NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624722 |
5n2o   |
34095 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5n2o
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 372
_Distance_constraint_stats_list.Viol_count 1020
_Distance_constraint_stats_list.Viol_total 1119.996
_Distance_constraint_stats_list.Viol_max 0.122
_Distance_constraint_stats_list.Viol_rms 0.0208
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0549
_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 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 2.422 0.093 6 0 "[ . 1 . 2]"
1 11 VAL 2.692 0.077 2 0 "[ . 1 . 2]"
1 12 SER 0.694 0.073 15 0 "[ . 1 . 2]"
1 13 PHE 4.827 0.097 1 0 "[ . 1 . 2]"
1 14 PHE 3.017 0.098 14 0 "[ . 1 . 2]"
1 15 ALA 0.042 0.021 10 0 "[ . 1 . 2]"
1 16 ARG 1.972 0.092 1 0 "[ . 1 . 2]"
1 17 LEU 1.448 0.092 1 0 "[ . 1 . 2]"
1 18 GLY 1.136 0.077 11 0 "[ . 1 . 2]"
1 19 CYS 2.525 0.079 10 0 "[ . 1 . 2]"
1 22 CYS 0.177 0.053 17 0 "[ . 1 . 2]"
1 23 LEU 2.680 0.094 2 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 TYR 0.015 0.008 20 0 "[ . 1 . 2]"
1 26 PHE 6.239 0.107 8 0 "[ . 1 . 2]"
1 27 THR 2.248 0.089 13 0 "[ . 1 . 2]"
1 28 THR 0.141 0.075 16 0 "[ . 1 . 2]"
1 29 GLN 0.768 0.080 8 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 1.898 0.099 4 0 "[ . 1 . 2]"
1 32 THR 1.423 0.094 20 0 "[ . 1 . 2]"
1 33 THR 7.967 0.122 9 0 "[ . 1 . 2]"
1 34 ILE 2.794 0.097 1 0 "[ . 1 . 2]"
1 35 TYR 1.437 0.090 18 0 "[ . 1 . 2]"
1 36 GLN 3.291 0.094 6 0 "[ . 1 . 2]"
1 37 ILE 4.332 0.098 14 0 "[ . 1 . 2]"
1 38 GLU 0.166 0.060 10 0 "[ . 1 . 2]"
1 39 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TYR 3.171 0.122 9 0 "[ . 1 . 2]"
1 41 SER 1.244 0.066 16 0 "[ . 1 . 2]"
1 42 MET 0.308 0.064 11 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 0.728 0.062 18 0 "[ . 1 . 2]"
1 45 LEU 1.713 0.089 13 0 "[ . 1 . 2]"
1 46 ALA 1.011 0.089 13 0 "[ . 1 . 2]"
1 47 SER 0.627 0.069 12 0 "[ . 1 . 2]"
1 48 LEU 1.086 0.115 10 0 "[ . 1 . 2]"
1 49 LYS 0.406 0.067 3 0 "[ . 1 . 2]"
1 50 ILE 3.816 0.083 11 0 "[ . 1 . 2]"
1 51 PRO 0.099 0.048 10 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 0.437 0.048 4 0 "[ . 1 . 2]"
1 54 PHE 2.994 0.081 5 0 "[ . 1 . 2]"
1 55 ARG 2.290 0.075 4 0 "[ . 1 . 2]"
1 56 HIS 0.441 0.059 13 0 "[ . 1 . 2]"
1 57 ALA 1.844 0.067 2 0 "[ . 1 . 2]"
1 58 ILE 5.063 0.082 7 0 "[ . 1 . 2]"
1 59 TRP 7.035 0.092 4 0 "[ . 1 . 2]"
1 60 LYS 0.180 0.064 10 0 "[ . 1 . 2]"
1 61 GLY 1.410 0.070 7 0 "[ . 1 . 2]"
1 62 ILE 1.013 0.092 4 0 "[ . 1 . 2]"
1 63 LEU 2.678 0.082 17 0 "[ . 1 . 2]"
1 64 ASP 0.566 0.078 16 0 "[ . 1 . 2]"
1 65 HIS 1.012 0.090 14 0 "[ . 1 . 2]"
1 66 ARG 3.171 0.090 14 0 "[ . 1 . 2]"
1 67 GLN 2.325 0.087 19 0 "[ . 1 . 2]"
1 68 LEU 1.841 0.075 19 0 "[ . 1 . 2]"
1 69 HIS 0.871 0.074 2 0 "[ . 1 . 2]"
1 70 ASP 0.060 0.030 4 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 26 PHE QD 1 32 THR HB . . 3.960 2.391 2.102 3.083 . 0 0 "[ . 1 . 2]" 1
2 1 26 PHE QD 1 32 THR MG . . 3.550 3.232 2.284 3.644 0.094 20 0 "[ . 1 . 2]" 1
3 1 59 TRP HH2 1 63 LEU MD1 . . 5.500 3.697 3.237 4.712 . 0 0 "[ . 1 . 2]" 1
4 1 59 TRP HH2 1 63 LEU MD2 . . 5.500 3.848 2.703 4.393 . 0 0 "[ . 1 . 2]" 1
5 1 26 PHE QE 1 50 ILE QG . . 4.010 3.770 3.184 4.093 0.083 11 0 "[ . 1 . 2]" 1
6 1 26 PHE QE 1 58 ILE MG . . 4.620 3.829 3.308 4.456 . 0 0 "[ . 1 . 2]" 1
7 1 26 PHE QE 1 37 ILE MG . . 3.630 3.358 2.815 3.690 0.060 13 0 "[ . 1 . 2]" 1
8 1 26 PHE QE 1 37 ILE MD . . 4.980 4.956 4.411 5.076 0.096 7 0 "[ . 1 . 2]" 1
9 1 58 ILE MG 1 59 TRP HD1 . . 4.440 4.386 4.132 4.522 0.082 7 0 "[ . 1 . 2]" 1
10 1 59 TRP HD1 1 62 ILE MG . . 3.740 3.576 3.083 3.832 0.092 4 0 "[ . 1 . 2]" 1
11 1 45 LEU QD 1 59 TRP HD1 . . 4.050 2.098 1.927 2.656 . 0 0 "[ . 1 . 2]" 1
12 1 59 TRP HA 1 59 TRP HD1 . . 4.680 2.643 2.427 2.816 . 0 0 "[ . 1 . 2]" 1
13 1 41 SER HA 1 59 TRP HD1 . . 4.440 4.447 4.234 4.506 0.066 16 0 "[ . 1 . 2]" 1
14 1 13 PHE QE 1 17 LEU MD1 . . 4.000 2.687 2.264 3.107 . 0 0 "[ . 1 . 2]" 1
15 1 13 PHE QE 1 17 LEU MD2 . . 4.000 2.843 2.172 3.668 . 0 0 "[ . 1 . 2]" 1
16 1 13 PHE QE 1 62 ILE QG . . 4.360 4.013 3.018 4.437 0.077 14 0 "[ . 1 . 2]" 1
17 1 13 PHE QE 1 62 ILE MG . . 4.190 3.726 3.072 4.007 . 0 0 "[ . 1 . 2]" 1
18 1 13 PHE QE 1 62 ILE HB . . 3.630 2.641 2.233 3.170 . 0 0 "[ . 1 . 2]" 1
19 1 13 PHE QE 1 62 ILE HA . . 3.850 3.493 3.168 3.872 0.022 5 0 "[ . 1 . 2]" 1
20 1 13 PHE QE 1 14 PHE QD . . 4.880 4.216 3.790 4.467 . 0 0 "[ . 1 . 2]" 1
21 1 65 HIS HD2 1 66 ARG HA . . 4.470 4.388 3.581 4.535 0.065 1 0 "[ . 1 . 2]" 1
22 1 65 HIS HD2 1 66 ARG QB . . 4.580 3.896 3.000 4.196 . 0 0 "[ . 1 . 2]" 1
23 1 14 PHE QE 1 37 ILE MG . . 4.810 4.732 3.797 4.908 0.098 14 0 "[ . 1 . 2]" 1
24 1 40 TYR QE 1 48 LEU MD1 . . 5.140 4.001 3.504 4.481 . 0 0 "[ . 1 . 2]" 1
25 1 14 PHE QE 1 58 ILE MG . . 4.280 3.991 3.670 4.292 0.012 3 0 "[ . 1 . 2]" 1
26 1 40 TYR HA 1 40 TYR QD . . 3.360 2.107 2.002 2.265 . 0 0 "[ . 1 . 2]" 1
27 1 37 ILE HA 1 40 TYR QD . . 5.340 3.142 2.829 3.596 . 0 0 "[ . 1 . 2]" 1
28 1 14 PHE HA 1 14 PHE QD . . 3.290 2.247 2.057 2.539 . 0 0 "[ . 1 . 2]" 1
29 1 13 PHE QD 1 34 ILE MG . . 4.440 4.202 3.474 4.520 0.080 8 0 "[ . 1 . 2]" 1
30 1 56 HIS HA 1 59 TRP HE3 . . 4.620 4.540 4.209 4.679 0.059 13 0 "[ . 1 . 2]" 1
31 1 13 PHE QD 1 14 PHE QE . . 3.750 3.076 2.634 3.779 0.029 10 0 "[ . 1 . 2]" 1
32 1 13 PHE QD 1 14 PHE QD . . 3.850 2.827 2.219 3.882 0.032 10 0 "[ . 1 . 2]" 1
33 1 32 THR H 1 32 THR MG . . 3.160 1.868 1.752 1.992 . 0 0 "[ . 1 . 2]" 1
34 1 9 SER H 1 9 SER HB3 . . 4.000 3.502 2.839 3.961 . 0 0 "[ . 1 . 2]" 1
35 1 9 SER H 1 9 SER HB2 . . 4.000 3.102 2.468 3.707 . 0 0 "[ . 1 . 2]" 1
36 1 13 PHE H 1 13 PHE HB3 . . 3.010 2.480 2.303 2.630 . 0 0 "[ . 1 . 2]" 1
37 1 13 PHE H 1 13 PHE HB2 . . 3.010 2.540 2.346 2.725 . 0 0 "[ . 1 . 2]" 1
38 1 14 PHE H 1 14 PHE HB2 . . 3.600 2.225 2.117 2.376 . 0 0 "[ . 1 . 2]" 1
39 1 16 ARG H 1 16 ARG HG2 . . 3.640 2.979 1.988 3.684 0.044 11 0 "[ . 1 . 2]" 1
40 1 16 ARG H 1 16 ARG HG3 . . 3.640 3.012 2.426 3.685 0.045 10 0 "[ . 1 . 2]" 1
41 1 17 LEU H 1 17 LEU HG . . 3.210 2.479 2.171 2.886 . 0 0 "[ . 1 . 2]" 1
42 1 17 LEU H 1 17 LEU QB . . 2.680 2.531 2.421 2.675 . 0 0 "[ . 1 . 2]" 1
43 1 22 CYS H 1 22 CYS HB2 . . 3.730 2.636 2.343 2.839 . 0 0 "[ . 1 . 2]" 1
44 1 22 CYS H 1 22 CYS HB3 . . 3.730 3.523 2.773 3.680 . 0 0 "[ . 1 . 2]" 1
45 1 23 LEU H 1 23 LEU HG . . 3.070 2.899 2.714 3.101 0.031 10 0 "[ . 1 . 2]" 1
46 1 25 TYR H 1 25 TYR HB2 . . 3.780 2.594 2.513 2.730 . 0 0 "[ . 1 . 2]" 1
47 1 25 TYR H 1 25 TYR HB3 . . 3.780 3.619 3.579 3.654 . 0 0 "[ . 1 . 2]" 1
48 1 27 THR H 1 27 THR HB . . 3.770 3.241 2.438 3.656 . 0 0 "[ . 1 . 2]" 1
49 1 28 THR H 1 28 THR MG . . 3.890 3.630 2.841 3.783 . 0 0 "[ . 1 . 2]" 1
50 1 31 LEU HA 1 32 THR H . . 3.060 2.993 2.835 3.079 0.019 12 0 "[ . 1 . 2]" 1
51 1 32 THR H 1 32 THR HB . . 4.040 3.136 2.679 3.579 . 0 0 "[ . 1 . 2]" 1
52 1 33 THR H 1 33 THR HB . . 4.090 3.710 3.625 3.812 . 0 0 "[ . 1 . 2]" 1
53 1 40 TYR H 1 40 TYR HB3 . . 3.630 3.580 3.510 3.628 . 0 0 "[ . 1 . 2]" 1
54 1 45 LEU H 1 45 LEU QB . . 2.820 2.476 2.144 2.724 . 0 0 "[ . 1 . 2]" 1
55 1 45 LEU H 1 45 LEU QD . . 3.280 2.758 2.112 3.328 0.048 8 0 "[ . 1 . 2]" 1
56 1 47 SER H 1 47 SER QB . . 3.150 2.212 2.098 2.545 . 0 0 "[ . 1 . 2]" 1
57 1 44 ASP HA 1 47 SER H . . 4.040 3.320 3.097 3.534 . 0 0 "[ . 1 . 2]" 1
58 1 54 PHE H 1 54 PHE HB2 . . 3.600 3.116 2.761 3.423 . 0 0 "[ . 1 . 2]" 1
59 1 54 PHE H 1 54 PHE HB3 . . 3.600 2.375 2.135 2.669 . 0 0 "[ . 1 . 2]" 1
60 1 56 HIS H 1 56 HIS QB . . 3.490 2.251 2.053 2.529 . 0 0 "[ . 1 . 2]" 1
61 1 59 TRP H 1 59 TRP HB2 . . 3.000 2.239 2.179 2.288 . 0 0 "[ . 1 . 2]" 1
62 1 60 LYS H 1 60 LYS HB2 . . 3.070 2.458 2.343 2.599 . 0 0 "[ . 1 . 2]" 1
63 1 60 LYS H 1 60 LYS QG . . 4.520 4.000 3.898 4.066 . 0 0 "[ . 1 . 2]" 1
64 1 65 HIS H 1 65 HIS HB3 . . 3.010 2.420 2.308 2.546 . 0 0 "[ . 1 . 2]" 1
65 1 68 LEU H 1 68 LEU HA . . 2.910 2.945 2.888 2.972 0.062 16 0 "[ . 1 . 2]" 1
66 1 68 LEU H 1 68 LEU HG . . 3.580 2.875 2.475 3.642 0.062 14 0 "[ . 1 . 2]" 1
67 1 69 HIS H 1 69 HIS HB3 . . 3.360 3.187 2.725 3.434 0.074 2 0 "[ . 1 . 2]" 1
68 1 11 VAL H 1 11 VAL MG1 . . 3.140 2.389 2.162 2.604 . 0 0 "[ . 1 . 2]" 1
69 1 67 GLN H 1 67 GLN QG . . 3.860 3.690 2.574 3.947 0.087 19 0 "[ . 1 . 2]" 1
70 1 67 GLN H 1 67 GLN QB . . 2.880 2.233 2.143 2.472 . 0 0 "[ . 1 . 2]" 1
71 1 19 CYS H 1 19 CYS QB . . 3.260 2.474 2.085 2.668 . 0 0 "[ . 1 . 2]" 1
72 1 26 PHE H 1 26 PHE QB . . 2.780 2.047 1.925 2.165 . 0 0 "[ . 1 . 2]" 1
73 1 39 HIS H 1 39 HIS QB . . 3.690 2.447 2.272 2.827 . 0 0 "[ . 1 . 2]" 1
74 1 48 LEU H 1 48 LEU MD2 . . 4.050 3.788 3.384 4.068 0.018 11 0 "[ . 1 . 2]" 1
75 1 69 HIS HA 1 70 ASP H . . 3.210 2.523 2.030 3.189 . 0 0 "[ . 1 . 2]" 1
76 1 69 HIS HB2 1 70 ASP H . . 4.570 4.132 3.405 4.600 0.030 4 0 "[ . 1 . 2]" 1
77 1 69 HIS HB3 1 70 ASP H . . 4.570 3.309 2.073 4.313 . 0 0 "[ . 1 . 2]" 1
78 1 68 LEU HG 1 69 HIS H . . 5.330 4.630 2.579 5.107 . 0 0 "[ . 1 . 2]" 1
79 1 68 LEU H 1 69 HIS H . . 3.490 2.464 2.152 2.713 . 0 0 "[ . 1 . 2]" 1
80 1 66 ARG QB 1 68 LEU H . . 5.340 5.151 4.895 5.384 0.044 8 0 "[ . 1 . 2]" 1
81 1 66 ARG H 1 67 GLN H . . 3.310 2.708 2.512 2.862 . 0 0 "[ . 1 . 2]" 1
82 1 64 ASP H 1 66 ARG H . . 4.270 4.274 4.149 4.334 0.064 12 0 "[ . 1 . 2]" 1
83 1 63 LEU HA 1 66 ARG H . . 3.750 3.696 3.449 3.807 0.057 19 0 "[ . 1 . 2]" 1
84 1 62 ILE HA 1 66 ARG H . . 4.600 3.809 3.603 4.180 . 0 0 "[ . 1 . 2]" 1
85 1 66 ARG H 1 68 LEU QB . . 5.500 5.480 4.871 5.575 0.075 19 0 "[ . 1 . 2]" 1
86 1 63 LEU QB 1 66 ARG H . . 5.290 5.245 5.061 5.345 0.055 13 0 "[ . 1 . 2]" 1
87 1 65 HIS H 1 66 ARG H . . 3.140 2.735 2.592 2.843 . 0 0 "[ . 1 . 2]" 1
88 1 62 ILE HA 1 65 HIS H . . 3.740 3.101 2.941 3.324 . 0 0 "[ . 1 . 2]" 1
89 1 64 ASP HB3 1 65 HIS H . . 4.110 3.109 2.599 3.621 . 0 0 "[ . 1 . 2]" 1
90 1 65 HIS H 1 67 GLN QB . . 5.450 4.651 4.212 5.440 . 0 0 "[ . 1 . 2]" 1
91 1 65 HIS H 1 66 ARG QB . . 5.140 5.014 4.887 5.200 0.060 14 0 "[ . 1 . 2]" 1
92 1 65 HIS H 1 66 ARG QG . . 4.630 4.162 3.826 4.720 0.090 14 0 "[ . 1 . 2]" 1
93 1 62 ILE QG 1 65 HIS H . . 5.490 4.833 4.231 5.379 . 0 0 "[ . 1 . 2]" 1
94 1 63 LEU H 1 64 ASP H . . 3.160 2.564 2.502 2.646 . 0 0 "[ . 1 . 2]" 1
95 1 60 LYS HA 1 64 ASP H . . 4.080 3.869 3.647 4.090 0.010 16 0 "[ . 1 . 2]" 1
96 1 63 LEU H 1 63 LEU MD1 . . 4.250 3.847 2.507 4.151 . 0 0 "[ . 1 . 2]" 1
97 1 62 ILE H 1 63 LEU H . . 3.270 2.648 2.559 2.800 . 0 0 "[ . 1 . 2]" 1
98 1 62 ILE H 1 64 ASP H . . 4.290 3.898 3.811 4.012 . 0 0 "[ . 1 . 2]" 1
99 1 61 GLY H 1 63 LEU H . . 4.240 4.269 4.196 4.305 0.065 18 0 "[ . 1 . 2]" 1
100 1 59 TRP HA 1 61 GLY H . . 4.550 4.383 4.248 4.585 0.035 4 0 "[ . 1 . 2]" 1
101 1 58 ILE HA 1 61 GLY H . . 3.940 3.619 3.272 3.977 0.037 11 0 "[ . 1 . 2]" 1
102 1 56 HIS HA 1 60 LYS H . . 5.500 3.486 3.236 3.752 . 0 0 "[ . 1 . 2]" 1
103 1 59 TRP HB3 1 60 LYS H . . 4.740 2.596 2.419 2.813 . 0 0 "[ . 1 . 2]" 1
104 1 59 TRP HB2 1 60 LYS H . . 4.740 3.707 3.582 3.805 . 0 0 "[ . 1 . 2]" 1
105 1 58 ILE H 1 59 TRP H . . 3.220 2.733 2.622 2.827 . 0 0 "[ . 1 . 2]" 1
106 1 57 ALA HA 1 59 TRP H . . 4.860 4.789 4.591 4.903 0.043 18 0 "[ . 1 . 2]" 1
107 1 55 ARG HA 1 59 TRP H . . 4.320 3.883 3.735 4.105 . 0 0 "[ . 1 . 2]" 1
108 1 55 ARG HA 1 58 ILE H . . 4.080 3.600 3.415 3.825 . 0 0 "[ . 1 . 2]" 1
109 1 55 ARG QB 1 56 HIS H . . 4.140 2.884 2.299 3.683 . 0 0 "[ . 1 . 2]" 1
110 1 53 GLN HA 1 55 ARG H . . 5.250 5.022 4.682 5.240 . 0 0 "[ . 1 . 2]" 1
111 1 54 PHE HB3 1 55 ARG H . . 4.380 2.825 2.570 3.116 . 0 0 "[ . 1 . 2]" 1
112 1 54 PHE HB2 1 55 ARG H . . 4.380 4.122 3.938 4.333 . 0 0 "[ . 1 . 2]" 1
113 1 50 ILE HB 1 55 ARG H . . 5.500 4.776 4.544 5.008 . 0 0 "[ . 1 . 2]" 1
114 1 55 ARG H 1 57 ALA MB . . 5.240 4.981 4.763 5.126 . 0 0 "[ . 1 . 2]" 1
115 1 54 PHE H 1 55 ARG H . . 2.840 2.228 1.929 2.689 . 0 0 "[ . 1 . 2]" 1
116 1 48 LEU H 1 49 LYS H . . 3.180 2.914 2.630 3.217 0.037 8 0 "[ . 1 . 2]" 1
117 1 47 SER H 1 49 LYS H . . 5.070 4.388 4.195 4.749 . 0 0 "[ . 1 . 2]" 1
118 1 45 LEU H 1 47 SER H . . 5.500 4.171 3.937 4.403 . 0 0 "[ . 1 . 2]" 1
119 1 44 ASP HA 1 46 ALA H . . 4.810 4.447 4.010 4.643 . 0 0 "[ . 1 . 2]" 1
120 1 44 ASP HB3 1 46 ALA H . . 5.500 5.360 4.895 5.551 0.051 16 0 "[ . 1 . 2]" 1
121 1 46 ALA H 1 48 LEU QB . . 5.500 5.036 4.845 5.271 . 0 0 "[ . 1 . 2]" 1
122 1 42 MET HA 1 45 LEU H . . 4.060 3.499 3.236 3.895 . 0 0 "[ . 1 . 2]" 1
123 1 44 ASP HB2 1 45 LEU H . . 4.140 2.990 2.388 3.760 . 0 0 "[ . 1 . 2]" 1
124 1 42 MET H 1 44 ASP H . . 4.890 4.652 4.410 4.937 0.047 16 0 "[ . 1 . 2]" 1
125 1 44 ASP H 1 46 ALA H . . 4.530 4.115 3.748 4.441 . 0 0 "[ . 1 . 2]" 1
126 1 41 SER H 1 44 ASP H . . 3.990 3.849 3.340 4.046 0.056 1 0 "[ . 1 . 2]" 1
127 1 41 SER HA 1 44 ASP H . . 5.150 4.933 4.686 5.204 0.054 16 0 "[ . 1 . 2]" 1
128 1 44 ASP H 1 45 LEU QB . . 4.900 4.579 4.318 4.895 . 0 0 "[ . 1 . 2]" 1
129 1 42 MET QG 1 43 ASP H . . 5.500 3.179 2.364 4.392 . 0 0 "[ . 1 . 2]" 1
130 1 41 SER HA 1 42 MET H . . 3.260 2.507 2.388 2.630 . 0 0 "[ . 1 . 2]" 1
131 1 40 TYR HA 1 41 SER H . . 2.940 2.180 2.095 2.345 . 0 0 "[ . 1 . 2]" 1
132 1 40 TYR HB2 1 41 SER H . . 4.650 4.529 4.103 4.612 . 0 0 "[ . 1 . 2]" 1
133 1 40 TYR HB3 1 41 SER H . . 4.650 3.760 2.863 4.023 . 0 0 "[ . 1 . 2]" 1
134 1 39 HIS H 1 40 TYR H . . 3.550 2.061 1.934 2.343 . 0 0 "[ . 1 . 2]" 1
135 1 40 TYR H 1 41 SER H . . 4.680 4.345 4.103 4.694 0.014 2 0 "[ . 1 . 2]" 1
136 1 38 GLU HA 1 40 TYR H . . 4.780 4.702 4.391 4.840 0.060 10 0 "[ . 1 . 2]" 1
137 1 34 ILE HA 1 38 GLU H . . 5.500 4.693 4.388 5.184 . 0 0 "[ . 1 . 2]" 1
138 1 34 ILE HA 1 37 ILE H . . 4.290 3.701 3.427 4.014 . 0 0 "[ . 1 . 2]" 1
139 1 10 ILE H 1 34 ILE H . . 4.000 3.862 3.607 4.047 0.047 1 0 "[ . 1 . 2]" 1
140 1 9 SER HA 1 34 ILE H . . 3.900 3.153 2.757 3.760 . 0 0 "[ . 1 . 2]" 1
141 1 10 ILE HA 1 34 ILE H . . 5.500 5.099 4.565 5.469 . 0 0 "[ . 1 . 2]" 1
142 1 32 THR HA 1 33 THR H . . 3.240 2.244 2.165 2.347 . 0 0 "[ . 1 . 2]" 1
143 1 32 THR H 1 33 THR HA . . 5.440 5.465 5.390 5.498 0.058 9 0 "[ . 1 . 2]" 1
144 1 30 GLY H 1 31 LEU H . . 3.160 2.612 2.395 2.793 . 0 0 "[ . 1 . 2]" 1
145 1 28 THR HB 1 29 GLN H . . 3.570 3.040 2.714 3.645 0.075 16 0 "[ . 1 . 2]" 1
146 1 28 THR MG 1 29 GLN H . . 4.080 3.613 2.553 4.055 . 0 0 "[ . 1 . 2]" 1
147 1 25 TYR H 1 27 THR H . . 4.870 4.363 4.076 4.543 . 0 0 "[ . 1 . 2]" 1
148 1 23 LEU HA 1 27 THR H . . 4.200 3.929 3.658 4.112 . 0 0 "[ . 1 . 2]" 1
149 1 26 PHE H 1 26 PHE QD . . 3.340 2.843 2.743 3.009 . 0 0 "[ . 1 . 2]" 1
150 1 23 LEU HA 1 26 PHE H . . 4.000 3.427 3.181 3.619 . 0 0 "[ . 1 . 2]" 1
151 1 25 TYR HB2 1 26 PHE H . . 3.880 2.453 2.313 2.651 . 0 0 "[ . 1 . 2]" 1
152 1 26 PHE H 1 27 THR MG . . 4.580 4.452 4.187 4.635 0.055 11 0 "[ . 1 . 2]" 1
153 1 23 LEU HG 1 24 ASP H . . 3.650 2.261 2.120 2.404 . 0 0 "[ . 1 . 2]" 1
154 1 19 CYS HA 1 23 LEU H . . 5.500 5.498 5.266 5.579 0.079 10 0 "[ . 1 . 2]" 1
155 1 22 CYS HB2 1 23 LEU H . . 5.500 3.062 2.644 3.990 . 0 0 "[ . 1 . 2]" 1
156 1 18 GLY H 1 19 CYS H . . 2.950 2.072 1.809 2.253 . 0 0 "[ . 1 . 2]" 1
157 1 14 PHE HA 1 19 CYS H . . 4.000 3.481 3.139 3.906 . 0 0 "[ . 1 . 2]" 1
158 1 18 GLY H 1 19 CYS HA . . 4.700 4.749 4.539 4.777 0.077 11 0 "[ . 1 . 2]" 1
159 1 18 GLY H 1 19 CYS QB . . 5.430 4.185 3.596 4.491 . 0 0 "[ . 1 . 2]" 1
160 1 17 LEU HG 1 18 GLY H . . 5.150 4.451 4.071 4.740 . 0 0 "[ . 1 . 2]" 1
161 1 16 ARG H 1 17 LEU H . . 3.000 2.678 2.448 2.895 . 0 0 "[ . 1 . 2]" 1
162 1 14 PHE HA 1 17 LEU H . . 3.610 3.203 2.957 3.566 . 0 0 "[ . 1 . 2]" 1
163 1 16 ARG HB3 1 17 LEU H . . 3.640 3.575 3.320 3.706 0.066 1 0 "[ . 1 . 2]" 1
164 1 16 ARG HB2 1 17 LEU H . . 3.640 2.753 2.503 3.328 . 0 0 "[ . 1 . 2]" 1
165 1 16 ARG HG3 1 17 LEU H . . 4.870 4.574 2.192 4.935 0.065 12 0 "[ . 1 . 2]" 1
166 1 17 LEU H 1 19 CYS QB . . 5.500 5.267 4.898 5.571 0.071 17 0 "[ . 1 . 2]" 1
167 1 13 PHE HA 1 16 ARG H . . 4.490 3.501 3.285 3.718 . 0 0 "[ . 1 . 2]" 1
168 1 15 ALA H 1 17 LEU H . . 4.450 4.208 4.026 4.471 0.021 10 0 "[ . 1 . 2]" 1
169 1 14 PHE HB2 1 15 ALA H . . 3.860 2.907 2.696 3.004 . 0 0 "[ . 1 . 2]" 1
170 1 13 PHE H 1 14 PHE H . . 3.320 2.703 2.533 2.797 . 0 0 "[ . 1 . 2]" 1
171 1 11 VAL HA 1 14 PHE H . . 4.220 3.699 3.537 3.912 . 0 0 "[ . 1 . 2]" 1
172 1 14 PHE H 1 15 ALA MB . . 4.480 4.393 4.146 4.466 . 0 0 "[ . 1 . 2]" 1
173 1 10 ILE H 1 13 PHE H . . 5.120 5.070 4.843 5.182 0.062 14 0 "[ . 1 . 2]" 1
174 1 11 VAL HA 1 13 PHE H . . 4.720 4.493 4.333 4.610 . 0 0 "[ . 1 . 2]" 1
175 1 11 VAL MG2 1 13 PHE H . . 5.500 4.309 4.169 4.449 . 0 0 "[ . 1 . 2]" 1
176 1 11 VAL H 1 12 SER H . . 3.070 2.950 2.840 3.064 . 0 0 "[ . 1 . 2]" 1
177 1 10 ILE HA 1 12 SER H . . 5.470 4.200 3.982 4.375 . 0 0 "[ . 1 . 2]" 1
178 1 12 SER H 1 13 PHE HB2 . . 5.500 5.061 4.776 5.269 . 0 0 "[ . 1 . 2]" 1
179 1 12 SER H 1 13 PHE HB3 . . 5.500 4.892 4.623 5.102 . 0 0 "[ . 1 . 2]" 1
180 1 66 ARG QB 1 67 GLN H . . 4.080 3.739 3.462 3.863 . 0 0 "[ . 1 . 2]" 1
181 1 11 VAL MG2 1 12 SER H . . 4.090 2.038 1.951 2.186 . 0 0 "[ . 1 . 2]" 1
182 1 10 ILE H 1 11 VAL H . . 3.280 2.814 2.652 2.976 . 0 0 "[ . 1 . 2]" 1
183 1 9 SER H 1 10 ILE H . . 4.630 4.312 4.132 4.475 . 0 0 "[ . 1 . 2]" 1
184 1 9 SER HA 1 10 ILE H . . 2.920 2.458 2.270 2.639 . 0 0 "[ . 1 . 2]" 1
185 1 48 LEU H 1 50 ILE H . . 3.850 3.670 3.438 3.899 0.049 15 0 "[ . 1 . 2]" 1
186 1 49 LYS HA 1 50 ILE H . . 3.440 3.043 2.610 3.314 . 0 0 "[ . 1 . 2]" 1
187 1 50 ILE H 1 50 ILE QG . . 2.780 2.155 1.897 2.472 . 0 0 "[ . 1 . 2]" 1
188 1 50 ILE H 1 50 ILE MD . . 3.810 3.284 2.798 3.816 0.006 10 0 "[ . 1 . 2]" 1
189 1 49 LYS H 1 49 LYS QD . . 5.500 3.142 2.569 4.955 . 0 0 "[ . 1 . 2]" 1
190 1 47 SER QB 1 49 LYS H . . 5.500 4.512 4.350 4.644 . 0 0 "[ . 1 . 2]" 1
191 1 49 LYS QB 1 50 ILE H . . 4.280 3.780 3.462 3.986 . 0 0 "[ . 1 . 2]" 1
192 1 47 SER HA 1 50 ILE H . . 5.500 5.460 5.152 5.569 0.069 12 0 "[ . 1 . 2]" 1
193 1 48 LEU HA 1 50 ILE H . . 5.500 4.567 4.282 5.009 . 0 0 "[ . 1 . 2]" 1
194 1 47 SER QB 1 48 LEU H . . 3.550 2.870 2.567 3.542 . 0 0 "[ . 1 . 2]" 1
195 1 48 LEU H 1 49 LYS HA . . 5.100 4.996 4.747 5.167 0.067 3 0 "[ . 1 . 2]" 1
196 1 45 LEU QD 1 46 ALA H . . 4.040 4.045 3.897 4.129 0.089 13 0 "[ . 1 . 2]" 1
197 1 67 GLN H 1 67 GLN HA . . 2.880 2.901 2.820 2.940 0.060 11 0 "[ . 1 . 2]" 1
198 1 68 LEU H 1 69 HIS HA . . 5.260 5.046 4.325 5.312 0.052 3 0 "[ . 1 . 2]" 1
199 1 67 GLN QG 1 68 LEU H . . 4.690 3.820 2.661 4.534 . 0 0 "[ . 1 . 2]" 1
200 1 60 LYS QG 1 61 GLY H . . 4.330 3.932 3.608 4.394 0.064 10 0 "[ . 1 . 2]" 1
201 1 17 LEU MD2 1 61 GLY H . . 4.940 4.561 3.941 4.789 . 0 0 "[ . 1 . 2]" 1
202 1 17 LEU MD1 1 61 GLY H . . 4.940 4.427 4.072 4.953 0.013 15 0 "[ . 1 . 2]" 1
203 1 42 MET H 1 59 TRP HE1 . . 4.590 4.166 3.410 4.654 0.064 11 0 "[ . 1 . 2]" 1
204 1 40 TYR H 1 40 TYR QD . . 3.640 3.633 3.476 3.720 0.080 13 0 "[ . 1 . 2]" 1
205 1 13 PHE H 1 13 PHE QD . . 4.330 4.220 4.072 4.304 . 0 0 "[ . 1 . 2]" 1
206 1 10 ILE H 1 33 THR HA . . 3.440 2.895 2.716 3.091 . 0 0 "[ . 1 . 2]" 1
207 1 55 ARG H 1 57 ALA H . . 4.270 4.251 3.990 4.337 0.067 18 0 "[ . 1 . 2]" 1
208 1 55 ARG H 1 58 ILE H . . 5.240 5.063 4.816 5.290 0.050 8 0 "[ . 1 . 2]" 1
209 1 25 TYR H 1 25 TYR QD . . 3.390 3.047 2.614 3.357 . 0 0 "[ . 1 . 2]" 1
210 1 13 PHE QE 1 61 GLY H . . 4.770 4.745 4.494 4.840 0.070 7 0 "[ . 1 . 2]" 1
211 1 59 TRP HE1 1 63 LEU MD2 . . 4.840 3.183 2.488 3.969 . 0 0 "[ . 1 . 2]" 1
212 1 59 TRP HE1 1 63 LEU MD1 . . 4.840 4.591 2.987 4.922 0.082 17 0 "[ . 1 . 2]" 1
213 1 9 SER H 1 12 SER H . . 4.950 3.574 3.045 3.996 . 0 0 "[ . 1 . 2]" 1
214 1 66 ARG HA 1 67 GLN H . . 3.560 3.580 3.513 3.611 0.051 4 0 "[ . 1 . 2]" 1
215 1 67 GLN H 1 68 LEU QB . . 4.730 4.540 4.227 4.798 0.068 12 0 "[ . 1 . 2]" 1
216 1 65 HIS H 1 65 HIS HD2 . . 5.090 4.932 4.698 5.106 0.016 17 0 "[ . 1 . 2]" 1
217 1 65 HIS H 1 66 ARG HA . . 5.500 5.310 5.239 5.401 . 0 0 "[ . 1 . 2]" 1
218 1 64 ASP H 1 66 ARG QG . . 5.230 4.477 4.132 5.211 . 0 0 "[ . 1 . 2]" 1
219 1 62 ILE MG 1 64 ASP H . . 4.420 4.323 4.254 4.424 0.004 4 0 "[ . 1 . 2]" 1
220 1 59 TRP HE3 1 63 LEU H . . 5.500 5.502 5.298 5.559 0.059 13 0 "[ . 1 . 2]" 1
221 1 62 ILE QG 1 63 LEU H . . 4.730 4.137 3.750 4.688 . 0 0 "[ . 1 . 2]" 1
222 1 62 ILE H 1 62 ILE MG . . 3.240 2.308 1.980 2.634 . 0 0 "[ . 1 . 2]" 1
223 1 45 LEU QD 1 60 LYS H . . 5.500 5.188 4.844 5.557 0.057 13 0 "[ . 1 . 2]" 1
224 1 45 LEU QB 1 59 TRP H . . 5.500 5.524 5.256 5.567 0.067 5 0 "[ . 1 . 2]" 1
225 1 45 LEU QD 1 59 TRP H . . 3.760 3.362 2.985 3.840 0.080 13 0 "[ . 1 . 2]" 1
226 1 58 ILE HB 1 59 TRP H . . 3.930 3.967 3.909 3.987 0.057 8 0 "[ . 1 . 2]" 1
227 1 45 LEU QD 1 59 TRP HE1 . . 5.500 3.402 2.997 3.886 . 0 0 "[ . 1 . 2]" 1
228 1 58 ILE H 1 58 ILE HB . . 2.950 2.797 2.712 2.887 . 0 0 "[ . 1 . 2]" 1
229 1 58 ILE H 1 58 ILE MD . . 4.410 4.399 4.263 4.492 0.082 14 0 "[ . 1 . 2]" 1
230 1 57 ALA H 1 58 ILE HB . . 5.410 5.463 5.400 5.477 0.067 2 0 "[ . 1 . 2]" 1
231 1 54 PHE HA 1 56 HIS H . . 5.240 4.306 3.927 4.692 . 0 0 "[ . 1 . 2]" 1
232 1 54 PHE QD 1 55 ARG H . . 4.640 3.137 2.991 3.319 . 0 0 "[ . 1 . 2]" 1
233 1 51 PRO QD 1 55 ARG H . . 4.180 4.016 3.838 4.228 0.048 10 0 "[ . 1 . 2]" 1
234 1 55 ARG H 1 56 HIS QB . . 5.400 4.779 4.326 5.396 . 0 0 "[ . 1 . 2]" 1
235 1 50 ILE MD 1 55 ARG H . . 5.500 5.567 5.550 5.575 0.075 4 0 "[ . 1 . 2]" 1
236 1 52 GLU H 1 52 GLU HG2 . . 5.500 2.854 2.136 3.849 . 0 0 "[ . 1 . 2]" 1
237 1 53 GLN H 1 54 PHE HA . . 5.500 5.512 5.441 5.548 0.048 4 0 "[ . 1 . 2]" 1
238 1 53 GLN HB3 1 54 PHE H . . 4.270 3.455 2.288 4.225 . 0 0 "[ . 1 . 2]" 1
239 1 53 GLN HB2 1 54 PHE H . . 4.270 3.382 2.244 4.260 . 0 0 "[ . 1 . 2]" 1
240 1 54 PHE H 1 55 ARG QB . . 4.190 3.886 3.461 4.264 0.074 9 0 "[ . 1 . 2]" 1
241 1 54 PHE H 1 57 ALA MB . . 5.500 5.059 4.673 5.284 . 0 0 "[ . 1 . 2]" 1
242 1 46 ALA MB 1 48 LEU H . . 4.540 4.453 4.324 4.607 0.067 3 0 "[ . 1 . 2]" 1
243 1 48 LEU H 1 50 ILE HB . . 5.150 4.854 4.545 5.206 0.056 14 0 "[ . 1 . 2]" 1
244 1 45 LEU HA 1 48 LEU H . . 3.530 3.378 3.086 3.555 0.025 17 0 "[ . 1 . 2]" 1
245 1 44 ASP H 1 45 LEU QD . . 5.500 4.347 3.642 4.929 . 0 0 "[ . 1 . 2]" 1
246 1 42 MET QB 1 43 ASP H . . 5.500 3.353 2.479 3.809 . 0 0 "[ . 1 . 2]" 1
247 1 41 SER HB2 1 42 MET H . . 3.720 3.251 2.223 3.618 . 0 0 "[ . 1 . 2]" 1
248 1 42 MET H 1 42 MET QB . . 3.300 2.375 1.977 2.594 . 0 0 "[ . 1 . 2]" 1
249 1 40 TYR QD 1 41 SER H . . 5.340 3.717 3.117 4.017 . 0 0 "[ . 1 . 2]" 1
250 1 37 ILE HB 1 40 TYR H . . 5.180 4.908 4.681 5.137 . 0 0 "[ . 1 . 2]" 1
251 1 38 GLU QG 1 39 HIS H . . 4.920 4.145 2.401 4.822 . 0 0 "[ . 1 . 2]" 1
252 1 38 GLU H 1 38 GLU QG . . 4.130 3.092 1.934 3.954 . 0 0 "[ . 1 . 2]" 1
253 1 38 GLU H 1 38 GLU HB2 . . 3.860 2.482 1.982 3.691 . 0 0 "[ . 1 . 2]" 1
254 1 38 GLU H 1 38 GLU HB3 . . 3.860 3.013 2.309 3.571 . 0 0 "[ . 1 . 2]" 1
255 1 37 ILE HG13 1 38 GLU H . . 4.450 2.777 2.500 3.098 . 0 0 "[ . 1 . 2]" 1
256 1 37 ILE H 1 37 ILE HG12 . . 3.650 2.124 1.987 2.290 . 0 0 "[ . 1 . 2]" 1
257 1 37 ILE H 1 37 ILE MD . . 5.500 3.745 3.647 3.864 . 0 0 "[ . 1 . 2]" 1
258 1 36 GLN H 1 37 ILE MD . . 5.220 5.300 5.257 5.314 0.094 6 0 "[ . 1 . 2]" 1
259 1 36 GLN H 1 37 ILE MG . . 4.660 4.356 4.174 4.572 . 0 0 "[ . 1 . 2]" 1
260 1 36 GLN H 1 36 GLN QB . . 2.770 2.336 2.235 2.434 . 0 0 "[ . 1 . 2]" 1
261 1 34 ILE MG 1 36 GLN H . . 5.480 4.824 4.558 5.050 . 0 0 "[ . 1 . 2]" 1
262 1 10 ILE QG 1 36 GLN H . . 5.500 5.194 4.944 5.472 . 0 0 "[ . 1 . 2]" 1
263 1 36 GLN QB 1 37 ILE H . . 4.080 2.598 2.457 2.749 . 0 0 "[ . 1 . 2]" 1
264 1 35 TYR H 1 36 GLN QB . . 5.500 4.724 4.590 4.860 . 0 0 "[ . 1 . 2]" 1
265 1 33 THR MG 1 35 TYR H . . 5.250 4.961 4.767 5.121 . 0 0 "[ . 1 . 2]" 1
266 1 34 ILE HB 1 35 TYR H . . 4.130 2.428 2.261 2.712 . 0 0 "[ . 1 . 2]" 1
267 1 34 ILE H 1 34 ILE HG12 . . 3.790 2.440 2.026 3.056 . 0 0 "[ . 1 . 2]" 1
268 1 34 ILE H 1 34 ILE MG . . 3.920 3.862 3.808 3.914 . 0 0 "[ . 1 . 2]" 1
269 1 33 THR H 1 37 ILE H . . 5.490 4.494 4.229 4.851 . 0 0 "[ . 1 . 2]" 1
270 1 33 THR H 1 36 GLN QB . . 3.790 3.866 3.842 3.874 0.084 9 0 "[ . 1 . 2]" 1
271 1 10 ILE HB 1 33 THR H . . 3.850 3.551 2.830 3.920 0.070 1 0 "[ . 1 . 2]" 1
272 1 33 THR H 1 36 GLN H . . 5.050 4.861 4.713 5.002 . 0 0 "[ . 1 . 2]" 1
273 1 33 THR H 1 37 ILE MG . . 5.500 3.482 3.132 3.973 . 0 0 "[ . 1 . 2]" 1
274 1 31 LEU QB 1 32 THR H . . 4.310 4.058 4.006 4.114 . 0 0 "[ . 1 . 2]" 1
275 1 31 LEU H 1 31 LEU MD1 . . 3.860 2.458 2.047 3.375 . 0 0 "[ . 1 . 2]" 1
276 1 31 LEU H 1 31 LEU MD2 . . 3.860 3.838 3.702 3.888 0.028 20 0 "[ . 1 . 2]" 1
277 1 31 LEU H 1 32 THR HB . . 4.970 4.504 3.730 5.030 0.060 2 0 "[ . 1 . 2]" 1
278 1 30 GLY H 1 31 LEU QB . . 5.500 5.110 4.976 5.306 . 0 0 "[ . 1 . 2]" 1
279 1 30 GLY H 1 32 THR MG . . 4.470 3.676 3.284 3.928 . 0 0 "[ . 1 . 2]" 1
280 1 29 GLN H 1 29 GLN QG . . 3.290 2.437 2.237 2.623 . 0 0 "[ . 1 . 2]" 1
281 1 29 GLN H 1 31 LEU HG . . 5.210 4.386 4.194 4.508 . 0 0 "[ . 1 . 2]" 1
282 1 29 GLN H 1 32 THR MG . . 5.500 4.887 4.236 5.257 . 0 0 "[ . 1 . 2]" 1
283 1 24 ASP QB 1 28 THR H . . 5.500 5.225 4.900 5.455 . 0 0 "[ . 1 . 2]" 1
284 1 26 PHE QB 1 27 THR H . . 3.210 2.662 2.490 2.770 . 0 0 "[ . 1 . 2]" 1
285 1 27 THR H 1 29 GLN QG . . 5.500 5.491 5.300 5.580 0.080 8 0 "[ . 1 . 2]" 1
286 1 25 TYR QD 1 26 PHE H . . 5.040 4.341 4.256 4.530 . 0 0 "[ . 1 . 2]" 1
287 1 23 LEU QD 1 26 PHE H . . 5.500 5.012 4.849 5.179 . 0 0 "[ . 1 . 2]" 1
288 1 25 TYR H 1 25 TYR QE . . 5.500 4.438 4.185 4.778 . 0 0 "[ . 1 . 2]" 1
289 1 14 PHE QD 1 23 LEU H . . 4.060 3.086 2.799 3.483 . 0 0 "[ . 1 . 2]" 1
290 1 23 LEU H 1 27 THR MG . . 5.500 5.575 5.567 5.589 0.089 13 0 "[ . 1 . 2]" 1
291 1 22 CYS H 1 23 LEU HG . . 5.220 5.098 4.843 5.273 0.053 17 0 "[ . 1 . 2]" 1
292 1 17 LEU QB 1 19 CYS H . . 3.570 2.597 2.358 3.101 . 0 0 "[ . 1 . 2]" 1
293 1 17 LEU QB 1 18 GLY H . . 3.940 2.650 2.294 2.972 . 0 0 "[ . 1 . 2]" 1
294 1 16 ARG QD 1 17 LEU H . . 5.380 5.178 3.986 5.451 0.071 17 0 "[ . 1 . 2]" 1
295 1 13 PHE QD 1 16 ARG H . . 5.290 5.068 4.571 5.371 0.081 1 0 "[ . 1 . 2]" 1
296 1 12 SER HA 1 14 PHE H . . 5.140 4.643 4.396 4.945 . 0 0 "[ . 1 . 2]" 1
297 1 10 ILE HB 1 14 PHE H . . 5.500 5.265 4.968 5.569 0.069 19 0 "[ . 1 . 2]" 1
298 1 11 VAL MG1 1 14 PHE H . . 5.500 5.298 5.158 5.466 . 0 0 "[ . 1 . 2]" 1
299 1 11 VAL MG2 1 14 PHE H . . 5.500 5.283 5.097 5.453 . 0 0 "[ . 1 . 2]" 1
300 1 14 PHE H 1 23 LEU QD . . 5.500 5.117 4.350 5.594 0.094 2 0 "[ . 1 . 2]" 1
301 1 10 ILE MG 1 14 PHE H . . 4.320 3.153 2.694 3.521 . 0 0 "[ . 1 . 2]" 1
302 1 13 PHE H 1 14 PHE HA . . 5.280 5.324 5.216 5.348 0.068 7 0 "[ . 1 . 2]" 1
303 1 12 SER QB 1 13 PHE H . . 3.300 2.613 2.466 2.824 . 0 0 "[ . 1 . 2]" 1
304 1 10 ILE HB 1 13 PHE H . . 5.500 5.474 5.224 5.565 0.065 17 0 "[ . 1 . 2]" 1
305 1 11 VAL MG1 1 13 PHE H . . 5.500 5.515 5.385 5.572 0.072 18 0 "[ . 1 . 2]" 1
306 1 13 PHE H 1 34 ILE MD . . 5.110 3.263 2.836 4.056 . 0 0 "[ . 1 . 2]" 1
307 1 11 VAL H 1 33 THR HA . . 5.430 5.497 5.478 5.507 0.077 2 0 "[ . 1 . 2]" 1
308 1 11 VAL H 1 12 SER QB . . 4.680 4.661 4.497 4.753 0.073 15 0 "[ . 1 . 2]" 1
309 1 10 ILE QG 1 11 VAL H . . 4.820 4.349 3.973 4.824 0.004 17 0 "[ . 1 . 2]" 1
310 1 10 ILE H 1 10 ILE HB . . 3.180 2.408 1.986 2.783 . 0 0 "[ . 1 . 2]" 1
311 1 10 ILE H 1 10 ILE MD . . 4.240 3.664 3.167 4.169 . 0 0 "[ . 1 . 2]" 1
312 1 10 ILE H 1 10 ILE MG . . 3.880 3.720 3.375 3.815 . 0 0 "[ . 1 . 2]" 1
313 1 10 ILE H 1 10 ILE QG . . 3.690 2.312 1.816 3.183 . 0 0 "[ . 1 . 2]" 1
314 1 10 ILE QG 1 34 ILE H . . 4.110 3.568 2.976 4.167 0.057 5 0 "[ . 1 . 2]" 1
315 1 34 ILE H 1 34 ILE MD . . 5.500 3.596 3.155 4.013 . 0 0 "[ . 1 . 2]" 1
316 1 59 TRP HE1 1 62 ILE MG . . 4.490 4.352 3.843 4.555 0.065 12 0 "[ . 1 . 2]" 1
317 1 41 SER HB3 1 42 MET H . . 3.720 2.451 2.165 3.703 . 0 0 "[ . 1 . 2]" 1
318 1 9 SER H 1 9 SER QB . . 3.510 2.781 2.432 2.998 . 0 0 "[ . 1 . 2]" 1
319 1 9 SER QB 1 10 ILE H . . 3.920 2.879 2.191 3.604 . 0 0 "[ . 1 . 2]" 1
320 1 9 SER QB 1 12 SER H . . 4.210 3.784 3.399 4.080 . 0 0 "[ . 1 . 2]" 1
321 1 14 PHE HZ 1 58 ILE QG . . 4.020 3.371 2.325 4.080 0.060 10 0 "[ . 1 . 2]" 1
322 1 16 ARG H 1 16 ARG QB . . 2.410 2.403 2.304 2.483 0.073 1 0 "[ . 1 . 2]" 1
323 1 16 ARG H 1 16 ARG QG . . 2.900 2.468 1.974 2.585 . 0 0 "[ . 1 . 2]" 1
324 1 16 ARG QB 1 17 LEU H . . 3.010 2.664 2.446 3.102 0.092 1 0 "[ . 1 . 2]" 1
325 1 16 ARG QG 1 17 LEU H . . 4.240 4.090 2.051 4.292 0.052 8 0 "[ . 1 . 2]" 1
326 1 18 GLY QA 1 19 CYS H . . 3.040 2.939 2.757 3.012 . 0 0 "[ . 1 . 2]" 1
327 1 29 GLN H 1 30 GLY QA . . 4.690 4.428 4.249 4.562 . 0 0 "[ . 1 . 2]" 1
328 1 33 THR H 1 36 GLN QG . . 5.340 5.077 4.738 5.404 0.064 14 0 "[ . 1 . 2]" 1
329 1 35 TYR H 1 35 TYR QB . . 3.410 2.531 2.325 2.741 . 0 0 "[ . 1 . 2]" 1
330 1 35 TYR QB 1 36 GLN H . . 3.500 2.972 2.775 3.181 . 0 0 "[ . 1 . 2]" 1
331 1 38 GLU QB 1 39 HIS H . . 4.420 3.111 2.711 3.790 . 0 0 "[ . 1 . 2]" 1
332 1 40 TYR QD 1 44 ASP QB . . 4.030 2.709 2.228 3.337 . 0 0 "[ . 1 . 2]" 1
333 1 41 SER H 1 41 SER QB . . 3.580 2.483 2.311 2.698 . 0 0 "[ . 1 . 2]" 1
334 1 41 SER QB 1 42 MET H . . 3.060 2.283 2.143 2.543 . 0 0 "[ . 1 . 2]" 1
335 1 41 SER QB 1 43 ASP H . . 4.210 2.785 2.297 3.184 . 0 0 "[ . 1 . 2]" 1
336 1 41 SER QB 1 44 ASP H . . 4.100 3.465 2.987 4.162 0.062 18 0 "[ . 1 . 2]" 1
337 1 41 SER QB 1 59 TRP HE1 . . 5.170 4.498 3.980 5.034 . 0 0 "[ . 1 . 2]" 1
338 1 43 ASP H 1 43 ASP QB . . 3.590 2.266 2.161 2.456 . 0 0 "[ . 1 . 2]" 1
339 1 44 ASP QB 1 45 LEU H . . 3.480 2.647 2.326 2.859 . 0 0 "[ . 1 . 2]" 1
340 1 52 GLU H 1 52 GLU QG . . 4.670 2.581 1.959 3.426 . 0 0 "[ . 1 . 2]" 1
341 1 53 GLN QB 1 54 PHE H . . 3.720 2.861 2.209 3.736 0.016 7 0 "[ . 1 . 2]" 1
342 1 54 PHE QB 1 55 ARG H . . 3.810 2.779 2.539 3.050 . 0 0 "[ . 1 . 2]" 1
343 1 54 PHE QB 1 58 ILE H . . 5.340 5.331 5.133 5.421 0.081 5 0 "[ . 1 . 2]" 1
344 1 58 ILE H 1 58 ILE QG . . 3.850 3.916 3.864 3.929 0.079 9 0 "[ . 1 . 2]" 1
345 1 58 ILE QG 1 59 TRP H . . 4.070 3.038 2.903 3.232 . 0 0 "[ . 1 . 2]" 1
346 1 63 LEU H 1 64 ASP QB . . 4.770 4.483 4.225 4.659 . 0 0 "[ . 1 . 2]" 1
347 1 64 ASP QB 1 66 ARG H . . 5.250 5.040 4.871 5.328 0.078 16 0 "[ . 1 . 2]" 1
348 1 70 ASP H 1 70 ASP QB . . 3.310 2.654 2.112 3.287 . 0 0 "[ . 1 . 2]" 1
349 1 26 PHE HA 1 26 PHE QD . . 3.890 2.935 2.734 3.075 . 0 0 "[ . 1 . 2]" 1
350 1 26 PHE QD 1 31 LEU QB . . 4.300 4.378 4.354 4.399 0.099 4 0 "[ . 1 . 2]" 1
351 1 10 ILE QG 1 26 PHE QD . . 4.670 4.386 3.049 4.763 0.093 6 0 "[ . 1 . 2]" 1
352 1 59 TRP HA 1 59 TRP HE3 . . 4.700 4.541 4.408 4.653 . 0 0 "[ . 1 . 2]" 1
353 1 22 CYS HA 1 25 TYR QD . . 3.620 2.407 2.135 2.814 . 0 0 "[ . 1 . 2]" 1
354 1 25 TYR HA 1 25 TYR QD . . 3.760 2.221 2.123 2.325 . 0 0 "[ . 1 . 2]" 1
355 1 26 PHE QE 1 33 THR MG . . 4.280 4.357 4.279 4.387 0.107 8 0 "[ . 1 . 2]" 1
356 1 37 ILE MG 1 59 TRP HD1 . . 4.550 4.521 4.207 4.631 0.081 19 0 "[ . 1 . 2]" 1
357 1 35 TYR HA 1 35 TYR QD . . 3.430 2.843 2.260 3.239 . 0 0 "[ . 1 . 2]" 1
358 1 50 ILE HA 1 54 PHE QD . . 3.770 3.834 3.811 3.851 0.081 17 0 "[ . 1 . 2]" 1
359 1 19 CYS QB 1 54 PHE QD . . 5.450 4.735 3.578 5.522 0.072 3 0 "[ . 1 . 2]" 1
360 1 13 PHE QE 1 34 ILE MD . . 5.220 5.130 4.803 5.317 0.097 1 0 "[ . 1 . 2]" 1
361 1 13 PHE QE 1 37 ILE MD . . 4.450 3.103 2.344 3.852 . 0 0 "[ . 1 . 2]" 1
362 1 40 TYR QE 1 48 LEU MD2 . . 5.140 4.965 4.552 5.076 . 0 0 "[ . 1 . 2]" 1
363 1 33 THR MG 1 40 TYR QD . . 4.000 4.114 4.101 4.122 0.122 9 0 "[ . 1 . 2]" 1
364 1 33 THR MG 1 40 TYR QE . . 4.020 3.713 3.214 4.060 0.040 13 0 "[ . 1 . 2]" 1
365 1 19 CYS HA 1 54 PHE QE . . 5.450 4.833 3.063 5.517 0.067 12 0 "[ . 1 . 2]" 1
366 1 14 PHE QE 1 26 PHE QE . . 3.680 3.472 3.017 3.755 0.075 18 0 "[ . 1 . 2]" 1
367 1 14 PHE HZ 1 26 PHE QE . . 4.620 2.976 2.166 3.615 . 0 0 "[ . 1 . 2]" 1
368 1 13 PHE QD 1 17 LEU QD . . 4.740 3.114 2.743 3.318 . 0 0 "[ . 1 . 2]" 1
369 1 14 PHE QD 1 17 LEU QD . . 4.260 2.620 2.180 3.394 . 0 0 "[ . 1 . 2]" 1
370 1 25 TYR QB 1 26 PHE QD . . 3.750 3.572 3.305 3.758 0.008 20 0 "[ . 1 . 2]" 1
371 1 34 ILE QG 1 35 TYR QE . . 3.770 3.827 3.478 3.860 0.090 18 0 "[ . 1 . 2]" 1
372 1 40 TYR QE 1 48 LEU QD . . 4.080 3.835 3.443 4.195 0.115 10 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 338
_Distance_constraint_stats_list.Viol_count 922
_Distance_constraint_stats_list.Viol_total 999.945
_Distance_constraint_stats_list.Viol_max 0.108
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.0542
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 SER 0.634 0.077 18 0 "[ . 1 . 2]"
1 10 ILE 1.214 0.081 1 0 "[ . 1 . 2]"
1 11 VAL 2.674 0.081 1 0 "[ . 1 . 2]"
1 12 SER 1.233 0.074 9 0 "[ . 1 . 2]"
1 13 PHE 7.360 0.099 13 0 "[ . 1 . 2]"
1 14 PHE 3.008 0.099 13 0 "[ . 1 . 2]"
1 15 ALA 1.095 0.071 7 0 "[ . 1 . 2]"
1 16 ARG 0.605 0.071 9 0 "[ . 1 . 2]"
1 17 LEU 3.297 0.100 10 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 CYS 1.394 0.076 1 0 "[ . 1 . 2]"
1 22 CYS 2.966 0.095 17 0 "[ . 1 . 2]"
1 23 LEU 1.860 0.095 17 0 "[ . 1 . 2]"
1 24 ASP 1.356 0.066 13 0 "[ . 1 . 2]"
1 25 TYR 0.433 0.076 11 0 "[ . 1 . 2]"
1 26 PHE 4.290 0.082 12 0 "[ . 1 . 2]"
1 27 THR 1.698 0.071 4 0 "[ . 1 . 2]"
1 28 THR 0.177 0.038 10 0 "[ . 1 . 2]"
1 29 GLN 3.048 0.085 3 0 "[ . 1 . 2]"
1 30 GLY 0.975 0.066 4 0 "[ . 1 . 2]"
1 31 LEU 1.648 0.071 4 0 "[ . 1 . 2]"
1 32 THR 3.435 0.088 3 0 "[ . 1 . 2]"
1 33 THR 2.868 0.088 3 0 "[ . 1 . 2]"
1 34 ILE 2.728 0.096 15 0 "[ . 1 . 2]"
1 35 TYR 1.907 0.070 13 0 "[ . 1 . 2]"
1 36 GLN 2.679 0.080 16 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 HIS 0.509 0.063 6 0 "[ . 1 . 2]"
1 40 TYR 0.622 0.063 6 0 "[ . 1 . 2]"
1 41 SER 0.153 0.048 20 0 "[ . 1 . 2]"
1 42 MET 0.116 0.073 11 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 0.423 0.066 2 0 "[ . 1 . 2]"
1 45 LEU 1.268 0.108 7 0 "[ . 1 . 2]"
1 46 ALA 0.231 0.066 2 0 "[ . 1 . 2]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.085 0.043 1 0 "[ . 1 . 2]"
1 49 LYS 0.628 0.075 14 0 "[ . 1 . 2]"
1 50 ILE 1.184 0.078 12 0 "[ . 1 . 2]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PHE 2.760 0.098 10 0 "[ . 1 . 2]"
1 55 ARG 1.821 0.098 10 0 "[ . 1 . 2]"
1 56 HIS 0.836 0.078 11 0 "[ . 1 . 2]"
1 57 ALA 1.440 0.086 18 0 "[ . 1 . 2]"
1 58 ILE 2.069 0.086 11 0 "[ . 1 . 2]"
1 59 TRP 5.916 0.108 7 0 "[ . 1 . 2]"
1 60 LYS 0.694 0.065 7 0 "[ . 1 . 2]"
1 61 GLY 3.279 0.089 13 0 "[ . 1 . 2]"
1 62 ILE 4.453 0.100 10 0 "[ . 1 . 2]"
1 63 LEU 1.711 0.079 17 0 "[ . 1 . 2]"
1 64 ASP 2.199 0.081 9 0 "[ . 1 . 2]"
1 65 HIS 2.341 0.083 3 0 "[ . 1 . 2]"
1 66 ARG 2.095 0.100 12 0 "[ . 1 . 2]"
1 67 GLN 2.828 0.100 12 0 "[ . 1 . 2]"
1 68 LEU 0.084 0.084 3 0 "[ . 1 . 2]"
1 69 HIS 0.134 0.061 15 0 "[ . 1 . 2]"
1 70 ASP 0.134 0.061 15 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 26 PHE QE 1 50 ILE MD . . 3.250 2.550 2.132 3.328 0.078 12 0 "[ . 1 . 2]" 2
2 1 54 PHE QD 1 57 ALA MB . . 3.980 3.252 2.925 3.868 . 0 0 "[ . 1 . 2]" 2
3 1 54 PHE QD 1 55 ARG QB . . 3.730 3.819 3.802 3.828 0.098 10 0 "[ . 1 . 2]" 2
4 1 13 PHE HA 1 13 PHE QD . . 3.390 2.319 2.124 2.595 . 0 0 "[ . 1 . 2]" 2
5 1 10 ILE HA 1 13 PHE QD . . 4.310 3.792 3.043 4.344 0.034 13 0 "[ . 1 . 2]" 2
6 1 22 CYS HA 1 25 TYR QE . . 4.150 3.730 3.274 4.195 0.045 11 0 "[ . 1 . 2]" 2
7 1 40 TYR HA 1 40 TYR QE . . 4.450 4.326 4.204 4.495 0.045 20 0 "[ . 1 . 2]" 2
8 1 14 PHE QE 1 23 LEU HA . . 3.530 3.174 2.532 3.571 0.041 6 0 "[ . 1 . 2]" 2
9 1 14 PHE HA 1 14 PHE QE . . 4.350 4.293 4.178 4.403 0.053 20 0 "[ . 1 . 2]" 2
10 1 14 PHE QD 1 23 LEU QB . . 5.330 2.225 2.074 2.473 . 0 0 "[ . 1 . 2]" 2
11 1 14 PHE QD 1 23 LEU HA . . 3.850 2.365 2.103 2.754 . 0 0 "[ . 1 . 2]" 2
12 1 14 PHE HZ 1 58 ILE MG . . 4.240 3.499 2.949 4.294 0.054 10 0 "[ . 1 . 2]" 2
13 1 10 ILE MG 1 14 PHE HZ . . 4.780 3.234 2.606 4.046 . 0 0 "[ . 1 . 2]" 2
14 1 62 ILE HB 1 65 HIS HD2 . . 5.500 5.511 5.304 5.560 0.060 11 0 "[ . 1 . 2]" 2
15 1 50 ILE MG 1 54 PHE QD . . 4.850 1.907 1.858 1.994 . 0 0 "[ . 1 . 2]" 2
16 1 13 PHE QD 1 34 ILE MD . . 4.570 3.718 3.261 4.144 . 0 0 "[ . 1 . 2]" 2
17 1 54 PHE HA 1 54 PHE QE . . 4.700 4.725 4.573 4.769 0.069 11 0 "[ . 1 . 2]" 2
18 1 45 LEU QD 1 59 TRP HE3 . . 4.990 5.026 4.774 5.098 0.108 7 0 "[ . 1 . 2]" 2
19 1 14 PHE HZ 1 26 PHE QD . . 4.740 3.685 2.905 4.193 . 0 0 "[ . 1 . 2]" 2
20 1 14 PHE QE 1 26 PHE QD . . 4.410 2.541 2.211 3.126 . 0 0 "[ . 1 . 2]" 2
21 1 13 PHE QE 1 14 PHE QE . . 3.660 3.643 2.867 3.759 0.099 13 0 "[ . 1 . 2]" 2
22 1 54 PHE HA 1 54 PHE QD . . 3.340 2.785 2.594 3.025 . 0 0 "[ . 1 . 2]" 2
23 1 11 VAL H 1 11 VAL HB . . 3.670 3.642 3.571 3.704 0.034 8 0 "[ . 1 . 2]" 2
24 1 12 SER H 1 12 SER QB . . 2.820 2.216 2.054 2.420 . 0 0 "[ . 1 . 2]" 2
25 1 14 PHE H 1 14 PHE HB3 . . 3.600 3.494 3.438 3.573 . 0 0 "[ . 1 . 2]" 2
26 1 15 ALA H 1 15 ALA MB . . 2.730 2.242 2.198 2.287 . 0 0 "[ . 1 . 2]" 2
27 1 55 ARG H 1 55 ARG QB . . 2.860 2.127 2.026 2.220 . 0 0 "[ . 1 . 2]" 2
28 1 17 LEU H 1 17 LEU MD1 . . 3.980 3.804 3.435 3.988 0.008 6 0 "[ . 1 . 2]" 2
29 1 17 LEU H 1 17 LEU MD2 . . 3.980 3.424 2.856 3.809 . 0 0 "[ . 1 . 2]" 2
30 1 23 LEU H 1 23 LEU QB . . 2.680 2.296 2.192 2.398 . 0 0 "[ . 1 . 2]" 2
31 1 24 ASP H 1 24 ASP QB . . 3.420 2.216 2.111 2.342 . 0 0 "[ . 1 . 2]" 2
32 1 28 THR H 1 28 THR HB . . 3.290 2.448 2.082 2.749 . 0 0 "[ . 1 . 2]" 2
33 1 40 TYR H 1 40 TYR HB2 . . 3.630 2.354 2.237 2.463 . 0 0 "[ . 1 . 2]" 2
34 1 44 ASP H 1 44 ASP HB3 . . 3.660 3.377 2.576 3.581 . 0 0 "[ . 1 . 2]" 2
35 1 44 ASP H 1 44 ASP HB2 . . 3.660 2.226 2.053 2.606 . 0 0 "[ . 1 . 2]" 2
36 1 46 ALA H 1 46 ALA MB . . 2.750 2.251 2.183 2.329 . 0 0 "[ . 1 . 2]" 2
37 1 48 LEU H 1 48 LEU QB . . 2.760 2.314 2.205 2.469 . 0 0 "[ . 1 . 2]" 2
38 1 48 LEU H 1 48 LEU HG . . 3.480 2.627 2.288 3.092 . 0 0 "[ . 1 . 2]" 2
39 1 59 TRP H 1 59 TRP HB3 . . 3.000 2.854 2.598 2.990 . 0 0 "[ . 1 . 2]" 2
40 1 60 LYS H 1 60 LYS HB3 . . 3.070 2.559 2.411 2.772 . 0 0 "[ . 1 . 2]" 2
41 1 62 ILE H 1 62 ILE HB . . 2.770 2.358 2.082 2.561 . 0 0 "[ . 1 . 2]" 2
42 1 63 LEU H 1 63 LEU QB . . 2.820 2.249 2.207 2.302 . 0 0 "[ . 1 . 2]" 2
43 1 64 ASP H 1 64 ASP HB3 . . 3.610 2.987 2.245 3.665 0.055 2 0 "[ . 1 . 2]" 2
44 1 64 ASP H 1 64 ASP HB2 . . 3.610 2.644 2.311 3.657 0.047 16 0 "[ . 1 . 2]" 2
45 1 65 HIS H 1 65 HIS HB2 . . 3.010 2.667 2.529 2.838 . 0 0 "[ . 1 . 2]" 2
46 1 66 ARG H 1 66 ARG QG . . 3.720 2.331 2.061 2.895 . 0 0 "[ . 1 . 2]" 2
47 1 66 ARG H 1 66 ARG QB . . 2.710 2.530 2.375 2.769 0.059 14 0 "[ . 1 . 2]" 2
48 1 66 ARG H 1 66 ARG QD . . 3.880 3.652 1.899 3.951 0.071 15 0 "[ . 1 . 2]" 2
49 1 68 LEU H 1 68 LEU QB . . 2.830 2.327 2.178 2.444 . 0 0 "[ . 1 . 2]" 2
50 1 68 LEU H 1 68 LEU QD . . 3.860 3.318 2.453 3.494 . 0 0 "[ . 1 . 2]" 2
51 1 69 HIS H 1 69 HIS HB2 . . 3.360 2.694 2.146 3.304 . 0 0 "[ . 1 . 2]" 2
52 1 11 VAL H 1 11 VAL MG2 . . 3.140 2.047 1.925 2.271 . 0 0 "[ . 1 . 2]" 2
53 1 23 LEU H 1 23 LEU QD . . 3.470 3.237 3.092 3.335 . 0 0 "[ . 1 . 2]" 2
54 1 27 THR H 1 27 THR MG . . 3.060 2.266 2.052 2.485 . 0 0 "[ . 1 . 2]" 2
55 1 48 LEU H 1 48 LEU MD1 . . 4.050 3.540 3.278 4.093 0.043 1 0 "[ . 1 . 2]" 2
56 1 69 HIS H 1 70 ASP H . . 5.430 3.923 2.180 4.542 . 0 0 "[ . 1 . 2]" 2
57 1 68 LEU QB 1 69 HIS H . . 4.650 3.167 2.248 3.713 . 0 0 "[ . 1 . 2]" 2
58 1 66 ARG H 1 68 LEU H . . 5.500 4.222 3.975 4.484 . 0 0 "[ . 1 . 2]" 2
59 1 66 ARG HA 1 68 LEU H . . 4.820 4.128 3.832 4.466 . 0 0 "[ . 1 . 2]" 2
60 1 65 HIS HB2 1 66 ARG H . . 4.220 3.818 3.705 3.967 . 0 0 "[ . 1 . 2]" 2
61 1 65 HIS HB3 1 66 ARG H . . 4.220 2.398 2.292 2.614 . 0 0 "[ . 1 . 2]" 2
62 1 66 ARG H 1 67 GLN QB . . 4.710 4.505 4.169 4.783 0.073 3 0 "[ . 1 . 2]" 2
63 1 65 HIS H 1 67 GLN H . . 3.690 3.760 3.718 3.773 0.083 3 0 "[ . 1 . 2]" 2
64 1 63 LEU HA 1 65 HIS H . . 4.420 4.322 4.173 4.457 0.037 6 0 "[ . 1 . 2]" 2
65 1 64 ASP HB2 1 65 HIS H . . 4.110 3.457 2.586 4.116 0.006 19 0 "[ . 1 . 2]" 2
66 1 62 ILE HB 1 65 HIS H . . 5.500 5.342 5.149 5.529 0.029 18 0 "[ . 1 . 2]" 2
67 1 63 LEU QB 1 65 HIS H . . 4.880 4.729 4.613 4.837 . 0 0 "[ . 1 . 2]" 2
68 1 64 ASP H 1 65 HIS H . . 3.180 2.447 2.408 2.492 . 0 0 "[ . 1 . 2]" 2
69 1 62 ILE HB 1 64 ASP H . . 5.320 5.399 5.392 5.401 0.081 9 0 "[ . 1 . 2]" 2
70 1 63 LEU QB 1 64 ASP H . . 3.020 2.841 2.728 2.977 . 0 0 "[ . 1 . 2]" 2
71 1 59 TRP HA 1 63 LEU H . . 4.370 3.836 3.724 3.961 . 0 0 "[ . 1 . 2]" 2
72 1 60 LYS HA 1 63 LEU H . . 4.060 3.715 3.519 3.936 . 0 0 "[ . 1 . 2]" 2
73 1 62 ILE HB 1 63 LEU H . . 3.870 3.824 3.662 3.924 0.054 12 0 "[ . 1 . 2]" 2
74 1 62 ILE MG 1 63 LEU H . . 3.170 2.283 2.189 2.390 . 0 0 "[ . 1 . 2]" 2
75 1 63 LEU H 1 63 LEU MD2 . . 4.250 2.720 2.380 4.029 . 0 0 "[ . 1 . 2]" 2
76 1 63 LEU H 1 65 HIS H . . 4.320 4.091 3.981 4.223 . 0 0 "[ . 1 . 2]" 2
77 1 59 TRP HA 1 62 ILE H . . 4.290 3.622 3.417 3.790 . 0 0 "[ . 1 . 2]" 2
78 1 62 ILE H 1 63 LEU QB . . 5.170 4.498 4.385 4.676 . 0 0 "[ . 1 . 2]" 2
79 1 60 LYS H 1 61 GLY H . . 2.850 2.810 2.709 2.878 0.028 4 0 "[ . 1 . 2]" 2
80 1 59 TRP H 1 61 GLY H . . 4.120 4.170 4.107 4.193 0.073 1 0 "[ . 1 . 2]" 2
81 1 61 GLY H 1 62 ILE H . . 3.030 2.900 2.819 2.957 . 0 0 "[ . 1 . 2]" 2
82 1 61 GLY H 1 62 ILE HB . . 5.280 5.156 4.849 5.339 0.059 13 0 "[ . 1 . 2]" 2
83 1 57 ALA HA 1 60 LYS H . . 5.500 3.803 3.442 4.046 . 0 0 "[ . 1 . 2]" 2
84 1 59 TRP H 1 60 LYS H . . 3.190 2.921 2.751 3.020 . 0 0 "[ . 1 . 2]" 2
85 1 56 HIS HA 1 59 TRP H . . 3.800 3.816 3.617 3.868 0.068 11 0 "[ . 1 . 2]" 2
86 1 57 ALA MB 1 59 TRP H . . 4.530 4.598 4.577 4.616 0.086 18 0 "[ . 1 . 2]" 2
87 1 56 HIS H 1 57 ALA H . . 3.680 2.734 2.555 2.813 . 0 0 "[ . 1 . 2]" 2
88 1 54 PHE HA 1 57 ALA H . . 4.730 3.290 3.001 3.526 . 0 0 "[ . 1 . 2]" 2
89 1 56 HIS QB 1 57 ALA H . . 3.320 2.952 2.766 3.398 0.078 11 0 "[ . 1 . 2]" 2
90 1 55 ARG H 1 56 HIS H . . 3.830 2.967 2.720 3.242 . 0 0 "[ . 1 . 2]" 2
91 1 47 SER H 1 48 LEU H . . 3.310 2.708 2.546 2.815 . 0 0 "[ . 1 . 2]" 2
92 1 46 ALA MB 1 47 SER H . . 3.560 2.556 2.361 2.709 . 0 0 "[ . 1 . 2]" 2
93 1 46 ALA H 1 48 LEU H . . 5.500 4.091 3.911 4.337 . 0 0 "[ . 1 . 2]" 2
94 1 45 LEU H 1 46 ALA H . . 3.220 2.781 2.577 2.898 . 0 0 "[ . 1 . 2]" 2
95 1 43 ASP HA 1 46 ALA H . . 4.220 3.512 2.994 3.885 . 0 0 "[ . 1 . 2]" 2
96 1 45 LEU QB 1 46 ALA H . . 3.300 2.579 2.371 2.998 . 0 0 "[ . 1 . 2]" 2
97 1 44 ASP HB3 1 45 LEU H . . 4.140 3.086 2.512 3.430 . 0 0 "[ . 1 . 2]" 2
98 1 45 LEU H 1 46 ALA MB . . 4.550 4.451 4.298 4.553 0.003 20 0 "[ . 1 . 2]" 2
99 1 40 TYR HA 1 44 ASP H . . 5.290 4.929 4.554 5.332 0.042 2 0 "[ . 1 . 2]" 2
100 1 42 MET HA 1 44 ASP H . . 4.850 4.498 4.227 4.802 . 0 0 "[ . 1 . 2]" 2
101 1 41 SER HA 1 43 ASP H . . 5.500 4.440 4.179 4.806 . 0 0 "[ . 1 . 2]" 2
102 1 39 HIS QB 1 40 TYR H . . 4.400 3.094 2.882 3.755 . 0 0 "[ . 1 . 2]" 2
103 1 38 GLU H 1 39 HIS H . . 4.010 2.637 2.408 2.827 . 0 0 "[ . 1 . 2]" 2
104 1 38 GLU H 1 39 HIS QB . . 5.500 4.535 4.222 5.048 . 0 0 "[ . 1 . 2]" 2
105 1 36 GLN H 1 37 ILE H . . 3.020 2.577 2.383 2.723 . 0 0 "[ . 1 . 2]" 2
106 1 35 TYR HB2 1 36 GLN H . . 4.090 3.057 2.836 3.303 . 0 0 "[ . 1 . 2]" 2
107 1 35 TYR HB3 1 36 GLN H . . 4.090 4.066 3.838 4.154 0.064 15 0 "[ . 1 . 2]" 2
108 1 34 ILE H 1 35 TYR H . . 3.710 2.529 2.369 2.678 . 0 0 "[ . 1 . 2]" 2
109 1 33 THR HA 1 34 ILE H . . 2.960 2.281 2.194 2.339 . 0 0 "[ . 1 . 2]" 2
110 1 33 THR HB 1 34 ILE H . . 3.570 3.629 3.596 3.640 0.070 14 0 "[ . 1 . 2]" 2
111 1 10 ILE H 1 33 THR H . . 4.390 3.751 3.210 4.450 0.060 15 0 "[ . 1 . 2]" 2
112 1 31 LEU H 1 32 THR H . . 4.920 2.446 2.279 2.781 . 0 0 "[ . 1 . 2]" 2
113 1 27 THR HA 1 30 GLY H . . 3.870 3.284 3.025 3.650 . 0 0 "[ . 1 . 2]" 2
114 1 29 GLN H 1 31 LEU H . . 4.210 4.239 4.050 4.276 0.066 20 0 "[ . 1 . 2]" 2
115 1 29 GLN H 1 30 GLY H . . 2.980 2.531 2.309 2.679 . 0 0 "[ . 1 . 2]" 2
116 1 28 THR H 1 29 GLN H . . 3.360 2.753 2.625 2.893 . 0 0 "[ . 1 . 2]" 2
117 1 27 THR HA 1 29 GLN H . . 4.400 4.260 3.938 4.458 0.058 5 0 "[ . 1 . 2]" 2
118 1 27 THR H 1 28 THR H . . 3.770 2.727 2.576 2.960 . 0 0 "[ . 1 . 2]" 2
119 1 28 THR H 1 30 GLY H . . 4.090 4.045 3.843 4.128 0.038 10 0 "[ . 1 . 2]" 2
120 1 24 ASP HA 1 28 THR H . . 4.270 3.936 3.675 4.173 . 0 0 "[ . 1 . 2]" 2
121 1 26 PHE H 1 27 THR H . . 3.000 2.960 2.838 3.041 0.041 1 0 "[ . 1 . 2]" 2
122 1 26 PHE QD 1 27 THR H . . 4.620 4.628 4.485 4.684 0.064 7 0 "[ . 1 . 2]" 2
123 1 27 THR H 1 29 GLN H . . 4.810 4.113 3.906 4.391 . 0 0 "[ . 1 . 2]" 2
124 1 24 ASP HA 1 27 THR H . . 4.230 3.613 3.258 3.827 . 0 0 "[ . 1 . 2]" 2
125 1 25 TYR HA 1 27 THR H . . 5.060 4.681 4.542 4.895 . 0 0 "[ . 1 . 2]" 2
126 1 23 LEU QD 1 27 THR H . . 4.380 3.848 3.647 4.060 . 0 0 "[ . 1 . 2]" 2
127 1 25 TYR H 1 26 PHE H . . 3.000 2.847 2.666 3.043 0.043 11 0 "[ . 1 . 2]" 2
128 1 24 ASP HA 1 26 PHE H . . 4.770 4.733 4.523 4.823 0.053 12 0 "[ . 1 . 2]" 2
129 1 26 PHE H 1 27 THR HA . . 5.500 5.505 5.437 5.541 0.041 1 0 "[ . 1 . 2]" 2
130 1 25 TYR HB3 1 26 PHE H . . 3.880 3.592 3.476 3.733 . 0 0 "[ . 1 . 2]" 2
131 1 23 LEU H 1 25 TYR H . . 4.310 4.128 3.796 4.331 0.021 18 0 "[ . 1 . 2]" 2
132 1 25 TYR H 1 26 PHE QB . . 5.500 4.432 4.086 4.676 . 0 0 "[ . 1 . 2]" 2
133 1 24 ASP QB 1 25 TYR H . . 3.800 2.485 2.284 2.794 . 0 0 "[ . 1 . 2]" 2
134 1 23 LEU H 1 24 ASP HA . . 5.450 5.100 4.969 5.281 . 0 0 "[ . 1 . 2]" 2
135 1 22 CYS HB3 1 23 LEU H . . 5.500 3.966 3.014 4.412 . 0 0 "[ . 1 . 2]" 2
136 1 23 LEU H 1 24 ASP QB . . 5.170 4.166 3.984 4.417 . 0 0 "[ . 1 . 2]" 2
137 1 19 CYS HA 1 22 CYS H . . 5.100 4.718 4.322 5.002 . 0 0 "[ . 1 . 2]" 2
138 1 19 CYS QB 1 22 CYS H . . 4.340 3.658 3.276 4.411 0.071 3 0 "[ . 1 . 2]" 2
139 1 22 CYS H 1 23 LEU QD . . 4.890 4.846 4.696 4.985 0.095 17 0 "[ . 1 . 2]" 2
140 1 17 LEU H 1 19 CYS H . . 4.340 4.036 3.839 4.375 0.035 18 0 "[ . 1 . 2]" 2
141 1 17 LEU H 1 18 GLY H . . 3.230 2.693 2.534 2.933 . 0 0 "[ . 1 . 2]" 2
142 1 16 ARG HG2 1 17 LEU H . . 4.870 4.654 2.468 4.941 0.071 9 0 "[ . 1 . 2]" 2
143 1 14 PHE H 1 16 ARG H . . 4.820 4.223 4.090 4.373 . 0 0 "[ . 1 . 2]" 2
144 1 15 ALA MB 1 16 ARG H . . 3.010 2.583 2.362 2.776 . 0 0 "[ . 1 . 2]" 2
145 1 15 ALA H 1 16 ARG H . . 2.980 2.771 2.651 2.984 0.004 1 0 "[ . 1 . 2]" 2
146 1 14 PHE H 1 15 ALA H . . 3.340 2.723 2.524 2.802 . 0 0 "[ . 1 . 2]" 2
147 1 13 PHE HA 1 15 ALA H . . 4.780 4.474 4.313 4.655 . 0 0 "[ . 1 . 2]" 2
148 1 14 PHE HB3 1 15 ALA H . . 3.860 3.458 3.280 3.620 . 0 0 "[ . 1 . 2]" 2
149 1 10 ILE HA 1 14 PHE H . . 4.160 3.750 3.391 4.017 . 0 0 "[ . 1 . 2]" 2
150 1 10 ILE HA 1 13 PHE H . . 3.570 2.984 2.756 3.196 . 0 0 "[ . 1 . 2]" 2
151 1 13 PHE H 1 15 ALA MB . . 5.500 4.732 4.564 4.916 . 0 0 "[ . 1 . 2]" 2
152 1 11 VAL HB 1 12 SER H . . 3.420 3.409 3.235 3.483 0.063 4 0 "[ . 1 . 2]" 2
153 1 12 SER H 1 14 PHE H . . 5.500 4.306 4.200 4.516 . 0 0 "[ . 1 . 2]" 2
154 1 9 SER HA 1 11 VAL H . . 4.400 4.218 3.987 4.421 0.021 13 0 "[ . 1 . 2]" 2
155 1 49 LYS H 1 50 ILE H . . 3.360 2.717 2.495 2.957 . 0 0 "[ . 1 . 2]" 2
156 1 50 ILE H 1 50 ILE MG . . 4.030 3.785 3.718 3.875 . 0 0 "[ . 1 . 2]" 2
157 1 50 ILE H 1 50 ILE HB . . 3.080 2.644 2.504 2.765 . 0 0 "[ . 1 . 2]" 2
158 1 49 LYS H 1 49 LYS QG . . 3.980 3.313 2.776 4.055 0.075 14 0 "[ . 1 . 2]" 2
159 1 48 LEU QB 1 49 LYS H . . 4.800 3.714 3.575 3.897 . 0 0 "[ . 1 . 2]" 2
160 1 46 ALA HA 1 49 LYS H . . 5.190 4.259 3.924 4.729 . 0 0 "[ . 1 . 2]" 2
161 1 49 LYS QD 1 50 ILE H . . 5.000 4.849 4.520 5.073 0.073 5 0 "[ . 1 . 2]" 2
162 1 48 LEU QB 1 50 ILE H . . 4.400 3.433 3.132 3.858 . 0 0 "[ . 1 . 2]" 2
163 1 48 LEU H 1 50 ILE QG . . 4.050 3.732 3.434 4.092 0.042 2 0 "[ . 1 . 2]" 2
164 1 47 SER H 1 48 LEU QB . . 4.890 4.653 4.315 4.792 . 0 0 "[ . 1 . 2]" 2
165 1 44 ASP HB2 1 46 ALA H . . 5.500 5.371 5.038 5.566 0.066 2 0 "[ . 1 . 2]" 2
166 1 66 ARG QG 1 67 GLN H . . 4.370 2.502 1.951 3.025 . 0 0 "[ . 1 . 2]" 2
167 1 17 LEU MD2 1 62 ILE H . . 5.500 4.817 4.347 5.076 . 0 0 "[ . 1 . 2]" 2
168 1 17 LEU MD1 1 62 ILE H . . 5.500 4.541 4.411 5.056 . 0 0 "[ . 1 . 2]" 2
169 1 41 SER HA 1 59 TRP HE1 . . 3.690 2.522 1.992 3.114 . 0 0 "[ . 1 . 2]" 2
170 1 13 PHE QE 1 62 ILE H . . 3.880 3.230 2.962 3.457 . 0 0 "[ . 1 . 2]" 2
171 1 13 PHE H 1 15 ALA H . . 4.200 4.069 3.918 4.230 0.030 13 0 "[ . 1 . 2]" 2
172 1 23 LEU H 1 24 ASP H . . 3.770 2.437 2.291 2.643 . 0 0 "[ . 1 . 2]" 2
173 1 23 LEU H 1 26 PHE H . . 4.770 4.776 4.661 4.832 0.062 8 0 "[ . 1 . 2]" 2
174 1 43 ASP H 1 44 ASP H . . 3.800 2.688 2.504 2.860 . 0 0 "[ . 1 . 2]" 2
175 1 59 TRP H 1 59 TRP HE3 . . 5.440 5.291 4.892 5.465 0.025 13 0 "[ . 1 . 2]" 2
176 1 42 MET H 1 43 ASP H . . 4.450 2.950 2.621 3.121 . 0 0 "[ . 1 . 2]" 2
177 1 65 HIS HD2 1 66 ARG H . . 4.200 3.758 3.010 4.016 . 0 0 "[ . 1 . 2]" 2
178 1 35 TYR H 1 35 TYR QD . . 3.460 2.193 1.666 2.812 . 0 0 "[ . 1 . 2]" 2
179 1 53 GLN H 1 54 PHE H . . 4.150 2.890 2.764 2.993 . 0 0 "[ . 1 . 2]" 2
180 1 54 PHE H 1 54 PHE QD . . 4.150 3.965 3.819 4.151 0.001 5 0 "[ . 1 . 2]" 2
181 1 24 ASP H 1 25 TYR H . . 4.130 2.757 2.656 2.835 . 0 0 "[ . 1 . 2]" 2
182 1 13 PHE QD 1 14 PHE H . . 4.000 3.936 3.543 4.065 0.065 1 0 "[ . 1 . 2]" 2
183 1 14 PHE H 1 14 PHE QD . . 3.670 2.757 2.487 3.343 . 0 0 "[ . 1 . 2]" 2
184 1 34 ILE H 1 36 GLN H . . 4.500 3.815 3.761 3.852 . 0 0 "[ . 1 . 2]" 2
185 1 26 PHE H 1 26 PHE QE . . 4.970 5.035 4.949 5.052 0.082 12 0 "[ . 1 . 2]" 2
186 1 30 GLY H 1 32 THR H . . 4.420 4.350 4.183 4.479 0.059 2 0 "[ . 1 . 2]" 2
187 1 10 ILE H 1 12 SER H . . 4.840 4.823 4.674 4.905 0.065 1 0 "[ . 1 . 2]" 2
188 1 67 GLN QB 1 68 LEU H . . 3.490 2.982 2.668 3.574 0.084 3 0 "[ . 1 . 2]" 2
189 1 66 ARG QD 1 67 GLN H . . 2.990 3.041 2.888 3.090 0.100 12 0 "[ . 1 . 2]" 2
190 1 11 VAL MG1 1 12 SER H . . 4.090 4.043 3.899 4.164 0.074 9 0 "[ . 1 . 2]" 2
191 1 64 ASP HA 1 66 ARG H . . 5.500 4.823 4.583 4.926 . 0 0 "[ . 1 . 2]" 2
192 1 13 PHE QE 1 65 HIS H . . 5.500 5.166 4.864 5.550 0.050 5 0 "[ . 1 . 2]" 2
193 1 64 ASP H 1 67 GLN H . . 4.830 4.517 4.414 4.604 . 0 0 "[ . 1 . 2]" 2
194 1 63 LEU MD1 1 64 ASP H . . 4.870 4.722 4.374 4.791 . 0 0 "[ . 1 . 2]" 2
195 1 63 LEU MD2 1 64 ASP H . . 4.870 4.427 4.249 4.941 0.071 7 0 "[ . 1 . 2]" 2
196 1 13 PHE QE 1 63 LEU H . . 5.380 5.436 5.329 5.459 0.079 17 0 "[ . 1 . 2]" 2
197 1 62 ILE H 1 62 ILE QG . . 4.180 4.050 3.775 4.158 . 0 0 "[ . 1 . 2]" 2
198 1 61 GLY H 1 62 ILE MG . . 4.600 4.379 4.073 4.668 0.068 18 0 "[ . 1 . 2]" 2
199 1 59 TRP HE3 1 60 LYS H . . 4.890 3.920 3.333 4.401 . 0 0 "[ . 1 . 2]" 2
200 1 58 ILE MG 1 59 TRP H . . 3.660 2.081 1.957 2.229 . 0 0 "[ . 1 . 2]" 2
201 1 58 ILE HG12 1 59 TRP H . . 4.630 3.557 2.972 4.451 . 0 0 "[ . 1 . 2]" 2
202 1 58 ILE HG13 1 59 TRP H . . 4.630 3.843 2.976 4.455 . 0 0 "[ . 1 . 2]" 2
203 1 58 ILE MD 1 59 TRP H . . 4.260 4.126 3.879 4.316 0.056 11 0 "[ . 1 . 2]" 2
204 1 59 TRP H 1 59 TRP HD1 . . 4.470 4.314 4.213 4.479 0.009 11 0 "[ . 1 . 2]" 2
205 1 57 ALA MB 1 58 ILE H . . 3.290 2.427 2.290 2.568 . 0 0 "[ . 1 . 2]" 2
206 1 58 ILE H 1 58 ILE MG . . 3.860 1.810 1.743 1.923 . 0 0 "[ . 1 . 2]" 2
207 1 58 ILE H 1 58 ILE HG12 . . 4.520 4.398 4.204 4.585 0.065 6 0 "[ . 1 . 2]" 2
208 1 58 ILE H 1 58 ILE HG13 . . 4.520 4.421 4.233 4.552 0.032 4 0 "[ . 1 . 2]" 2
209 1 55 ARG H 1 55 ARG QD . . 4.740 4.429 3.792 4.788 0.048 3 0 "[ . 1 . 2]" 2
210 1 55 ARG H 1 55 ARG QG . . 4.190 3.659 2.874 4.056 . 0 0 "[ . 1 . 2]" 2
211 1 50 ILE MG 1 55 ARG H . . 5.500 2.619 2.514 2.747 . 0 0 "[ . 1 . 2]" 2
212 1 51 PRO QD 1 52 GLU H . . 5.500 4.979 4.925 5.014 . 0 0 "[ . 1 . 2]" 2
213 1 52 GLU H 1 52 GLU HG3 . . 5.500 3.407 2.020 4.007 . 0 0 "[ . 1 . 2]" 2
214 1 51 PRO QD 1 54 PHE H . . 5.040 4.277 4.007 4.731 . 0 0 "[ . 1 . 2]" 2
215 1 50 ILE MG 1 54 PHE H . . 4.300 4.143 3.921 4.362 0.062 9 0 "[ . 1 . 2]" 2
216 1 54 PHE H 1 55 ARG HA . . 5.500 4.865 4.591 5.310 . 0 0 "[ . 1 . 2]" 2
217 1 42 MET H 1 42 MET QG . . 3.290 2.452 2.093 3.363 0.073 11 0 "[ . 1 . 2]" 2
218 1 39 HIS HD2 1 40 TYR H . . 5.130 4.954 4.402 5.193 0.063 6 0 "[ . 1 . 2]" 2
219 1 37 ILE HA 1 40 TYR H . . 4.280 2.802 2.533 2.985 . 0 0 "[ . 1 . 2]" 2
220 1 37 ILE HG12 1 38 GLU H . . 4.450 3.435 3.153 3.745 . 0 0 "[ . 1 . 2]" 2
221 1 37 ILE H 1 37 ILE HG13 . . 3.650 3.037 2.776 3.239 . 0 0 "[ . 1 . 2]" 2
222 1 37 ILE H 1 37 ILE MG . . 3.720 2.337 2.153 2.574 . 0 0 "[ . 1 . 2]" 2
223 1 35 TYR H 1 36 GLN H . . 2.660 2.726 2.719 2.730 0.070 13 0 "[ . 1 . 2]" 2
224 1 33 THR MG 1 36 GLN H . . 4.900 3.502 3.280 3.688 . 0 0 "[ . 1 . 2]" 2
225 1 34 ILE MG 1 35 TYR H . . 4.140 3.588 3.384 3.919 . 0 0 "[ . 1 . 2]" 2
226 1 33 THR MG 1 34 ILE H . . 4.400 4.319 4.283 4.384 . 0 0 "[ . 1 . 2]" 2
227 1 34 ILE H 1 34 ILE HB . . 3.080 2.796 2.592 3.082 0.002 6 0 "[ . 1 . 2]" 2
228 1 34 ILE H 1 34 ILE HG13 . . 3.790 3.095 2.202 3.764 . 0 0 "[ . 1 . 2]" 2
229 1 33 THR H 1 33 THR MG . . 3.310 2.446 2.339 2.597 . 0 0 "[ . 1 . 2]" 2
230 1 10 ILE QG 1 33 THR H . . 3.860 2.296 1.974 3.047 . 0 0 "[ . 1 . 2]" 2
231 1 10 ILE MG 1 33 THR H . . 4.680 4.197 3.553 4.647 . 0 0 "[ . 1 . 2]" 2
232 1 32 THR H 1 33 THR MG . . 3.650 3.723 3.685 3.738 0.088 3 0 "[ . 1 . 2]" 2
233 1 31 LEU H 1 31 LEU HG . . 3.180 2.240 2.035 2.361 . 0 0 "[ . 1 . 2]" 2
234 1 31 LEU H 1 31 LEU QB . . 3.210 3.159 3.047 3.245 0.035 11 0 "[ . 1 . 2]" 2
235 1 29 GLN QG 1 31 LEU H . . 5.160 5.007 4.648 5.213 0.053 11 0 "[ . 1 . 2]" 2
236 1 27 THR HA 1 31 LEU H . . 4.240 4.248 3.921 4.311 0.071 4 0 "[ . 1 . 2]" 2
237 1 29 GLN QG 1 30 GLY H . . 4.330 4.336 4.212 4.390 0.060 2 0 "[ . 1 . 2]" 2
238 1 30 GLY H 1 31 LEU MD1 . . 5.090 4.117 3.611 5.156 0.066 4 0 "[ . 1 . 2]" 2
239 1 27 THR MG 1 30 GLY H . . 5.500 5.144 4.987 5.395 . 0 0 "[ . 1 . 2]" 2
240 1 30 GLY H 1 31 LEU MD2 . . 5.090 4.969 4.775 5.018 . 0 0 "[ . 1 . 2]" 2
241 1 29 GLN H 1 29 GLN HB2 . . 3.750 2.336 2.142 2.398 . 0 0 "[ . 1 . 2]" 2
242 1 29 GLN H 1 29 GLN HB3 . . 3.750 3.545 3.423 3.621 . 0 0 "[ . 1 . 2]" 2
243 1 28 THR H 1 29 GLN QG . . 5.500 4.459 4.268 4.687 . 0 0 "[ . 1 . 2]" 2
244 1 24 ASP QB 1 27 THR H . . 5.500 5.135 4.959 5.283 . 0 0 "[ . 1 . 2]" 2
245 1 23 LEU QB 1 27 THR H . . 5.390 4.789 4.512 5.086 . 0 0 "[ . 1 . 2]" 2
246 1 27 THR H 1 32 THR MG . . 4.160 3.562 3.117 3.926 . 0 0 "[ . 1 . 2]" 2
247 1 26 PHE H 1 32 THR MG . . 5.500 5.216 4.538 5.559 0.059 12 0 "[ . 1 . 2]" 2
248 1 26 PHE H 1 50 ILE MD . . 5.500 5.423 5.011 5.569 0.069 10 0 "[ . 1 . 2]" 2
249 1 22 CYS HA 1 24 ASP H . . 4.250 4.296 4.225 4.316 0.066 13 0 "[ . 1 . 2]" 2
250 1 23 LEU QB 1 24 ASP H . . 3.960 3.471 3.367 3.602 . 0 0 "[ . 1 . 2]" 2
251 1 23 LEU QD 1 24 ASP H . . 4.980 3.101 2.979 3.229 . 0 0 "[ . 1 . 2]" 2
252 1 22 CYS H 1 25 TYR QD . . 4.970 4.777 4.388 5.046 0.076 11 0 "[ . 1 . 2]" 2
253 1 14 PHE QD 1 22 CYS H . . 5.280 4.941 4.457 5.347 0.067 10 0 "[ . 1 . 2]" 2
254 1 22 CYS H 1 23 LEU QB . . 4.710 4.626 4.504 4.750 0.040 4 0 "[ . 1 . 2]" 2
255 1 22 CYS H 1 23 LEU H . . 2.660 2.697 2.654 2.721 0.061 18 0 "[ . 1 . 2]" 2
256 1 17 LEU HG 1 19 CYS H . . 4.900 4.961 4.939 4.976 0.076 1 0 "[ . 1 . 2]" 2
257 1 16 ARG H 1 16 ARG QD . . 4.830 4.236 3.858 4.527 . 0 0 "[ . 1 . 2]" 2
258 1 14 PHE QD 1 15 ALA H . . 4.550 4.602 4.545 4.621 0.071 7 0 "[ . 1 . 2]" 2
259 1 11 VAL HA 1 15 ALA H . . 4.980 4.020 3.787 4.281 . 0 0 "[ . 1 . 2]" 2
260 1 12 SER QB 1 14 PHE H . . 5.340 4.866 4.771 5.073 . 0 0 "[ . 1 . 2]" 2
261 1 11 VAL HB 1 13 PHE H . . 5.440 5.504 5.482 5.513 0.073 16 0 "[ . 1 . 2]" 2
262 1 13 PHE H 1 34 ILE MG . . 5.370 5.446 5.348 5.466 0.096 15 0 "[ . 1 . 2]" 2
263 1 10 ILE MG 1 11 VAL H . . 3.830 3.581 3.091 3.911 0.081 1 0 "[ . 1 . 2]" 2
264 1 10 ILE H 1 11 VAL HA . . 5.500 5.366 5.189 5.471 . 0 0 "[ . 1 . 2]" 2
265 1 59 TRP HA 1 59 TRP HE1 . . 5.500 4.586 4.433 4.743 . 0 0 "[ . 1 . 2]" 2
266 1 9 SER H 1 13 PHE QB . . 5.340 5.304 4.964 5.417 0.077 18 0 "[ . 1 . 2]" 2
267 1 9 SER QB 1 11 VAL H . . 3.760 2.897 2.449 3.343 . 0 0 "[ . 1 . 2]" 2
268 1 11 VAL QG 1 12 SER H . . 3.230 2.033 1.947 2.178 . 0 0 "[ . 1 . 2]" 2
269 1 11 VAL QG 1 15 ALA H . . 5.350 4.829 4.701 4.954 . 0 0 "[ . 1 . 2]" 2
270 1 12 SER H 1 13 PHE QB . . 4.640 4.424 4.275 4.574 . 0 0 "[ . 1 . 2]" 2
271 1 13 PHE QB 1 14 PHE H . . 3.280 2.511 2.371 2.647 . 0 0 "[ . 1 . 2]" 2
272 1 13 PHE QB 1 15 ALA H . . 5.320 4.738 4.604 4.905 . 0 0 "[ . 1 . 2]" 2
273 1 13 PHE QE 1 61 GLY QA . . 3.260 3.282 2.819 3.349 0.089 13 0 "[ . 1 . 2]" 2
274 1 14 PHE H 1 14 PHE QB . . 2.790 2.201 2.098 2.343 . 0 0 "[ . 1 . 2]" 2
275 1 14 PHE H 1 17 LEU QD . . 4.700 4.412 4.071 4.653 . 0 0 "[ . 1 . 2]" 2
276 1 14 PHE QB 1 15 ALA H . . 3.330 2.763 2.615 2.863 . 0 0 "[ . 1 . 2]" 2
277 1 14 PHE QB 1 19 CYS H . . 4.050 3.692 3.299 3.992 . 0 0 "[ . 1 . 2]" 2
278 1 15 ALA H 1 16 ARG QG . . 5.210 4.635 4.123 4.942 . 0 0 "[ . 1 . 2]" 2
279 1 17 LEU QD 1 62 ILE H . . 4.070 4.138 4.034 4.170 0.100 10 0 "[ . 1 . 2]" 2
280 1 22 CYS H 1 22 CYS QB . . 3.050 2.563 2.242 2.746 . 0 0 "[ . 1 . 2]" 2
281 1 25 TYR QB 1 27 THR H . . 5.340 4.840 4.734 4.966 . 0 0 "[ . 1 . 2]" 2
282 1 29 GLN H 1 31 LEU QD . . 4.940 3.993 3.763 4.486 . 0 0 "[ . 1 . 2]" 2
283 1 29 GLN QB 1 31 LEU H . . 3.180 3.041 2.746 3.130 . 0 0 "[ . 1 . 2]" 2
284 1 29 GLN QB 1 32 THR H . . 4.990 5.056 4.969 5.075 0.085 3 0 "[ . 1 . 2]" 2
285 1 31 LEU H 1 31 LEU QD . . 3.530 2.414 2.040 3.162 . 0 0 "[ . 1 . 2]" 2
286 1 34 ILE H 1 34 ILE QG . . 3.110 2.178 2.015 2.323 . 0 0 "[ . 1 . 2]" 2
287 1 36 GLN H 1 36 GLN QG . . 2.820 2.842 2.658 2.900 0.080 16 0 "[ . 1 . 2]" 2
288 1 36 GLN H 1 37 ILE QG . . 4.020 3.776 3.672 3.868 . 0 0 "[ . 1 . 2]" 2
289 1 37 ILE QG 1 38 GLU H . . 3.810 2.662 2.409 2.893 . 0 0 "[ . 1 . 2]" 2
290 1 38 GLU H 1 38 GLU QB . . 3.140 2.253 1.961 2.717 . 0 0 "[ . 1 . 2]" 2
291 1 40 TYR H 1 40 TYR QB . . 2.900 2.324 2.213 2.425 . 0 0 "[ . 1 . 2]" 2
292 1 40 TYR QB 1 41 SER H . . 3.910 3.582 2.811 3.785 . 0 0 "[ . 1 . 2]" 2
293 1 40 TYR QB 1 44 ASP H . . 5.300 4.615 4.219 4.950 . 0 0 "[ . 1 . 2]" 2
294 1 41 SER H 1 44 ASP QB . . 3.400 3.117 2.716 3.448 0.048 20 0 "[ . 1 . 2]" 2
295 1 43 ASP QB 1 44 ASP H . . 3.530 2.532 2.317 2.906 . 0 0 "[ . 1 . 2]" 2
296 1 44 ASP H 1 44 ASP QB . . 2.900 2.186 2.022 2.350 . 0 0 "[ . 1 . 2]" 2
297 1 54 PHE H 1 54 PHE QB . . 3.030 2.304 2.084 2.572 . 0 0 "[ . 1 . 2]" 2
298 1 58 ILE H 1 59 TRP QB . . 4.910 4.469 4.328 4.592 . 0 0 "[ . 1 . 2]" 2
299 1 58 ILE QG 1 59 TRP HD1 . . 3.910 3.977 3.911 3.996 0.086 11 0 "[ . 1 . 2]" 2
300 1 59 TRP HZ3 1 63 LEU QD . . 4.720 3.653 2.923 3.993 . 0 0 "[ . 1 . 2]" 2
301 1 59 TRP HZ2 1 63 LEU QD . . 3.500 2.920 2.609 3.307 . 0 0 "[ . 1 . 2]" 2
302 1 60 LYS QB 1 61 GLY H . . 2.660 2.663 2.516 2.725 0.065 7 0 "[ . 1 . 2]" 2
303 1 61 GLY H 1 64 ASP QB . . 5.100 4.675 4.343 4.930 . 0 0 "[ . 1 . 2]" 2
304 1 61 GLY QA 1 64 ASP H . . 3.820 3.594 3.447 3.756 . 0 0 "[ . 1 . 2]" 2
305 1 62 ILE H 1 65 HIS QB . . 5.340 4.688 4.468 4.785 . 0 0 "[ . 1 . 2]" 2
306 1 64 ASP H 1 64 ASP QB . . 2.870 2.336 2.173 2.434 . 0 0 "[ . 1 . 2]" 2
307 1 64 ASP QB 1 65 HIS H . . 3.340 2.733 2.494 3.379 0.039 16 0 "[ . 1 . 2]" 2
308 1 65 HIS QB 1 66 ARG H . . 3.460 2.374 2.271 2.580 . 0 0 "[ . 1 . 2]" 2
309 1 65 HIS QB 1 67 GLN H . . 5.070 4.515 4.432 4.666 . 0 0 "[ . 1 . 2]" 2
310 1 69 HIS QB 1 70 ASP H . . 3.880 3.137 2.056 3.941 0.061 15 0 "[ . 1 . 2]" 2
311 1 10 ILE H 1 11 VAL QG . . 4.550 3.699 3.564 3.868 . 0 0 "[ . 1 . 2]" 2
312 1 11 VAL H 1 11 VAL QG . . 2.640 1.923 1.861 1.970 . 0 0 "[ . 1 . 2]" 2
313 1 11 VAL QG 1 13 PHE H . . 4.220 4.164 4.036 4.278 0.058 20 0 "[ . 1 . 2]" 2
314 1 13 PHE QE 1 65 HIS QB . . 5.200 3.378 2.773 4.245 . 0 0 "[ . 1 . 2]" 2
315 1 14 PHE QB 1 16 ARG H . . 5.340 4.805 4.615 5.028 . 0 0 "[ . 1 . 2]" 2
316 1 14 PHE QB 1 23 LEU H . . 4.610 4.209 3.903 4.588 . 0 0 "[ . 1 . 2]" 2
317 1 17 LEU H 1 17 LEU QD . . 3.430 3.174 2.777 3.451 0.021 9 0 "[ . 1 . 2]" 2
318 1 17 LEU QD 1 19 CYS H . . 5.140 4.065 3.712 4.532 . 0 0 "[ . 1 . 2]" 2
319 1 17 LEU QD 1 61 GLY H . . 4.280 3.980 3.714 4.211 . 0 0 "[ . 1 . 2]" 2
320 1 25 TYR H 1 25 TYR QB . . 3.220 2.539 2.466 2.657 . 0 0 "[ . 1 . 2]" 2
321 1 25 TYR QB 1 26 PHE H . . 3.400 2.413 2.281 2.584 . 0 0 "[ . 1 . 2]" 2
322 1 29 GLN H 1 29 GLN QB . . 2.970 2.305 2.121 2.366 . 0 0 "[ . 1 . 2]" 2
323 1 29 GLN QB 1 30 GLY H . . 4.340 3.003 2.777 3.307 . 0 0 "[ . 1 . 2]" 2
324 1 30 GLY H 1 31 LEU QD . . 4.460 3.897 3.531 4.452 . 0 0 "[ . 1 . 2]" 2
325 1 31 LEU QD 1 32 THR H . . 4.070 3.391 3.091 4.025 . 0 0 "[ . 1 . 2]" 2
326 1 31 LEU QD 1 33 THR H . . 5.440 4.779 4.621 4.928 . 0 0 "[ . 1 . 2]" 2
327 1 33 THR H 1 37 ILE QG . . 5.340 4.396 4.011 4.678 . 0 0 "[ . 1 . 2]" 2
328 1 37 ILE H 1 37 ILE QG . . 3.170 2.084 1.956 2.235 . 0 0 "[ . 1 . 2]" 2
329 1 48 LEU QD 1 50 ILE H . . 5.440 4.843 4.572 5.129 . 0 0 "[ . 1 . 2]" 2
330 1 59 TRP QB 1 59 TRP HE3 . . 3.490 2.494 2.384 2.582 . 0 0 "[ . 1 . 2]" 2
331 1 59 TRP QB 1 60 LYS H . . 3.870 2.547 2.383 2.741 . 0 0 "[ . 1 . 2]" 2
332 1 59 TRP HE1 1 63 LEU QD . . 3.740 3.006 2.470 3.148 . 0 0 "[ . 1 . 2]" 2
333 1 59 TRP HH2 1 63 LEU QD . . 4.530 3.244 2.681 3.662 . 0 0 "[ . 1 . 2]" 2
334 1 61 GLY QA 1 65 HIS H . . 4.780 4.068 3.785 4.197 . 0 0 "[ . 1 . 2]" 2
335 1 63 LEU H 1 63 LEU QD . . 3.720 2.479 2.364 2.579 . 0 0 "[ . 1 . 2]" 2
336 1 63 LEU QD 1 64 ASP H . . 4.260 4.040 3.975 4.121 . 0 0 "[ . 1 . 2]" 2
337 1 63 LEU QD 1 66 ARG H . . 5.240 4.668 4.339 5.151 . 0 0 "[ . 1 . 2]" 2
338 1 64 ASP H 1 65 HIS QB . . 4.240 4.175 4.097 4.259 0.019 19 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 225
_Distance_constraint_stats_list.Viol_total 200.368
_Distance_constraint_stats_list.Viol_max 0.073
_Distance_constraint_stats_list.Viol_rms 0.0209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0109
_Distance_constraint_stats_list.Viol_average_violations_only 0.0445
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.133 0.058 7 0 "[ . 1 . 2]"
1 12 SER 1.093 0.071 11 0 "[ . 1 . 2]"
1 13 PHE 0.125 0.067 1 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.133 0.058 7 0 "[ . 1 . 2]"
1 16 ARG 1.093 0.071 11 0 "[ . 1 . 2]"
1 17 LEU 0.125 0.067 1 0 "[ . 1 . 2]"
1 21 SER 0.673 0.060 18 0 "[ . 1 . 2]"
1 22 CYS 1.278 0.059 6 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 0.180 0.048 12 0 "[ . 1 . 2]"
1 25 TYR 1.143 0.067 4 0 "[ . 1 . 2]"
1 26 PHE 1.278 0.059 6 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.180 0.048 12 0 "[ . 1 . 2]"
1 29 GLN 0.470 0.067 4 0 "[ . 1 . 2]"
1 42 MET 0.255 0.052 15 0 "[ . 1 . 2]"
1 43 ASP 0.250 0.053 2 0 "[ . 1 . 2]"
1 44 ASP 0.672 0.067 12 0 "[ . 1 . 2]"
1 46 ALA 0.255 0.052 15 0 "[ . 1 . 2]"
1 47 SER 0.250 0.053 2 0 "[ . 1 . 2]"
1 48 LEU 0.672 0.067 12 0 "[ . 1 . 2]"
1 55 ARG 0.592 0.062 1 0 "[ . 1 . 2]"
1 56 HIS 0.028 0.028 15 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.627 0.065 1 0 "[ . 1 . 2]"
1 59 TRP 0.592 0.062 1 0 "[ . 1 . 2]"
1 60 LYS 0.121 0.054 12 0 "[ . 1 . 2]"
1 61 GLY 0.717 0.067 3 0 "[ . 1 . 2]"
1 62 ILE 0.938 0.065 1 0 "[ . 1 . 2]"
1 63 LEU 1.143 0.073 6 0 "[ . 1 . 2]"
1 64 ASP 0.993 0.072 11 0 "[ . 1 . 2]"
1 65 HIS 1.197 0.067 3 0 "[ . 1 . 2]"
1 66 ARG 0.311 0.064 14 0 "[ . 1 . 2]"
1 67 GLN 1.143 0.073 6 0 "[ . 1 . 2]"
1 68 LEU 0.901 0.072 11 0 "[ . 1 . 2]"
1 69 HIS 0.480 0.065 13 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 10 ILE O 1 14 PHE N . . 3.100 2.766 2.731 2.835 . 0 0 "[ . 1 . 2]" 3
2 1 10 ILE O 1 14 PHE H . . 2.100 1.761 1.721 1.819 . 0 0 "[ . 1 . 2]" 3
3 1 11 VAL O 1 15 ALA N . . 3.100 2.924 2.835 3.089 . 0 0 "[ . 1 . 2]" 3
4 1 11 VAL O 1 15 ALA H . . 2.100 1.978 1.883 2.158 0.058 7 0 "[ . 1 . 2]" 3
5 1 12 SER O 1 16 ARG N . . 3.100 3.075 2.899 3.153 0.053 1 0 "[ . 1 . 2]" 3
6 1 12 SER O 1 16 ARG H . . 2.100 2.123 1.907 2.171 0.071 11 0 "[ . 1 . 2]" 3
7 1 13 PHE O 1 17 LEU N . . 3.100 2.943 2.794 3.137 0.037 1 0 "[ . 1 . 2]" 3
8 1 13 PHE O 1 17 LEU H . . 2.100 1.989 1.921 2.167 0.067 1 0 "[ . 1 . 2]" 3
9 1 21 SER O 1 25 TYR N . . 3.100 3.055 2.931 3.160 0.060 18 0 "[ . 1 . 2]" 3
10 1 21 SER O 1 25 TYR H . . 2.100 2.075 1.923 2.156 0.056 5 0 "[ . 1 . 2]" 3
11 1 22 CYS O 1 26 PHE N . . 3.100 3.103 2.879 3.159 0.059 6 0 "[ . 1 . 2]" 3
12 1 22 CYS O 1 26 PHE H . . 2.100 2.098 1.865 2.158 0.058 7 0 "[ . 1 . 2]" 3
13 1 23 LEU O 1 27 THR N . . 3.100 2.862 2.765 2.992 . 0 0 "[ . 1 . 2]" 3
14 1 23 LEU O 1 27 THR H . . 2.100 1.880 1.769 2.052 . 0 0 "[ . 1 . 2]" 3
15 1 24 ASP O 1 28 THR N . . 3.100 2.976 2.780 3.147 0.047 12 0 "[ . 1 . 2]" 3
16 1 24 ASP O 1 28 THR H . . 2.100 1.987 1.767 2.148 0.048 12 0 "[ . 1 . 2]" 3
17 1 25 TYR O 1 29 GLN N . . 3.100 2.964 2.832 3.135 0.035 8 0 "[ . 1 . 2]" 3
18 1 25 TYR O 1 29 GLN H . . 2.100 2.051 1.869 2.167 0.067 4 0 "[ . 1 . 2]" 3
19 1 42 MET O 1 46 ALA N . . 3.100 2.964 2.832 3.099 . 0 0 "[ . 1 . 2]" 3
20 1 42 MET O 1 46 ALA H . . 2.100 2.024 1.846 2.152 0.052 15 0 "[ . 1 . 2]" 3
21 1 43 ASP O 1 47 SER N . . 3.100 2.992 2.854 3.098 . 0 0 "[ . 1 . 2]" 3
22 1 43 ASP O 1 47 SER H . . 2.100 2.038 1.870 2.153 0.053 2 0 "[ . 1 . 2]" 3
23 1 44 ASP O 1 48 LEU N . . 3.100 2.930 2.803 3.131 0.031 12 0 "[ . 1 . 2]" 3
24 1 44 ASP O 1 48 LEU H . . 2.100 2.071 1.837 2.167 0.067 12 0 "[ . 1 . 2]" 3
25 1 55 ARG O 1 59 TRP N . . 3.100 3.049 2.928 3.158 0.058 1 0 "[ . 1 . 2]" 3
26 1 55 ARG O 1 59 TRP H . . 2.100 2.062 1.948 2.162 0.062 1 0 "[ . 1 . 2]" 3
27 1 56 HIS O 1 60 LYS N . . 3.100 2.894 2.783 3.048 . 0 0 "[ . 1 . 2]" 3
28 1 56 HIS O 1 60 LYS H . . 2.100 1.943 1.826 2.128 0.028 15 0 "[ . 1 . 2]" 3
29 1 57 ALA O 1 61 GLY N . . 3.100 2.894 2.757 3.018 . 0 0 "[ . 1 . 2]" 3
30 1 57 ALA O 1 61 GLY H . . 2.100 1.957 1.817 2.096 . 0 0 "[ . 1 . 2]" 3
31 1 58 ILE O 1 62 ILE N . . 3.100 3.070 2.981 3.165 0.065 1 0 "[ . 1 . 2]" 3
32 1 58 ILE O 1 62 ILE H . . 2.100 2.077 2.000 2.152 0.052 1 0 "[ . 1 . 2]" 3
33 1 59 TRP O 1 63 LEU N . . 3.100 2.913 2.819 3.045 . 0 0 "[ . 1 . 2]" 3
34 1 59 TRP O 1 63 LEU H . . 2.100 1.914 1.823 2.070 . 0 0 "[ . 1 . 2]" 3
35 1 60 LYS O 1 64 ASP N . . 3.100 2.822 2.731 2.940 . 0 0 "[ . 1 . 2]" 3
36 1 60 LYS O 1 64 ASP H . . 2.100 2.007 1.883 2.154 0.054 12 0 "[ . 1 . 2]" 3
37 1 61 GLY O 1 65 HIS N . . 3.100 2.961 2.821 3.055 . 0 0 "[ . 1 . 2]" 3
38 1 61 GLY O 1 65 HIS H . . 2.100 2.111 1.913 2.167 0.067 3 0 "[ . 1 . 2]" 3
39 1 62 ILE O 1 66 ARG N . . 3.100 2.932 2.828 3.160 0.060 14 0 "[ . 1 . 2]" 3
40 1 62 ILE O 1 66 ARG H . . 2.100 1.924 1.819 2.164 0.064 14 0 "[ . 1 . 2]" 3
41 1 63 LEU O 1 67 GLN N . . 3.100 2.990 2.888 3.097 . 0 0 "[ . 1 . 2]" 3
42 1 63 LEU O 1 67 GLN H . . 2.100 2.157 2.137 2.173 0.073 6 0 "[ . 1 . 2]" 3
43 1 64 ASP O 1 68 LEU N . . 3.100 2.945 2.784 3.097 . 0 0 "[ . 1 . 2]" 3
44 1 64 ASP O 1 68 LEU H . . 2.100 2.126 1.911 2.172 0.072 11 0 "[ . 1 . 2]" 3
45 1 65 HIS O 1 69 HIS N . . 3.100 2.823 2.724 3.019 . 0 0 "[ . 1 . 2]" 3
46 1 65 HIS O 1 69 HIS H . . 2.100 2.028 1.794 2.165 0.065 13 0 "[ . 1 . 2]" 3
stop_
save_
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