2]" 1
356 1 31 ALA MB 1 50 PRO HD3 . . 6.600 5.009 4.217 5.459 . 0 0 "[ . 1 . 2]" 1
357 1 32 ARG H 1 32 ARG QB . . 3.580 2.447 2.171 2.585 . 0 0 "[ . 1 . 2]" 1
358 1 32 ARG H 1 32 ARG HG2 . . 5.500 3.003 2.495 4.905 . 0 0 "[ . 1 . 2]" 1
359 1 32 ARG H 1 32 ARG HG3 . . 5.500 3.916 2.928 4.796 . 0 0 "[ . 1 . 2]" 1
360 1 32 ARG H 1 33 HIS H . . 2.860 2.521 2.126 2.841 . 0 0 "[ . 1 . 2]" 1
361 1 32 ARG H 1 49 PHE HA . . 5.500 2.906 2.292 3.500 . 0 0 "[ . 1 . 2]" 1
362 1 32 ARG H 1 50 PRO HD3 . . 5.500 3.717 3.111 4.447 . 0 0 "[ . 1 . 2]" 1
363 1 32 ARG HA 1 32 ARG QD . . 4.400 3.039 2.162 3.944 . 0 0 "[ . 1 . 2]" 1
364 1 32 ARG QB 1 33 HIS QB . . 6.820 4.005 3.703 4.468 . 0 0 "[ . 1 . 2]" 1
365 1 32 ARG QB 1 49 PHE HA . . 6.380 3.881 2.474 4.706 . 0 0 "[ . 1 . 2]" 1
366 1 32 ARG QB 1 50 PRO HD3 . . 6.380 3.522 1.969 4.473 . 0 0 "[ . 1 . 2]" 1
367 1 32 ARG QG 1 33 HIS HE1 . . 5.610 4.818 3.577 5.031 . 0 0 "[ . 1 . 2]" 1
368 1 32 ARG QG 1 49 PHE HA . . 6.380 3.613 2.981 4.569 . 0 0 "[ . 1 . 2]" 1
369 1 32 ARG QG 1 50 PRO HD2 . . 4.510 3.615 2.594 3.964 . 0 0 "[ . 1 . 2]" 1
370 1 32 ARG QG 1 50 PRO HD3 . . 6.380 2.402 2.080 3.343 . 0 0 "[ . 1 . 2]" 1
371 1 33 HIS HA 1 34 GLY H . . 4.000 2.342 2.154 2.425 . 0 0 "[ . 1 . 2]" 1
372 1 33 HIS QB 1 34 GLY H . . 5.170 2.428 2.179 2.814 . 0 0 "[ . 1 . 2]" 1
373 1 33 HIS QB 1 48 TYR CG . . 8.030 4.038 2.830 5.254 . 0 0 "[ . 1 . 2]" 1
374 1 33 HIS HD2 1 35 SER QB . . 6.600 5.148 3.698 5.959 . 0 0 "[ . 1 . 2]" 1
375 1 33 HIS HD2 1 48 TYR CG . . 6.600 4.343 3.006 6.178 . 0 0 "[ . 1 . 2]" 1
376 1 33 HIS HD2 1 48 TYR CZ . . 6.490 5.060 3.378 6.531 0.041 4 0 "[ . 1 . 2]" 1
377 1 34 GLY HA2 1 48 TYR CG . . 5.170 4.421 4.085 4.762 . 0 0 "[ . 1 . 2]" 1
378 1 34 GLY HA2 1 48 TYR CZ . . 5.830 5.081 4.690 5.384 . 0 0 "[ . 1 . 2]" 1
379 1 34 GLY HA2 1 48 TYR H . . 5.500 3.036 2.538 3.420 . 0 0 "[ . 1 . 2]" 1
380 1 34 GLY HA3 1 35 SER H . . 3.080 2.941 2.806 3.095 0.015 19 0 "[ . 1 . 2]" 1
381 1 34 GLY HA3 1 47 CYS HB3 . . 5.500 5.120 4.743 5.586 0.086 16 0 "[ . 1 . 2]" 1
382 1 34 GLY HA3 1 48 TYR CG . . 7.700 6.066 5.781 6.385 . 0 0 "[ . 1 . 2]" 1
383 1 34 GLY HA3 1 48 TYR CZ . . 7.040 6.804 6.373 7.059 0.019 11 0 "[ . 1 . 2]" 1
384 1 35 SER H 1 46 ILE H . . 5.500 3.475 2.795 4.730 . 0 0 "[ . 1 . 2]" 1
385 1 35 SER H 1 47 CYS HA . . 5.500 3.354 2.875 3.661 . 0 0 "[ . 1 . 2]" 1
386 1 35 SER H 1 48 TYR CG . . 7.700 5.803 5.124 6.362 . 0 0 "[ . 1 . 2]" 1
387 1 35 SER H 1 48 TYR CZ . . 6.000 5.282 4.255 6.008 0.008 1 0 "[ . 1 . 2]" 1
388 1 35 SER QB 1 48 TYR CG . . 7.700 5.400 4.595 6.132 . 0 0 "[ . 1 . 2]" 1
389 1 35 SER QB 1 48 TYR CZ . . 8.800 4.109 3.296 4.830 . 0 0 "[ . 1 . 2]" 1
390 1 36 CYS H 1 36 CYS HB2 . . 3.080 2.740 2.206 3.021 . 0 0 "[ . 1 . 2]" 1
391 1 36 CYS HA 1 37 ASN H . . 2.860 2.236 2.157 2.469 . 0 0 "[ . 1 . 2]" 1
392 1 37 ASN H 1 37 ASN QB . . 3.440 2.439 2.197 2.708 . 0 0 "[ . 1 . 2]" 1
393 1 37 ASN H 1 44 LYS H . . 5.500 3.267 2.815 4.019 . 0 0 "[ . 1 . 2]" 1
394 1 37 ASN H 1 45 CYS HA . . 5.500 3.846 3.404 5.171 . 0 0 "[ . 1 . 2]" 1
395 1 37 ASN H 1 46 ILE MG . . 6.600 5.302 4.544 5.556 . 0 0 "[ . 1 . 2]" 1
396 1 37 ASN QB 1 38 TYR H . . 3.850 3.466 3.314 3.550 . 0 0 "[ . 1 . 2]" 1
397 1 37 ASN QB 1 39 VAL QG . . 9.040 3.506 2.221 4.387 . 0 0 "[ . 1 . 2]" 1
398 1 37 ASN QB 1 46 ILE HB . . 4.950 3.564 2.353 4.466 . 0 0 "[ . 1 . 2]" 1
399 1 37 ASN QB 1 46 ILE MD . . 7.480 3.465 2.722 4.436 . 0 0 "[ . 1 . 2]" 1
400 1 37 ASN QB 1 46 ILE HG12 . . 4.180 2.659 2.138 3.553 . 0 0 "[ . 1 . 2]" 1
401 1 37 ASN QB 1 46 ILE HG13 . . 3.960 2.663 2.140 3.351 . 0 0 "[ . 1 . 2]" 1
402 1 37 ASN QB 1 46 ILE MG . . 7.480 4.025 3.207 4.696 . 0 0 "[ . 1 . 2]" 1
403 1 37 ASN QD 1 38 TYR H . . 5.050 2.837 2.234 3.444 . 0 0 "[ . 1 . 2]" 1
404 1 37 ASN QD 1 38 TYR HA . . 5.050 4.330 3.690 4.611 . 0 0 "[ . 1 . 2]" 1
405 1 38 TYR CG 1 43 HIS HA . . 6.600 4.523 4.150 5.265 . 0 0 "[ . 1 . 2]" 1
406 1 38 TYR CG 1 43 HIS HD2 . . 7.700 5.103 4.213 6.732 . 0 0 "[ . 1 . 2]" 1
407 1 38 TYR CZ 1 38 TYR HA . . 6.050 4.744 4.546 5.120 . 0 0 "[ . 1 . 2]" 1
408 1 38 TYR CZ 1 40 PHE H . . 7.700 4.983 4.253 6.466 . 0 0 "[ . 1 . 2]" 1
409 1 38 TYR CZ 1 41 PRO HA . . 6.820 5.076 3.735 6.842 0.022 16 0 "[ . 1 . 2]" 1
410 1 38 TYR CZ 1 42 ALA HA . . 6.930 4.167 3.029 6.389 . 0 0 "[ . 1 . 2]" 1
411 1 38 TYR CZ 1 43 HIS HD2 . . 7.700 6.066 4.557 7.629 . 0 0 "[ . 1 . 2]" 1
412 1 38 TYR H 1 38 TYR HB2 . . 2.970 2.829 2.636 3.027 0.057 5 0 "[ . 1 . 2]" 1
413 1 38 TYR H 1 38 TYR HB3 . . 2.970 2.579 2.378 2.765 . 0 0 "[ . 1 . 2]" 1
414 1 38 TYR H 1 39 VAL QG . . 8.160 3.951 3.511 4.509 . 0 0 "[ . 1 . 2]" 1
415 1 38 TYR HA 1 39 VAL QG . . 8.160 4.222 3.618 4.621 . 0 0 "[ . 1 . 2]" 1
416 1 38 TYR HA 1 43 HIS HA . . 2.970 2.343 2.130 3.033 0.063 7 0 "[ . 1 . 2]" 1
417 1 39 VAL QG 1 40 PHE H . . 8.160 2.368 1.853 3.284 . 0 0 "[ . 1 . 2]" 1
418 1 39 VAL QG 1 41 PRO HA . . 8.160 5.572 5.240 5.898 . 0 0 "[ . 1 . 2]" 1
419 1 39 VAL QG 1 43 HIS HA . . 8.160 5.057 3.172 6.051 . 0 0 "[ . 1 . 2]" 1
420 1 39 VAL QG 1 44 LYS H . . 8.160 4.704 2.367 5.922 . 0 0 "[ . 1 . 2]" 1
421 1 39 VAL QG 1 44 LYS QE . . 9.260 3.216 2.510 4.072 . 0 0 "[ . 1 . 2]" 1
422 1 39 VAL QG 1 46 ILE HG12 . . 8.160 4.797 2.786 6.094 . 0 0 "[ . 1 . 2]" 1
423 1 40 PHE CG 1 41 PRO HA . . 7.700 3.600 2.587 3.978 . 0 0 "[ . 1 . 2]" 1
424 1 40 PHE CG 1 41 PRO HB3 . . 7.040 4.596 3.510 5.117 . 0 0 "[ . 1 . 2]" 1
425 1 40 PHE CG 1 41 PRO HD3 . . 6.490 4.173 3.931 4.504 . 0 0 "[ . 1 . 2]" 1
426 1 40 PHE CG 1 44 LYS QZ . . 6.490 4.332 2.758 5.152 . 0 0 "[ . 1 . 2]" 1
427 1 40 PHE CZ 1 41 PRO HA . . 6.820 5.690 3.819 6.422 . 0 0 "[ . 1 . 2]" 1
428 1 40 PHE CZ 1 41 PRO HB3 . . 6.490 5.639 2.951 6.525 0.035 16 0 "[ . 1 . 2]" 1
429 1 40 PHE CZ 1 41 PRO HD3 . . 6.820 4.891 4.439 5.206 . 0 0 "[ . 1 . 2]" 1
430 1 40 PHE H 1 40 PHE HB3 . . 2.970 2.350 2.232 2.538 . 0 0 "[ . 1 . 2]" 1
431 1 40 PHE HA 1 41 PRO HB2 . . 5.500 4.722 4.634 4.824 . 0 0 "[ . 1 . 2]" 1
432 1 40 PHE HA 1 41 PRO HB3 . . 5.500 4.451 4.356 4.667 . 0 0 "[ . 1 . 2]" 1
433 1 40 PHE HA 1 42 ALA H . . 5.500 3.982 3.012 4.479 . 0 0 "[ . 1 . 2]" 1
434 1 40 PHE HB2 1 41 PRO HA . . 3.410 2.576 2.164 3.459 0.049 14 0 "[ . 1 . 2]" 1
435 1 40 PHE HB3 1 41 PRO HA . . 3.960 3.785 3.564 3.992 0.032 14 0 "[ . 1 . 2]" 1
436 1 41 PRO HD2 1 42 ALA H . . 3.850 2.396 2.200 2.832 . 0 0 "[ . 1 . 2]" 1
437 1 41 PRO HD2 1 42 ALA MB . . 6.600 4.167 3.629 5.048 . 0 0 "[ . 1 . 2]" 1
438 1 41 PRO HD3 1 42 ALA H . . 4.730 3.683 3.596 4.026 . 0 0 "[ . 1 . 2]" 1
439 1 41 PRO HG3 1 42 ALA H . . 4.620 3.708 3.545 4.517 . 0 0 "[ . 1 . 2]" 1
440 1 42 ALA H 1 44 LYS QD . . 6.600 5.771 4.580 5.956 . 0 0 "[ . 1 . 2]" 1
441 1 42 ALA HA 1 43 HIS H . . 5.500 2.443 2.188 2.727 . 0 0 "[ . 1 . 2]" 1
442 1 42 ALA MB 1 43 HIS HB3 . . 6.600 5.210 4.925 5.488 . 0 0 "[ . 1 . 2]" 1
443 1 43 HIS H 1 43 HIS HB2 . . 3.850 2.767 2.179 3.870 0.020 3 0 "[ . 1 . 2]" 1
444 1 43 HIS HA 1 43 HIS HB3 . . 2.640 2.492 2.364 2.666 0.026 14 0 "[ . 1 . 2]" 1
445 1 43 HIS HB2 1 44 LYS H . . 4.180 4.150 3.683 4.281 0.101 20 0 "[ . 1 . 2]" 1
446 1 44 LYS H 1 44 LYS QB . . 3.530 2.812 2.331 3.202 . 0 0 "[ . 1 . 2]" 1
447 1 44 LYS HA 1 44 LYS QB . . 2.670 2.279 2.132 2.475 . 0 0 "[ . 1 . 2]" 1
448 1 44 LYS HA 1 44 LYS HB3 . . 2.860 2.522 2.326 2.968 0.108 20 0 "[ . 1 . 2]" 1
449 1 44 LYS QB 1 45 CYS H . . 4.510 3.060 2.612 3.628 . 0 0 "[ . 1 . 2]" 1
450 1 44 LYS QB 1 46 ILE MD . . 7.480 3.110 2.103 4.279 . 0 0 "[ . 1 . 2]" 1
451 1 44 LYS QB 1 46 ILE HG12 . . 6.380 3.985 2.598 5.006 . 0 0 "[ . 1 . 2]" 1
452 1 44 LYS QD 1 45 CYS H . . 6.600 5.044 4.325 5.474 . 0 0 "[ . 1 . 2]" 1
453 1 44 LYS QD 1 46 ILE MD . . 7.700 2.886 2.517 3.092 . 0 0 "[ . 1 . 2]" 1
454 1 44 LYS QD 1 46 ILE MG . . 7.700 5.503 4.843 5.713 . 0 0 "[ . 1 . 2]" 1
455 1 46 ILE H 1 46 ILE HB . . 2.970 2.559 2.395 2.710 . 0 0 "[ . 1 . 2]" 1
456 1 46 ILE H 1 46 ILE HG12 . . 3.960 2.595 2.191 3.288 . 0 0 "[ . 1 . 2]" 1
457 1 46 ILE H 1 46 ILE HG13 . . 4.840 3.958 3.681 4.433 . 0 0 "[ . 1 . 2]" 1
458 1 46 ILE HA 1 46 ILE MD . . 3.740 2.222 2.137 2.351 . 0 0 "[ . 1 . 2]" 1
459 1 46 ILE HA 1 46 ILE HG12 . . 3.850 3.268 2.998 3.447 . 0 0 "[ . 1 . 2]" 1
460 1 46 ILE HA 1 46 ILE HG13 . . 4.180 3.811 3.720 3.912 . 0 0 "[ . 1 . 2]" 1
461 1 46 ILE HA 1 47 CYS H . . 2.640 2.233 2.127 2.356 . 0 0 "[ . 1 . 2]" 1
462 1 46 ILE HB 1 46 ILE HG13 . . 2.750 2.446 2.376 2.493 . 0 0 "[ . 1 . 2]" 1
463 1 46 ILE HB 1 48 TYR CG . . 7.700 5.685 5.073 6.449 . 0 0 "[ . 1 . 2]" 1
464 1 46 ILE HB 1 48 TYR CZ . . 5.830 4.009 3.199 5.189 . 0 0 "[ . 1 . 2]" 1
465 1 46 ILE MD 1 47 CYS H . . 6.600 3.874 3.491 4.083 . 0 0 "[ . 1 . 2]" 1
466 1 46 ILE HG13 1 46 ILE MG . . 3.740 2.310 2.250 2.406 . 0 0 "[ . 1 . 2]" 1
467 1 46 ILE MG 1 47 CYS H . . 6.600 2.558 2.222 2.879 . 0 0 "[ . 1 . 2]" 1
468 1 46 ILE MG 1 47 CYS HA . . 6.600 3.610 3.217 4.053 . 0 0 "[ . 1 . 2]" 1
469 1 46 ILE MG 1 47 CYS HB3 . . 6.600 4.816 4.640 5.110 . 0 0 "[ . 1 . 2]" 1
470 1 46 ILE MG 1 48 TYR CG . . 8.800 3.724 3.455 3.979 . 0 0 "[ . 1 . 2]" 1
471 1 46 ILE MG 1 48 TYR CZ . . 8.800 2.826 2.582 3.316 . 0 0 "[ . 1 . 2]" 1
472 1 46 ILE MG 1 48 TYR HA . . 6.600 4.348 4.053 4.837 . 0 0 "[ . 1 . 2]" 1
473 1 47 CYS H 1 47 CYS HB2 . . 3.520 3.050 2.841 3.187 . 0 0 "[ . 1 . 2]" 1
474 1 47 CYS H 1 47 CYS HB3 . . 3.410 2.854 2.520 3.124 . 0 0 "[ . 1 . 2]" 1
475 1 47 CYS HA 1 47 CYS HB2 . . 2.860 2.524 2.468 2.607 . 0 0 "[ . 1 . 2]" 1
476 1 47 CYS HB2 1 48 TYR H . . 5.500 4.162 4.088 4.370 . 0 0 "[ . 1 . 2]" 1
477 1 47 CYS HB2 1 49 PHE CG . . 7.700 6.851 6.370 7.450 . 0 0 "[ . 1 . 2]" 1
478 1 47 CYS HB2 1 49 PHE CZ . . 7.700 5.337 4.821 5.813 . 0 0 "[ . 1 . 2]" 1
479 1 47 CYS HB2 1 49 PHE HZ . . 5.500 5.042 4.103 5.571 0.071 20 0 "[ . 1 . 2]" 1
480 1 47 CYS HB3 1 48 TYR H . . 5.500 3.833 3.552 4.276 . 0 0 "[ . 1 . 2]" 1
481 1 47 CYS HB3 1 49 PHE HZ . . 3.960 3.501 2.585 4.025 0.065 6 0 "[ . 1 . 2]" 1
482 1 48 TYR CZ 1 48 TYR HA . . 6.160 5.163 4.950 5.440 . 0 0 "[ . 1 . 2]" 1
483 1 48 TYR H 1 49 PHE H . . 5.500 4.338 4.047 4.492 . 0 0 "[ . 1 . 2]" 1
484 1 48 TYR HA 1 49 PHE CG . . 6.380 4.559 4.110 4.939 . 0 0 "[ . 1 . 2]" 1
485 1 48 TYR HA 1 49 PHE H . . 2.640 2.199 2.152 2.289 . 0 0 "[ . 1 . 2]" 1
486 1 48 TYR QB 1 49 PHE CZ . . 8.800 6.837 5.894 7.471 . 0 0 "[ . 1 . 2]" 1
487 1 48 TYR QB 1 49 PHE H . . 6.600 3.359 2.951 3.758 . 0 0 "[ . 1 . 2]" 1
488 1 49 PHE CG 1 50 PRO HD2 . . 5.830 4.231 3.909 4.658 . 0 0 "[ . 1 . 2]" 1
489 1 49 PHE CG 1 50 PRO HD3 . . 6.270 5.195 4.727 5.492 . 0 0 "[ . 1 . 2]" 1
490 1 49 PHE H 1 49 PHE HB3 . . 3.630 3.681 3.474 3.758 0.128 17 0 "[ . 1 . 2]" 1
491 1 49 PHE HA 1 49 PHE HB3 . . 2.750 2.327 2.215 2.442 . 0 0 "[ . 1 . 2]" 1
492 1 49 PHE HA 1 50 PRO HD2 . . 3.080 2.392 2.202 3.093 0.013 15 0 "[ . 1 . 2]" 1
493 1 49 PHE HA 1 50 PRO HD3 . . 2.640 2.382 2.061 2.619 . 0 0 "[ . 1 . 2]" 1
494 1 49 PHE HB2 1 50 PRO HD2 . . 3.410 3.294 2.209 3.548 0.138 14 0 "[ . 1 . 2]" 1
495 1 49 PHE HB3 1 50 PRO HD3 . . 5.500 3.764 3.495 4.200 . 0 0 "[ . 1 . 2]" 1
496 1 50 PRO HA 1 51 CYS H . . 3.410 2.368 2.194 3.443 0.033 2 0 "[ . 1 . 2]" 1
497 1 50 PRO QB 1 51 CYS H . . 4.240 3.577 2.887 3.960 . 0 0 "[ . 1 . 2]" 1
498 1 51 CYS H 1 51 CYS HB3 . . 3.300 2.733 2.116 3.345 0.045 2 0 "[ . 1 . 2]" 1
499 1 51 CYS HA 1 51 CYS HB2 . . 2.750 2.396 2.242 2.722 . 0 0 "[ . 1 . 2]" 1
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