NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486300 |
2rnn   |
11029 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rnn
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 415
_Distance_constraint_stats_list.Viol_count 1600
_Distance_constraint_stats_list.Viol_total 55550.230
_Distance_constraint_stats_list.Viol_max 8.286
_Distance_constraint_stats_list.Viol_rms 1.0900
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3346
_Distance_constraint_stats_list.Viol_average_violations_only 1.7359
_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 5 ILE 7.089 0.684 18 2 "[ . 1 . -+ 2]"
1 6 ASN 188.217 4.446 19 20 [****************-*+*]
1 7 LEU 19.553 1.203 4 5 "[ - +. * 1 * *]"
1 8 GLU 54.434 2.582 2 20 [*+************-*****]
1 9 ASP 140.967 4.446 19 20 [***-**************+*]
1 10 TYR 3.840 0.421 18 0 "[ . 1 . 2]"
1 11 TRP 8.067 0.677 19 5 "[* * . 1 - . +*]"
1 12 GLU 32.607 2.478 6 18 "[*****+**-1****** ***]"
1 13 ASP 38.912 1.285 7 20 [*****-+*************]
1 14 GLU 48.970 2.478 6 19 [*****+***1**********]
1 15 THR 25.423 1.285 7 18 "[*****-+*******.* ***]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ARG 0.114 0.114 14 0 "[ . 1 . 2]"
1 21 GLU 9.266 1.453 19 6 "[* *. 1*- . * +2]"
1 22 PRO 62.851 3.209 14 20 [***********-*+******]
1 23 THR 100.996 3.019 9 20 [********+**-********]
1 24 ASN 7.668 0.494 19 0 "[ . 1 . 2]"
1 25 GLU 60.953 2.419 3 20 [**+********-********]
1 26 LEU 56.353 3.019 9 20 [********+*****-*****]
1 27 ARG 23.460 1.229 4 20 [***+*****-**********]
1 28 ASN 32.632 1.229 4 20 [***+*****-**********]
1 29 GLU 0.529 0.529 10 1 "[ . + . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.091 0.054 8 0 "[ . 1 . 2]"
1 32 GLU 4.576 0.403 5 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 70.657 4.282 6 20 [*****+*********-****]
1 35 THR 10.160 0.403 5 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 MET 126.784 6.778 16 20 [***************+-***]
1 38 GLU 14.934 1.160 6 11 "[** .+ * 1 ****-* *]"
1 39 LEU 159.437 8.286 16 20 [***-***********+****]
1 40 LEU 646.140 7.809 15 20 [*************-+*****]
1 41 LYS 295.004 4.613 15 20 [************-*+*****]
1 42 VAL 9.655 0.588 20 4 "[ . * 1* .- +]"
1 43 SER 88.617 2.223 8 20 [*******+*******-****]
1 44 GLU 533.349 8.286 16 20 [**********-****+****]
1 45 LEU 107.161 5.177 15 20 [*************-+*****]
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 CYS 126.364 5.278 10 20 [*******-*+**********]
1 50 ARG 1.114 0.294 10 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PHE 127.479 5.278 10 20 [*******-*+**********]
1 55 PRO 30.126 2.190 8 20 [*******+***********-]
1 57 SER 30.126 2.190 8 20 [*******+***********-]
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ARG 180.628 4.070 8 20 [**-****+************]
1 60 LYS 12.868 0.879 8 18 "[*******+*-** ** ****]"
1 61 ALA 58.163 3.246 20 20 [*****-*************+]
1 62 VAL 76.577 4.070 8 20 [*******+*****-******]
1 63 LEU 46.335 2.649 8 20 [**-****+************]
1 64 GLN 156.712 7.809 15 20 [*********-****+*****]
1 65 ASP 1.679 0.137 20 0 "[ . 1 . 2]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 130.311 6.293 15 20 [**************+*****]
1 68 ARG 185.458 7.002 15 20 [********-*****+*****]
1 69 ASN 24.860 0.991 11 20 [**********+******-**]
1 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLN 6.968 0.644 18 1 "[ . 1 . + 2]"
1 73 ASN 42.585 2.450 14 20 [*************+****-*]
1 74 ALA 171.556 5.847 7 20 [******+*********-***]
1 75 LEU 0.015 0.012 4 0 "[ . 1 . 2]"
1 76 VAL 130.150 5.452 8 20 [*******+**********-*]
1 77 VAL 88.957 3.209 14 20 [********-****+******]
1 78 GLY 12.967 0.647 3 4 "[ + .- 1 . **]"
1 79 LYS 60.270 2.165 3 20 [**+**-**************]
1 80 SER 201.389 5.847 7 20 [******+-************]
1 81 ASP 107.343 5.162 19 20 [*-****************+*]
1 83 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 29.531 1.969 7 20 [*-****+*************]
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PHE 0.026 0.026 20 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 143.066 6.778 16 20 [**********-****+****]
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ARG 0.127 0.068 8 0 "[ . 1 . 2]"
1 95 ILE 21.866 1.235 8 20 [*******+**-*********]
1 96 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 22.885 1.046 19 20 [*******-**********+*]
1 98 ASN 27.169 1.046 19 20 [*******-**********+*]
1 99 GLU 7.352 0.408 19 0 "[ . 1 . 2]"
1 100 PRO 0.001 0.001 1 0 "[ . 1 . 2]"
1 101 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 PRO 18.846 1.335 20 20 [*************-*****+]
1 103 VAL 69.715 3.565 5 20 [****+**************-]
1 104 TYR 21.822 1.335 20 20 [*************-*****+]
1 105 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ASP 69.715 3.565 5 20 [****+**************-]
1 107 LEU 7.223 0.369 12 0 "[ . 1 . 2]"
1 108 TRP 4.912 0.369 12 0 "[ . 1 . 2]"
1 109 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ALA 15.973 0.851 6 20 [*****+*-************]
1 111 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ARG 43.638 0.851 6 20 [****-+**************]
1 113 LYS 11.457 0.703 1 15 "[+* -** *** * ******]"
1 114 GLY 17.473 0.845 1 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 34 ILE MG 1 68 ARG HA . . 5.630 8.412 7.079 9.912 4.282 6 20 [*****+**-***********] 1
2 1 34 ILE MG 1 35 THR MG . . 6.660 5.577 4.287 6.266 . 0 0 "[ . 1 . 2]" 1
3 1 37 MET HA 1 40 LEU QD . . 5.010 3.865 2.870 4.212 . 0 0 "[ . 1 . 2]" 1
4 1 22 PRO QG 1 77 VAL QG . . 6.280 9.009 8.258 9.489 3.209 14 20 [*******-*****+******] 1
5 1 35 THR MG 1 38 GLU QB . . 5.450 4.705 3.451 5.026 . 0 0 "[ . 1 . 2]" 1
6 1 113 LYS HA 1 113 LYS QG . . 3.990 2.059 2.003 2.224 . 0 0 "[ . 1 . 2]" 1
7 1 94 ARG HA 1 97 LYS QG . . 5.630 2.975 1.914 4.120 . 0 0 "[ . 1 . 2]" 1
8 1 40 LEU QD 1 45 LEU QB . . 6.380 7.041 6.580 7.547 1.167 15 14 "[*** *** ** *-+*** 2]" 1
9 1 40 LEU QD 1 45 LEU HA . . 4.950 9.632 8.945 10.127 5.177 15 20 [*******-******+*****] 1
10 1 69 ASN HA 1 72 GLN QB . . 4.170 3.249 3.050 3.592 . 0 0 "[ . 1 . 2]" 1
11 1 99 GLU HA 1 100 PRO QG . . 5.290 4.977 4.680 5.291 0.001 1 0 "[ . 1 . 2]" 1
12 1 97 LYS HA 1 97 LYS QD . . 4.720 3.926 2.019 4.535 . 0 0 "[ . 1 . 2]" 1
13 1 35 THR HA 1 38 GLU QB . . 4.480 3.314 2.138 3.621 . 0 0 "[ . 1 . 2]" 1
14 1 32 GLU QB 1 35 THR HB . . 4.510 4.734 4.419 4.913 0.403 5 0 "[ . 1 . 2]" 1
15 1 13 ASP HA 1 14 GLU QB . . 4.540 4.139 3.943 4.967 0.427 17 0 "[ . 1 . 2]" 1
16 1 102 PRO QB 1 104 TYR HA . . 4.790 5.732 5.499 6.125 1.335 20 20 [*************-*****+] 1
17 1 94 ARG HA 1 97 LYS HB2 . . 4.810 3.447 2.117 4.878 0.068 8 0 "[ . 1 . 2]" 1
18 1 32 GLU HA 1 32 GLU QG . . 3.640 2.448 2.277 3.334 . 0 0 "[ . 1 . 2]" 1
19 1 31 GLU HA 1 34 ILE HB . . 4.250 3.526 2.484 4.304 0.054 8 0 "[ . 1 . 2]" 1
20 1 28 ASN QB 1 32 GLU QB . . 5.390 4.607 4.430 4.998 . 0 0 "[ . 1 . 2]" 1
21 1 25 GLU HA 1 28 ASN QB . . 4.790 4.243 2.416 4.535 . 0 0 "[ . 1 . 2]" 1
22 1 34 ILE MG 1 38 GLU QG . . 6.600 3.960 2.700 5.318 . 0 0 "[ . 1 . 2]" 1
23 1 106 ASP HA 1 109 ASN QB . . 4.450 2.711 2.627 2.885 . 0 0 "[ . 1 . 2]" 1
24 1 7 LEU HA 1 10 TYR QB . . 5.530 4.621 4.364 5.755 0.225 18 0 "[ . 1 . 2]" 1
25 1 62 VAL HA 1 65 ASP QB . . 4.190 3.765 3.637 3.923 . 0 0 "[ . 1 . 2]" 1
26 1 66 LEU QB 1 67 ILE MD . . 5.480 4.829 4.795 4.867 . 0 0 "[ . 1 . 2]" 1
27 1 37 MET HA 1 40 LEU QB . . 5.640 4.009 3.652 4.134 . 0 0 "[ . 1 . 2]" 1
28 1 63 LEU HA 1 66 LEU QB . . 4.490 2.477 2.402 2.568 . 0 0 "[ . 1 . 2]" 1
29 1 100 PRO QB 1 101 LEU HA . . 4.900 4.492 4.462 4.880 . 0 0 "[ . 1 . 2]" 1
30 1 75 LEU HA 1 76 VAL HA . . 4.600 4.544 4.513 4.612 0.012 4 0 "[ . 1 . 2]" 1
31 1 98 ASN HA 1 99 GLU HA . . 4.820 5.188 5.136 5.228 0.408 19 0 "[ . 1 . 2]" 1
32 1 21 GLU HA 1 22 PRO QG . . 5.070 5.442 4.831 6.523 1.453 19 6 "[* *. 1*- . * +2]" 1
33 1 72 GLN QB 1 73 ASN HA . . 4.320 3.788 3.677 4.208 . 0 0 "[ . 1 . 2]" 1
34 1 8 GLU QB 1 9 ASP HA . . 5.260 4.307 3.976 4.510 . 0 0 "[ . 1 . 2]" 1
35 1 61 ALA HA 1 64 GLN QB . . 4.790 2.822 2.682 2.976 . 0 0 "[ . 1 . 2]" 1
36 1 24 ASN HA 1 27 ARG QB . . 5.050 4.164 4.040 4.827 . 0 0 "[ . 1 . 2]" 1
37 1 113 LYS HA 1 113 LYS QD . . 4.870 3.506 2.999 4.047 . 0 0 "[ . 1 . 2]" 1
38 1 26 LEU HA 1 29 GLU QB . . 4.380 2.276 2.099 4.335 . 0 0 "[ . 1 . 2]" 1
39 1 40 LEU QD 1 44 GLU HA . . 5.480 10.870 10.125 11.566 6.086 13 20 [*******-****+*******] 1
40 1 47 ASP HA 1 50 ARG QB . . 4.940 2.713 2.396 2.808 . 0 0 "[ . 1 . 2]" 1
41 1 44 GLU QB 1 45 LEU HA . . 5.670 3.845 3.718 4.634 . 0 0 "[ . 1 . 2]" 1
42 1 66 LEU HA 1 69 ASN QB . . 5.520 2.799 2.603 3.744 . 0 0 "[ . 1 . 2]" 1
43 1 64 GLN HA 1 67 ILE MD . . 5.990 3.034 2.887 3.206 . 0 0 "[ . 1 . 2]" 1
44 1 34 ILE MG 1 38 GLU HA . . 5.670 5.901 4.836 6.830 1.160 6 11 "[** .+ * 1 ***-** *]" 1
45 1 32 GLU HA 1 35 THR MG . . 4.980 4.156 3.801 4.356 . 0 0 "[ . 1 . 2]" 1
46 1 32 GLU HA 1 35 THR HB . . 3.750 2.906 2.677 3.095 . 0 0 "[ . 1 . 2]" 1
47 1 74 ALA HA 1 80 SER HA . . 4.530 9.217 8.605 10.377 5.847 7 20 [*-****+*************] 1
48 1 31 GLU HA 1 34 ILE MG . . 5.400 3.580 1.879 4.256 . 0 0 "[ . 1 . 2]" 1
49 1 70 PHE HA 1 73 ASN QB . . 5.520 2.369 2.114 2.614 . 0 0 "[ . 1 . 2]" 1
50 1 40 LEU QD 1 68 ARG HA . . 5.650 11.964 11.540 12.652 7.002 15 20 [**********-***+*****] 1
51 1 60 LYS HA 1 64 GLN QB . . 4.630 5.251 4.977 5.509 0.879 8 18 "[*******+*-** ** ****]" 1
52 1 48 ILE HA 1 51 SER QB . . 5.270 2.848 2.586 4.176 . 0 0 "[ . 1 . 2]" 1
53 1 73 ASN HA 1 76 VAL HA . . 4.720 6.849 6.269 7.170 2.450 14 20 [*************+****-*] 1
54 1 11 TRP HA 1 11 TRP HD1 . . 4.010 2.456 1.960 3.965 . 0 0 "[ . 1 . 2]" 1
55 1 57 SER HA 1 58 GLY H . . 3.350 3.031 2.982 3.323 . 0 0 "[ . 1 . 2]" 1
56 1 58 GLY H 1 59 ARG H . . 3.970 2.497 2.348 2.683 . 0 0 "[ . 1 . 2]" 1
57 1 57 SER H 1 58 GLY H . . 3.690 2.686 1.899 2.779 . 0 0 "[ . 1 . 2]" 1
58 1 52 VAL H 1 53 SER H . . 3.870 2.795 2.672 2.885 . 0 0 "[ . 1 . 2]" 1
59 1 50 ARG HA 1 53 SER H . . 4.340 3.900 3.754 4.023 . 0 0 "[ . 1 . 2]" 1
60 1 53 SER H 1 54 PHE H . . 3.740 2.459 2.191 2.553 . 0 0 "[ . 1 . 2]" 1
61 1 75 LEU H 1 76 VAL H . . 4.180 2.687 2.636 2.718 . 0 0 "[ . 1 . 2]" 1
62 1 112 ARG QB 1 114 GLY H . . 4.280 5.090 4.988 5.125 0.845 1 20 [+************-******] 1
63 1 113 LYS QG 1 114 GLY H . . 5.280 4.306 4.283 4.339 . 0 0 "[ . 1 . 2]" 1
64 1 113 LYS H 1 114 GLY H . . 3.600 2.730 2.655 2.812 . 0 0 "[ . 1 . 2]" 1
65 1 112 ARG HA 1 114 GLY H . . 4.930 4.729 4.580 4.754 . 0 0 "[ . 1 . 2]" 1
66 1 111 LEU HA 1 114 GLY H . . 4.350 3.874 3.757 3.952 . 0 0 "[ . 1 . 2]" 1
67 1 113 LYS QB 1 114 GLY H . . 4.060 2.463 2.418 2.510 . 0 0 "[ . 1 . 2]" 1
68 1 109 ASN H 1 109 ASN QB . . 3.560 2.244 2.221 2.255 . 0 0 "[ . 1 . 2]" 1
69 1 108 TRP HB2 1 109 ASN H . . 4.230 3.754 3.609 3.857 . 0 0 "[ . 1 . 2]" 1
70 1 108 TRP H 1 109 ASN H . . 4.390 2.812 2.744 2.871 . 0 0 "[ . 1 . 2]" 1
71 1 109 ASN H 1 110 ALA H . . 4.040 2.854 2.782 2.927 . 0 0 "[ . 1 . 2]" 1
72 1 106 ASP HA 1 109 ASN H . . 4.510 3.829 3.735 3.935 . 0 0 "[ . 1 . 2]" 1
73 1 51 SER QB 1 52 VAL H . . 4.830 2.715 2.478 3.495 . 0 0 "[ . 1 . 2]" 1
74 1 63 LEU H 1 64 GLN H . . 4.480 2.698 2.610 2.763 . 0 0 "[ . 1 . 2]" 1
75 1 64 GLN H 1 65 ASP H . . 4.160 2.803 2.730 2.873 . 0 0 "[ . 1 . 2]" 1
76 1 62 VAL H 1 64 GLN H . . 4.900 4.290 4.093 4.491 . 0 0 "[ . 1 . 2]" 1
77 1 40 LEU QB 1 64 GLN H . . 5.390 12.511 12.003 13.199 7.809 15 20 [*******-******+*****] 1
78 1 41 LYS HA 1 43 SER H . . 4.390 6.462 6.346 6.576 2.186 15 20 [**************+****-] 1
79 1 42 VAL H 1 43 SER H . . 4.020 4.487 4.414 4.608 0.588 20 4 "[ . * 1* .- +]" 1
80 1 41 LYS QB 1 43 SER H . . 3.880 5.772 5.489 6.103 2.223 8 20 [*******+****-*******] 1
81 1 48 ILE HA 1 51 SER H . . 4.880 3.728 3.628 3.982 . 0 0 "[ . 1 . 2]" 1
82 1 43 SER H 1 44 GLU H . . 4.040 2.787 2.657 2.839 . 0 0 "[ . 1 . 2]" 1
83 1 47 ASP HA 1 51 SER H . . 4.820 4.054 3.799 4.182 . 0 0 "[ . 1 . 2]" 1
84 1 50 ARG H 1 51 SER H . . 4.000 2.763 2.711 2.872 . 0 0 "[ . 1 . 2]" 1
85 1 50 ARG QB 1 51 SER H . . 5.110 2.809 2.680 2.906 . 0 0 "[ . 1 . 2]" 1
86 1 77 VAL QG 1 78 GLY H . . 5.080 2.286 2.086 2.525 . 0 0 "[ . 1 . 2]" 1
87 1 77 VAL H 1 78 GLY H . . 4.710 4.502 4.407 4.581 . 0 0 "[ . 1 . 2]" 1
88 1 68 ARG H 1 69 ASN H . . 4.240 2.728 2.653 2.774 . 0 0 "[ . 1 . 2]" 1
89 1 77 VAL HB 1 78 GLY H . . 4.750 4.136 4.000 4.313 . 0 0 "[ . 1 . 2]" 1
90 1 67 ILE MD 1 69 ASN H . . 5.790 6.603 6.447 6.781 0.991 11 20 [**********+***-*****] 1
91 1 69 ASN H 1 69 ASN QB . . 3.810 2.220 2.171 2.394 . 0 0 "[ . 1 . 2]" 1
92 1 69 ASN H 1 72 GLN QB . . 4.790 5.133 4.985 5.434 0.644 18 1 "[ . 1 . + 2]" 1
93 1 69 ASN H 1 70 PHE H . . 4.270 2.837 2.734 2.897 . 0 0 "[ . 1 . 2]" 1
94 1 67 ILE HA 1 69 ASN H . . 4.710 4.779 4.542 4.892 0.182 18 0 "[ . 1 . 2]" 1
95 1 59 ARG H 1 63 LEU H . . 4.630 6.947 6.741 7.279 2.649 8 20 [**-****+************] 1
96 1 59 ARG H 1 61 ALA H . . 4.240 7.126 6.372 7.486 3.246 20 20 [*****-*************+] 1
97 1 32 GLU HA 1 35 THR H . . 3.990 3.704 3.582 3.865 . 0 0 "[ . 1 . 2]" 1
98 1 34 ILE MG 1 35 THR H . . 4.640 3.626 2.110 4.059 . 0 0 "[ . 1 . 2]" 1
99 1 35 THR H 1 35 THR HB . . 3.650 2.397 2.300 2.458 . 0 0 "[ . 1 . 2]" 1
100 1 34 ILE HB 1 35 THR H . . 4.000 3.092 2.415 3.900 . 0 0 "[ . 1 . 2]" 1
101 1 97 LYS H 1 98 ASN HA . . 4.130 5.121 5.092 5.176 1.046 19 20 [*******-**********+*] 1
102 1 97 LYS H 1 97 LYS QD . . 4.570 4.480 3.934 4.916 0.346 14 0 "[ . 1 . 2]" 1
103 1 96 ARG H 1 97 LYS H . . 3.780 2.596 2.448 2.808 . 0 0 "[ . 1 . 2]" 1
104 1 60 LYS QD 1 61 ALA H . . 4.700 3.950 1.908 4.919 0.219 18 0 "[ . 1 . 2]" 1
105 1 97 LYS QG 1 98 ASN H . . 5.280 3.729 2.555 4.693 . 0 0 "[ . 1 . 2]" 1
106 1 60 LYS QB 1 61 ALA H . . 4.680 2.585 2.030 3.526 . 0 0 "[ . 1 . 2]" 1
107 1 105 LYS HB2 1 106 ASP H . . 4.640 3.895 3.715 3.955 . 0 0 "[ . 1 . 2]" 1
108 1 106 ASP H 1 107 LEU H . . 4.170 2.676 2.645 2.795 . 0 0 "[ . 1 . 2]" 1
109 1 98 ASN H 1 99 GLU H . . 3.520 2.051 1.973 2.177 . 0 0 "[ . 1 . 2]" 1
110 1 95 ILE HA 1 98 ASN H . . 4.390 3.540 3.353 3.680 . 0 0 "[ . 1 . 2]" 1
111 1 97 LYS H 1 98 ASN H . . 3.600 2.481 2.450 2.572 . 0 0 "[ . 1 . 2]" 1
112 1 98 ASN H 1 98 ASN HB3 . . 3.860 3.366 2.649 3.745 . 0 0 "[ . 1 . 2]" 1
113 1 98 ASN H 1 98 ASN HB2 . . 3.970 2.506 2.302 2.739 . 0 0 "[ . 1 . 2]" 1
114 1 105 LYS HB3 1 106 ASP H . . 4.760 2.569 2.491 2.628 . 0 0 "[ . 1 . 2]" 1
115 1 78 GLY H 1 80 SER H . . 4.830 4.968 4.404 5.191 0.361 13 0 "[ . 1 . 2]" 1
116 1 83 TYR HA 1 86 GLN H . . 4.560 3.198 3.068 3.372 . 0 0 "[ . 1 . 2]" 1
117 1 105 LYS H 1 105 LYS HB3 . . 3.800 2.457 2.388 2.693 . 0 0 "[ . 1 . 2]" 1
118 1 79 LYS H 1 80 SER H . . 3.470 2.484 2.123 2.794 . 0 0 "[ . 1 . 2]" 1
119 1 80 SER H 1 81 ASP H . . 4.750 2.084 1.897 2.453 . 0 0 "[ . 1 . 2]" 1
120 1 109 ASN HA 1 112 ARG H . . 4.480 3.667 3.569 3.839 . 0 0 "[ . 1 . 2]" 1
121 1 112 ARG H 1 114 GLY H . . 4.470 4.516 4.432 4.552 0.082 8 0 "[ . 1 . 2]" 1
122 1 105 LYS H 1 105 LYS HB2 . . 3.860 2.608 2.374 2.685 . 0 0 "[ . 1 . 2]" 1
123 1 111 LEU QB 1 112 ARG H . . 4.280 2.776 2.405 3.293 . 0 0 "[ . 1 . 2]" 1
124 1 112 ARG H 1 113 LYS QG . . 4.680 5.238 4.876 5.383 0.703 1 15 "[+* -** *** * ******]" 1
125 1 112 ARG H 1 113 LYS H . . 4.130 2.518 2.494 2.546 . 0 0 "[ . 1 . 2]" 1
126 1 61 ALA H 1 62 VAL H . . 4.130 2.798 2.613 2.970 . 0 0 "[ . 1 . 2]" 1
127 1 72 GLN H 1 72 GLN QB . . 3.840 2.057 2.027 2.233 . 0 0 "[ . 1 . 2]" 1
128 1 59 ARG H 1 62 VAL H . . 4.570 8.399 8.294 8.640 4.070 8 20 [*******+*****-******] 1
129 1 71 LEU QB 1 72 GLN H . . 4.780 2.535 2.439 2.618 . 0 0 "[ . 1 . 2]" 1
130 1 72 GLN H 1 73 ASN H . . 4.050 2.624 2.558 2.718 . 0 0 "[ . 1 . 2]" 1
131 1 72 GLN QB 1 73 ASN H . . 4.430 2.664 2.446 2.845 . 0 0 "[ . 1 . 2]" 1
132 1 73 ASN H 1 75 LEU H . . 4.640 3.812 3.671 4.035 . 0 0 "[ . 1 . 2]" 1
133 1 73 ASN H 1 74 ALA H . . 4.030 2.608 2.454 2.798 . 0 0 "[ . 1 . 2]" 1
134 1 93 GLU H 1 94 ARG H . . 4.360 2.811 2.713 2.893 . 0 0 "[ . 1 . 2]" 1
135 1 88 VAL H 1 89 LYS H . . 3.930 2.772 2.736 2.799 . 0 0 "[ . 1 . 2]" 1
136 1 87 ALA H 1 88 VAL H . . 4.320 2.671 2.552 2.795 . 0 0 "[ . 1 . 2]" 1
137 1 94 ARG H 1 95 ILE H . . 4.250 2.794 2.718 2.902 . 0 0 "[ . 1 . 2]" 1
138 1 69 ASN HA 1 73 ASN H . . 4.650 4.146 4.014 4.275 . 0 0 "[ . 1 . 2]" 1
139 1 25 GLU QB 1 28 ASN H . . 5.140 5.271 4.683 5.395 0.255 4 0 "[ . 1 . 2]" 1
140 1 32 GLU QB 1 33 THR H . . 3.920 2.506 2.401 3.313 . 0 0 "[ . 1 . 2]" 1
141 1 32 GLU QG 1 33 THR H . . 4.350 4.060 1.900 4.246 . 0 0 "[ . 1 . 2]" 1
142 1 30 VAL HA 1 33 THR H . . 4.340 3.729 3.582 3.847 . 0 0 "[ . 1 . 2]" 1
143 1 28 ASN H 1 30 VAL H . . 4.850 4.295 3.774 4.390 . 0 0 "[ . 1 . 2]" 1
144 1 28 ASN H 1 29 GLU QB . . 4.520 4.296 4.231 5.049 0.529 10 1 "[ . + . 2]" 1
145 1 27 ARG QB 1 28 ASN H . . 4.720 2.258 2.190 2.734 . 0 0 "[ . 1 . 2]" 1
146 1 49 CYS H 1 54 PHE QB . . 4.920 10.036 9.817 10.198 5.278 10 20 [*******-*+**********] 1
147 1 46 LYS HA 1 49 CYS H . . 4.360 3.758 3.675 3.883 . 0 0 "[ . 1 . 2]" 1
148 1 25 GLU HA 1 28 ASN H . . 4.200 3.783 3.252 3.893 . 0 0 "[ . 1 . 2]" 1
149 1 28 ASN H 1 29 GLU H . . 3.590 2.548 2.506 2.754 . 0 0 "[ . 1 . 2]" 1
150 1 46 LYS H 1 47 ASP QB . . 4.810 4.599 4.494 4.754 . 0 0 "[ . 1 . 2]" 1
151 1 70 PHE HB3 1 71 LEU H . . 4.550 3.557 3.356 3.677 . 0 0 "[ . 1 . 2]" 1
152 1 71 LEU H 1 72 GLN H . . 4.430 2.807 2.753 2.946 . 0 0 "[ . 1 . 2]" 1
153 1 70 PHE HB2 1 71 LEU H . . 4.540 2.743 2.599 2.871 . 0 0 "[ . 1 . 2]" 1
154 1 45 LEU H 1 46 LYS H . . 4.480 2.720 2.621 2.847 . 0 0 "[ . 1 . 2]" 1
155 1 38 GLU QB 1 39 LEU H . . 4.060 3.484 2.724 3.623 . 0 0 "[ . 1 . 2]" 1
156 1 67 ILE H 1 67 ILE MD . . 4.770 3.763 3.730 3.793 . 0 0 "[ . 1 . 2]" 1
157 1 40 LEU H 1 40 LEU HG . . 3.920 2.940 2.414 3.133 . 0 0 "[ . 1 . 2]" 1
158 1 36 LEU HA 1 39 LEU H . . 4.990 3.652 3.571 3.795 . 0 0 "[ . 1 . 2]" 1
159 1 40 LEU H 1 40 LEU QD . . 5.050 3.426 3.134 3.517 . 0 0 "[ . 1 . 2]" 1
160 1 39 LEU H 1 39 LEU HB2 . . 3.890 2.697 2.083 3.537 . 0 0 "[ . 1 . 2]" 1
161 1 89 LYS HA 1 92 ILE H . . 4.470 3.517 3.345 3.683 . 0 0 "[ . 1 . 2]" 1
162 1 40 LEU QD 1 67 ILE H . . 5.970 11.591 11.174 12.263 6.293 15 20 [*******-******+*****] 1
163 1 38 GLU H 1 40 LEU H . . 4.840 4.238 4.080 4.287 . 0 0 "[ . 1 . 2]" 1
164 1 92 ILE H 1 92 ILE MD . . 4.780 3.230 3.060 3.514 . 0 0 "[ . 1 . 2]" 1
165 1 13 ASP H 1 15 THR H . . 4.380 5.273 2.786 5.665 1.285 7 18 "[*****-+*******.* ***]" 1
166 1 14 GLU HA 1 15 THR H . . 2.810 3.086 3.069 3.107 0.297 16 0 "[ . 1 . 2]" 1
167 1 92 ILE H 1 93 GLU H . . 4.470 2.821 2.762 2.868 . 0 0 "[ . 1 . 2]" 1
168 1 37 MET QB 1 39 LEU H . . 5.690 4.486 4.384 4.854 . 0 0 "[ . 1 . 2]" 1
169 1 91 LEU H 1 92 ILE H . . 4.430 2.722 2.599 2.840 . 0 0 "[ . 1 . 2]" 1
170 1 97 LYS H 1 99 GLU H . . 4.710 3.860 3.718 4.041 . 0 0 "[ . 1 . 2]" 1
171 1 98 ASN HB3 1 99 GLU H . . 4.280 3.808 3.171 4.268 . 0 0 "[ . 1 . 2]" 1
172 1 98 ASN HA 1 99 GLU H . . 3.460 3.361 3.298 3.407 . 0 0 "[ . 1 . 2]" 1
173 1 98 ASN HB2 1 99 GLU H . . 4.560 3.572 3.252 4.177 . 0 0 "[ . 1 . 2]" 1
174 1 64 GLN QB 1 65 ASP H . . 3.950 2.440 2.423 2.454 . 0 0 "[ . 1 . 2]" 1
175 1 113 LYS H 1 113 LYS QD . . 5.350 4.787 4.280 4.919 . 0 0 "[ . 1 . 2]" 1
176 1 113 LYS H 1 113 LYS QB . . 3.620 2.066 2.046 2.133 . 0 0 "[ . 1 . 2]" 1
177 1 65 ASP H 1 65 ASP QB . . 3.550 2.313 2.260 2.388 . 0 0 "[ . 1 . 2]" 1
178 1 63 LEU H 1 65 ASP H . . 4.750 4.368 4.307 4.401 . 0 0 "[ . 1 . 2]" 1
179 1 112 ARG QB 1 113 LYS H . . 3.950 2.835 2.715 2.863 . 0 0 "[ . 1 . 2]" 1
180 1 27 ARG H 1 28 ASN HA . . 4.180 5.353 5.186 5.409 1.229 4 20 [***+*****-**********] 1
181 1 62 VAL HA 1 65 ASP H . . 4.090 3.857 3.800 3.919 . 0 0 "[ . 1 . 2]" 1
182 1 27 ARG H 1 28 ASN QB . . 5.590 5.033 4.704 5.168 . 0 0 "[ . 1 . 2]" 1
183 1 49 CYS H 1 50 ARG H . . 4.040 2.771 2.602 2.835 . 0 0 "[ . 1 . 2]" 1
184 1 111 LEU HA 1 113 LYS H . . 4.750 4.229 4.153 4.400 . 0 0 "[ . 1 . 2]" 1
185 1 80 SER QB 1 81 ASP H . . 4.880 3.306 2.061 3.828 . 0 0 "[ . 1 . 2]" 1
186 1 74 ALA HA 1 81 ASP H . . 4.390 8.281 6.738 9.552 5.162 19 20 [****************-*+*] 1
187 1 32 GLU H 1 32 GLU QB . . 3.290 2.288 2.205 2.639 . 0 0 "[ . 1 . 2]" 1
188 1 31 GLU H 1 32 GLU H . . 4.210 2.649 2.517 2.778 . 0 0 "[ . 1 . 2]" 1
189 1 32 GLU H 1 32 GLU QG . . 4.060 2.610 1.967 2.834 . 0 0 "[ . 1 . 2]" 1
190 1 32 GLU H 1 33 THR H . . 3.990 2.743 2.613 2.854 . 0 0 "[ . 1 . 2]" 1
191 1 88 VAL HA 1 91 LEU H . . 4.620 3.812 3.690 3.864 . 0 0 "[ . 1 . 2]" 1
192 1 90 PHE HB2 1 91 LEU H . . 4.620 3.917 3.662 4.042 . 0 0 "[ . 1 . 2]" 1
193 1 90 PHE HB3 1 91 LEU H . . 4.500 2.565 2.365 2.744 . 0 0 "[ . 1 . 2]" 1
194 1 45 LEU H 1 47 ASP H . . 4.680 4.282 4.129 4.393 . 0 0 "[ . 1 . 2]" 1
195 1 43 SER H 1 45 LEU H . . 4.540 4.448 4.195 4.524 . 0 0 "[ . 1 . 2]" 1
196 1 31 GLU H 1 33 THR H . . 4.800 4.279 3.997 4.343 . 0 0 "[ . 1 . 2]" 1
197 1 42 VAL HA 1 45 LEU H . . 4.750 4.721 4.524 4.856 0.106 5 0 "[ . 1 . 2]" 1
198 1 44 GLU QB 1 45 LEU H . . 5.150 2.565 2.338 3.035 . 0 0 "[ . 1 . 2]" 1
199 1 29 GLU HA 1 31 GLU H . . 4.920 4.531 4.326 4.650 . 0 0 "[ . 1 . 2]" 1
200 1 111 LEU H 1 112 ARG H . . 4.170 2.756 2.702 2.798 . 0 0 "[ . 1 . 2]" 1
201 1 46 LYS QB 1 47 ASP H . . 4.990 2.355 2.255 2.559 . 0 0 "[ . 1 . 2]" 1
202 1 28 ASN HA 1 31 GLU H . . 4.450 3.604 3.362 3.766 . 0 0 "[ . 1 . 2]" 1
203 1 8 GLU H 1 10 TYR H . . 4.480 3.998 3.490 4.300 . 0 0 "[ . 1 . 2]" 1
204 1 47 ASP H 1 47 ASP QB . . 3.640 2.222 2.110 2.326 . 0 0 "[ . 1 . 2]" 1
205 1 46 LYS H 1 47 ASP H . . 4.110 2.845 2.764 2.931 . 0 0 "[ . 1 . 2]" 1
206 1 44 GLU HA 1 47 ASP H . . 4.390 3.861 3.673 3.993 . 0 0 "[ . 1 . 2]" 1
207 1 7 LEU HB3 1 8 GLU H . . 3.890 4.063 3.343 4.260 0.370 15 0 "[ . 1 . 2]" 1
208 1 47 ASP H 1 48 ILE H . . 3.970 2.732 2.661 2.828 . 0 0 "[ . 1 . 2]" 1
209 1 8 GLU H 1 8 GLU HB2 . . 3.580 3.124 2.224 3.679 0.099 2 0 "[ . 1 . 2]" 1
210 1 7 LEU HB2 1 8 GLU H . . 3.900 4.064 3.624 4.246 0.346 19 0 "[ . 1 . 2]" 1
211 1 6 ASN HA 1 8 GLU H . . 4.450 6.380 5.346 7.032 2.582 2 20 [*+************-*****] 1
212 1 8 GLU H 1 8 GLU HB3 . . 3.310 2.836 2.379 3.565 0.255 7 0 "[ . 1 . 2]" 1
213 1 62 VAL H 1 63 LEU H . . 4.170 2.662 2.592 2.762 . 0 0 "[ . 1 . 2]" 1
214 1 65 ASP QB 1 66 LEU H . . 4.130 3.499 3.486 3.540 . 0 0 "[ . 1 . 2]" 1
215 1 66 LEU H 1 67 ILE H . . 4.210 2.589 2.559 2.613 . 0 0 "[ . 1 . 2]" 1
216 1 63 LEU HA 1 66 LEU H . . 4.310 3.646 3.589 3.711 . 0 0 "[ . 1 . 2]" 1
217 1 7 LEU HA 1 9 ASP H . . 4.200 3.840 3.460 4.169 . 0 0 "[ . 1 . 2]" 1
218 1 6 ASN HA 1 9 ASP H . . 4.560 7.477 6.827 8.434 3.874 2 20 [*+*-****************] 1
219 1 9 ASP H 1 9 ASP QB . . 3.870 2.213 2.116 2.587 . 0 0 "[ . 1 . 2]" 1
220 1 8 GLU H 1 9 ASP H . . 3.440 2.617 2.149 2.793 . 0 0 "[ . 1 . 2]" 1
221 1 36 LEU H 1 37 MET QB . . 5.800 4.592 4.493 4.712 . 0 0 "[ . 1 . 2]" 1
222 1 35 THR H 1 36 LEU H . . 4.090 2.605 2.506 2.694 . 0 0 "[ . 1 . 2]" 1
223 1 8 GLU HB3 1 9 ASP H . . 4.050 3.868 3.659 3.963 . 0 0 "[ . 1 . 2]" 1
224 1 90 PHE H 1 90 PHE HB2 . . 3.840 2.621 2.341 2.751 . 0 0 "[ . 1 . 2]" 1
225 1 90 PHE H 1 90 PHE HB3 . . 3.940 2.430 2.315 2.722 . 0 0 "[ . 1 . 2]" 1
226 1 7 LEU QB 1 9 ASP H . . 5.790 3.415 2.597 3.741 . 0 0 "[ . 1 . 2]" 1
227 1 36 LEU H 1 37 MET H . . 4.360 2.639 2.560 2.703 . 0 0 "[ . 1 . 2]" 1
228 1 9 ASP H 1 10 TYR QB . . 5.150 4.138 3.809 4.724 . 0 0 "[ . 1 . 2]" 1
229 1 7 LEU HA 1 10 TYR H . . 4.660 4.469 4.221 4.594 . 0 0 "[ . 1 . 2]" 1
230 1 35 THR MG 1 36 LEU H . . 5.050 3.322 3.183 3.488 . 0 0 "[ . 1 . 2]" 1
231 1 8 GLU HB2 1 9 ASP H . . 3.980 3.652 3.016 3.972 . 0 0 "[ . 1 . 2]" 1
232 1 33 THR HA 1 36 LEU H . . 4.120 3.486 3.409 3.578 . 0 0 "[ . 1 . 2]" 1
233 1 89 LYS H 1 90 PHE H . . 3.810 2.743 2.677 2.788 . 0 0 "[ . 1 . 2]" 1
234 1 87 ALA HA 1 90 PHE H . . 4.140 3.709 3.617 3.796 . 0 0 "[ . 1 . 2]" 1
235 1 35 THR HB 1 36 LEU H . . 3.900 2.746 2.630 2.834 . 0 0 "[ . 1 . 2]" 1
236 1 8 GLU HA 1 10 TYR H . . 4.700 3.649 3.507 4.061 . 0 0 "[ . 1 . 2]" 1
237 1 38 GLU H 1 38 GLU QB . . 3.780 2.302 2.096 2.393 . 0 0 "[ . 1 . 2]" 1
238 1 9 ASP H 1 10 TYR H . . 3.530 2.501 2.311 2.743 . 0 0 "[ . 1 . 2]" 1
239 1 35 THR HB 1 37 MET H . . 4.890 5.169 5.053 5.242 0.352 4 0 "[ . 1 . 2]" 1
240 1 10 TYR H 1 11 TRP QB . . 5.030 3.603 3.449 3.830 . 0 0 "[ . 1 . 2]" 1
241 1 37 MET H 1 92 ILE MD . . 5.410 11.470 10.885 12.188 6.778 16 20 [***************+-***] 1
242 1 34 ILE MG 1 38 GLU H . . 5.020 4.665 3.706 5.629 0.609 16 1 "[ . 1 .+ 2]" 1
243 1 86 GLN HA 1 90 PHE H . . 4.390 3.931 3.731 4.147 . 0 0 "[ . 1 . 2]" 1
244 1 105 LYS QB 1 108 TRP H . . 5.630 5.323 5.281 5.352 . 0 0 "[ . 1 . 2]" 1
245 1 106 ASP H 1 108 TRP H . . 4.960 4.266 4.221 4.307 . 0 0 "[ . 1 . 2]" 1
246 1 92 ILE HA 1 95 ILE H . . 4.280 3.709 3.590 3.896 . 0 0 "[ . 1 . 2]" 1
247 1 105 LYS HA 1 108 TRP H . . 4.600 3.961 3.900 4.027 . 0 0 "[ . 1 . 2]" 1
248 1 86 GLN HA 1 89 LYS H . . 4.360 3.818 3.691 3.997 . 0 0 "[ . 1 . 2]" 1
249 1 37 MET H 1 38 GLU H . . 4.350 2.486 2.364 2.580 . 0 0 "[ . 1 . 2]" 1
250 1 38 GLU H 1 39 LEU H . . 4.360 2.487 2.403 2.574 . 0 0 "[ . 1 . 2]" 1
251 1 108 TRP H 1 108 TRP HB3 . . 4.130 2.539 2.428 2.652 . 0 0 "[ . 1 . 2]" 1
252 1 50 ARG HA 1 54 PHE H . . 4.320 4.365 4.185 4.614 0.294 10 0 "[ . 1 . 2]" 1
253 1 92 ILE MD 1 95 ILE H . . 5.550 6.643 6.527 6.785 1.235 8 20 [*******+**-*********] 1
254 1 52 VAL H 1 54 PHE H . . 4.310 3.747 3.582 3.863 . 0 0 "[ . 1 . 2]" 1
255 1 85 VAL HA 1 89 LYS H . . 4.830 3.683 3.368 3.892 . 0 0 "[ . 1 . 2]" 1
256 1 54 PHE H 1 54 PHE QB . . 3.910 3.338 3.004 3.456 . 0 0 "[ . 1 . 2]" 1
257 1 25 GLU H 1 28 ASN QB . . 5.750 5.985 4.886 6.234 0.484 16 0 "[ . 1 . 2]" 1
258 1 23 THR HA 1 25 GLU H . . 4.090 6.322 6.141 6.509 2.419 3 20 [**+********-********] 1
259 1 24 ASN H 1 25 GLU H . . 3.990 4.373 4.210 4.484 0.494 19 0 "[ . 1 . 2]" 1
260 1 25 GLU H 1 26 LEU H . . 4.090 2.849 2.821 2.870 . 0 0 "[ . 1 . 2]" 1
261 1 92 ILE MD 1 93 GLU H . . 5.420 4.051 3.776 4.295 . 0 0 "[ . 1 . 2]" 1
262 1 90 PHE HA 1 93 GLU H . . 4.360 3.771 3.701 3.849 . 0 0 "[ . 1 . 2]" 1
263 1 19 ASP HB2 1 20 ARG H . . 4.270 2.782 2.071 3.152 . 0 0 "[ . 1 . 2]" 1
264 1 20 ARG H 1 21 GLU H . . 3.840 2.360 1.899 2.861 . 0 0 "[ . 1 . 2]" 1
265 1 19 ASP HA 1 20 ARG H . . 3.090 2.355 2.219 2.638 . 0 0 "[ . 1 . 2]" 1
266 1 20 ARG H 1 20 ARG QB . . 3.580 2.650 2.245 2.951 . 0 0 "[ . 1 . 2]" 1
267 1 19 ASP HB3 1 20 ARG H . . 4.500 3.560 3.208 3.756 . 0 0 "[ . 1 . 2]" 1
268 1 76 VAL H 1 77 VAL H . . 4.760 3.229 3.011 3.362 . 0 0 "[ . 1 . 2]" 1
269 1 76 VAL H 1 80 SER HA . . 4.490 8.868 8.438 9.942 5.452 8 20 [*******+-***********] 1
270 1 23 THR HA 1 24 ASN H . . 3.290 2.386 2.151 2.639 . 0 0 "[ . 1 . 2]" 1
271 1 47 ASP QB 1 48 ILE H . . 4.230 2.515 2.372 2.642 . 0 0 "[ . 1 . 2]" 1
272 1 81 ASP QB 1 84 ARG H . . 4.790 6.267 5.862 6.759 1.969 7 20 [*-****+*************] 1
273 1 48 ILE H 1 49 CYS H . . 4.300 2.850 2.785 2.875 . 0 0 "[ . 1 . 2]" 1
274 1 41 LYS H 1 44 GLU H . . 4.650 9.060 8.720 9.263 4.613 15 20 [*******-******+*****] 1
275 1 40 LEU QD 1 41 LYS H . . 5.830 4.371 4.288 4.509 . 0 0 "[ . 1 . 2]" 1
276 1 41 LYS H 1 44 GLU QB . . 5.100 9.126 8.480 9.696 4.596 18 20 [*******-*********+**] 1
277 1 40 LEU H 1 41 LYS H . . 4.750 2.773 2.643 2.971 . 0 0 "[ . 1 . 2]" 1
278 1 74 ALA H 1 75 LEU QB . . 5.530 4.336 3.981 4.982 . 0 0 "[ . 1 . 2]" 1
279 1 74 ALA H 1 75 LEU H . . 3.840 2.345 2.299 2.492 . 0 0 "[ . 1 . 2]" 1
280 1 72 GLN H 1 74 ALA H . . 4.630 4.062 3.861 4.237 . 0 0 "[ . 1 . 2]" 1
281 1 71 LEU HA 1 74 ALA H . . 4.700 3.646 3.497 3.882 . 0 0 "[ . 1 . 2]" 1
282 1 13 ASP H 1 13 ASP HB3 . . 3.530 3.801 3.321 3.985 0.455 14 0 "[ . 1 . 2]" 1
283 1 12 GLU H 1 13 ASP H . . 3.920 2.375 1.871 3.297 . 0 0 "[ . 1 . 2]" 1
284 1 26 LEU HA 1 29 GLU H . . 3.940 3.471 3.421 3.811 . 0 0 "[ . 1 . 2]" 1
285 1 13 ASP H 1 13 ASP HB2 . . 3.650 3.411 2.407 3.996 0.346 3 0 "[ . 1 . 2]" 1
286 1 70 PHE H 1 70 PHE HB3 . . 4.200 3.566 3.541 3.587 . 0 0 "[ . 1 . 2]" 1
287 1 70 PHE H 1 71 LEU H . . 4.350 2.658 2.611 2.749 . 0 0 "[ . 1 . 2]" 1
288 1 67 ILE HA 1 70 PHE H . . 4.270 3.857 3.761 3.965 . 0 0 "[ . 1 . 2]" 1
289 1 69 ASN QB 1 70 PHE H . . 4.330 2.418 2.299 3.413 . 0 0 "[ . 1 . 2]" 1
290 1 29 GLU H 1 29 GLU QB . . 3.490 2.177 2.141 2.583 . 0 0 "[ . 1 . 2]" 1
291 1 28 ASN QB 1 29 GLU H . . 4.890 3.438 2.311 3.544 . 0 0 "[ . 1 . 2]" 1
292 1 14 GLU H 1 14 GLU QB . . 3.350 2.527 2.193 2.683 . 0 0 "[ . 1 . 2]" 1
293 1 13 ASP HB2 1 14 GLU H . . 3.900 3.709 1.951 4.399 0.499 20 0 "[ . 1 . 2]" 1
294 1 13 ASP H 1 14 GLU H . . 3.740 3.901 2.655 4.311 0.571 15 2 "[ .- 1 + 2]" 1
295 1 13 ASP HB3 1 14 GLU H . . 3.970 3.613 1.940 3.985 0.015 12 0 "[ . 1 . 2]" 1
296 1 13 ASP HA 1 14 GLU H . . 2.860 2.295 2.137 3.554 0.694 17 1 "[ . 1 . + 2]" 1
297 1 12 GLU HA 1 14 GLU H . . 4.510 6.140 4.822 6.988 2.478 6 18 "[*****+**-1****** ***]" 1
298 1 83 TYR HA 1 87 ALA H . . 4.510 4.138 3.692 4.258 . 0 0 "[ . 1 . 2]" 1
299 1 86 GLN H 1 87 ALA H . . 4.180 2.837 2.754 2.943 . 0 0 "[ . 1 . 2]" 1
300 1 78 GLY H 1 79 LYS H . . 3.980 4.449 4.379 4.627 0.647 3 4 "[ + .- 1 . **]" 1
301 1 77 VAL HA 1 79 LYS H . . 4.010 5.729 5.632 6.175 2.165 3 20 [**+*****-***********] 1
302 1 79 LYS H 1 80 SER HA . . 4.250 5.076 4.501 5.353 1.103 3 19 "[**+*** -************]" 1
303 1 110 ALA H 1 112 ARG H . . 4.920 4.360 4.255 4.431 . 0 0 "[ . 1 . 2]" 1
304 1 109 ASN QB 1 110 ALA H . . 4.080 2.423 2.304 2.505 . 0 0 "[ . 1 . 2]" 1
305 1 60 LYS H 1 60 LYS QG . . 4.870 2.884 2.222 4.251 . 0 0 "[ . 1 . 2]" 1
306 1 110 ALA H 1 111 LEU H . . 4.120 2.695 2.617 2.735 . 0 0 "[ . 1 . 2]" 1
307 1 110 ALA H 1 112 ARG QB . . 4.610 5.375 5.308 5.461 0.851 6 20 [*****+*-************] 1
308 1 11 TRP H 1 12 GLU H . . 3.770 1.960 1.860 2.362 . 0 0 "[ . 1 . 2]" 1
309 1 12 GLU H 1 12 GLU QB . . 3.820 2.394 2.058 2.848 . 0 0 "[ . 1 . 2]" 1
310 1 41 LYS QB 1 42 VAL H . . 3.830 3.073 2.316 3.808 . 0 0 "[ . 1 . 2]" 1
311 1 41 LYS HA 1 42 VAL H . . 3.500 2.269 2.143 2.477 . 0 0 "[ . 1 . 2]" 1
312 1 41 LYS H 1 42 VAL H . . 4.800 4.577 4.248 4.644 . 0 0 "[ . 1 . 2]" 1
313 1 67 ILE H 1 68 ARG H . . 4.430 2.712 2.594 2.761 . 0 0 "[ . 1 . 2]" 1
314 1 65 ASP H 1 68 ARG H . . 4.880 4.963 4.868 5.017 0.137 20 0 "[ . 1 . 2]" 1
315 1 26 LEU H 1 27 ARG H . . 3.960 2.575 2.532 2.916 . 0 0 "[ . 1 . 2]" 1
316 1 64 GLN QB 1 68 ARG H . . 4.810 4.904 4.876 4.948 0.138 11 0 "[ . 1 . 2]" 1
317 1 65 ASP HA 1 68 ARG H . . 4.490 3.655 3.501 3.713 . 0 0 "[ . 1 . 2]" 1
318 1 67 ILE MD 1 68 ARG H . . 5.080 4.455 4.380 4.657 . 0 0 "[ . 1 . 2]" 1
319 1 25 GLU QB 1 26 LEU H . . 4.780 2.563 2.489 2.683 . 0 0 "[ . 1 . 2]" 1
320 1 26 LEU H 1 27 ARG QB . . 5.230 4.293 4.232 4.644 . 0 0 "[ . 1 . 2]" 1
321 1 68 ARG H 1 70 PHE H . . 4.820 4.271 3.972 4.358 . 0 0 "[ . 1 . 2]" 1
322 1 23 THR HA 1 26 LEU H . . 4.780 7.598 7.173 7.799 3.019 9 20 [********+*****-*****] 1
323 1 21 GLU H 1 21 GLU HB2 . . 3.840 3.307 2.194 3.732 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLU H 1 21 GLU HB3 . . 3.490 3.235 2.335 3.852 0.362 12 0 "[ . 1 . 2]" 1
325 1 11 TRP H 1 11 TRP HB2 . . 3.700 3.217 2.669 3.869 0.169 16 0 "[ . 1 . 2]" 1
326 1 11 TRP H 1 11 TRP HB3 . . 3.600 3.116 2.392 3.492 . 0 0 "[ . 1 . 2]" 1
327 1 11 TRP H 1 11 TRP HD1 . . 4.340 4.494 1.921 5.017 0.677 19 5 "[* * . 1 - . +*]" 1
328 1 8 GLU HA 1 11 TRP H . . 4.770 3.854 2.754 4.458 . 0 0 "[ . 1 . 2]" 1
329 1 44 GLU H 1 45 LEU H . . 4.260 2.711 2.639 2.767 . 0 0 "[ . 1 . 2]" 1
330 1 6 ASN H 1 9 ASP QB . . 5.540 9.172 8.583 9.986 4.446 19 20 [***-**************+*] 1
331 1 41 LYS QB 1 44 GLU H . . 4.220 6.571 6.310 6.762 2.542 20 20 [*-*****************+] 1
332 1 5 ILE H 1 6 ASN H . . 3.560 2.256 1.832 4.244 0.684 18 1 "[ . 1 . + 2]" 1
333 1 5 ILE HA 1 6 ASN H . . 2.720 3.000 2.305 3.227 0.507 17 1 "[ . 1 . + 2]" 1
334 1 40 LEU QD 1 44 GLU H . . 6.480 8.999 8.278 9.744 3.264 13 20 [**********-*+*******] 1
335 1 6 ASN HA 1 7 LEU H . . 2.800 2.654 2.142 3.546 0.746 2 1 "[ + . 1 . 2]" 1
336 1 6 ASN H 1 7 LEU H . . 4.160 4.111 2.944 4.283 0.123 16 0 "[ . 1 . 2]" 1
337 1 30 VAL H 1 31 GLU H . . 4.270 2.623 2.512 2.680 . 0 0 "[ . 1 . 2]" 1
338 1 29 GLU QB 1 30 VAL H . . 4.030 2.661 2.548 3.563 . 0 0 "[ . 1 . 2]" 1
339 1 29 GLU H 1 30 VAL H . . 4.160 2.638 2.500 2.734 . 0 0 "[ . 1 . 2]" 1
340 1 27 ARG QB 1 30 VAL H . . 5.590 5.111 4.905 5.168 . 0 0 "[ . 1 . 2]" 1
341 1 33 THR H 1 34 ILE H . . 4.410 2.698 2.580 2.766 . 0 0 "[ . 1 . 2]" 1
342 1 34 ILE H 1 34 ILE HB . . 3.920 3.063 2.412 3.610 . 0 0 "[ . 1 . 2]" 1
343 1 31 GLU HA 1 34 ILE H . . 4.390 3.669 3.588 3.762 . 0 0 "[ . 1 . 2]" 1
344 1 34 ILE H 1 35 THR H . . 4.290 2.728 2.627 2.864 . 0 0 "[ . 1 . 2]" 1
345 1 106 ASP HB3 1 107 LEU H . . 4.300 2.510 2.302 2.628 . 0 0 "[ . 1 . 2]" 1
346 1 104 TYR HA 1 107 LEU H . . 4.430 4.579 4.552 4.624 0.194 14 0 "[ . 1 . 2]" 1
347 1 106 ASP HB2 1 107 LEU H . . 4.420 3.382 3.144 3.783 . 0 0 "[ . 1 . 2]" 1
348 1 107 LEU H 1 107 LEU QB . . 3.810 2.188 2.101 2.235 . 0 0 "[ . 1 . 2]" 1
349 1 107 LEU H 1 108 TRP HB3 . . 4.730 4.942 4.849 5.099 0.369 12 0 "[ . 1 . 2]" 1
350 1 107 LEU H 1 108 TRP H . . 4.310 2.810 2.767 2.847 . 0 0 "[ . 1 . 2]" 1
351 1 77 VAL H 1 77 VAL HB . . 3.790 2.446 2.263 2.557 . 0 0 "[ . 1 . 2]" 1
352 1 104 TYR H 1 105 LYS H . . 4.920 4.596 4.537 4.614 . 0 0 "[ . 1 . 2]" 1
353 1 72 GLN HA 1 75 LEU H . . 4.450 3.297 3.110 3.432 . 0 0 "[ . 1 . 2]" 1
354 1 113 LYS HA 1 114 GLY H . . 3.550 3.565 3.561 3.568 0.018 8 0 "[ . 1 . 2]" 1
355 1 61 ALA HA 1 64 GLN H . . 4.360 3.598 3.485 3.689 . 0 0 "[ . 1 . 2]" 1
356 1 55 PRO HA 1 57 SER H . . 4.150 5.656 5.138 6.340 2.190 8 20 [*******+***********-] 1
357 1 65 ASP HA 1 69 ASN H . . 4.490 3.713 3.604 3.791 . 0 0 "[ . 1 . 2]" 1
358 1 97 LYS H 1 98 ASN QB . . 5.260 4.353 4.169 4.672 . 0 0 "[ . 1 . 2]" 1
359 1 97 LYS H 1 97 LYS QG . . 4.700 2.818 2.115 3.388 . 0 0 "[ . 1 . 2]" 1
360 1 94 ARG QB 1 97 LYS H . . 5.370 4.912 4.740 5.110 . 0 0 "[ . 1 . 2]" 1
361 1 97 LYS QB 1 98 ASN H . . 5.280 3.406 3.051 3.753 . 0 0 "[ . 1 . 2]" 1
362 1 103 VAL HA 1 106 ASP H . . 4.550 8.036 7.932 8.115 3.565 5 20 [****+**************-] 1
363 1 69 ASN HA 1 72 GLN H . . 4.320 3.744 3.632 3.962 . 0 0 "[ . 1 . 2]" 1
364 1 69 ASN QB 1 72 GLN H . . 5.270 5.211 5.098 5.379 0.109 18 0 "[ . 1 . 2]" 1
365 1 70 PHE HA 1 73 ASN H . . 4.550 3.459 3.344 3.582 . 0 0 "[ . 1 . 2]" 1
366 1 94 ARG H 1 94 ARG QG . . 5.060 3.921 3.532 4.040 . 0 0 "[ . 1 . 2]" 1
367 1 90 PHE HA 1 94 ARG H . . 4.280 4.005 3.684 4.306 0.026 20 0 "[ . 1 . 2]" 1
368 1 45 LEU QB 1 46 LYS H . . 5.440 2.383 2.212 2.574 . 0 0 "[ . 1 . 2]" 1
369 1 13 ASP HA 1 15 THR H . . 4.310 3.598 3.281 4.516 0.206 17 0 "[ . 1 . 2]" 1
370 1 13 ASP QB 1 15 THR H . . 5.390 3.371 2.349 4.122 . 0 0 "[ . 1 . 2]" 1
371 1 38 GLU QG 1 39 LEU H . . 5.430 2.589 2.208 4.481 . 0 0 "[ . 1 . 2]" 1
372 1 64 GLN HA 1 67 ILE H . . 4.610 3.484 3.469 3.498 . 0 0 "[ . 1 . 2]" 1
373 1 37 MET HA 1 40 LEU H . . 4.470 4.041 3.746 4.126 . 0 0 "[ . 1 . 2]" 1
374 1 47 ASP HA 1 50 ARG H . . 4.400 3.634 3.506 3.714 . 0 0 "[ . 1 . 2]" 1
375 1 113 LYS H 1 113 LYS QG . . 4.830 3.310 3.007 3.439 . 0 0 "[ . 1 . 2]" 1
376 1 98 ASN QB 1 99 GLU H . . 4.960 3.190 3.064 3.345 . 0 0 "[ . 1 . 2]" 1
377 1 61 ALA HA 1 65 ASP H . . 4.480 3.800 3.633 3.911 . 0 0 "[ . 1 . 2]" 1
378 1 28 ASN HA 1 32 GLU H . . 4.700 3.783 3.626 4.108 . 0 0 "[ . 1 . 2]" 1
379 1 91 LEU H 1 92 ILE MD . . 5.670 4.816 4.641 5.255 . 0 0 "[ . 1 . 2]" 1
380 1 7 LEU HA 1 8 GLU H . . 3.430 2.193 2.143 2.368 . 0 0 "[ . 1 . 2]" 1
381 1 7 LEU QB 1 8 GLU H . . 4.570 3.608 3.187 3.680 . 0 0 "[ . 1 . 2]" 1
382 1 60 LYS QG 1 63 LEU H . . 5.370 2.075 1.860 2.647 . 0 0 "[ . 1 . 2]" 1
383 1 32 GLU HA 1 36 LEU H . . 4.510 4.141 3.958 4.284 . 0 0 "[ . 1 . 2]" 1
384 1 8 GLU QB 1 9 ASP H . . 4.500 3.320 2.910 3.535 . 0 0 "[ . 1 . 2]" 1
385 1 8 GLU HA 1 9 ASP H . . 3.160 3.479 3.417 3.509 0.349 5 0 "[ . 1 . 2]" 1
386 1 38 GLU H 1 38 GLU QG . . 4.840 2.611 2.458 3.138 . 0 0 "[ . 1 . 2]" 1
387 1 9 ASP HA 1 10 TYR H . . 3.050 3.231 3.118 3.471 0.421 18 0 "[ . 1 . 2]" 1
388 1 9 ASP QB 1 10 TYR H . . 4.380 3.478 3.217 3.639 . 0 0 "[ . 1 . 2]" 1
389 1 34 ILE HA 1 37 MET H . . 4.570 3.610 3.562 3.674 . 0 0 "[ . 1 . 2]" 1
390 1 33 THR HA 1 37 MET H . . 4.670 4.083 3.902 4.174 . 0 0 "[ . 1 . 2]" 1
391 1 91 LEU HA 1 95 ILE H . . 4.540 3.893 3.483 4.237 . 0 0 "[ . 1 . 2]" 1
392 1 35 THR HA 1 38 GLU H . . 4.480 3.512 3.243 3.676 . 0 0 "[ . 1 . 2]" 1
393 1 49 CYS HA 1 54 PHE H . . 4.800 6.003 5.770 6.131 1.331 4 20 [***+***-************] 1
394 1 19 ASP QB 1 20 ARG H . . 4.890 2.676 2.047 2.998 . 0 0 "[ . 1 . 2]" 1
395 1 73 ASN HA 1 76 VAL H . . 4.550 4.292 3.943 4.469 . 0 0 "[ . 1 . 2]" 1
396 1 75 LEU QB 1 76 VAL H . . 5.340 3.275 3.029 3.649 . 0 0 "[ . 1 . 2]" 1
397 1 40 LEU QB 1 41 LYS H . . 5.490 3.721 3.592 3.814 . 0 0 "[ . 1 . 2]" 1
398 1 45 LEU HA 1 48 ILE H . . 4.130 3.561 3.478 3.793 . 0 0 "[ . 1 . 2]" 1
399 1 73 ASN QB 1 74 ALA H . . 5.420 2.783 2.652 2.975 . 0 0 "[ . 1 . 2]" 1
400 1 13 ASP QB 1 14 GLU H . . 4.360 3.148 1.904 3.650 . 0 0 "[ . 1 . 2]" 1
401 1 79 LYS H 1 80 SER QB . . 5.380 4.569 4.371 4.827 . 0 0 "[ . 1 . 2]" 1
402 1 107 LEU HA 1 110 ALA H . . 4.280 3.771 3.648 3.906 . 0 0 "[ . 1 . 2]" 1
403 1 106 ASP HA 1 110 ALA H . . 4.290 3.887 3.684 4.042 . 0 0 "[ . 1 . 2]" 1
404 1 11 TRP QB 1 12 GLU H . . 4.920 3.710 3.359 3.886 . 0 0 "[ . 1 . 2]" 1
405 1 108 TRP HA 1 110 ALA H . . 4.650 4.635 4.438 4.781 0.131 6 0 "[ . 1 . 2]" 1
406 1 11 TRP HA 1 12 GLU H . . 3.390 3.030 2.796 3.369 . 0 0 "[ . 1 . 2]" 1
407 1 21 GLU H 1 21 GLU QG . . 4.730 3.517 2.032 4.292 . 0 0 "[ . 1 . 2]" 1
408 1 20 ARG HA 1 21 GLU H . . 3.440 3.076 2.965 3.554 0.114 14 0 "[ . 1 . 2]" 1
409 1 10 TYR QB 1 11 TRP H . . 4.680 3.729 3.617 3.854 . 0 0 "[ . 1 . 2]" 1
410 1 10 TYR HA 1 11 TRP H . . 3.210 2.988 2.826 3.101 . 0 0 "[ . 1 . 2]" 1
411 1 6 ASN H 1 7 LEU HA . . 4.480 4.940 4.664 5.683 1.203 4 4 "[ +. * 1 - *]" 1
412 1 39 LEU HA 1 44 GLU H . . 4.470 12.442 12.182 12.756 8.286 16 20 [***-***********+****] 1
413 1 27 ARG HA 1 30 VAL H . . 4.430 3.814 3.391 3.913 . 0 0 "[ . 1 . 2]" 1
414 1 26 LEU HA 1 30 VAL H . . 4.420 3.524 3.385 4.157 . 0 0 "[ . 1 . 2]" 1
415 1 106 ASP QB 1 107 LEU H . . 5.270 2.435 2.278 2.518 . 0 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 106
_Distance_constraint_stats_list.Viol_count 2060
_Distance_constraint_stats_list.Viol_total 21776.789
_Distance_constraint_stats_list.Viol_max 4.674
_Distance_constraint_stats_list.Viol_rms 1.0573
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5136
_Distance_constraint_stats_list.Viol_average_violations_only 0.5286
_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 23 THR 169.744 4.674 10 20 [*********+******-***]
1 24 ASN 11.449 0.395 15 0 "[ . 1 . 2]"
1 25 GLU 8.065 0.263 18 0 "[ . 1 . 2]"
1 26 LEU 1.235 0.254 10 0 "[ . 1 . 2]"
1 27 ARG 181.145 4.674 10 20 [*********+******-***]
1 28 ASN 20.313 0.395 15 0 "[ . 1 . 2]"
1 29 GLU 20.405 0.362 4 0 "[ . 1 . 2]"
1 30 VAL 8.191 0.298 15 0 "[ . 1 . 2]"
1 31 GLU 17.966 0.367 4 0 "[ . 1 . 2]"
1 32 GLU 18.407 0.317 4 0 "[ . 1 . 2]"
1 33 THR 21.030 0.362 4 0 "[ . 1 . 2]"
1 34 ILE 9.187 0.298 15 0 "[ . 1 . 2]"
1 35 THR 6.566 0.287 15 0 "[ . 1 . 2]"
1 36 LEU 9.544 0.283 15 0 "[ . 1 . 2]"
1 37 MET 8.690 0.315 4 0 "[ . 1 . 2]"
1 38 GLU 2.231 0.217 17 0 "[ . 1 . 2]"
1 41 LYS 158.872 4.354 13 20 [*******-****+*******]
1 42 VAL 3.431 0.291 20 0 "[ . 1 . 2]"
1 43 SER 9.891 0.318 9 0 "[ . 1 . 2]"
1 44 GLU 9.308 0.316 3 0 "[ . 1 . 2]"
1 45 LEU 167.312 4.354 13 20 [*******-****+*******]
1 46 LYS 10.288 0.292 9 0 "[ . 1 . 2]"
1 47 ASP 17.335 0.318 9 0 "[ . 1 . 2]"
1 48 ILE 17.439 0.319 8 0 "[ . 1 . 2]"
1 49 CYS 8.440 0.338 20 0 "[ . 1 . 2]"
1 50 ARG 6.857 0.292 9 0 "[ . 1 . 2]"
1 51 SER 7.444 0.247 2 0 "[ . 1 . 2]"
1 52 VAL 8.131 0.319 8 0 "[ . 1 . 2]"
1 59 ARG 162.799 4.288 16 20 [****-**********+****]
1 60 LYS 9.226 0.311 11 0 "[ . 1 . 2]"
1 61 ALA 7.888 0.276 2 0 "[ . 1 . 2]"
1 62 VAL 8.865 0.365 7 0 "[ . 1 . 2]"
1 63 LEU 172.225 4.288 16 20 [****-**********+****]
1 64 GLN 20.807 0.371 20 0 "[ . 1 . 2]"
1 65 ASP 15.582 0.276 2 0 "[ . 1 . 2]"
1 66 LEU 17.843 0.365 7 0 "[ . 1 . 2]"
1 67 ILE 18.663 0.315 8 0 "[ . 1 . 2]"
1 68 ARG 22.491 0.371 20 0 "[ . 1 . 2]"
1 69 ASN 16.391 0.304 8 0 "[ . 1 . 2]"
1 70 PHE 10.538 0.294 2 0 "[ . 1 . 2]"
1 71 LEU 9.237 0.267 20 0 "[ . 1 . 2]"
1 72 GLN 10.910 0.351 18 0 "[ . 1 . 2]"
1 73 ASN 8.697 0.304 8 0 "[ . 1 . 2]"
1 74 ALA 1.559 0.173 16 0 "[ . 1 . 2]"
1 82 PRO 52.235 1.797 4 20 [***+*************-**]
1 83 TYR 9.464 0.312 15 0 "[ . 1 . 2]"
1 84 ARG 9.518 0.318 14 0 "[ . 1 . 2]"
1 85 VAL 4.602 0.259 7 0 "[ . 1 . 2]"
1 86 GLN 59.050 1.797 4 20 [***+*************-**]
1 87 ALA 18.784 0.312 15 0 "[ . 1 . 2]"
1 88 VAL 20.919 0.355 20 0 "[ . 1 . 2]"
1 89 LYS 9.734 0.280 9 0 "[ . 1 . 2]"
1 90 PHE 16.749 0.311 17 0 "[ . 1 . 2]"
1 91 LEU 14.016 0.333 20 0 "[ . 1 . 2]"
1 92 ILE 22.658 0.362 20 0 "[ . 1 . 2]"
1 93 GLU 11.088 0.306 18 0 "[ . 1 . 2]"
1 94 ARG 16.539 0.351 8 0 "[ . 1 . 2]"
1 95 ILE 4.696 0.333 20 0 "[ . 1 . 2]"
1 96 ARG 11.257 0.362 20 0 "[ . 1 . 2]"
1 97 LYS 5.955 0.306 18 0 "[ . 1 . 2]"
1 98 ASN 6.605 0.351 8 0 "[ . 1 . 2]"
1 103 VAL 173.156 4.629 5 20 [****+****-**********]
1 104 TYR 0.933 0.048 18 0 "[ . 1 . 2]"
1 105 LYS 8.028 0.256 10 0 "[ . 1 . 2]"
1 106 ASP 7.191 0.267 19 0 "[ . 1 . 2]"
1 107 LEU 178.854 4.629 5 20 [****+****-**********]
1 108 TRP 6.646 0.270 15 0 "[ . 1 . 2]"
1 109 ASN 13.001 0.256 10 0 "[ . 1 . 2]"
1 110 ALA 17.087 0.296 4 0 "[ . 1 . 2]"
1 111 LEU 5.698 0.250 15 0 "[ . 1 . 2]"
1 112 ARG 5.713 0.270 15 0 "[ . 1 . 2]"
1 113 LYS 4.973 0.210 8 0 "[ . 1 . 2]"
1 114 GLY 9.896 0.296 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 23 THR O 1 27 ARG H . . 1.800 6.070 5.908 6.474 4.674 10 20 [*********+******-***] 2
2 1 23 THR O 1 27 ARG N . . 2.700 6.917 6.748 7.307 4.607 10 20 [*********+******-***] 2
3 1 24 ASN O 1 28 ASN H . . 1.800 2.060 2.022 2.150 0.350 15 0 "[ . 1 . 2]" 2
4 1 24 ASN O 1 28 ASN N . . 2.700 3.012 2.974 3.095 0.395 15 0 "[ . 1 . 2]" 2
5 1 25 GLU O 1 29 GLU H . . 1.800 2.027 1.860 2.063 0.263 18 0 "[ . 1 . 2]" 2
6 1 25 GLU O 1 29 GLU N . . 2.700 2.877 2.761 2.918 0.218 14 0 "[ . 1 . 2]" 2
7 1 26 LEU O 1 30 VAL H . . 1.800 1.815 1.794 2.054 0.254 10 0 "[ . 1 . 2]" 2
8 1 26 LEU O 1 30 VAL N . . 2.700 2.745 2.733 2.863 0.163 10 0 "[ . 1 . 2]" 2
9 1 27 ARG O 1 31 GLU H . . 1.800 2.077 1.867 2.167 0.367 4 0 "[ . 1 . 2]" 2
10 1 27 ARG O 1 31 GLU N . . 2.700 2.993 2.800 3.033 0.333 4 0 "[ . 1 . 2]" 2
11 1 28 ASN O 1 32 GLU H . . 1.800 2.026 2.004 2.104 0.304 10 0 "[ . 1 . 2]" 2
12 1 28 ASN O 1 32 GLU N . . 2.700 2.917 2.843 3.017 0.317 4 0 "[ . 1 . 2]" 2
13 1 29 GLU O 1 33 THR H . . 1.800 2.080 2.051 2.162 0.362 4 0 "[ . 1 . 2]" 2
14 1 29 GLU O 1 33 THR N . . 2.700 3.037 3.015 3.061 0.361 16 0 "[ . 1 . 2]" 2
15 1 30 VAL O 1 34 ILE H . . 1.800 1.963 1.823 2.098 0.298 15 0 "[ . 1 . 2]" 2
16 1 30 VAL O 1 34 ILE N . . 2.700 2.885 2.736 2.983 0.283 15 0 "[ . 1 . 2]" 2
17 1 31 GLU O 1 35 THR H . . 1.800 1.955 1.800 2.072 0.272 15 0 "[ . 1 . 2]" 2
18 1 31 GLU O 1 35 THR N . . 2.700 2.873 2.746 2.987 0.287 15 0 "[ . 1 . 2]" 2
19 1 32 GLU O 1 36 LEU H . . 1.800 2.045 2.017 2.072 0.272 18 0 "[ . 1 . 2]" 2
20 1 32 GLU O 1 36 LEU N . . 2.700 2.932 2.879 2.983 0.283 15 0 "[ . 1 . 2]" 2
21 1 33 THR O 1 37 MET H . . 1.800 2.002 1.899 2.063 0.263 4 0 "[ . 1 . 2]" 2
22 1 33 THR O 1 37 MET N . . 2.700 2.933 2.847 3.015 0.315 4 0 "[ . 1 . 2]" 2
23 1 34 ILE O 1 38 GLU H . . 1.800 1.858 1.790 2.017 0.217 17 0 "[ . 1 . 2]" 2
24 1 34 ILE O 1 38 GLU N . . 2.700 2.753 2.709 2.905 0.205 17 0 "[ . 1 . 2]" 2
25 1 41 LYS O 1 45 LEU H . . 1.800 5.863 5.079 6.154 4.354 13 20 [*******-****+*******] 2
26 1 41 LYS O 1 45 LEU N . . 2.700 6.580 5.638 6.961 4.261 15 20 [*******-******+*****] 2
27 1 42 VAL O 1 46 LYS H . . 1.800 1.850 1.790 2.032 0.232 20 0 "[ . 1 . 2]" 2
28 1 42 VAL O 1 46 LYS N . . 2.700 2.820 2.746 2.991 0.291 20 0 "[ . 1 . 2]" 2
29 1 43 SER O 1 47 ASP H . . 1.800 2.027 1.918 2.066 0.266 8 0 "[ . 1 . 2]" 2
30 1 43 SER O 1 47 ASP N . . 2.700 2.967 2.859 3.018 0.318 9 0 "[ . 1 . 2]" 2
31 1 44 GLU O 1 48 ILE H . . 1.800 2.017 2.001 2.064 0.264 3 0 "[ . 1 . 2]" 2
32 1 44 GLU O 1 48 ILE N . . 2.700 2.948 2.906 3.016 0.316 3 0 "[ . 1 . 2]" 2
33 1 45 LEU O 1 49 CYS H . . 1.800 1.977 1.788 2.066 0.266 20 0 "[ . 1 . 2]" 2
34 1 45 LEU O 1 49 CYS N . . 2.700 2.944 2.765 3.038 0.338 20 0 "[ . 1 . 2]" 2
35 1 46 LYS O 1 50 ARG H . . 1.800 1.936 1.772 2.018 0.218 9 0 "[ . 1 . 2]" 2
36 1 46 LYS O 1 50 ARG N . . 2.700 2.905 2.742 2.992 0.292 9 0 "[ . 1 . 2]" 2
37 1 47 ASP O 1 51 SER H . . 1.800 2.008 1.923 2.047 0.247 2 0 "[ . 1 . 2]" 2
38 1 47 ASP O 1 51 SER N . . 2.700 2.864 2.793 2.932 0.232 18 0 "[ . 1 . 2]" 2
39 1 48 ILE O 1 52 VAL H . . 1.800 1.978 1.799 2.119 0.319 8 0 "[ . 1 . 2]" 2
40 1 48 ILE O 1 52 VAL N . . 2.700 2.929 2.772 3.001 0.301 12 0 "[ . 1 . 2]" 2
41 1 59 ARG O 1 63 LEU H . . 1.800 5.903 5.774 6.088 4.288 16 20 [***************+**-*] 2
42 1 59 ARG O 1 63 LEU N . . 2.700 6.737 6.600 6.900 4.200 16 20 [****-**********+****] 2
43 1 60 LYS O 1 64 GLN H . . 1.800 2.000 1.887 2.047 0.247 18 0 "[ . 1 . 2]" 2
44 1 60 LYS O 1 64 GLN N . . 2.700 2.961 2.853 3.011 0.311 11 0 "[ . 1 . 2]" 2
45 1 61 ALA O 1 65 ASP H . . 1.800 1.969 1.853 2.019 0.219 2 0 "[ . 1 . 2]" 2
46 1 61 ALA O 1 65 ASP N . . 2.700 2.926 2.821 2.976 0.276 2 0 "[ . 1 . 2]" 2
47 1 62 VAL O 1 66 LEU H . . 1.800 2.074 2.039 2.165 0.365 7 0 "[ . 1 . 2]" 2
48 1 62 VAL O 1 66 LEU N . . 2.700 2.870 2.830 2.947 0.247 7 0 "[ . 1 . 2]" 2
49 1 63 LEU O 1 67 ILE H . . 1.800 2.037 2.007 2.098 0.298 8 0 "[ . 1 . 2]" 2
50 1 63 LEU O 1 67 ILE N . . 2.700 2.934 2.894 3.015 0.315 8 0 "[ . 1 . 2]" 2
51 1 64 GLN O 1 68 ARG H . . 1.800 2.052 2.029 2.095 0.295 20 0 "[ . 1 . 2]" 2
52 1 64 GLN O 1 68 ARG N . . 2.700 3.027 3.000 3.071 0.371 20 0 "[ . 1 . 2]" 2
53 1 65 ASP O 1 69 ASN H . . 1.800 1.982 1.906 2.009 0.209 16 0 "[ . 1 . 2]" 2
54 1 65 ASP O 1 69 ASN N . . 2.700 2.903 2.814 2.942 0.242 11 0 "[ . 1 . 2]" 2
55 1 66 LEU O 1 70 PHE H . . 1.800 2.006 1.903 2.087 0.287 11 0 "[ . 1 . 2]" 2
56 1 66 LEU O 1 70 PHE N . . 2.700 2.943 2.843 2.994 0.294 2 0 "[ . 1 . 2]" 2
57 1 67 ILE O 1 71 LEU H . . 1.800 2.043 2.024 2.067 0.267 20 0 "[ . 1 . 2]" 2
58 1 67 ILE O 1 71 LEU N . . 2.700 2.919 2.865 2.963 0.263 5 0 "[ . 1 . 2]" 2
59 1 68 ARG O 1 72 GLN H . . 1.800 2.042 1.910 2.107 0.307 20 0 "[ . 1 . 2]" 2
60 1 68 ARG O 1 72 GLN N . . 2.700 3.003 2.882 3.051 0.351 18 0 "[ . 1 . 2]" 2
61 1 69 ASN O 1 73 ASN H . . 1.800 2.007 1.945 2.049 0.249 8 0 "[ . 1 . 2]" 2
62 1 69 ASN O 1 73 ASN N . . 2.700 2.928 2.852 3.004 0.304 8 0 "[ . 1 . 2]" 2
63 1 70 PHE O 1 74 ALA H . . 1.800 1.856 1.800 1.973 0.173 16 0 "[ . 1 . 2]" 2
64 1 70 PHE O 1 74 ALA N . . 2.700 2.722 2.694 2.782 0.082 18 0 "[ . 1 . 2]" 2
65 1 82 PRO O 1 86 GLN H . . 1.800 3.104 2.708 3.574 1.774 4 20 [***+*************-**] 2
66 1 82 PRO O 1 86 GLN N . . 2.700 4.008 3.620 4.497 1.797 4 20 [***+*************-**] 2
67 1 83 TYR O 1 87 ALA H . . 1.800 2.006 1.866 2.055 0.255 15 0 "[ . 1 . 2]" 2
68 1 83 TYR O 1 87 ALA N . . 2.700 2.967 2.833 3.012 0.312 15 0 "[ . 1 . 2]" 2
69 1 84 ARG O 1 88 VAL H . . 1.800 2.025 1.823 2.063 0.263 20 0 "[ . 1 . 2]" 2
70 1 84 ARG O 1 88 VAL N . . 2.700 2.951 2.768 3.018 0.318 14 0 "[ . 1 . 2]" 2
71 1 85 VAL O 1 89 LYS H . . 1.800 1.890 1.796 2.015 0.215 7 0 "[ . 1 . 2]" 2
72 1 85 VAL O 1 89 LYS N . . 2.700 2.840 2.739 2.959 0.259 7 0 "[ . 1 . 2]" 2
73 1 86 GLN O 1 90 PHE H . . 1.800 1.941 1.797 2.019 0.219 17 0 "[ . 1 . 2]" 2
74 1 86 GLN O 1 90 PHE N . . 2.700 2.900 2.765 2.994 0.294 17 0 "[ . 1 . 2]" 2
75 1 87 ALA O 1 91 LEU H . . 1.800 2.021 1.890 2.049 0.249 17 0 "[ . 1 . 2]" 2
76 1 87 ALA O 1 91 LEU N . . 2.700 2.945 2.752 2.994 0.294 10 0 "[ . 1 . 2]" 2
77 1 88 VAL O 1 92 ILE H . . 1.800 2.063 2.027 2.111 0.311 15 0 "[ . 1 . 2]" 2
78 1 88 VAL O 1 92 ILE N . . 2.700 3.007 2.940 3.055 0.355 20 0 "[ . 1 . 2]" 2
79 1 89 LYS O 1 93 GLU H . . 1.800 1.890 1.795 2.010 0.210 9 0 "[ . 1 . 2]" 2
80 1 89 LYS O 1 93 GLU N . . 2.700 2.866 2.773 2.980 0.280 9 0 "[ . 1 . 2]" 2
81 1 90 PHE O 1 94 ARG H . . 1.800 2.026 1.893 2.109 0.309 20 0 "[ . 1 . 2]" 2
82 1 90 PHE O 1 94 ARG N . . 2.700 2.971 2.821 3.011 0.311 17 0 "[ . 1 . 2]" 2
83 1 91 LEU O 1 95 ILE H . . 1.800 1.890 1.794 2.068 0.268 20 0 "[ . 1 . 2]" 2
84 1 91 LEU O 1 95 ILE N . . 2.700 2.844 2.734 3.033 0.333 20 0 "[ . 1 . 2]" 2
85 1 92 ILE O 1 96 ARG H . . 1.800 2.071 2.040 2.162 0.362 20 0 "[ . 1 . 2]" 2
86 1 92 ILE O 1 96 ARG N . . 2.700 2.992 2.900 3.051 0.351 20 0 "[ . 1 . 2]" 2
87 1 93 GLU O 1 97 LYS H . . 1.800 1.951 1.795 2.045 0.245 18 0 "[ . 1 . 2]" 2
88 1 93 GLU O 1 97 LYS N . . 2.700 2.847 2.735 3.006 0.306 18 0 "[ . 1 . 2]" 2
89 1 94 ARG O 1 98 ASN H . . 1.800 2.093 2.060 2.151 0.351 8 0 "[ . 1 . 2]" 2
90 1 94 ARG O 1 98 ASN N . . 2.700 2.737 2.712 2.821 0.121 20 0 "[ . 1 . 2]" 2
91 1 103 VAL O 1 107 LEU H . . 1.800 6.283 6.205 6.429 4.629 5 20 [****+**********-****] 2
92 1 103 VAL O 1 107 LEU N . . 2.700 6.875 6.791 7.019 4.319 5 20 [****+****-**********] 2
93 1 104 TYR O 1 108 TRP H . . 1.800 1.807 1.777 1.831 0.031 1 0 "[ . 1 . 2]" 2
94 1 104 TYR O 1 108 TRP N . . 2.700 2.736 2.712 2.748 0.048 18 0 "[ . 1 . 2]" 2
95 1 105 LYS O 1 109 ASN H . . 1.800 2.001 1.831 2.043 0.243 10 0 "[ . 1 . 2]" 2
96 1 105 LYS O 1 109 ASN N . . 2.700 2.900 2.749 2.956 0.256 10 0 "[ . 1 . 2]" 2
97 1 106 ASP O 1 110 ALA H . . 1.800 1.953 1.881 2.007 0.207 15 0 "[ . 1 . 2]" 2
98 1 106 ASP O 1 110 ALA N . . 2.700 2.906 2.826 2.967 0.267 19 0 "[ . 1 . 2]" 2
99 1 107 LEU O 1 111 LEU H . . 1.800 1.934 1.797 2.017 0.217 15 0 "[ . 1 . 2]" 2
100 1 107 LEU O 1 111 LEU N . . 2.700 2.851 2.739 2.950 0.250 15 0 "[ . 1 . 2]" 2
101 1 108 TRP O 1 112 ARG H . . 1.800 1.910 1.791 2.009 0.209 15 0 "[ . 1 . 2]" 2
102 1 108 TRP O 1 112 ARG N . . 2.700 2.874 2.759 2.970 0.270 15 0 "[ . 1 . 2]" 2
103 1 109 ASN O 1 113 LYS H . . 1.800 1.970 1.915 2.010 0.210 8 0 "[ . 1 . 2]" 2
104 1 109 ASN O 1 113 LYS N . . 2.700 2.779 2.748 2.821 0.121 4 0 "[ . 1 . 2]" 2
105 1 110 ALA O 1 114 GLY H . . 1.800 2.009 2.001 2.021 0.221 4 0 "[ . 1 . 2]" 2
106 1 110 ALA O 1 114 GLY N . . 2.700 2.986 2.978 2.996 0.296 4 0 "[ . 1 . 2]" 2
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