NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
652443 |
6sve   |
34433 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6sve
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 441
_Distance_constraint_stats_list.Viol_count 7728
_Distance_constraint_stats_list.Viol_total 132052.625
_Distance_constraint_stats_list.Viol_max 5.344
_Distance_constraint_stats_list.Viol_rms 0.8029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7486
_Distance_constraint_stats_list.Viol_average_violations_only 0.8544
_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 145.632 3.052 20 20 [**********-********+]
1 3 LEU 441.533 3.052 20 20 [************-******+]
1 4 PRO 283.713 3.635 5 20 [****+*******-*******]
1 5 PRO 130.781 2.511 14 20 [******-******+******]
1 6 GLY 247.365 2.511 14 20 [*************+**-***]
1 7 TRP 721.394 4.691 6 20 [*****+************-*]
1 8 GLU 141.269 2.053 11 20 [**********+*******-*]
1 9 LYS 615.565 4.446 16 20 [***************+***-]
1 10 ARG 437.510 4.095 9 20 [*****-**+***********]
1 11 MET 402.053 4.599 9 20 [**-*****+***********]
1 12 SER 222.358 3.850 17 20 [****************+-**]
1 13 ARG 114.175 3.303 5 20 [****+***********-***]
1 14 ASN 69.273 4.003 1 20 [+***************-***]
1 15 SER 203.443 3.303 5 20 [****+******-********]
1 16 GLY 183.382 4.599 9 20 [*****-**+***********]
1 17 ARG 310.456 3.850 17 20 [***************-+***]
1 18 VAL 412.160 3.477 2 20 [*+*********-********]
1 19 TYR 482.305 4.095 9 20 [********+***********]
1 20 TYR 1024.840 4.446 16 20 [********-******+****]
1 21 PHE 510.177 3.533 18 20 [**************-**+**]
1 22 ASN 454.227 2.589 19 20 [*****-************+*]
1 23 HIS 400.687 3.101 19 20 [*****************-+*]
1 24 ILE 609.177 3.101 19 20 [*******-**********+*]
1 25 THR 404.378 2.589 19 20 [*****************-+*]
1 26 ASN 322.078 1.947 6 20 [***-*+**************]
1 27 ALA 320.223 2.492 16 20 [*****-*********+****]
1 28 SER 268.439 3.470 17 20 [***************-+***]
1 29 GLN 765.867 5.344 1 20 [+*******-***********]
1 30 PHE 147.042 3.096 20 20 [********-**********+]
1 31 GLU 326.642 5.344 1 20 [+***-***************]
1 32 ARG 356.281 5.002 11 20 [**********+*****-***]
1 33 PRO 504.695 2.495 11 20 [**********+*********]
1 34 SER 157.435 1.791 11 20 [-*********+*********]
1 35 GLY 75.700 3.566 8 20 [*******+*********-**]
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 HA 1 2 LYS QG . . 2.290 3.309 2.612 3.361 1.071 16 19 [***********-***+***2] 1
2 1 2 LYS HA 1 2 LYS HD3 . . 4.710 4.622 4.274 4.782 0.072 14 0 "[ . 1 . 2]" 1
3 1 2 LYS HA 1 3 LEU HG . . 3.110 6.091 6.041 6.162 3.052 20 20 [******-************+] 1
4 1 2 LYS HA 1 3 LEU QD . . 3.270 4.196 4.043 4.340 1.070 5 20 [****+**-************] 1
5 1 2 LYS H 1 2 LYS QG . . 1.780 2.206 1.935 2.667 0.887 20 8 "[* -* * * .* *+]" 1
6 1 2 LYS QG 1 3 LEU H . . 2.900 4.303 4.207 4.523 1.623 20 20 [************-******+] 1
7 1 2 LYS HD3 1 3 LEU H . . 6.120 6.184 5.952 6.356 0.236 20 0 "[ . 1 . 2]" 1
8 1 3 LEU H 1 3 LEU HA . . 2.830 2.888 2.859 2.907 0.077 8 0 "[ . 1 . 2]" 1
9 1 3 LEU H 1 3 LEU QB . . 2.440 2.723 2.663 2.812 0.372 5 0 "[ . 1 . 2]" 1
10 1 3 LEU H 1 3 LEU HG . . 2.040 4.658 4.642 4.685 2.645 8 20 [******-+************] 1
11 1 3 LEU H 1 3 LEU QD . . 3.440 3.620 3.506 3.797 0.357 5 0 "[ . 1 . 2]" 1
12 1 3 LEU HA 1 3 LEU QB . . 2.460 2.529 2.526 2.531 0.071 5 0 "[ . 1 . 2]" 1
13 1 3 LEU HA 1 3 LEU HG . . 2.490 2.273 2.215 2.341 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU HA 1 3 LEU QD . . 2.440 2.672 2.565 2.757 0.317 7 0 "[ . 1 . 2]" 1
15 1 3 LEU HA 1 4 PRO QD . . 2.020 2.087 2.037 2.128 0.108 16 0 "[ . 1 . 2]" 1
16 1 3 LEU HA 1 33 PRO QG . . 4.670 5.342 5.178 5.605 0.935 19 20 [*************-****+*] 1
17 1 3 LEU QB 1 3 LEU QD . . 2.030 1.827 1.797 1.856 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU QB 1 7 TRP QB . . 1.950 3.709 3.503 3.955 2.005 5 20 [****+**********-****] 1
19 1 3 LEU QB 1 3 LEU HG . . 2.480 2.458 2.427 2.489 0.009 5 0 "[ . 1 . 2]" 1
20 1 3 LEU QB 1 4 PRO QD . . 2.330 2.535 2.374 2.763 0.433 5 0 "[ . 1 . 2]" 1
21 1 3 LEU QB 1 7 TRP H . . 4.040 5.026 4.704 5.381 1.341 5 20 [****+**-************] 1
22 1 3 LEU QD 1 4 PRO QD . . 2.130 2.588 2.527 2.676 0.546 8 3 "[ . + 1 -*. 2]" 1
23 1 3 LEU QD 1 7 TRP H . . 3.310 4.687 4.492 4.823 1.513 3 20 [**+**********-******] 1
24 1 3 LEU QD 1 7 TRP QB . . 1.950 2.661 2.559 2.763 0.813 14 20 [*************+*****-] 1
25 1 3 LEU QD 1 8 GLU H . . 3.540 4.153 3.764 4.388 0.848 5 16 "[****+** ******. *- *]" 1
26 1 3 LEU QD 1 9 LYS H . . 2.990 3.329 2.959 3.590 0.600 1 8 "[+***. * * . *- 2]" 1
27 1 3 LEU QD 1 33 PRO QG . . 2.680 4.249 3.922 4.528 1.848 11 20 [*****-****+*********] 1
28 1 3 LEU QD 1 33 PRO QD . . 3.040 4.191 4.036 4.417 1.377 13 20 [*****-******+*******] 1
29 1 3 LEU QD 1 20 TYR QE . . 2.180 2.245 2.157 2.450 0.270 19 0 "[ . 1 . 2]" 1
30 1 4 PRO QB 1 7 TRP HD1 . . 2.330 2.251 2.122 2.390 0.060 8 0 "[ . 1 . 2]" 1
31 1 4 PRO QB 1 7 TRP HE1 . . 3.340 3.779 3.519 4.133 0.793 6 7 "[ .+ *-1 * ** *]" 1
32 1 4 PRO QG 1 7 TRP HE1 . . 3.570 3.678 3.538 3.936 0.366 14 0 "[ . 1 . 2]" 1
33 1 4 PRO QG 1 35 GLY H . . 3.940 5.866 4.884 7.506 3.566 8 20 [*******+-***********] 1
34 1 4 PRO QG 1 33 PRO QG . . 3.550 2.349 2.150 2.500 . 0 0 "[ . 1 . 2]" 1
35 1 4 PRO QG 1 34 SER HA . . 3.910 5.302 4.805 5.701 1.791 11 20 [*****-****+*********] 1
36 1 4 PRO QD 1 33 PRO QG . . 2.820 3.271 3.142 3.442 0.622 19 6 "[* . 1- ** *+2]" 1
37 1 5 PRO HA 1 6 GLY H . . 1.940 2.179 2.155 2.224 0.284 5 0 "[ . 1 . 2]" 1
38 1 5 PRO HA 1 6 GLY QA . . 2.900 3.939 3.903 3.978 1.078 5 20 [****+********-******] 1
39 1 5 PRO HA 1 7 TRP H . . 3.160 3.670 3.526 3.999 0.839 14 8 "[ .- **1 * +** *]" 1
40 1 5 PRO QB 1 6 GLY H . . 2.520 3.262 3.003 3.603 1.083 14 19 [****.*-******+******] 1
41 1 5 PRO QB 1 24 ILE MD . . 3.030 4.201 3.857 4.558 1.528 16 20 [******-********+****] 1
42 1 5 PRO QG 1 6 GLY H . . 2.240 4.627 4.493 4.751 2.511 14 20 [****-********+******] 1
43 1 4 PRO QB 1 5 PRO HD2 . . 2.000 2.451 2.358 2.525 0.525 13 3 "[ . - 1 +*. 2]" 1
44 1 6 GLY H 1 6 GLY QA . . 2.160 2.307 2.263 2.385 0.225 14 0 "[ . 1 . 2]" 1
45 1 6 GLY H 1 7 TRP H . . 2.490 2.779 2.622 2.936 0.446 5 0 "[ . 1 . 2]" 1
46 1 6 GLY QA 1 24 ILE H . . 2.800 3.800 3.588 4.790 1.990 16 20 [******-********+****] 1
47 1 6 GLY QA 1 24 ILE QG . . 2.980 2.662 2.560 2.791 . 0 0 "[ . 1 . 2]" 1
48 1 6 GLY QA 1 24 ILE MD . . 2.590 2.647 2.443 2.777 0.187 4 0 "[ . 1 . 2]" 1
49 1 6 GLY QA 1 7 TRP H . . 2.450 2.796 2.755 2.839 0.389 10 0 "[ . 1 . 2]" 1
50 1 7 TRP H 1 7 TRP HA . . 2.480 2.899 2.884 2.916 0.436 10 0 "[ . 1 . 2]" 1
51 1 7 TRP HA 1 7 TRP QB . . 2.330 2.412 2.389 2.446 0.116 12 0 "[ . 1 . 2]" 1
52 1 7 TRP HA 1 8 GLU H . . 1.960 2.306 2.197 2.387 0.427 1 0 "[ . 1 . 2]" 1
53 1 7 TRP HA 1 22 ASN HA . . 2.080 2.145 2.056 2.214 0.134 16 0 "[ . 1 . 2]" 1
54 1 7 TRP HA 1 23 HIS H . . 3.330 3.624 3.437 3.762 0.432 6 0 "[ . 1 . 2]" 1
55 1 4 PRO QD 1 7 TRP QB . . 2.350 3.176 2.847 3.398 1.048 1 19 "[+****** ***********-]" 1
56 1 7 TRP QB 1 7 TRP HD1 . . 2.630 2.580 2.540 2.620 . 0 0 "[ . 1 . 2]" 1
57 1 7 TRP QB 1 7 TRP HE3 . . 2.910 2.614 2.543 2.704 . 0 0 "[ . 1 . 2]" 1
58 1 7 TRP QB 1 8 GLU H . . 2.600 2.652 2.439 2.990 0.390 20 0 "[ . 1 . 2]" 1
59 1 7 TRP H 1 7 TRP QB . . 2.670 2.337 2.258 2.384 . 0 0 "[ . 1 . 2]" 1
60 1 3 LEU QD 1 7 TRP HD1 . . 3.250 4.985 4.848 5.157 1.907 14 20 [******-******+******] 1
61 1 4 PRO QD 1 7 TRP HD1 . . 2.980 4.087 4.024 4.174 1.194 11 20 [********-*+*********] 1
62 1 7 TRP H 1 7 TRP HD1 . . 2.320 2.843 2.631 3.171 0.851 6 11 "[ *+**** * ** -*]" 1
63 1 7 TRP HD1 1 33 PRO QG . . 3.800 4.179 3.847 4.465 0.665 11 5 "[-** . 1+ . * 2]" 1
64 1 7 TRP HE3 1 20 TYR HA . . 3.050 3.480 3.335 3.675 0.625 12 4 "[ . *1 + -. *]" 1
65 1 7 TRP HE3 1 20 TYR QB . . 1.640 2.381 2.025 2.626 0.986 7 19 [******+*-**********2] 1
66 1 7 TRP HE3 1 21 PHE H . . 2.800 2.761 2.684 2.844 0.044 16 0 "[ . 1 . 2]" 1
67 1 7 TRP HE3 1 21 PHE HA . . 3.210 3.296 3.151 3.461 0.251 12 0 "[ . 1 . 2]" 1
68 1 7 TRP HE3 1 33 PRO QG . . 3.230 4.472 4.234 4.723 1.493 3 20 [**+****-************] 1
69 1 7 TRP HE1 1 22 ASN QD . . 2.790 2.803 2.678 2.935 0.145 2 0 "[ . 1 . 2]" 1
70 1 7 TRP HE1 1 33 PRO QG . . 4.240 4.057 3.909 4.156 . 0 0 "[ . 1 . 2]" 1
71 1 7 TRP HZ3 1 20 TYR QB . . 1.930 2.880 2.774 3.088 1.158 14 20 [*************+****-*] 1
72 1 7 TRP HZ3 1 22 ASN H . . 2.280 2.873 2.356 3.497 1.217 16 12 "[****. * 1* * .+***-]" 1
73 1 7 TRP HZ3 1 22 ASN QB . . 3.150 3.214 3.101 3.440 0.290 16 0 "[ . 1 . 2]" 1
74 1 7 TRP HZ3 1 28 SER HA . . 2.690 2.756 2.642 2.909 0.219 4 0 "[ . 1 . 2]" 1
75 1 7 TRP HZ3 1 29 GLN H . . 3.080 3.319 3.040 3.789 0.709 2 3 "[-+* . 1 . 2]" 1
76 1 7 TRP HZ3 1 29 GLN QB . . 3.420 3.868 2.778 4.836 1.416 12 11 "[*** * *-** +* . * 2]" 1
77 1 7 TRP HZ3 1 29 GLN QG . . 0.760 3.548 2.278 5.451 4.691 6 20 [-****+**************] 1
78 1 7 TRP HZ2 1 22 ASN QD . . 3.040 2.979 2.822 3.158 0.118 8 0 "[ . 1 . 2]" 1
79 1 7 TRP HZ2 1 27 ALA MB . . 3.220 3.961 3.885 4.085 0.865 4 20 [***+**-*************] 1
80 1 7 TRP HH2 1 27 ALA MB . . 2.550 2.828 2.655 2.977 0.427 4 0 "[ . 1 . 2]" 1
81 1 7 TRP H 1 8 GLU H . . 3.480 4.593 4.555 4.611 1.131 5 20 [****+**************-] 1
82 1 7 TRP HE3 1 8 GLU H . . 2.170 3.097 2.747 3.372 1.202 11 20 [**********+-********] 1
83 1 8 GLU H 1 8 GLU QB . . 2.470 2.795 2.508 3.205 0.735 16 5 "[* . 1 .+**-2]" 1
84 1 8 GLU H 1 8 GLU QG . . 3.060 3.301 2.612 4.193 1.133 5 7 "[ +* **1 **-. 2]" 1
85 1 8 GLU H 1 21 PHE H . . 2.470 2.678 2.464 2.883 0.413 12 0 "[ . 1 . 2]" 1
86 1 8 GLU H 1 22 ASN HA . . 3.230 3.531 3.294 3.922 0.692 1 4 "[+ * . 1 . *-2]" 1
87 1 3 LEU QD 1 8 GLU HA . . 2.950 3.411 2.931 3.826 0.876 7 10 "[-**** + *** * . 2]" 1
88 1 8 GLU H 1 8 GLU HA . . 2.490 2.922 2.885 2.947 0.457 20 0 "[ . 1 . 2]" 1
89 1 8 GLU HA 1 9 LYS H . . 2.020 2.186 2.138 2.239 0.219 14 0 "[ . 1 . 2]" 1
90 1 8 GLU QB 1 9 LYS H . . 2.840 3.178 2.911 3.740 0.900 13 4 "[ - *1 *+ . 2]" 1
91 1 8 GLU QB 1 8 GLU QG . . 2.080 2.057 2.017 2.086 0.006 9 0 "[ . 1 . 2]" 1
92 1 8 GLU QG 1 9 LYS H . . 3.130 3.688 2.949 4.500 1.370 2 10 "[*+ . * ** **-* *]" 1
93 1 8 GLU QG 1 10 ARG QG . . 2.980 3.657 2.464 5.033 2.053 11 9 "[ * .-** *+ ** *]" 1
94 1 9 LYS H 1 9 LYS QB . . 1.940 2.320 2.240 2.401 0.461 2 0 "[ . 1 . 2]" 1
95 1 9 LYS HA 1 9 LYS QB . . 2.000 2.368 2.287 2.459 0.459 10 0 "[ . 1 . 2]" 1
96 1 9 LYS HA 1 9 LYS QE . . 4.080 4.811 4.389 5.159 1.079 5 17 "[****+ -**1****** ***]" 1
97 1 9 LYS HA 1 18 VAL QG . . 3.350 3.830 3.332 4.777 1.427 12 7 "[ * .* ** + *. -]" 1
98 1 9 LYS HA 1 19 TYR H . . 3.230 4.001 3.646 4.626 1.396 12 16 "[ ******-+********]" 1
99 1 9 LYS HA 1 20 TYR HA . . 1.790 3.417 2.878 3.735 1.945 3 20 [**+****************-] 1
100 1 9 LYS HA 1 20 TYR QE . . 2.630 5.580 4.993 5.852 3.222 17 20 [************-***+***] 1
101 1 9 LYS HA 1 21 PHE H . . 2.840 3.882 3.615 4.109 1.269 11 20 [****-*****+*********] 1
102 1 9 LYS QB 1 10 ARG H . . 2.880 3.727 3.510 4.018 1.138 13 20 [************+-******] 1
103 1 9 LYS QB 1 20 TYR QE . . 2.540 4.562 3.726 5.117 2.577 19 20 [************-*****+*] 1
104 1 9 LYS QG 1 10 ARG H . . 1.210 2.662 2.174 3.524 2.314 13 20 [*****-******+*******] 1
105 1 9 LYS QG 1 20 TYR QE . . 1.070 4.804 3.598 5.424 4.354 19 20 [*****-************+*] 1
106 1 9 LYS QD 1 9 LYS QE . . 2.120 2.046 2.012 2.085 . 0 0 "[ . 1 . 2]" 1
107 1 9 LYS QD 1 18 VAL QG . . 2.220 2.589 2.265 3.230 1.010 7 6 "[ . + *1 * **-]" 1
108 1 9 LYS QB 1 9 LYS QE . . 2.260 3.315 3.003 3.466 1.206 15 20 [*********-****+*****] 1
109 1 9 LYS QE 1 18 VAL QG . . 2.280 2.098 1.781 2.588 0.308 10 0 "[ . 1 . 2]" 1
110 1 10 ARG H 1 10 ARG HA . . 2.320 2.934 2.919 2.947 0.627 12 20 [***********+******-*] 1
111 1 10 ARG H 1 10 ARG QB . . 2.460 2.677 2.537 2.838 0.378 2 0 "[ . 1 . 2]" 1
112 1 10 ARG H 1 10 ARG QG . . 2.490 3.023 2.465 3.660 1.170 3 8 "[ +*.* - 1 *.* **2]" 1
113 1 10 ARG H 1 18 VAL QG . . 3.200 3.622 3.151 4.970 1.770 12 6 "[ .** *1 +* - 2]" 1
114 1 10 ARG H 1 19 TYR H . . 2.680 3.169 2.781 4.255 1.575 12 5 "[ . * *1 +* - 2]" 1
115 1 10 ARG H 1 20 TYR HA . . 2.840 4.642 3.965 5.131 2.291 2 20 [*+*****************-] 1
116 1 10 ARG HA 1 10 ARG QB . . 2.290 2.370 2.291 2.496 0.206 3 0 "[ . 1 . 2]" 1
117 1 10 ARG HA 1 10 ARG QG . . 2.010 2.575 2.097 3.007 0.997 12 14 "[** *-* ***+* * ** *]" 1
118 1 10 ARG HA 1 10 ARG QD . . 2.520 2.918 2.434 3.921 1.401 14 6 "[ **. * 1 +.- *2]" 1
119 1 10 ARG HA 1 11 MET H . . 2.230 2.444 2.357 2.511 0.281 11 0 "[ . 1 . 2]" 1
120 1 10 ARG QB 1 10 ARG QG . . 2.000 2.027 2.012 2.054 0.054 4 0 "[ . 1 . 2]" 1
121 1 10 ARG QB 1 10 ARG QD . . 1.880 2.403 1.935 2.762 0.882 12 13 "[** - * ***+* * ** *]" 1
122 1 10 ARG QB 1 11 MET H . . 2.200 2.346 2.208 2.541 0.341 12 0 "[ . 1 . 2]" 1
123 1 10 ARG QB 1 19 TYR QE . . 2.720 2.894 2.589 3.446 0.726 9 2 "[ . +1 . -]" 1
124 1 10 ARG QD 1 10 ARG QG . . 2.110 2.015 1.985 2.073 . 0 0 "[ . 1 . 2]" 1
125 1 10 ARG QG 1 21 PHE QB . . 2.160 3.575 2.936 4.665 2.505 3 20 [**+********-********] 1
126 1 10 ARG QD 1 11 MET H . . 3.260 3.856 3.426 4.507 1.247 8 13 "[** . *+******* * -]" 1
127 1 10 ARG QD 1 19 TYR QE . . 2.040 4.942 3.603 6.135 4.095 9 20 [*******-+***********] 1
128 1 10 ARG HA 1 10 ARG HE . . 3.490 4.341 3.553 5.285 1.795 3 16 "[- +**** *** * ******]" 1
129 1 10 ARG QB 1 10 ARG HE . . 2.000 2.674 1.989 4.229 2.229 6 5 "[ *-.+ 1 .* *2]" 1
130 1 10 ARG HE 1 10 ARG QG . . 2.570 2.645 2.455 3.272 0.702 8 2 "[ . + 1 -. 2]" 1
131 1 10 ARG QG 1 11 MET H . . 3.320 4.075 3.374 4.447 1.127 12 15 "[** *-*****+* * ** *]" 1
132 1 11 MET H 1 11 MET QB . . 2.340 2.464 2.322 2.928 0.588 2 1 "[ + . 1 . 2]" 1
133 1 11 MET H 1 19 TYR QE . . 3.600 4.556 3.982 5.237 1.637 2 18 "[*+**-********** ** *]" 1
134 1 11 MET H 1 11 MET HA . . 2.900 2.945 2.941 2.948 0.048 12 0 "[ . 1 . 2]" 1
135 1 11 MET HA 1 11 MET QB . . 2.520 2.435 2.150 2.527 0.007 13 0 "[ . 1 . 2]" 1
136 1 11 MET HA 1 18 VAL HA . . 2.170 3.159 2.271 3.689 1.519 9 18 "[****-* *+**********2]" 1
137 1 11 MET HA 1 19 TYR QE . . 2.210 3.834 2.908 5.131 2.921 11 20 [**********+***-*****] 1
138 1 10 ARG HA 1 11 MET QB . . 2.490 4.139 3.865 4.448 1.958 5 20 [***-+***************] 1
139 1 11 MET QB 1 16 GLY H . . 3.040 4.834 3.107 7.639 4.599 9 18 "[****-***+*****.* ***]" 1
140 1 11 MET QB 1 16 GLY QA . . 2.360 2.997 2.381 4.993 2.633 9 7 "[ *.- *+1 * .* *]" 1
141 1 11 MET H 1 11 MET QG . . 2.730 3.446 2.880 4.217 1.487 16 11 "[ -*.* *1*****+ *]" 1
142 1 11 MET QG 1 16 GLY QA . . 1.510 3.269 2.283 4.553 3.043 8 20 [***-***+************] 1
143 1 11 MET QG 1 18 VAL HA . . 2.430 4.154 3.118 5.907 3.477 2 20 [*+*********-********] 1
144 1 11 MET QG 1 18 VAL QG . . 3.070 3.230 2.798 4.637 1.567 2 4 "[ + . * *1 .- 2]" 1
145 1 11 MET QB 1 11 MET ME . . 2.170 3.150 2.455 3.706 1.536 11 19 "[*-***** **+*********]" 1
146 1 11 MET ME 1 16 GLY QA . . 2.050 3.371 2.205 5.021 2.971 2 16 "[*+**.* *******.** *-]" 1
147 1 11 MET QB 1 12 SER H . . 2.970 3.413 2.895 4.038 1.068 2 10 "[ +**.* * 1* *.** -]" 1
148 1 12 SER H 1 12 SER QB . . 2.120 2.783 2.054 3.461 1.341 17 11 "[ ***.* **1*- ** + 2]" 1
149 1 12 SER H 1 17 ARG H . . 2.710 3.775 2.639 6.560 3.850 17 12 "[ ***.****-* ** + 2]" 1
150 1 12 SER H 1 19 TYR QE . . 2.410 3.127 2.394 4.013 1.603 10 12 "[** *** *+ ** .* - *]" 1
151 1 12 SER QB 1 17 ARG H . . 2.230 3.006 2.100 4.400 2.170 17 10 "[ ***.****1 *-+ 2]" 1
152 1 13 ARG HA 1 13 ARG QD . . 1.970 3.919 3.551 4.535 2.565 15 20 [*-************+*****] 1
153 1 13 ARG HA 1 14 ASN H . . 2.960 3.506 2.861 3.562 0.602 9 19 "[****** *+*******-***]" 1
154 1 13 ARG QB 1 13 ARG QD . . 2.120 2.191 1.993 2.423 0.303 19 0 "[ . 1 . 2]" 1
155 1 14 ASN H 1 14 ASN HA . . 2.610 2.933 2.891 2.949 0.339 14 0 "[ . 1 . 2]" 1
156 1 14 ASN H 1 15 SER H . . 2.460 2.347 2.179 2.789 0.329 7 0 "[ . 1 . 2]" 1
157 1 14 ASN HA 1 15 SER H . . 2.860 3.116 2.900 3.472 0.612 8 3 "[* . + 1 - . 2]" 1
158 1 12 SER QB 1 15 SER H . . 2.160 2.709 2.323 4.825 2.665 7 8 "[ * + 1 -* * ***2]" 1
159 1 13 ARG QB 1 15 SER H . . 2.310 3.693 2.505 3.995 1.685 4 19 "[***+** ****-********]" 1
160 1 13 ARG QD 1 15 SER H . . 2.690 4.415 3.748 5.993 3.303 5 20 [****+***-***********] 1
161 1 15 SER H 1 15 SER QB . . 2.610 2.772 2.536 3.018 0.408 10 0 "[ . 1 . 2]" 1
162 1 15 SER H 1 16 GLY H . . 2.320 2.992 2.157 4.552 2.232 8 9 "[*-**.* +*1 * .* 2]" 1
163 1 15 SER HA 1 15 SER QB . . 2.210 2.186 2.159 2.265 0.055 4 0 "[ . 1 . 2]" 1
164 1 15 SER HA 1 16 GLY H . . 2.530 2.954 2.359 3.549 1.019 15 11 "[ * * *** *+ *-**]" 1
165 1 14 ASN H 1 16 GLY H . . 2.820 5.134 3.913 6.823 4.003 1 20 [+**********-********] 1
166 1 16 GLY H 1 16 GLY QA . . 2.070 2.229 2.189 2.379 0.309 1 0 "[ . 1 . 2]" 1
167 1 15 SER HA 1 17 ARG H . . 2.410 4.664 4.040 5.472 3.062 3 20 [**+***********-*****] 1
168 1 15 SER QB 1 17 ARG H . . 2.410 3.755 2.396 5.108 2.698 3 16 "[**+******1* *-.* ***]" 1
169 1 17 ARG H 1 17 ARG QB . . 2.250 2.368 2.078 2.819 0.569 3 1 "[ + . 1 . 2]" 1
170 1 17 ARG H 1 17 ARG QG . . 2.570 3.309 2.584 4.086 1.516 8 11 "[*-**.* + 1 ** .* **2]" 1
171 1 17 ARG HA 1 17 ARG QB . . 2.000 2.478 2.403 2.538 0.538 1 8 "[+ * . * 1 ** .- **2]" 1
172 1 17 ARG HA 1 18 VAL HB . . 3.560 4.530 4.309 4.824 1.264 18 20 [*****************+*-] 1
173 1 17 ARG HA 1 18 VAL QG . . 3.080 3.830 3.402 4.360 1.280 20 15 "[***-.*** ** * *** *+]" 1
174 1 12 SER QB 1 17 ARG QB . . 2.090 3.262 2.022 4.196 2.106 3 14 "[**+*.*-*** * **** 2]" 1
175 1 15 SER QB 1 17 ARG QB . . 2.270 3.553 2.366 4.329 2.059 4 19 "[***+***-*** ********]" 1
176 1 17 ARG QB 1 17 ARG QD . . 2.440 2.494 2.165 2.828 0.388 11 0 "[ . 1 . 2]" 1
177 1 17 ARG QB 1 18 VAL H . . 2.290 3.433 2.598 3.892 1.602 8 18 "[****** +-1**********]" 1
178 1 17 ARG QD 1 17 ARG QG . . 2.110 2.019 1.963 2.090 . 0 0 "[ . 1 . 2]" 1
179 1 17 ARG H 1 17 ARG QD . . 3.490 4.150 3.402 4.997 1.507 3 12 "[**+*.** * *-** *]" 1
180 1 17 ARG H 1 18 VAL H . . 3.020 4.087 2.816 4.602 1.582 12 17 "[*-**** **1*+*** ****]" 1
181 1 17 ARG QG 1 18 VAL H . . 2.590 4.049 2.646 4.688 2.098 2 18 "[*+********* ***** -*]" 1
182 1 18 VAL H 1 18 VAL HB . . 2.160 2.554 2.199 3.678 1.518 7 4 "[ . + * - . * 2]" 1
183 1 18 VAL H 1 18 VAL QG . . 2.250 2.454 2.266 2.822 0.572 20 1 "[ . 1 . +]" 1
184 1 11 MET QB 1 18 VAL HA . . 2.980 4.861 3.653 5.408 2.428 9 20 [******-*+***********] 1
185 1 18 VAL H 1 18 VAL HA . . 2.310 2.808 2.278 2.936 0.626 9 14 "[ -*** +1***** ****]" 1
186 1 18 VAL HA 1 18 VAL QG . . 2.270 2.128 2.091 2.153 . 0 0 "[ . 1 . 2]" 1
187 1 18 VAL HA 1 19 TYR H . . 2.010 2.223 2.147 2.328 0.318 20 0 "[ . 1 . 2]" 1
188 1 18 VAL HB 1 19 TYR H . . 2.700 4.025 3.653 4.318 1.618 6 20 [*****+***********-**] 1
189 1 11 MET QB 1 18 VAL QG . . 2.600 3.989 2.659 4.566 1.966 15 17 "[* **** **-****+****2]" 1
190 1 18 VAL QG 1 19 TYR H . . 1.650 2.221 2.054 2.455 0.805 6 17 "[*****+ ********* *-]" 1
191 1 9 LYS QB 1 18 VAL QG . . 2.790 3.629 2.956 4.456 1.666 12 18 "[ **********+*** *-**]" 1
192 1 11 MET ME 1 18 VAL QG . . 3.430 3.082 2.043 4.297 0.867 2 2 "[ + . - 1 . 2]" 1
193 1 19 TYR H 1 19 TYR HA . . 2.650 2.889 2.842 2.920 0.270 1 0 "[ . 1 . 2]" 1
194 1 19 TYR H 1 19 TYR QB . . 3.110 3.237 3.191 3.306 0.196 10 0 "[ . 1 . 2]" 1
195 1 19 TYR HA 1 19 TYR QB . . 2.180 2.184 2.182 2.185 0.005 9 0 "[ . 1 . 2]" 1
196 1 19 TYR HA 1 20 TYR H . . 2.250 2.552 2.420 2.672 0.422 10 0 "[ . 1 . 2]" 1
197 1 19 TYR QB 1 20 TYR H . . 1.570 2.124 1.930 2.359 0.789 3 11 "[**+*. **-1** .** 2]" 1
198 1 19 TYR QB 1 30 PHE QD . . 2.160 2.780 2.030 3.448 1.288 16 9 "[ *. * *1* *.+ **-]" 1
199 1 9 LYS QB 1 19 TYR QD . . 3.190 6.367 5.819 6.812 3.622 7 20 [*-****+*************] 1
200 1 12 SER QB 1 19 TYR QD . . 2.580 4.832 3.779 5.819 3.239 12 20 [******-****+********] 1
201 1 19 TYR H 1 19 TYR QD . . 2.320 2.911 2.403 3.330 1.010 6 12 "[****.+ * 1* *-* **2]" 1
202 1 19 TYR QD 1 28 SER QB . . 2.440 3.774 2.451 5.531 3.091 2 14 "[*+**.* * 1* *** -***]" 1
203 1 19 TYR QD 1 29 GLN H . . 2.470 3.674 3.030 4.467 1.997 2 20 [*+**-***************] 1
204 1 12 SER QB 1 19 TYR QE . . 2.330 3.919 2.975 5.025 2.695 12 20 [*******-***+********] 1
205 1 19 TYR QE 1 21 PHE QB . . 2.240 2.309 2.133 2.685 0.445 2 0 "[ . 1 . 2]" 1
206 1 19 TYR QE 1 28 SER QB . . 2.900 4.351 2.742 6.306 3.406 2 14 "[*+**.* * 1* ****-**2]" 1
207 1 20 TYR H 1 20 TYR HA . . 2.700 2.945 2.937 2.948 0.248 12 0 "[ . 1 . 2]" 1
208 1 20 TYR H 1 20 TYR QB . . 2.260 2.404 2.323 2.523 0.263 5 0 "[ . 1 . 2]" 1
209 1 20 TYR H 1 29 GLN H . . 2.700 3.020 2.842 3.507 0.807 14 2 "[ . 1 +. -]" 1
210 1 20 TYR HA 1 20 TYR QB . . 2.630 2.445 2.369 2.472 . 0 0 "[ . 1 . 2]" 1
211 1 20 TYR HA 1 21 PHE H . . 1.980 2.145 2.138 2.188 0.208 20 0 "[ . 1 . 2]" 1
212 1 20 TYR QB 1 29 GLN H . . 2.240 3.275 3.016 3.635 1.395 14 20 [******-******+******] 1
213 1 20 TYR QB 1 33 PRO QG . . 2.760 3.216 3.042 3.459 0.699 11 8 "[ ** . 1+ **.** -]" 1
214 1 3 LEU QD 1 20 TYR QD . . 2.400 2.893 2.380 3.102 0.702 13 11 "[*** .** ** +** -2]" 1
215 1 4 PRO QB 1 20 TYR QD . . 2.720 5.838 5.490 6.355 3.635 5 20 [****+*****-*********] 1
216 1 7 TRP HE1 1 20 TYR QD . . 2.760 5.926 5.364 6.616 3.856 5 20 [****+****-**********] 1
217 1 9 LYS QB 1 20 TYR QD . . 2.940 4.827 4.022 5.360 2.420 19 20 [****-*************+*] 1
218 1 20 TYR H 1 20 TYR QD . . 1.900 2.894 2.303 3.453 1.553 13 19 [********-***+******2] 1
219 1 20 TYR HA 1 20 TYR QD . . 1.950 2.987 2.674 3.169 1.219 20 20 [************-******+] 1
220 1 20 TYR QD 1 21 PHE H . . 2.960 4.177 3.796 4.426 1.466 10 20 [*******-*+**********] 1
221 1 20 TYR QD 1 21 PHE QB . . 2.400 5.842 5.672 5.933 3.533 18 20 [*******-*********+**] 1
222 1 20 TYR QD 1 32 ARG HA . . 2.390 3.819 3.186 4.078 1.688 11 20 [**********+**-******] 1
223 1 20 TYR QD 1 33 PRO QD . . 2.250 2.982 2.815 3.131 0.881 17 20 [*****-**********+***] 1
224 1 18 VAL QG 1 20 TYR QE . . 2.390 4.006 3.336 4.647 2.257 7 20 [*****-+*************] 1
225 1 20 TYR QE 1 31 GLU HA . . 3.080 4.597 3.905 6.273 3.193 10 20 [*********+******-***] 1
226 1 20 TYR QE 1 32 ARG H . . 3.250 3.859 3.284 5.544 2.294 10 6 "[ *.* *+ -*. 2]" 1
227 1 20 TYR QE 1 32 ARG HA . . 2.610 2.902 2.614 3.710 1.100 10 3 "[ .* +- . 2]" 1
228 1 20 TYR QE 1 32 ARG QB . . 2.220 3.496 2.804 4.072 1.852 10 20 [*********+***-******] 1
229 1 20 TYR QE 1 32 ARG QG . . 1.030 3.672 3.041 4.127 3.097 11 20 [**********+**-******] 1
230 1 20 TYR QE 1 33 PRO QD . . 2.710 2.827 2.715 3.076 0.366 5 0 "[ . 1 . 2]" 1
231 1 20 TYR QB 1 21 PHE H . . 2.490 3.350 2.987 3.531 1.041 2 19 [*+******-**********2] 1
232 1 21 PHE H 1 21 PHE HA . . 2.650 2.945 2.940 2.948 0.298 1 0 "[ . 1 . 2]" 1
233 1 21 PHE H 1 21 PHE QB . . 2.270 2.503 2.452 2.618 0.348 20 0 "[ . 1 . 2]" 1
234 1 21 PHE H 1 22 ASN H . . 3.130 4.275 4.118 4.420 1.290 16 20 [********-******+****] 1
235 1 7 TRP HZ3 1 21 PHE HA . . 2.180 2.739 2.433 2.923 0.743 16 14 "[***** * ** - .+****]" 1
236 1 21 PHE HA 1 21 PHE QB . . 2.230 2.339 2.263 2.470 0.240 20 0 "[ . 1 . 2]" 1
237 1 21 PHE HA 1 21 PHE QD . . 2.300 2.656 2.373 2.963 0.663 10 5 "[ * *+ * - 2]" 1
238 1 21 PHE HA 1 22 ASN H . . 2.000 2.148 2.139 2.190 0.190 16 0 "[ . 1 . 2]" 1
239 1 21 PHE HA 1 28 SER HA . . 2.190 2.406 2.301 2.787 0.597 20 1 "[ . 1 . +]" 1
240 1 21 PHE HA 1 28 SER QB . . 3.070 3.624 3.121 4.146 1.076 11 11 "[****. * 1+ * *- * *]" 1
241 1 21 PHE HA 1 29 GLN H . . 2.820 3.702 3.399 3.873 1.053 20 20 [*************-*****+] 1
242 1 21 PHE QB 1 22 ASN H . . 3.790 3.787 3.646 3.884 0.094 6 0 "[ . 1 . 2]" 1
243 1 10 ARG QD 1 21 PHE QB . . 2.500 4.923 4.050 5.738 3.238 7 20 [******+-************] 1
244 1 21 PHE H 1 21 PHE QD . . 2.790 4.244 4.002 4.382 1.592 20 20 [*********-*********+] 1
245 1 21 PHE QD 1 28 SER QB . . 2.460 2.681 2.458 3.309 0.849 15 3 "[ . 1 +- * 2]" 1
246 1 21 PHE QE 1 23 HIS HA . . 3.290 3.395 3.199 4.133 0.843 20 1 "[ . 1 . +]" 1
247 1 21 PHE QE 1 23 HIS QB . . 2.950 3.491 2.990 4.964 2.014 20 8 "[*** .* * 1* - . +]" 1
248 1 21 PHE QE 1 26 ASN HA . . 3.570 3.617 3.516 4.027 0.457 20 0 "[ . 1 . 2]" 1
249 1 21 PHE QD 1 22 ASN H . . 2.050 3.504 3.135 3.895 1.845 20 20 [***************-***+] 1
250 1 22 ASN H 1 22 ASN QB . . 1.990 2.379 2.316 2.458 0.468 16 0 "[ . 1 . 2]" 1
251 1 22 ASN H 1 27 ALA H . . 3.140 3.578 2.934 3.891 0.751 14 6 "[ *. 1 +- ** *]" 1
252 1 22 ASN H 1 28 SER HA . . 3.250 3.424 3.310 3.616 0.366 16 0 "[ . 1 . 2]" 1
253 1 22 ASN HA 1 22 ASN QB . . 2.130 2.433 2.422 2.458 0.328 19 0 "[ . 1 . 2]" 1
254 1 22 ASN HA 1 23 HIS H . . 2.000 2.155 2.139 2.181 0.181 17 0 "[ . 1 . 2]" 1
255 1 22 ASN HA 1 24 ILE H . . 3.160 3.587 3.465 3.781 0.621 16 4 "[ . *- .+* 2]" 1
256 1 7 TRP HE3 1 22 ASN QB . . 2.560 3.203 3.109 3.375 0.815 11 20 [**********+*****-***] 1
257 1 7 TRP HE1 1 22 ASN QB . . 3.800 4.244 4.121 4.379 0.579 12 4 "[ . -1 + .* *2]" 1
258 1 7 TRP HZ2 1 22 ASN QB . . 2.830 3.551 3.401 3.737 0.907 16 20 [**************-+****] 1
259 1 7 TRP HH2 1 22 ASN QB . . 2.620 3.373 3.226 3.614 0.994 16 20 [******-********+****] 1
260 1 21 PHE HA 1 22 ASN QB . . 3.140 4.056 4.003 4.095 0.955 9 20 [********+******-****] 1
261 1 22 ASN QB 1 23 HIS H . . 3.390 3.724 3.623 3.836 0.446 20 0 "[ . 1 . 2]" 1
262 1 22 ASN QB 1 25 THR H . . 2.840 2.767 2.620 3.031 0.191 16 0 "[ . 1 . 2]" 1
263 1 22 ASN QB 1 27 ALA H . . 2.070 2.456 2.286 2.659 0.589 14 6 "[ *.- 1 *+.** 2]" 1
264 1 22 ASN QB 1 22 ASN QD . . 2.570 2.119 2.097 2.135 . 0 0 "[ . 1 . 2]" 1
265 1 22 ASN QB 1 25 THR HB . . 3.210 3.935 3.700 4.962 1.752 16 19 "[****-****** ***+****]" 1
266 1 22 ASN QB 1 27 ALA MB . . 1.910 3.108 2.725 3.424 1.514 14 20 [*************+****-*] 1
267 1 22 ASN H 1 22 ASN QD . . 3.370 4.619 4.502 4.740 1.370 16 20 [********-******+****] 1
268 1 22 ASN QD 1 24 ILE HB . . 2.790 3.025 2.953 3.181 0.391 9 0 "[ . 1 . 2]" 1
269 1 22 ASN QD 1 24 ILE MG . . 3.800 3.963 3.769 4.258 0.458 9 0 "[ . 1 . 2]" 1
270 1 6 GLY QA 1 22 ASN QD . . 2.320 3.216 2.895 3.567 1.247 5 20 [****+***-***********] 1
271 1 22 ASN QD 1 24 ILE H . . 3.250 3.876 3.793 3.926 0.676 20 20 [****************-**+] 1
272 1 22 ASN QD 1 24 ILE MD . . 3.510 3.774 3.500 4.045 0.535 12 1 "[ . 1 + . 2]" 1
273 1 22 ASN QD 1 25 THR HB . . 3.370 4.590 4.245 5.434 2.064 19 20 [*****************-+*] 1
274 1 22 ASN QD 1 25 THR MG . . 2.810 3.317 2.870 5.399 2.589 19 8 "[ .* *** -* . * +2]" 1
275 1 6 GLY QA 1 23 HIS H . . 2.700 3.780 3.560 3.914 1.214 8 20 [*******+**********-*] 1
276 1 23 HIS H 1 23 HIS QB . . 2.480 2.543 2.319 2.795 0.315 19 0 "[ . 1 . 2]" 1
277 1 23 HIS H 1 23 HIS HD2 . . 2.930 3.904 2.891 4.925 1.995 1 10 "[+** * * 1* *- * *]" 1
278 1 23 HIS H 1 24 ILE H . . 2.470 2.395 2.288 2.728 0.258 16 0 "[ . 1 . 2]" 1
279 1 23 HIS HA 1 23 HIS QB . . 2.250 2.178 2.171 2.186 . 0 0 "[ . 1 . 2]" 1
280 1 23 HIS HA 1 23 HIS HD2 . . 3.060 4.505 4.258 4.831 1.771 10 20 [******-**+**********] 1
281 1 23 HIS HA 1 24 ILE H . . 2.920 3.379 2.982 3.430 0.510 9 3 "[ . *+1 . - 2]" 1
282 1 23 HIS QB 1 23 HIS HD2 . . 2.730 2.712 2.656 2.784 0.054 16 0 "[ . 1 . 2]" 1
283 1 23 HIS QB 1 24 ILE H . . 3.920 3.696 3.622 4.024 0.104 16 0 "[ . 1 . 2]" 1
284 1 23 HIS QB 1 24 ILE MD . . 2.830 5.523 5.272 5.931 3.101 19 20 [***************-**+*] 1
285 1 6 GLY QA 1 23 HIS HD2 . . 2.960 4.429 2.797 5.341 2.381 2 18 "[*+*******1* ****-***]" 1
286 1 23 HIS HD2 1 24 ILE H . . 4.350 4.492 4.211 4.989 0.639 19 1 "[ . 1 . +2]" 1
287 1 23 HIS HD2 1 24 ILE QG . . 3.640 3.914 2.743 5.294 1.654 19 8 "[ *.* **1 **. - +2]" 1
288 1 23 HIS HD2 1 24 ILE MD . . 3.800 5.185 3.974 6.411 2.611 19 19 "[*************** *-+*]" 1
289 1 24 ILE H 1 24 ILE HA . . 2.680 2.898 2.884 2.943 0.263 16 0 "[ . 1 . 2]" 1
290 1 24 ILE H 1 24 ILE HB . . 2.280 2.437 2.261 2.768 0.488 16 0 "[ . 1 . 2]" 1
291 1 24 ILE H 1 24 ILE MG . . 3.360 3.750 3.620 3.903 0.543 16 1 "[ . 1 .+ 2]" 1
292 1 24 ILE H 1 24 ILE QG . . 2.450 2.540 2.352 2.891 0.441 19 0 "[ . 1 . 2]" 1
293 1 24 ILE H 1 24 ILE MD . . 3.020 3.944 3.856 4.305 1.285 16 20 [*-*************+****] 1
294 1 24 ILE H 1 25 THR H . . 2.140 2.471 2.218 2.592 0.452 8 0 "[ . 1 . 2]" 1
295 1 24 ILE H 1 25 THR HA . . 4.150 5.083 4.698 5.180 1.030 8 20 [*******+*******-****] 1
296 1 24 ILE H 1 25 THR MG . . 3.230 4.765 4.289 5.463 2.233 19 20 [***************-**+*] 1
297 1 24 ILE H 1 26 ASN H . . 3.220 3.306 3.036 3.443 0.223 19 0 "[ . 1 . 2]" 1
298 1 24 ILE HA 1 24 ILE HB . . 2.630 3.015 2.986 3.020 0.390 10 0 "[ . 1 . 2]" 1
299 1 24 ILE HA 1 24 ILE MG . . 2.220 2.458 2.390 2.614 0.394 19 0 "[ . 1 . 2]" 1
300 1 24 ILE HA 1 24 ILE QG . . 1.940 2.299 2.158 2.392 0.452 16 0 "[ . 1 . 2]" 1
301 1 24 ILE HA 1 24 ILE MD . . 2.620 3.719 3.660 3.771 1.151 1 20 [+*****************-*] 1
302 1 24 ILE HA 1 25 THR H . . 3.330 3.553 3.498 3.571 0.241 3 0 "[ . 1 . 2]" 1
303 1 24 ILE HA 1 26 ASN H . . 3.290 4.224 3.955 4.436 1.146 19 20 [***************-**+*] 1
304 1 6 GLY QA 1 24 ILE HB . . 2.820 3.612 3.209 4.163 1.343 16 19 "[****** ****-***+****]" 1
305 1 23 HIS H 1 24 ILE HB . . 3.140 4.543 4.255 4.710 1.570 1 20 [+*****************-*] 1
306 1 24 ILE HB 1 24 ILE QG . . 2.180 2.309 2.272 2.335 0.155 1 0 "[ . 1 . 2]" 1
307 1 24 ILE HB 1 24 ILE MD . . 2.030 2.484 2.429 2.578 0.548 16 4 "[ . -*1 .+* 2]" 1
308 1 24 ILE HB 1 25 THR H . . 2.280 2.443 2.129 2.965 0.685 19 4 "[ - * 1 * . +2]" 1
309 1 24 ILE HB 1 25 THR HA . . 3.790 4.514 4.352 5.076 1.286 19 20 [********-*********+*] 1
310 1 23 HIS H 1 24 ILE MG . . 3.180 5.646 5.481 5.773 2.593 1 20 [+*****************-*] 1
311 1 24 ILE MG 1 25 THR H . . 3.140 3.134 3.015 3.335 0.195 12 0 "[ . 1 . 2]" 1
312 1 24 ILE MG 1 25 THR HA . . 3.040 3.356 3.209 3.611 0.571 16 2 "[ . 1 .+ -2]" 1
313 1 24 ILE MG 1 26 ASN H . . 3.380 4.632 4.521 4.792 1.412 12 20 [-**********+********] 1
314 1 23 HIS H 1 24 ILE QG . . 3.670 3.856 3.209 4.041 0.371 19 0 "[ . 1 . 2]" 1
315 1 24 ILE QG 1 24 ILE MG . . 1.860 2.395 2.330 2.447 0.587 19 15 "[ ******1 *******+-]" 1
316 1 24 ILE QG 1 25 THR HA . . 4.360 5.754 5.733 5.818 1.458 19 20 [-*****************+*] 1
317 1 6 GLY H 1 24 ILE MD . . 2.680 4.538 4.197 4.727 2.047 8 20 [******-+************] 1
318 1 22 ASN QD 1 25 THR H . . 2.950 3.346 3.045 4.276 1.326 19 4 "[ .* 1 *- . +2]" 1
319 1 23 HIS H 1 25 THR H . . 3.380 4.378 4.065 4.716 1.336 16 20 [***********-***+****] 1
320 1 23 HIS HA 1 25 THR H . . 2.710 4.789 4.044 5.135 2.425 16 20 [***************+**-*] 1
321 1 24 ILE QG 1 25 THR H . . 3.820 4.015 3.726 4.353 0.533 19 1 "[ . 1 . +2]" 1
322 1 24 ILE MD 1 25 THR H . . 3.970 4.565 4.339 4.972 1.002 19 12 "[ ***** 1 **** *-+2]" 1
323 1 25 THR H 1 25 THR HA . . 2.650 2.910 2.883 2.943 0.293 5 0 "[ . 1 . 2]" 1
324 1 25 THR H 1 25 THR HB . . 3.320 3.597 3.487 3.702 0.382 16 0 "[ . 1 . 2]" 1
325 1 25 THR H 1 25 THR MG . . 1.910 2.849 2.345 3.783 1.873 19 19 "[*************** **+-]" 1
326 1 25 THR H 1 26 ASN H . . 2.150 2.300 2.000 2.821 0.671 16 1 "[ . 1 .+ 2]" 1
327 1 25 THR H 1 26 ASN HA . . 2.940 4.513 4.030 4.683 1.743 1 20 [+*****************-*] 1
328 1 25 THR HA 1 25 THR HB . . 2.290 2.587 2.416 2.816 0.526 19 1 "[ . 1 . +2]" 1
329 1 25 THR HA 1 25 THR MG . . 2.220 2.287 2.148 2.463 0.243 16 0 "[ . 1 . 2]" 1
330 1 25 THR HB 1 27 ALA H . . 2.990 3.215 3.056 5.461 2.471 16 1 "[ . 1 .+ 2]" 1
331 1 25 THR HB 1 27 ALA MB . . 2.800 2.762 2.678 3.687 0.887 16 1 "[ . 1 .+ 2]" 1
332 1 25 THR MG 1 26 ASN H . . 3.670 4.273 4.187 4.473 0.803 19 20 [***-**************+*] 1
333 1 25 THR MG 1 27 ALA H . . 3.740 4.420 4.253 5.665 1.925 16 20 [***-***********+****] 1
334 1 22 ASN QD 1 25 THR HG1 . . 3.450 2.790 2.446 3.786 0.336 19 0 "[ . 1 . 2]" 1
335 1 25 THR HG1 1 27 ALA H . . 2.650 3.197 2.658 4.843 2.193 16 9 "[ .* *** -*.+* *2]" 1
336 1 25 THR HG1 1 27 ALA MB . . 2.300 2.569 2.328 2.916 0.616 16 1 "[ . 1 .+ 2]" 1
337 1 23 HIS HA 1 26 ASN H . . 2.510 3.625 3.160 4.281 1.771 16 20 [***************+**-*] 1
338 1 24 ILE HB 1 26 ASN H . . 3.670 4.487 4.336 4.815 1.145 19 20 [-*****************+*] 1
339 1 25 THR HA 1 26 ASN H . . 2.620 3.341 2.944 3.405 0.785 6 18 "[-****+********* ** *]" 1
340 1 25 THR HB 1 26 ASN H . . 3.150 4.002 3.867 4.487 1.337 16 20 [*****-*********+****] 1
341 1 26 ASN H 1 27 ALA H . . 2.490 2.688 2.591 3.635 1.145 16 1 "[ . 1 .+ 2]" 1
342 1 26 ASN H 1 27 ALA MB . . 4.100 4.404 4.360 4.641 0.541 16 1 "[ . 1 .+ 2]" 1
343 1 25 THR HA 1 26 ASN QB . . 3.650 3.929 3.887 3.986 0.336 16 0 "[ . 1 . 2]" 1
344 1 26 ASN H 1 26 ASN QB . . 2.570 2.935 2.583 2.980 0.410 13 0 "[ . 1 . 2]" 1
345 1 26 ASN QB 1 26 ASN QD . . 2.390 2.587 2.574 2.622 0.232 16 0 "[ . 1 . 2]" 1
346 1 26 ASN QB 1 27 ALA H . . 3.000 3.667 3.594 3.963 0.963 16 20 [***-***********+****] 1
347 1 22 ASN H 1 26 ASN QD . . 3.650 5.391 4.845 5.597 1.947 6 20 [*****+************-*] 1
348 1 26 ASN HA 1 27 ALA H . . 2.060 3.029 2.325 3.118 1.058 4 19 "[***+*********** **-*]" 1
349 1 27 ALA H 1 27 ALA MB . . 2.130 2.324 2.173 2.749 0.619 16 1 "[ . 1 .+ 2]" 1
350 1 27 ALA H 1 28 SER H . . 3.940 4.533 4.127 4.593 0.653 13 19 "[************+-* ****]" 1
351 1 27 ALA HA 1 28 SER H . . 2.070 2.269 2.145 2.386 0.316 11 0 "[ . 1 . 2]" 1
352 1 22 ASN H 1 27 ALA MB . . 2.240 4.059 3.857 4.366 2.126 14 20 [*-***********+******] 1
353 1 22 ASN QD 1 27 ALA MB . . 2.630 4.242 3.849 4.638 2.008 6 20 [*****+************-*] 1
354 1 26 ASN HA 1 27 ALA MB . . 3.080 4.734 4.266 4.792 1.712 4 20 [***+***********-****] 1
355 1 27 ALA MB 1 28 SER H . . 2.500 2.710 2.411 3.142 0.642 14 5 "[ *. 1 +.* *-2]" 1
356 1 27 ALA MB 1 28 SER HA . . 3.560 4.091 3.969 4.297 0.737 14 7 "[ *.* 1 +** *-2]" 1
357 1 27 ALA MB 1 29 GLN H . . 3.110 5.339 5.141 5.602 2.492 16 20 [********-******+****] 1
358 1 28 SER H 1 28 SER HA . . 2.700 2.938 2.918 2.948 0.248 20 0 "[ . 1 . 2]" 1
359 1 28 SER H 1 28 SER QB . . 2.950 2.814 2.550 3.033 0.083 19 0 "[ . 1 . 2]" 1
360 1 28 SER H 1 29 GLN H . . 4.290 4.472 4.392 4.577 0.287 18 0 "[ . 1 . 2]" 1
361 1 28 SER HA 1 28 SER QB . . 2.420 2.285 2.160 2.525 0.105 13 0 "[ . 1 . 2]" 1
362 1 28 SER HA 1 29 GLN H . . 2.080 2.288 2.203 2.418 0.338 11 0 "[ . 1 . 2]" 1
363 1 21 PHE QB 1 28 SER QB . . 1.390 3.794 3.023 4.659 3.269 11 20 [*********-+*********] 1
364 1 28 SER QB 1 29 GLN H . . 2.640 2.920 2.631 3.309 0.669 8 2 "[ . + 1 - . 2]" 1
365 1 29 GLN H 1 29 GLN QB . . 2.590 3.111 2.768 3.424 0.834 2 12 "[*+* * **** **-. * 2]" 1
366 1 29 GLN H 1 29 GLN QG . . 2.020 3.164 2.148 4.280 2.260 11 12 "[ *** **+ - ** ***]" 1
367 1 29 GLN H 1 29 GLN HA . . 2.630 2.871 2.822 2.906 0.276 14 0 "[ . 1 . 2]" 1
368 1 29 GLN HA 1 29 GLN QB . . 2.310 2.294 2.150 2.523 0.213 15 0 "[ . 1 . 2]" 1
369 1 7 TRP HH2 1 29 GLN QB . . 2.510 3.607 2.627 4.477 1.967 2 14 "[*+* *********-. * 2]" 1
370 1 20 TYR H 1 29 GLN QB . . 3.280 4.196 3.353 4.841 1.561 10 14 "[-** *****+ ***. * *]" 1
371 1 28 SER HA 1 29 GLN QB . . 2.770 4.201 3.793 4.620 1.850 1 20 [+*********-*********] 1
372 1 28 SER QB 1 29 GLN QB . . 1.700 4.756 4.433 5.170 3.470 17 20 [***************-+***] 1
373 1 29 GLN QB 1 29 GLN QE . . 2.460 2.573 1.996 3.171 0.711 6 1 "[ .+ 1 . 2]" 1
374 1 7 TRP HH2 1 29 GLN QG . . 1.380 3.321 2.080 5.180 3.800 6 20 [*****+*****-********] 1
375 1 29 GLN QG 1 31 GLU H . . 2.560 3.761 2.532 5.155 2.595 1 15 "[+**** **** **** *- 2]" 1
376 1 29 GLN QE 1 31 GLU H . . 3.610 4.238 3.608 5.821 2.211 1 9 "[+** .** 1* .* -*2]" 1
377 1 29 GLN QE 1 31 GLU QB . . 1.140 3.805 2.867 5.541 4.401 1 20 [+********-**********] 1
378 1 29 GLN QE 1 31 GLU QG . . 1.800 5.567 4.584 7.144 5.344 1 20 [+********-**********] 1
379 1 29 GLN QE 1 33 PRO HA . . 2.240 3.062 2.295 4.718 2.478 16 11 "[*** . *** *.+* *-]" 1
380 1 29 GLN QE 1 33 PRO QG . . 3.180 3.557 3.204 4.061 0.881 12 7 "[ -* ** + *. *]" 1
381 1 29 GLN QE 1 33 PRO QD . . 1.810 3.159 2.617 3.907 2.097 1 20 [+******-************] 1
382 1 29 GLN QE 1 32 ARG HA . . 1.120 4.790 3.771 6.122 5.002 11 20 [****-*****+*********] 1
383 1 29 GLN QB 1 30 PHE H . . 2.620 2.476 1.773 3.810 1.190 6 3 "[ .+ -1 . *]" 1
384 1 29 GLN QG 1 30 PHE H . . 2.160 3.166 2.075 4.458 2.298 12 14 "[*** ***-** +**. * *]" 1
385 1 30 PHE H 1 30 PHE QB . . 1.910 2.623 2.235 3.193 1.283 3 14 "[**+*. ** 1* ******-2]" 1
386 1 30 PHE H 1 30 PHE QD . . 1.960 3.000 1.962 3.886 1.926 11 16 "[****.-** 1+ ********]" 1
387 1 30 PHE H 1 31 GLU H . . 1.970 2.246 1.866 3.106 1.136 12 6 "[ -* ** + . *]" 1
388 1 30 PHE HA 1 30 PHE QB . . 2.280 2.407 2.173 2.517 0.237 14 0 "[ . 1 . 2]" 1
389 1 30 PHE HA 1 30 PHE QD . . 2.010 3.025 2.799 3.332 1.322 3 20 [**+***************-*] 1
390 1 30 PHE QB 1 31 GLU H . . 2.490 2.920 2.372 3.864 1.374 3 6 "[ *+ . 1-* . * *]" 1
391 1 29 GLN QB 1 31 GLU H . . 2.660 3.266 2.338 4.444 1.784 6 7 "[ *.+ 1 -** **2]" 1
392 1 31 GLU H 1 31 GLU HA . . 2.640 2.849 2.773 2.935 0.295 2 0 "[ . 1 . 2]" 1
393 1 31 GLU H 1 31 GLU QB . . 2.330 2.368 2.136 2.745 0.415 11 0 "[ . 1 . 2]" 1
394 1 31 GLU H 1 31 GLU QG . . 2.700 3.363 2.865 3.832 1.132 11 14 "[ ****** *-+** . * **]" 1
395 1 31 GLU HA 1 31 GLU QB . . 2.720 2.471 2.361 2.518 . 0 0 "[ . 1 . 2]" 1
396 1 31 GLU HA 1 31 GLU QG . . 2.320 2.526 2.261 2.761 0.441 15 0 "[ . 1 . 2]" 1
397 1 31 GLU HA 1 32 ARG H . . 2.010 2.187 2.144 2.342 0.332 6 0 "[ . 1 . 2]" 1
398 1 31 GLU HA 1 32 ARG QB . . 2.930 4.110 4.073 4.136 1.206 4 20 [***+*********-******] 1
399 1 31 GLU QB 1 31 GLU QG . . 2.020 1.998 1.944 2.086 0.066 3 0 "[ . 1 . 2]" 1
400 1 31 GLU QB 1 32 ARG H . . 2.410 3.116 2.576 3.456 1.046 14 18 "[****. ***-***+******]" 1
401 1 31 GLU QG 1 32 ARG H . . 3.250 3.945 3.503 4.333 1.083 1 13 "[+* -. ** 1***** ***2]" 1
402 1 31 GLU H 1 32 ARG H . . 3.260 4.473 4.167 4.640 1.380 6 20 [*****+*************-] 1
403 1 32 ARG H 1 32 ARG HA . . 2.610 2.760 2.680 2.878 0.268 6 0 "[ . 1 . 2]" 1
404 1 32 ARG H 1 32 ARG QB . . 2.200 2.247 2.206 2.275 0.075 6 0 "[ . 1 . 2]" 1
405 1 32 ARG H 1 32 ARG QG . . 3.460 3.964 3.914 3.988 0.528 5 16 "[****+*********. -* 2]" 1
406 1 32 ARG H 1 32 ARG QD . . 3.510 4.393 4.311 4.417 0.907 17 20 [****-***********+***] 1
407 1 32 ARG HA 1 32 ARG QG . . 2.280 2.504 2.419 2.573 0.293 11 0 "[ . 1 . 2]" 1
408 1 32 ARG HA 1 33 PRO QD . . 2.090 1.862 1.851 1.892 . 0 0 "[ . 1 . 2]" 1
409 1 32 ARG QB 1 33 PRO QD . . 2.100 3.557 3.400 3.647 1.547 17 20 [********-*******+***] 1
410 1 32 ARG QD 1 32 ARG QG . . 2.290 2.090 2.089 2.091 . 0 0 "[ . 1 . 2]" 1
411 1 32 ARG QG 1 33 PRO QD . . 2.030 2.690 2.278 2.948 0.918 17 15 "[****. ** 1**- **+***]" 1
412 1 33 PRO HA 1 34 SER H . . 2.100 2.422 2.221 2.457 0.357 13 0 "[ . 1 . 2]" 1
413 1 4 PRO QG 1 33 PRO QB . . 2.200 3.411 3.179 3.725 1.525 11 20 [********-*+*********] 1
414 1 7 TRP HE1 1 33 PRO QB . . 2.730 3.883 3.303 4.512 1.782 11 20 [*******-**+*********] 1
415 1 33 PRO QB 1 34 SER H . . 2.590 3.739 2.538 3.933 1.343 13 17 "[* *** *- ***+*******]" 1
416 1 33 PRO QB 1 34 SER HA . . 3.670 4.397 3.934 4.644 0.974 8 17 "[* *** *+ -**********]" 1
417 1 33 PRO QB 1 35 GLY H . . 3.460 3.835 3.347 5.834 2.374 6 3 "[ * .+ - 1 . 2]" 1
418 1 7 TRP HZ2 1 33 PRO QB . . 2.590 3.922 3.532 4.265 1.675 11 20 [*******-**+*********] 1
419 1 29 GLN QE 1 33 PRO QB . . 1.070 2.405 1.923 2.926 1.856 14 20 [-************+******] 1
420 1 7 TRP QB 1 33 PRO QG . . 2.930 3.815 3.442 4.139 1.209 11 20 [**********+**-******] 1
421 1 33 PRO QG 1 34 SER H . . 3.720 4.587 4.165 4.701 0.981 8 18 "[* *** *+-***********]" 1
422 1 34 SER H 1 34 SER HA . . 2.760 2.920 2.865 2.933 0.173 10 0 "[ . 1 . 2]" 1
423 1 33 PRO HA 1 34 SER HA . . 3.050 4.499 4.457 4.530 1.480 8 20 [*******+-***********] 1
424 1 34 SER HA 1 35 GLY H . . 2.560 2.749 2.565 3.574 1.014 8 1 "[ . + 1 . 2]" 1
425 1 34 SER HA 1 34 SER QB . . 2.160 2.250 2.179 2.463 0.303 18 0 "[ . 1 . 2]" 1
426 1 34 SER H 1 34 SER QB . . 2.430 2.654 2.355 2.933 0.503 1 1 "[+ . 1 . 2]" 1
427 1 34 SER H 1 35 GLY H . . 2.690 3.251 2.716 4.391 1.701 6 7 "[ * .+ 1* .* -**]" 1
428 1 2 LYS QB 1 3 LEU H . . 2.980 3.413 3.280 3.657 0.677 20 6 "[ * . 1-* * * +]" 1
429 1 3 LEU HA 1 4 PRO QG . . 3.850 3.999 3.943 4.043 0.193 16 0 "[ . 1 . 2]" 1
430 1 4 PRO QD 1 33 PRO QB . . 2.490 4.758 4.513 4.985 2.495 11 20 [*****-****+*********] 1
431 1 9 LYS HA 1 10 ARG QB . . 3.190 4.372 4.042 4.632 1.442 7 20 [******+********-****] 1
432 1 17 ARG HA 1 17 ARG QD . . 3.300 2.554 1.990 3.965 0.665 3 2 "[- + . 1 . 2]" 1
433 1 12 SER H 1 18 VAL HA . . 2.680 4.545 3.217 5.929 3.249 6 20 [*****+*************-] 1
434 1 19 TYR QD 1 20 TYR H . . 2.310 3.106 2.821 3.405 1.095 16 20 [*****-*********+****] 1
435 1 20 TYR QB 1 30 PHE H . . 2.430 4.305 3.719 5.526 3.096 20 20 [******************-+] 1
436 1 9 LYS QD 1 20 TYR QE . . 2.650 5.594 3.838 7.096 4.446 16 20 [***********-***+****] 1
437 1 9 LYS HA 1 21 PHE QB . . 3.350 4.758 4.480 5.032 1.682 13 20 [************+**-****] 1
438 1 21 PHE QE 1 26 ASN QB . . 3.360 4.812 4.416 5.281 1.921 20 20 [******************-+] 1
439 1 22 ASN QB 1 26 ASN H . . 2.930 2.974 2.852 3.775 0.845 16 2 "[ . 1 .+ -2]" 1
440 1 20 TYR QB 1 33 PRO QD . . 2.420 3.142 2.839 3.324 0.904 17 19 "[***** **-*******+***]" 1
441 1 34 SER QB 1 35 GLY H . . 3.160 3.866 2.994 4.066 0.906 12 17 "[* *** - ***+********]" 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 18
_Distance_constraint_stats_list.Viol_count 119
_Distance_constraint_stats_list.Viol_total 389.877
_Distance_constraint_stats_list.Viol_max 1.095
_Distance_constraint_stats_list.Viol_rms 0.1243
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0541
_Distance_constraint_stats_list.Viol_average_violations_only 0.1638
_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 2 LYS 8.405 1.011 20 1 "[ . 1 . +]"
1 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 3.522 0.233 13 0 "[ . 1 . 2]"
1 5 PRO 3.522 0.233 13 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.071 0.011 8 0 "[ . 1 . 2]"
1 13 ARG 0.616 0.227 7 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 2.179 1.095 7 2 "[ . + - . 2]"
1 18 VAL 2.179 1.095 7 2 "[ . + - . 2]"
1 29 GLN 4.700 0.186 13 0 "[ . 1 . 2]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS H 1 2 LYS HA . . 2.470 2.734 2.273 2.771 0.301 18 0 "[ . 1 . 2]" 2
2 1 2 LYS HA 1 3 LEU H . . 2.710 2.152 2.141 2.208 . 0 0 "[ . 1 . 2]" 2
3 1 4 PRO HA 1 5 PRO HD3 . . 2.920 2.277 2.269 2.291 . 0 0 "[ . 1 . 2]" 2
4 1 4 PRO QB 1 5 PRO HD3 . . 3.390 3.566 3.495 3.623 0.233 13 0 "[ . 1 . 2]" 2
5 1 10 ARG QD 1 10 ARG QH2 . . 3.650 3.628 3.610 3.661 0.011 8 0 "[ . 1 . 2]" 2
6 1 17 ARG HA 1 18 VAL H . . 2.450 2.311 2.140 3.545 1.095 7 2 "[ . + - . 2]" 2
7 1 9 LYS HA 1 10 ARG H . . 2.410 2.184 2.142 2.241 . 0 0 "[ . 1 . 2]" 2
8 1 2 LYS H 1 2 LYS QB . . 2.400 2.546 2.458 3.411 1.011 20 1 "[ . 1 . +]" 2
9 1 9 LYS HA 1 9 LYS QG . . 3.290 2.414 2.182 2.547 . 0 0 "[ . 1 . 2]" 2
10 1 9 LYS QB 1 9 LYS QG . . 2.320 2.045 2.020 2.087 . 0 0 "[ . 1 . 2]" 2
11 1 13 ARG HA 1 13 ARG QB . . 2.290 2.298 2.153 2.517 0.227 7 0 "[ . 1 . 2]" 2
12 1 13 ARG QB 1 14 ASN H . . 3.390 1.869 1.785 2.048 . 0 0 "[ . 1 . 2]" 2
13 1 17 ARG HA 1 17 ARG QG . . 3.000 2.427 2.139 2.789 . 0 0 "[ . 1 . 2]" 2
14 1 17 ARG QB 1 17 ARG QG . . 2.220 2.022 2.002 2.076 . 0 0 "[ . 1 . 2]" 2
15 1 29 GLN HA 1 29 GLN QG . . 3.190 2.837 2.032 3.358 0.168 14 0 "[ . 1 . 2]" 2
16 1 29 GLN QB 1 29 GLN QG . . 1.900 2.054 2.025 2.086 0.186 13 0 "[ . 1 . 2]" 2
17 1 29 GLN QE 1 29 GLN QG . . 2.480 2.281 2.067 2.596 0.116 12 0 "[ . 1 . 2]" 2
18 1 32 ARG QB 1 32 ARG QD . . 3.000 2.116 2.098 2.126 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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