NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
374347 |
1eci   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1eci
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 630
_Distance_constraint_stats_list.Viol_count 2900
_Distance_constraint_stats_list.Viol_total 22062.744
_Distance_constraint_stats_list.Viol_max 2.763
_Distance_constraint_stats_list.Viol_rms 0.2343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0876
_Distance_constraint_stats_list.Viol_average_violations_only 0.3804
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 14.088 0.839 8 20 [***-***+************]
1 3 ILE 134.162 2.361 10 20 [*********+*******-**]
1 4 PRO 53.887 1.320 17 20 [*****-**********+***]
1 5 LYS 15.553 0.857 18 20 [****-************+**]
1 6 LYS 8.175 0.620 14 7 "[* .* 1 +.***-2]"
1 7 ILE 64.582 1.052 7 20 [******+-************]
1 8 TRP 67.175 2.361 10 20 [*********+**-*******]
1 9 GLU 1.433 0.297 4 0 "[ . 1 . 2]"
1 10 THR 22.555 1.334 3 18 "[* +***** *-*********]"
1 11 VAL 53.916 1.317 4 20 [***+*****-**********]
1 12 CYS 27.299 1.444 13 10 "[ **** * * +*- *]"
1 13 PRO 21.589 0.488 7 0 "[ . 1 . 2]"
1 14 THR 15.155 1.553 4 4 "[ +. 1 *** 2]"
1 15 VAL 8.890 0.925 13 4 "[ -. * +*. 2]"
1 16 GLU 18.395 1.444 13 10 "[ **** * * +*- *]"
1 17 PRO 24.595 0.760 4 20 [***+*****-**********]
1 18 TRP 34.405 1.392 4 14 "[***+. * *** *-* ***]"
1 19 ALA 1.017 0.343 17 0 "[ . 1 . 2]"
1 20 LYS 12.514 0.729 19 12 "[ ** * * * **-* *+*]"
1 21 LYS 28.769 0.798 19 19 "[***** ********-***+*]"
1 22 CYS 39.682 1.168 1 19 "[+**-* **************]"
1 23 SER 3.404 0.292 13 0 "[ . 1 . 2]"
1 24 GLY 5.485 0.902 8 5 "[ *. *+ * - . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 26.736 1.285 4 20 [***+*************-**]
1 27 ALA 3.460 0.508 4 1 "[ +. 1 . 2]"
1 28 THR 26.249 2.763 9 11 "[ ** * *+1 ***.- **2]"
1 29 TYR 45.314 1.256 4 20 [***+-***************]
1 30 ILE 73.192 1.482 14 20 [***-*********+******]
1 31 LYS 66.223 2.763 9 20 [********+***********]
1 32 ARG 33.277 1.150 3 20 [**+*******-*********]
1 33 GLU 35.771 1.157 16 18 "[***** ***** ***+**-*]"
1 34 CYS 57.162 1.414 11 20 [**********+-********]
1 35 GLY 27.847 1.414 11 20 [****-*****+*********]
1 36 LYS 12.164 1.157 16 6 "[* * * * 1 .+ -]"
1 37 LEU 35.010 0.933 13 16 "[ ** ** ****+******-]"
2 1 TRP 32.082 1.662 17 12 "[** ** * 1 - ***+**2]"
2 2 SER 8.194 0.712 17 2 "[ . 1 - + 2]"
2 3 THR 8.327 0.741 6 6 "[ * .+* -1 * * 2]"
2 4 ILE 6.296 0.215 17 0 "[ . 1 . 2]"
2 5 VAL 37.152 1.334 3 18 "[* +***** *-*********]"
2 6 LYS 5.213 0.437 1 0 "[ . 1 . 2]"
2 7 LEU 12.882 0.741 6 6 "[ * .+* -1 * * 2]"
2 8 THR 14.801 1.043 15 16 "[** ****-*1* **+*** *]"
2 9 ILE 66.745 1.662 17 20 [*********-******+***]
2 10 CYS 18.348 0.975 9 6 "[ *. +1* * . **2]"
2 11 PRO 3.520 0.181 6 0 "[ . 1 . 2]"
2 12 THR 40.111 1.482 14 20 [****-********+******]
2 13 LEU 46.575 1.124 2 20 [*+******-***********]
2 14 LYS 12.993 0.831 13 2 "[ *. 1 + . 2]"
2 15 SER 0.061 0.017 8 0 "[ . 1 . 2]"
2 16 MET 33.676 1.285 4 20 [***+*************-**]
2 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 LYS 13.134 0.435 18 0 "[ . 1 . 2]"
2 19 LYS 35.294 0.902 8 18 "[*******+*** **-** **]"
2 20 CYS 53.792 1.168 1 20 [+-******************]
2 21 GLU 53.008 1.165 15 20 [*-************+*****]
2 22 GLY 16.071 1.165 15 8 "[ .* 1 *-+* ***]"
2 23 SER 0.021 0.021 4 0 "[ . 1 . 2]"
2 24 ILE 45.780 1.185 13 20 [************+-******]
2 25 ALA 12.389 0.534 17 1 "[ . 1 . + 2]"
2 26 THR 19.781 0.593 16 2 "[ . 1 .+- 2]"
2 27 MET 17.917 0.644 11 7 "[ . * -1+ **** 2]"
2 28 ILE 11.688 1.392 4 9 "[ *+* ** *- * * 2]"
2 29 LYS 14.187 2.185 9 9 "[* .** +1 ***.* -]"
2 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 LYS 27.230 0.937 4 12 "[ **+. ** ** *.** *-]"
2 32 CYS 9.085 0.975 9 4 "[ . +1- . **2]"
2 33 ASP 11.437 2.185 9 8 "[* .** +1 ***. -]"
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 VAL H 1 2 VAL HB . . 2.640 2.486 2.419 2.518 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 VAL H . 2.070 2.830 2.367 2.244 2.481 . 0 0 "[ . 1 . 2]" 1
3 1 3 ILE H 1 3 ILE HB . . 2.840 2.678 2.293 2.810 . 0 0 "[ . 1 . 2]" 1
4 1 3 ILE HA 1 3 ILE HG12 . . 3.940 2.520 2.472 2.562 . 0 0 "[ . 1 . 2]" 1
5 1 3 ILE H 1 3 ILE HG12 . 2.540 5.050 4.095 3.744 4.297 . 0 0 "[ . 1 . 2]" 1
6 1 3 ILE HA 1 3 ILE HG13 . . 2.670 3.070 2.963 3.171 0.501 18 1 "[ . 1 . + 2]" 1
7 1 3 ILE H 1 3 ILE HG13 . 2.170 4.030 3.088 2.565 3.336 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL HB 1 3 ILE H . 2.130 3.130 3.834 3.798 3.969 0.839 8 20 [***-***+************] 1
9 1 3 ILE HB 1 3 ILE MD . 2.550 4.370 2.500 2.468 2.532 0.082 19 0 "[ . 1 . 2]" 1
10 1 3 ILE H 1 3 ILE MD . 3.150 7.040 4.276 3.781 4.423 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE MD 1 3 ILE MG . 2.930 3.810 1.965 1.944 1.987 0.986 9 20 [********+****-******] 1
12 1 3 ILE HA 1 3 ILE MG . 2.800 4.560 2.523 2.392 2.603 0.408 18 0 "[ . 1 . 2]" 1
13 1 3 ILE HG12 1 3 ILE MG . 2.790 4.500 2.512 2.467 2.554 0.323 19 0 "[ . 1 . 2]" 1
14 1 3 ILE HG13 1 3 ILE MG . 2.980 5.220 3.252 3.248 3.257 . 0 0 "[ . 1 . 2]" 1
15 1 3 ILE MG 1 4 PRO QD . 3.240 5.720 2.056 1.920 2.623 1.320 17 20 [****************+-**] 1
16 1 4 PRO QD 1 4 PRO QG . 2.250 3.930 2.015 2.011 2.017 0.239 19 0 "[ . 1 . 2]" 1
17 1 4 PRO HA 1 4 PRO QG . 2.040 3.010 3.516 3.510 3.520 0.510 12 20 [*****-*****+********] 1
18 1 4 PRO HA 1 4 PRO QB . 2.290 3.040 2.230 2.226 2.233 0.064 8 0 "[ . 1 . 2]" 1
19 1 5 LYS H 1 5 LYS HB2 . . 2.920 2.445 2.344 2.523 . 0 0 "[ . 1 . 2]" 1
20 1 5 LYS H 1 5 LYS HB3 . . 2.490 2.538 2.481 2.625 0.135 5 0 "[ . 1 . 2]" 1
21 1 5 LYS HA 1 5 LYS HG3 . . 2.900 2.596 2.495 2.665 . 0 0 "[ . 1 . 2]" 1
22 1 5 LYS H 1 5 LYS HG3 . 2.030 5.040 4.436 4.361 4.490 . 0 0 "[ . 1 . 2]" 1
23 1 4 PRO HA 1 5 LYS H . . 2.360 2.368 2.321 2.451 0.091 18 0 "[ . 1 . 2]" 1
24 1 4 PRO QB 1 5 LYS H . 3.150 5.430 2.457 2.293 2.574 0.857 18 20 [****-************+**] 1
25 1 6 LYS H 1 6 LYS QB . 2.090 2.930 2.203 2.137 2.252 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS HA 1 6 LYS QD . . 3.470 2.736 2.044 4.063 0.593 16 1 "[ . 1 .+ 2]" 1
27 1 6 LYS H 1 6 LYS QD . 3.140 6.260 4.485 4.179 4.765 . 0 0 "[ . 1 . 2]" 1
28 1 6 LYS QE 1 6 LYS QG . 2.790 4.600 2.426 2.170 2.894 0.620 14 6 "[* .* 1 +. **-2]" 1
29 1 6 LYS HA 1 6 LYS QG . . 3.560 2.745 2.447 3.103 . 0 0 "[ . 1 . 2]" 1
30 1 6 LYS H 1 6 LYS QG . 3.090 5.120 4.003 3.867 4.081 . 0 0 "[ . 1 . 2]" 1
31 1 7 ILE H 1 7 ILE HG12 . . 3.950 2.201 2.016 2.289 . 0 0 "[ . 1 . 2]" 1
32 1 3 ILE MG 1 7 ILE HG13 . 2.410 5.570 2.902 2.430 3.308 . 0 0 "[ . 1 . 2]" 1
33 1 4 PRO QD 1 7 ILE HG13 . . 4.980 2.346 2.178 2.610 . 0 0 "[ . 1 . 2]" 1
34 1 7 ILE HA 1 7 ILE HG13 . . 4.470 3.756 3.736 3.801 . 0 0 "[ . 1 . 2]" 1
35 1 7 ILE H 1 7 ILE HG13 . . 4.430 3.607 3.513 3.666 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE MG 1 7 ILE H . 2.850 7.970 3.879 3.734 4.146 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS H 1 7 ILE H . . 4.110 2.929 2.853 3.005 . 0 0 "[ . 1 . 2]" 1
38 1 7 ILE HA 1 7 ILE MD . . 3.450 2.069 2.044 2.127 . 0 0 "[ . 1 . 2]" 1
39 1 7 ILE MD 1 7 ILE MG . 2.610 4.070 2.078 2.037 2.110 0.573 4 19 "[***+*** ***-********]" 1
40 1 3 ILE MG 1 7 ILE MG . 2.920 4.080 1.935 1.886 1.994 1.034 8 20 [*******+********-***] 1
41 1 7 ILE HA 1 7 ILE MG . . 3.770 2.544 2.488 2.580 . 0 0 "[ . 1 . 2]" 1
42 1 7 ILE HG12 1 7 ILE MG . 2.700 5.360 3.249 3.245 3.256 . 0 0 "[ . 1 . 2]" 1
43 1 7 ILE HG13 1 7 ILE MG . . 3.860 2.388 2.363 2.429 . 0 0 "[ . 1 . 2]" 1
44 1 7 ILE H 1 7 ILE MG . 2.700 5.660 3.790 3.779 3.802 . 0 0 "[ . 1 . 2]" 1
45 1 8 TRP H 1 8 TRP HA . 2.450 4.180 2.802 2.789 2.821 . 0 0 "[ . 1 . 2]" 1
46 1 5 LYS HA 1 8 TRP HB2 . 2.040 3.180 2.845 2.524 3.367 0.187 9 0 "[ . 1 . 2]" 1
47 1 8 TRP H 1 8 TRP HB2 . 2.080 3.610 2.447 2.352 2.527 . 0 0 "[ . 1 . 2]" 1
48 1 8 TRP H 1 8 TRP HB3 . 2.380 3.780 3.622 3.601 3.647 . 0 0 "[ . 1 . 2]" 1
49 1 3 ILE HB 1 8 TRP HD1 . . 3.100 4.591 4.152 5.461 2.361 10 20 [*********+******-***] 1
50 1 3 ILE MG 1 8 TRP HD1 . 3.150 5.890 3.386 3.005 3.962 0.145 5 0 "[ . 1 . 2]" 1
51 1 5 LYS H 1 8 TRP HD1 . 2.170 4.270 4.014 3.816 4.187 . 0 0 "[ . 1 . 2]" 1
52 1 8 TRP HB2 1 8 TRP HD1 . . 2.910 2.683 2.665 2.705 . 0 0 "[ . 1 . 2]" 1
53 1 3 ILE HB 1 8 TRP HE1 . . 3.710 2.687 2.208 3.687 . 0 0 "[ . 1 . 2]" 1
54 1 3 ILE H 1 8 TRP HE1 . . 4.370 3.680 3.102 4.376 0.006 18 0 "[ . 1 . 2]" 1
55 1 3 ILE MG 1 8 TRP HE1 . 2.610 6.390 3.028 2.530 3.528 0.080 12 0 "[ . 1 . 2]" 1
56 1 8 TRP HA 1 8 TRP HE3 . 2.250 2.650 2.068 1.832 2.495 0.418 10 0 "[ . 1 . 2]" 1
57 1 8 TRP HB3 1 8 TRP HE3 . 2.580 3.550 3.026 2.738 3.322 . 0 0 "[ . 1 . 2]" 1
58 1 3 ILE MG 1 8 TRP H . 2.790 5.710 3.023 2.761 3.218 0.029 17 0 "[ . 1 . 2]" 1
59 1 5 LYS HA 1 8 TRP H . 2.270 4.250 3.729 3.543 3.920 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE HB 1 8 TRP H . . 3.370 2.610 2.471 2.759 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE H 1 8 TRP H . . 3.690 2.820 2.779 2.892 . 0 0 "[ . 1 . 2]" 1
62 1 7 ILE MG 1 8 TRP H . 3.370 6.800 3.255 3.121 3.356 0.249 2 0 "[ . 1 . 2]" 1
63 1 3 ILE MD 1 8 TRP HZ2 . 2.230 3.910 2.689 2.370 3.439 . 0 0 "[ . 1 . 2]" 1
64 1 3 ILE MG 1 8 TRP HZ2 . 2.890 7.800 3.418 3.225 3.814 . 0 0 "[ . 1 . 2]" 1
65 1 9 GLU H 1 9 GLU HB2 . . 3.570 2.445 2.226 2.726 . 0 0 "[ . 1 . 2]" 1
66 1 9 GLU HA 1 9 GLU HB3 . . 3.090 2.530 2.403 2.671 . 0 0 "[ . 1 . 2]" 1
67 1 9 GLU H 1 9 GLU HB3 . 2.110 4.840 3.596 3.528 3.650 . 0 0 "[ . 1 . 2]" 1
68 1 9 GLU HA 1 9 GLU HG2 . . 3.640 3.106 2.574 3.676 0.036 8 0 "[ . 1 . 2]" 1
69 1 9 GLU H 1 9 GLU HG3 . . 3.730 3.107 2.171 4.027 0.297 4 0 "[ . 1 . 2]" 1
70 1 5 LYS HG2 1 9 GLU H . 2.160 5.040 4.517 4.315 4.858 . 0 0 "[ . 1 . 2]" 1
71 1 6 LYS HA 1 9 GLU H . . 5.260 3.822 3.603 4.170 . 0 0 "[ . 1 . 2]" 1
72 1 6 LYS QG 1 9 GLU H . 2.930 6.350 5.509 5.063 6.059 . 0 0 "[ . 1 . 2]" 1
73 1 8 TRP HB2 1 9 GLU H . . 3.340 2.660 2.369 2.779 . 0 0 "[ . 1 . 2]" 1
74 1 8 TRP HB3 1 9 GLU H . 2.490 3.850 3.482 3.057 3.616 . 0 0 "[ . 1 . 2]" 1
75 1 8 TRP H 1 9 GLU H . . 3.400 2.847 2.795 2.983 . 0 0 "[ . 1 . 2]" 1
76 1 10 THR H 1 10 THR HB . . 3.820 2.493 2.405 2.571 . 0 0 "[ . 1 . 2]" 1
77 1 7 ILE HA 1 10 THR H . . 5.900 3.427 3.222 3.734 . 0 0 "[ . 1 . 2]" 1
78 1 9 GLU HB2 1 10 THR H . . 4.120 2.669 2.415 3.017 . 0 0 "[ . 1 . 2]" 1
79 1 9 GLU HB3 1 10 THR H . 2.560 5.600 3.579 3.423 3.881 . 0 0 "[ . 1 . 2]" 1
80 1 9 GLU H 1 10 THR H . . 4.050 2.667 2.570 2.741 . 0 0 "[ . 1 . 2]" 1
81 1 11 VAL H 1 11 VAL HB . 2.090 5.180 3.650 3.633 3.670 . 0 0 "[ . 1 . 2]" 1
82 1 8 TRP HA 1 11 VAL H . 2.680 5.510 3.712 3.631 3.879 . 0 0 "[ . 1 . 2]" 1
83 1 10 THR HB 1 11 VAL H . . 4.300 2.490 2.325 2.690 . 0 0 "[ . 1 . 2]" 1
84 1 10 THR H 1 11 VAL H . . 4.050 2.724 2.666 2.811 . 0 0 "[ . 1 . 2]" 1
85 1 7 ILE MG 1 11 VAL QG . 3.200 6.860 2.351 2.148 2.692 1.052 7 20 [******+-************] 1
86 1 10 THR MG 1 11 VAL QG . 3.010 5.530 3.152 2.753 3.412 0.257 8 0 "[ . 1 . 2]" 1
87 1 11 VAL HA 1 11 VAL QG . . 3.770 2.329 2.292 2.353 . 0 0 "[ . 1 . 2]" 1
88 1 11 VAL H 1 11 VAL QG . . 3.610 1.966 1.942 1.997 0.058 16 0 "[ . 1 . 2]" 1
89 1 8 TRP HA 1 11 VAL QG . 2.300 3.330 2.031 1.920 2.249 0.380 5 0 "[ . 1 . 2]" 1
90 1 8 TRP HE3 1 11 VAL QG . 2.250 3.140 2.390 2.095 2.796 0.155 18 0 "[ . 1 . 2]" 1
91 1 8 TRP HH2 1 11 VAL QG . 2.260 5.480 4.802 4.537 5.244 . 0 0 "[ . 1 . 2]" 1
92 1 8 TRP HZ3 1 11 VAL QG . 2.830 7.630 3.107 2.699 3.651 0.131 18 0 "[ . 1 . 2]" 1
93 1 11 VAL QG 1 12 CYS HA . 2.680 4.790 3.111 2.819 3.752 . 0 0 "[ . 1 . 2]" 1
94 1 12 CYS H 1 12 CYS HA . 2.510 3.780 2.651 2.580 2.821 . 0 0 "[ . 1 . 2]" 1
95 1 12 CYS H 1 12 CYS HB2 . . 3.170 2.439 2.117 2.554 . 0 0 "[ . 1 . 2]" 1
96 1 12 CYS HA 1 12 CYS HB3 . 2.220 3.510 2.704 2.578 3.036 . 0 0 "[ . 1 . 2]" 1
97 1 12 CYS H 1 12 CYS HB3 . 2.360 5.380 3.543 2.539 3.676 . 0 0 "[ . 1 . 2]" 1
98 1 11 VAL HA 1 12 CYS H . 2.410 5.150 3.435 3.000 3.497 . 0 0 "[ . 1 . 2]" 1
99 1 11 VAL H 1 12 CYS H . . 2.880 2.581 2.528 2.956 0.076 8 0 "[ . 1 . 2]" 1
100 1 11 VAL QG 1 12 CYS H . 2.290 4.350 2.533 2.305 3.491 . 0 0 "[ . 1 . 2]" 1
101 1 13 PRO HA 1 13 PRO HB3 . . 2.760 2.328 2.313 2.341 . 0 0 "[ . 1 . 2]" 1
102 1 12 CYS HB2 1 13 PRO HD2 . 2.710 4.610 2.615 2.418 3.721 0.292 6 0 "[ . 1 . 2]" 1
103 1 12 CYS H 1 13 PRO HD2 . 2.330 3.740 2.739 2.224 2.972 0.106 8 0 "[ . 1 . 2]" 1
104 1 13 PRO HA 1 13 PRO HD2 . 2.550 4.940 4.098 4.081 4.109 . 0 0 "[ . 1 . 2]" 1
105 1 13 PRO HB2 1 13 PRO HD2 . 2.610 3.920 4.143 4.133 4.147 0.227 17 0 "[ . 1 . 2]" 1
106 1 13 PRO HD2 1 13 PRO HG2 . 2.430 3.480 2.379 2.365 2.387 0.065 8 0 "[ . 1 . 2]" 1
107 1 13 PRO HD2 1 13 PRO HG3 . 2.810 4.090 2.693 2.675 2.700 0.135 17 0 "[ . 1 . 2]" 1
108 1 12 CYS H 1 13 PRO HD3 . 2.060 3.510 3.829 3.415 3.998 0.488 7 0 "[ . 1 . 2]" 1
109 1 13 PRO HA 1 13 PRO HD3 . . 3.560 3.475 3.371 3.535 . 0 0 "[ . 1 . 2]" 1
110 1 13 PRO HB3 1 13 PRO HD3 . . 3.260 2.779 2.756 2.810 . 0 0 "[ . 1 . 2]" 1
111 1 13 PRO HD3 1 13 PRO HG2 . . 2.880 3.052 3.048 3.061 0.181 17 0 "[ . 1 . 2]" 1
112 1 13 PRO HD3 1 13 PRO HG3 . 2.150 3.110 2.378 2.367 2.396 . 0 0 "[ . 1 . 2]" 1
113 1 13 PRO HB2 1 13 PRO HG2 . 2.140 2.870 2.397 2.391 2.401 . 0 0 "[ . 1 . 2]" 1
114 1 13 PRO HB3 1 13 PRO HG3 . 2.330 3.370 2.387 2.382 2.392 . 0 0 "[ . 1 . 2]" 1
115 1 11 VAL HA 1 14 THR HB . . 5.760 2.997 2.026 3.418 . 0 0 "[ . 1 . 2]" 1
116 1 14 THR H 1 14 THR HB . . 3.950 2.550 2.465 2.671 . 0 0 "[ . 1 . 2]" 1
117 1 11 VAL HA 1 14 THR H . 2.240 6.730 3.768 3.142 4.095 . 0 0 "[ . 1 . 2]" 1
118 1 13 PRO HB3 1 14 THR H . 2.380 5.830 3.997 3.932 4.126 . 0 0 "[ . 1 . 2]" 1
119 1 13 PRO HB2 1 14 THR H . 2.190 3.770 3.115 3.014 3.365 . 0 0 "[ . 1 . 2]" 1
120 1 13 PRO HD3 1 14 THR H . 2.100 4.330 3.930 3.831 4.035 . 0 0 "[ . 1 . 2]" 1
121 1 13 PRO HG2 1 14 THR H . . 3.660 1.977 1.866 2.169 . 0 0 "[ . 1 . 2]" 1
122 1 14 THR HA 1 14 THR MG . 2.540 3.400 2.432 2.348 2.486 0.192 6 0 "[ . 1 . 2]" 1
123 1 14 THR H 1 14 THR MG . 2.330 4.390 3.770 3.759 3.785 . 0 0 "[ . 1 . 2]" 1
124 1 14 THR MG 1 15 VAL HA . 2.720 6.030 3.594 3.360 3.885 . 0 0 "[ . 1 . 2]" 1
125 1 11 VAL QG 1 15 VAL HB . 2.050 6.500 4.397 4.096 4.857 . 0 0 "[ . 1 . 2]" 1
126 1 12 CYS HA 1 15 VAL H . 2.410 4.180 4.294 3.883 4.689 0.509 4 1 "[ +. 1 . 2]" 1
127 1 14 THR HB 1 15 VAL H . . 4.150 2.322 1.919 2.476 . 0 0 "[ . 1 . 2]" 1
128 1 14 THR H 1 15 VAL H . . 3.440 2.807 2.702 3.157 . 0 0 "[ . 1 . 2]" 1
129 1 14 THR MG 1 15 VAL H . 3.240 6.820 3.326 2.740 3.528 0.500 4 1 "[ +. 1 . 2]" 1
130 1 14 THR H 1 15 VAL MG1 . 2.590 7.200 4.370 4.168 5.024 . 0 0 "[ . 1 . 2]" 1
131 1 14 THR MG 1 15 VAL MG1 . 3.250 6.740 3.109 2.325 3.486 0.925 13 3 "[ *. 1 +-. 2]" 1
132 1 15 VAL H 1 15 VAL MG1 . 2.170 4.930 2.242 2.155 2.397 0.015 8 0 "[ . 1 . 2]" 1
133 1 16 GLU H 1 16 GLU HB2 . . 3.210 2.472 2.409 2.605 . 0 0 "[ . 1 . 2]" 1
134 1 16 GLU H 1 16 GLU HB3 . . 3.540 2.581 2.497 2.669 . 0 0 "[ . 1 . 2]" 1
135 1 12 CYS HA 1 16 GLU H . 2.260 3.910 4.547 4.176 5.354 1.444 13 10 "[ **** * * +*- *]" 1
136 1 14 THR H 1 16 GLU H . . 5.110 3.949 3.707 4.092 . 0 0 "[ . 1 . 2]" 1
137 1 15 VAL HA 1 16 GLU H . 2.440 7.270 3.335 2.801 3.474 . 0 0 "[ . 1 . 2]" 1
138 1 15 VAL H 1 16 GLU H . . 4.690 2.635 2.497 3.136 . 0 0 "[ . 1 . 2]" 1
139 1 16 GLU HB3 1 16 GLU QG . 2.070 3.400 2.395 2.356 2.422 . 0 0 "[ . 1 . 2]" 1
140 1 16 GLU H 1 16 GLU QG . . 5.700 4.023 3.991 4.076 . 0 0 "[ . 1 . 2]" 1
141 1 16 GLU HB3 1 17 PRO HD3 . . 2.740 2.091 1.907 2.237 . 0 0 "[ . 1 . 2]" 1
142 1 16 GLU H 1 17 PRO HD3 . . 3.270 3.536 3.045 3.736 0.466 7 0 "[ . 1 . 2]" 1
143 1 17 PRO HD3 1 17 PRO QG . . 3.070 2.306 2.272 2.322 . 0 0 "[ . 1 . 2]" 1
144 1 16 GLU HB3 1 17 PRO HD2 . . 3.180 2.586 2.467 2.812 . 0 0 "[ . 1 . 2]" 1
145 1 16 GLU H 1 17 PRO HD2 . . 3.050 2.376 2.075 2.582 . 0 0 "[ . 1 . 2]" 1
146 1 17 PRO HA 1 17 PRO HD2 . 2.400 4.780 4.083 4.056 4.108 . 0 0 "[ . 1 . 2]" 1
147 1 17 PRO HB2 1 17 PRO HD2 . 2.660 4.450 4.143 4.118 4.150 . 0 0 "[ . 1 . 2]" 1
148 1 17 PRO HD2 1 17 PRO QG . 2.040 3.230 2.228 2.218 2.234 . 0 0 "[ . 1 . 2]" 1
149 1 17 PRO HA 1 17 PRO QG . . 2.770 3.516 3.507 3.530 0.760 4 20 [***+**-*************] 1
150 1 18 TRP HA 1 18 TRP HB2 . 2.280 5.740 3.048 3.043 3.051 . 0 0 "[ . 1 . 2]" 1
151 1 18 TRP H 1 18 TRP HB2 . . 3.270 2.644 2.596 2.718 . 0 0 "[ . 1 . 2]" 1
152 1 18 TRP H 1 18 TRP HB3 . 2.050 4.340 3.645 3.617 3.669 . 0 0 "[ . 1 . 2]" 1
153 1 17 PRO HB2 1 18 TRP HD1 . 2.390 5.760 3.819 3.375 4.206 . 0 0 "[ . 1 . 2]" 1
154 1 17 PRO QG 1 18 TRP HD1 . . 5.350 3.802 3.095 4.305 . 0 0 "[ . 1 . 2]" 1
155 1 18 TRP HB2 1 18 TRP HD1 . 2.620 6.860 3.998 3.964 4.018 . 0 0 "[ . 1 . 2]" 1
156 1 18 TRP H 1 18 TRP HD1 . . 5.110 3.649 3.211 3.887 . 0 0 "[ . 1 . 2]" 1
157 1 14 THR MG 1 18 TRP HE1 . 3.020 7.790 6.002 5.507 7.202 . 0 0 "[ . 1 . 2]" 1
158 1 17 PRO HB2 1 18 TRP HE1 . 2.150 6.360 4.569 4.199 5.046 . 0 0 "[ . 1 . 2]" 1
159 1 17 PRO QG 1 18 TRP HE1 . 2.290 6.250 3.871 3.225 4.380 . 0 0 "[ . 1 . 2]" 1
160 1 15 VAL HA 1 18 TRP HE3 . . 4.480 2.045 1.933 2.292 . 0 0 "[ . 1 . 2]" 1
161 1 15 VAL HB 1 18 TRP HE3 . . 4.340 3.416 2.914 3.974 . 0 0 "[ . 1 . 2]" 1
162 1 18 TRP HB2 1 18 TRP HE3 . . 4.110 2.403 2.345 2.485 . 0 0 "[ . 1 . 2]" 1
163 1 14 THR MG 1 18 TRP HH2 . 2.590 5.970 2.470 2.051 3.446 0.539 15 1 "[ . 1 + 2]" 1
164 1 15 VAL MG1 1 18 TRP HH2 . 2.020 4.870 4.758 4.411 5.442 0.572 10 1 "[ . + . 2]" 1
165 1 15 VAL HA 1 18 TRP H . 2.270 5.580 3.773 3.243 4.079 . 0 0 "[ . 1 . 2]" 1
166 1 17 PRO HA 1 18 TRP H . 2.130 4.260 3.561 3.539 3.602 . 0 0 "[ . 1 . 2]" 1
167 1 17 PRO HB2 1 18 TRP H . 2.290 4.390 3.082 2.943 3.200 . 0 0 "[ . 1 . 2]" 1
168 1 17 PRO HB3 1 18 TRP H . 2.230 4.290 4.013 3.951 4.064 . 0 0 "[ . 1 . 2]" 1
169 1 17 PRO HD3 1 18 TRP H . 2.340 5.690 4.001 3.779 4.126 . 0 0 "[ . 1 . 2]" 1
170 1 17 PRO HD2 1 18 TRP H . 2.240 4.570 3.012 2.617 3.227 . 0 0 "[ . 1 . 2]" 1
171 1 17 PRO QG 1 18 TRP H . 2.100 4.810 2.011 1.896 2.133 0.204 4 0 "[ . 1 . 2]" 1
172 1 15 VAL HA 1 18 TRP HZ3 . . 4.110 2.957 2.469 3.708 . 0 0 "[ . 1 . 2]" 1
173 1 15 VAL HA 1 19 ALA H . 2.370 6.360 4.061 3.353 4.609 . 0 0 "[ . 1 . 2]" 1
174 1 16 GLU HA 1 19 ALA H . 2.200 4.840 4.201 3.753 4.819 . 0 0 "[ . 1 . 2]" 1
175 1 18 TRP HB2 1 19 ALA H . . 3.890 2.339 2.121 2.945 . 0 0 "[ . 1 . 2]" 1
176 1 18 TRP HB3 1 19 ALA H . . 3.660 3.506 3.271 4.003 0.343 17 0 "[ . 1 . 2]" 1
177 1 18 TRP H 1 19 ALA H . . 3.090 2.775 2.653 2.901 . 0 0 "[ . 1 . 2]" 1
178 1 16 GLU QG 1 19 ALA MB . 2.880 5.900 4.624 4.006 5.512 . 0 0 "[ . 1 . 2]" 1
179 1 18 TRP H 1 19 ALA MB . 2.880 6.400 4.359 4.267 4.479 . 0 0 "[ . 1 . 2]" 1
180 1 20 LYS H 1 20 LYS HA . . 2.820 2.818 2.794 2.852 0.032 5 0 "[ . 1 . 2]" 1
181 1 17 PRO HA 1 20 LYS H . 2.210 5.440 4.254 3.829 4.885 . 0 0 "[ . 1 . 2]" 1
182 1 19 ALA H 1 20 LYS H . . 4.930 2.882 2.743 2.996 . 0 0 "[ . 1 . 2]" 1
183 1 19 ALA MB 1 20 LYS H . . 3.760 2.334 2.166 2.506 . 0 0 "[ . 1 . 2]" 1
184 1 20 LYS HA 1 20 LYS QB . 2.430 5.310 2.407 2.336 2.517 0.094 19 0 "[ . 1 . 2]" 1
185 1 20 LYS H 1 20 LYS QB . . 3.550 2.293 2.193 2.610 . 0 0 "[ . 1 . 2]" 1
186 1 20 LYS H 1 20 LYS QD . . 4.470 3.313 1.808 4.401 . 0 0 "[ . 1 . 2]" 1
187 1 20 LYS QB 1 20 LYS QD . 2.890 4.920 2.418 2.161 2.890 0.729 19 11 "[ ** * * 1 **-* *+*]" 1
188 1 17 PRO HA 1 20 LYS QE . 2.640 5.820 5.352 3.152 6.477 0.657 10 1 "[ . + . 2]" 1
189 1 20 LYS H 1 20 LYS QG . . 5.700 3.550 2.070 4.022 . 0 0 "[ . 1 . 2]" 1
190 1 20 LYS QB 1 20 LYS QG . . 2.250 2.047 1.990 2.122 . 0 0 "[ . 1 . 2]" 1
191 1 21 LYS H 1 21 LYS HA . 2.770 3.550 2.922 2.819 2.940 . 0 0 "[ . 1 . 2]" 1
192 1 21 LYS HA 1 21 LYS HB2 . 2.460 3.120 3.048 3.044 3.051 . 0 0 "[ . 1 . 2]" 1
193 1 21 LYS H 1 21 LYS HB2 . 2.380 3.180 2.449 2.392 2.516 . 0 0 "[ . 1 . 2]" 1
194 1 21 LYS HA 1 21 LYS HB3 . 2.390 3.090 2.487 2.439 2.518 . 0 0 "[ . 1 . 2]" 1
195 1 21 LYS H 1 21 LYS HB3 . 2.460 3.170 3.618 3.584 3.648 0.478 18 0 "[ . 1 . 2]" 1
196 1 21 LYS HA 1 21 LYS HG2 . 2.190 2.970 2.592 2.510 2.772 . 0 0 "[ . 1 . 2]" 1
197 1 21 LYS HB2 1 21 LYS HG2 . 2.770 4.180 3.049 3.042 3.057 . 0 0 "[ . 1 . 2]" 1
198 1 21 LYS HB3 1 21 LYS HG3 . 2.540 4.020 3.051 3.039 3.055 . 0 0 "[ . 1 . 2]" 1
199 1 21 LYS H 1 21 LYS HG3 . 2.110 3.150 2.387 2.179 2.528 . 0 0 "[ . 1 . 2]" 1
200 1 20 LYS HA 1 21 LYS H . 2.760 4.730 3.543 3.509 3.562 . 0 0 "[ . 1 . 2]" 1
201 1 20 LYS QG 1 21 LYS H . 3.030 5.290 3.940 3.039 4.601 . 0 0 "[ . 1 . 2]" 1
202 1 18 TRP HA 1 21 LYS QD . 2.730 5.990 4.135 2.464 5.837 0.266 17 0 "[ . 1 . 2]" 1
203 1 21 LYS HB2 1 21 LYS QE . 2.600 3.760 3.295 2.095 4.096 0.505 15 1 "[ . 1 + 2]" 1
204 1 22 CYS H 1 22 CYS HA . 2.940 3.890 2.903 2.863 2.935 0.077 13 0 "[ . 1 . 2]" 1
205 1 22 CYS H 1 22 CYS QB . 2.630 2.800 2.770 2.207 2.883 0.423 6 0 "[ . 1 . 2]" 1
206 1 19 ALA HA 1 22 CYS QB . . 3.150 2.642 2.248 3.434 0.284 13 0 "[ . 1 . 2]" 1
207 1 21 LYS HA 1 22 CYS H . 2.510 3.210 2.739 2.555 3.555 0.345 13 0 "[ . 1 . 2]" 1
208 1 21 LYS HB3 1 22 CYS H . 3.800 6.140 4.322 3.155 4.495 0.645 13 1 "[ . 1 + . 2]" 1
209 1 21 LYS H 1 22 CYS H . 2.260 2.670 3.320 2.672 3.468 0.798 19 18 "[***-* ****** *****+*]" 1
210 1 22 CYS HA 1 23 SER H . 2.620 3.120 2.450 2.328 2.545 0.292 13 0 "[ . 1 . 2]" 1
211 1 25 ASP H 1 25 ASP HA . 2.770 3.200 2.816 2.796 2.832 . 0 0 "[ . 1 . 2]" 1
212 1 25 ASP H 1 25 ASP HB2 . 2.280 2.790 2.521 2.480 2.557 . 0 0 "[ . 1 . 2]" 1
213 1 25 ASP HA 1 25 ASP HB3 . 2.440 3.030 2.499 2.481 2.525 . 0 0 "[ . 1 . 2]" 1
214 1 26 ILE H 1 26 ILE HB . . 2.740 2.612 2.570 2.660 . 0 0 "[ . 1 . 2]" 1
215 1 26 ILE HA 1 26 ILE HG12 . 2.150 3.510 3.252 3.206 3.309 . 0 0 "[ . 1 . 2]" 1
216 1 26 ILE HB 1 26 ILE HG12 . 2.280 5.020 2.438 2.433 2.450 . 0 0 "[ . 1 . 2]" 1
217 1 26 ILE H 1 26 ILE HG12 . . 2.980 1.973 1.934 2.060 . 0 0 "[ . 1 . 2]" 1
218 1 26 ILE HA 1 26 ILE HG13 . 2.550 4.600 3.838 3.799 3.861 . 0 0 "[ . 1 . 2]" 1
219 1 26 ILE H 1 26 ILE HG13 . 2.510 4.560 3.512 3.477 3.572 . 0 0 "[ . 1 . 2]" 1
220 1 25 ASP HA 1 26 ILE H . 2.670 4.020 3.540 3.524 3.561 . 0 0 "[ . 1 . 2]" 1
221 1 25 ASP HB2 1 26 ILE H . 2.030 3.130 2.460 2.277 2.558 . 0 0 "[ . 1 . 2]" 1
222 1 25 ASP H 1 26 ILE H . 2.390 3.420 2.777 2.706 2.908 . 0 0 "[ . 1 . 2]" 1
223 1 26 ILE HA 1 26 ILE MD . 2.240 2.920 2.198 2.144 2.243 0.096 19 0 "[ . 1 . 2]" 1
224 1 26 ILE HB 1 27 ALA H . . 3.220 2.425 2.307 2.574 . 0 0 "[ . 1 . 2]" 1
225 1 26 ILE H 1 27 ALA H . . 2.870 2.735 2.673 2.767 . 0 0 "[ . 1 . 2]" 1
226 1 22 CYS QB 1 27 ALA MB . 2.460 3.360 2.660 2.159 3.568 0.301 10 0 "[ . 1 . 2]" 1
227 1 27 ALA H 1 27 ALA MB . . 2.560 2.247 2.235 2.255 . 0 0 "[ . 1 . 2]" 1
228 1 28 THR H 1 28 THR HA . . 2.760 2.827 2.822 2.835 0.075 20 0 "[ . 1 . 2]" 1
229 1 28 THR HA 1 28 THR HB . 2.530 3.990 3.052 3.049 3.054 . 0 0 "[ . 1 . 2]" 1
230 1 28 THR H 1 28 THR HB . . 2.750 2.516 2.476 2.544 . 0 0 "[ . 1 . 2]" 1
231 1 25 ASP HA 1 28 THR H . 3.040 6.460 3.805 3.677 4.143 . 0 0 "[ . 1 . 2]" 1
232 1 27 ALA H 1 28 THR H . . 3.410 2.802 2.773 2.826 . 0 0 "[ . 1 . 2]" 1
233 1 27 ALA MB 1 28 THR H . 2.210 3.520 2.367 2.277 2.428 . 0 0 "[ . 1 . 2]" 1
234 1 28 THR HA 1 28 THR MG . 2.240 3.090 2.465 2.448 2.502 . 0 0 "[ . 1 . 2]" 1
235 1 29 TYR H 1 29 TYR HA . 2.970 4.380 2.831 2.812 2.851 0.158 8 0 "[ . 1 . 2]" 1
236 1 29 TYR HA 1 29 TYR HB2 . . 2.600 2.428 2.386 2.519 . 0 0 "[ . 1 . 2]" 1
237 1 29 TYR H 1 29 TYR HB2 . . 2.650 2.606 2.450 2.685 0.035 16 0 "[ . 1 . 2]" 1
238 1 29 TYR HA 1 29 TYR HB3 . 2.200 2.930 3.045 3.040 3.054 0.124 5 0 "[ . 1 . 2]" 1
239 1 29 TYR H 1 29 TYR HB3 . . 2.670 2.446 2.358 2.593 . 0 0 "[ . 1 . 2]" 1
240 1 26 ILE HA 1 29 TYR H . 2.960 4.270 3.416 3.231 3.630 . 0 0 "[ . 1 . 2]" 1
241 1 28 THR HA 1 29 TYR H . 2.760 4.900 3.539 3.526 3.553 . 0 0 "[ . 1 . 2]" 1
242 1 28 THR HB 1 29 TYR H . 2.450 3.340 2.576 2.437 2.708 0.013 18 0 "[ . 1 . 2]" 1
243 1 28 THR MG 1 29 TYR H . 3.640 6.000 3.496 3.341 3.613 0.299 13 0 "[ . 1 . 2]" 1
244 1 26 ILE HA 1 29 TYR QD . 2.920 5.180 4.083 3.573 4.624 . 0 0 "[ . 1 . 2]" 1
245 1 29 TYR HA 1 29 TYR QD . 2.680 3.610 2.722 2.047 3.208 0.633 5 1 "[ + 1 . 2]" 1
246 1 29 TYR HB2 1 29 TYR QD . . 2.380 2.522 2.321 2.716 0.336 5 0 "[ . 1 . 2]" 1
247 1 29 TYR HB3 1 29 TYR QD . 2.010 2.850 2.403 2.286 2.559 . 0 0 "[ . 1 . 2]" 1
248 1 29 TYR H 1 29 TYR QD . 3.760 5.600 4.202 4.177 4.219 . 0 0 "[ . 1 . 2]" 1
249 1 8 TRP HH2 1 30 ILE HA . 2.050 5.060 3.837 3.312 4.555 . 0 0 "[ . 1 . 2]" 1
250 1 8 TRP HZ3 1 30 ILE HA . 2.010 4.990 3.348 2.569 4.400 . 0 0 "[ . 1 . 2]" 1
251 1 30 ILE H 1 30 ILE HA . . 3.050 2.790 2.768 2.822 . 0 0 "[ . 1 . 2]" 1
252 1 27 ALA HA 1 30 ILE HB . 2.110 3.170 3.215 3.007 3.678 0.508 4 1 "[ +. 1 . 2]" 1
253 1 30 ILE H 1 30 ILE HB . . 2.670 2.458 2.395 2.529 . 0 0 "[ . 1 . 2]" 1
254 1 8 TRP HH2 1 30 ILE QG . 2.160 3.730 3.024 2.329 4.114 0.384 10 0 "[ . 1 . 2]" 1
255 1 8 TRP HZ3 1 30 ILE QG . 2.390 4.940 2.853 2.201 4.118 0.189 4 0 "[ . 1 . 2]" 1
256 1 30 ILE HA 1 30 ILE QG . . 3.070 2.426 2.278 2.467 . 0 0 "[ . 1 . 2]" 1
257 1 30 ILE H 1 30 ILE QG . 2.360 3.510 2.014 1.952 2.185 0.408 16 0 "[ . 1 . 2]" 1
258 1 29 TYR QD 1 30 ILE QG . 3.620 5.860 2.674 2.364 4.116 1.256 4 19 [***+.**************-] 1
259 1 29 TYR QE 1 30 ILE QG . 2.900 5.140 4.072 3.658 5.393 0.253 5 0 "[ . 1 . 2]" 1
260 1 26 ILE HA 1 30 ILE H . 2.590 5.070 4.076 3.812 4.195 . 0 0 "[ . 1 . 2]" 1
261 1 27 ALA HA 1 30 ILE H . 2.490 5.780 3.980 3.833 4.193 . 0 0 "[ . 1 . 2]" 1
262 1 29 TYR HA 1 30 ILE H . 2.780 4.610 3.553 3.543 3.563 . 0 0 "[ . 1 . 2]" 1
263 1 29 TYR HB2 1 30 ILE H . 2.120 3.540 3.720 3.581 3.794 0.254 11 0 "[ . 1 . 2]" 1
264 1 29 TYR HB3 1 30 ILE H . 2.160 3.640 2.278 2.175 2.381 . 0 0 "[ . 1 . 2]" 1
265 1 29 TYR H 1 30 ILE H . 2.040 3.150 2.849 2.772 2.908 . 0 0 "[ . 1 . 2]" 1
266 1 29 TYR QD 1 30 ILE H . 2.970 5.470 3.016 2.668 3.977 0.302 10 0 "[ . 1 . 2]" 1
267 1 8 TRP HH2 1 30 ILE MD . 2.790 5.150 4.390 3.112 5.464 0.314 10 0 "[ . 1 . 2]" 1
268 1 8 TRP HZ3 1 30 ILE MD . 2.370 3.800 4.034 2.791 5.005 1.205 10 5 "[ . - +* . **2]" 1
269 1 30 ILE HA 1 30 ILE MD . 2.890 4.570 3.896 3.788 3.926 . 0 0 "[ . 1 . 2]" 1
270 1 30 ILE H 1 30 ILE MD . 2.900 5.860 3.418 3.301 3.676 . 0 0 "[ . 1 . 2]" 1
271 1 8 TRP HZ3 1 30 ILE MG . 2.530 3.980 2.570 2.107 3.626 0.423 5 0 "[ . 1 . 2]" 1
272 1 30 ILE HA 1 30 ILE MG . . 2.800 2.522 2.496 2.555 . 0 0 "[ . 1 . 2]" 1
273 1 30 ILE MG 1 31 LYS HA . 2.690 6.370 3.436 3.305 3.557 . 0 0 "[ . 1 . 2]" 1
274 1 31 LYS HA 1 31 LYS QD . 2.240 3.460 3.166 2.091 4.258 0.798 16 2 "[ . - .+ 2]" 1
275 1 31 LYS H 1 31 LYS QD . 2.270 5.260 4.554 4.154 4.731 . 0 0 "[ . 1 . 2]" 1
276 1 28 THR HA 1 31 LYS QE . . 2.980 4.040 2.179 5.743 2.763 9 11 "[ ** * *+1 ***.- **2]" 1
277 1 31 LYS QD 1 31 LYS QE . 2.380 2.870 2.125 2.121 2.128 0.259 5 0 "[ . 1 . 2]" 1
278 1 31 LYS QE 1 31 LYS QG . 2.230 3.530 2.469 2.410 2.507 . 0 0 "[ . 1 . 2]" 1
279 1 26 ILE MG 1 31 LYS QE . 2.690 7.780 7.695 6.726 8.126 0.346 11 0 "[ . 1 . 2]" 1
280 1 31 LYS QB 1 31 LYS QE . 3.100 4.570 2.151 2.009 2.562 1.091 16 20 [********-******+****] 1
281 1 28 THR HA 1 31 LYS H . . 4.540 3.875 3.659 4.095 . 0 0 "[ . 1 . 2]" 1
282 1 30 ILE QG 1 31 LYS H . 2.770 5.430 4.023 3.945 4.122 . 0 0 "[ . 1 . 2]" 1
283 1 30 ILE MD 1 31 LYS H . 3.140 6.000 4.447 4.312 4.789 . 0 0 "[ . 1 . 2]" 1
284 1 30 ILE MG 1 31 LYS H . 2.900 5.240 3.263 3.182 3.457 . 0 0 "[ . 1 . 2]" 1
285 1 28 THR HA 1 31 LYS QB . 2.180 5.900 2.685 2.421 2.834 . 0 0 "[ . 1 . 2]" 1
286 1 31 LYS HA 1 31 LYS QB . 2.090 3.550 2.404 2.337 2.539 . 0 0 "[ . 1 . 2]" 1
287 1 31 LYS H 1 31 LYS QB . . 2.800 2.185 2.106 2.213 . 0 0 "[ . 1 . 2]" 1
288 1 31 LYS H 1 31 LYS QG . . 3.270 4.040 3.962 4.071 0.801 8 20 [*******+*******-****] 1
289 1 31 LYS QB 1 31 LYS QG . . 2.630 2.036 2.019 2.120 . 0 0 "[ . 1 . 2]" 1
290 1 29 TYR QD 1 32 ARG QG . 2.890 6.120 5.460 4.610 6.249 0.129 4 0 "[ . 1 . 2]" 1
291 1 32 ARG HA 1 32 ARG QG . 2.680 3.600 2.477 2.393 3.001 0.287 4 0 "[ . 1 . 2]" 1
292 1 32 ARG HE 1 32 ARG QG . 2.040 2.900 2.243 2.215 2.427 . 0 0 "[ . 1 . 2]" 1
293 1 32 ARG HA 1 32 ARG QB . 2.230 2.680 2.380 2.346 2.416 . 0 0 "[ . 1 . 2]" 1
294 1 32 ARG HA 1 32 ARG QD . 3.340 5.650 3.973 2.190 4.159 1.150 3 1 "[ + . 1 . 2]" 1
295 1 32 ARG QD 1 32 ARG HE . 2.120 2.920 2.522 2.517 2.525 . 0 0 "[ . 1 . 2]" 1
296 1 32 ARG QB 1 32 ARG QD . 2.930 3.890 2.216 2.176 2.401 0.754 10 20 [*********+-*********] 1
297 1 29 TYR QE 1 33 GLU HA . 2.530 5.190 5.426 4.827 5.648 0.458 8 0 "[ . 1 . 2]" 1
298 1 33 GLU H 1 33 GLU HA . . 2.470 2.819 2.792 2.843 0.373 6 0 "[ . 1 . 2]" 1
299 1 30 ILE HA 1 33 GLU HB2 . . 5.700 3.021 2.510 3.375 . 0 0 "[ . 1 . 2]" 1
300 1 33 GLU HA 1 33 GLU HB2 . 2.110 3.540 3.047 3.041 3.050 . 0 0 "[ . 1 . 2]" 1
301 1 33 GLU H 1 33 GLU HB2 . . 3.800 2.633 2.492 2.760 . 0 0 "[ . 1 . 2]" 1
302 1 33 GLU HA 1 33 GLU HB3 . 2.170 2.860 2.439 2.392 2.501 . 0 0 "[ . 1 . 2]" 1
303 1 33 GLU H 1 33 GLU HB3 . . 3.720 3.616 3.590 3.635 . 0 0 "[ . 1 . 2]" 1
304 1 8 TRP HZ2 1 33 GLU QG . 2.100 3.380 3.015 2.680 3.440 0.060 4 0 "[ . 1 . 2]" 1
305 1 30 ILE HA 1 33 GLU QG . 2.040 4.450 2.518 2.014 3.238 0.026 4 0 "[ . 1 . 2]" 1
306 1 33 GLU HA 1 33 GLU QG . 2.960 5.090 3.077 2.866 3.198 0.094 5 0 "[ . 1 . 2]" 1
307 1 33 GLU HB2 1 33 GLU QG . 2.010 2.950 2.196 2.184 2.207 . 0 0 "[ . 1 . 2]" 1
308 1 33 GLU HB3 1 33 GLU QG . 2.190 3.150 2.358 2.313 2.443 . 0 0 "[ . 1 . 2]" 1
309 1 29 TYR QE 1 33 GLU QG . 2.330 6.150 2.755 2.199 3.562 0.131 3 0 "[ . 1 . 2]" 1
310 1 33 GLU H 1 33 GLU QG . . 2.640 2.145 2.016 2.281 . 0 0 "[ . 1 . 2]" 1
311 1 32 ARG HA 1 33 GLU H . 2.280 3.660 3.555 3.543 3.572 . 0 0 "[ . 1 . 2]" 1
312 1 32 ARG QG 1 33 GLU H . . 2.980 3.644 3.401 3.847 0.867 11 18 "[***** ****+ ******-*]" 1
313 1 34 CYS H 1 34 CYS HA . 2.510 3.130 2.853 2.816 2.933 . 0 0 "[ . 1 . 2]" 1
314 1 34 CYS HA 1 34 CYS QB . 2.650 3.040 2.339 2.308 2.395 0.342 12 0 "[ . 1 . 2]" 1
315 1 34 CYS H 1 34 CYS QB . 2.730 2.890 2.264 2.148 2.403 0.582 4 1 "[ +. 1 . 2]" 1
316 1 30 ILE HA 1 34 CYS H . 2.530 5.160 4.241 3.566 4.604 . 0 0 "[ . 1 . 2]" 1
317 1 31 LYS HA 1 34 CYS H . 2.260 4.360 4.250 3.952 4.541 0.181 14 0 "[ . 1 . 2]" 1
318 1 33 GLU HA 1 34 CYS H . 3.070 4.650 3.559 3.524 3.595 . 0 0 "[ . 1 . 2]" 1
319 1 33 GLU HB2 1 34 CYS H . 2.410 5.310 2.217 2.113 2.325 0.297 15 0 "[ . 1 . 2]" 1
320 1 33 GLU HB3 1 34 CYS H . 2.620 5.520 3.359 3.214 3.549 . 0 0 "[ . 1 . 2]" 1
321 1 33 GLU H 1 34 CYS H . . 2.760 2.896 2.791 3.010 0.250 16 0 "[ . 1 . 2]" 1
322 1 35 GLY H 1 35 GLY HA2 . 2.510 2.860 2.830 2.786 2.864 0.004 14 0 "[ . 1 . 2]" 1
323 1 34 CYS HA 1 35 GLY H . 3.000 4.460 3.548 3.528 3.567 . 0 0 "[ . 1 . 2]" 1
324 1 34 CYS QB 1 35 GLY H . 3.620 3.650 2.332 2.206 2.455 1.414 11 20 [****-*****+*********] 1
325 1 34 CYS H 1 35 GLY H . 2.230 2.880 2.724 2.474 2.830 . 0 0 "[ . 1 . 2]" 1
326 1 35 GLY HA3 1 36 LYS HA . 3.260 5.600 4.383 4.294 4.454 . 0 0 "[ . 1 . 2]" 1
327 1 36 LYS H 1 36 LYS HA . 2.350 3.090 2.883 2.800 2.943 . 0 0 "[ . 1 . 2]" 1
328 1 36 LYS HA 1 36 LYS HB2 . 2.030 2.720 2.547 2.495 2.618 . 0 0 "[ . 1 . 2]" 1
329 1 36 LYS H 1 36 LYS HB2 . . 2.500 2.472 2.382 2.609 0.109 11 0 "[ . 1 . 2]" 1
330 1 36 LYS HA 1 36 LYS HB3 . 2.820 5.210 3.044 3.035 3.050 . 0 0 "[ . 1 . 2]" 1
331 1 36 LYS H 1 36 LYS HB3 . . 3.720 2.631 2.540 2.729 . 0 0 "[ . 1 . 2]" 1
332 1 35 GLY H 1 36 LYS H . . 2.860 2.962 2.841 3.051 0.191 18 0 "[ . 1 . 2]" 1
333 1 33 GLU HA 1 36 LYS QE . 3.040 5.630 5.257 3.625 6.787 1.157 16 3 "[* . - 1 .+ 2]" 1
334 1 36 LYS HA 1 36 LYS QG . 2.380 3.370 2.415 2.375 2.457 0.005 11 0 "[ . 1 . 2]" 1
335 1 36 LYS H 1 36 LYS QG . 2.420 4.930 4.014 3.986 4.062 . 0 0 "[ . 1 . 2]" 1
336 1 37 LEU H 1 37 LEU HA . 2.650 3.790 2.885 2.841 2.945 . 0 0 "[ . 1 . 2]" 1
337 1 37 LEU HA 1 37 LEU HB2 . 2.120 2.670 2.575 2.482 2.860 0.190 18 0 "[ . 1 . 2]" 1
338 1 37 LEU H 1 37 LEU HB2 . 2.670 3.580 2.973 2.077 3.501 0.593 14 2 "[ . 1 +. - 2]" 1
339 1 34 CYS HA 1 37 LEU H . 3.400 6.630 5.863 4.687 7.397 0.767 5 1 "[ + 1 . 2]" 1
340 1 36 LYS HA 1 37 LEU H . 2.650 3.380 2.491 2.109 3.581 0.541 5 3 "[ * + 1 . -]" 1
341 1 37 LEU HA 1 37 LEU QD . 2.540 3.530 2.236 1.961 2.845 0.579 18 6 "[ - . *1 * ** + 2]" 1
342 1 37 LEU HB2 1 37 LEU QD . 2.790 4.640 2.351 2.261 2.457 0.529 3 4 "[ + . *1* - 2]" 1
343 1 37 LEU H 1 37 LEU QD . 3.590 6.970 3.841 3.687 4.039 . 0 0 "[ . 1 . 2]" 1
344 1 12 CYS HB2 1 37 LEU QD . 2.330 7.080 6.447 5.197 7.863 0.783 10 1 "[ . + . 2]" 1
345 1 34 CYS HA 1 37 LEU QD . 2.600 4.110 4.317 2.683 5.043 0.933 13 8 "[ .* ** -+*. * *2]" 1
346 1 10 THR MG 2 1 TRP HD1 . 2.550 5.680 3.819 2.000 5.523 0.550 19 1 "[ . 1 . +2]" 1
347 2 1 TRP HA 2 1 TRP HD1 . 2.540 5.810 3.952 2.518 4.878 0.022 19 0 "[ . 1 . 2]" 1
348 1 11 VAL HA 2 1 TRP HE1 . . 5.020 3.709 1.713 6.337 1.317 4 2 "[ +- 1 . 2]" 1
349 1 11 VAL HB 2 1 TRP HH2 . . 5.820 3.803 2.246 5.689 . 0 0 "[ . 1 . 2]" 1
350 1 10 THR MG 2 1 TRP HZ2 . 2.200 5.490 4.338 2.034 5.974 0.484 5 0 "[ . 1 . 2]" 1
351 1 11 VAL HB 2 1 TRP HZ2 . . 5.750 3.467 2.020 5.804 0.054 5 0 "[ . 1 . 2]" 1
352 1 14 THR HB 2 1 TRP HZ2 . . 4.000 3.362 1.908 5.553 1.553 4 1 "[ +. 1 . 2]" 1
353 1 14 THR MG 2 1 TRP HZ2 . 2.140 4.460 3.312 2.042 4.712 0.252 7 0 "[ . 1 . 2]" 1
354 1 15 VAL MG1 2 1 TRP HZ3 . 2.460 6.760 4.550 2.790 6.213 . 0 0 "[ . 1 . 2]" 1
355 2 2 SER H 2 2 SER HA . 2.570 5.110 2.887 2.825 2.954 . 0 0 "[ . 1 . 2]" 1
356 2 2 SER H 2 2 SER HB2 . 2.110 4.540 2.785 2.405 3.577 . 0 0 "[ . 1 . 2]" 1
357 2 2 SER H 2 2 SER HB3 . 2.860 5.200 2.809 2.435 3.977 0.425 18 0 "[ . 1 . 2]" 1
358 2 1 TRP HB2 2 2 SER H . . 5.270 3.108 1.956 3.841 . 0 0 "[ . 1 . 2]" 1
359 2 1 TRP HB3 2 2 SER H . 2.610 5.730 3.336 1.898 4.116 0.712 17 2 "[ . 1 - + 2]" 1
360 2 1 TRP HD1 2 2 SER H . 2.160 4.640 3.521 2.250 4.953 0.313 20 0 "[ . 1 . 2]" 1
361 2 3 THR H 2 3 THR HA . 2.190 3.610 2.862 2.805 2.937 . 0 0 "[ . 1 . 2]" 1
362 2 3 THR H 2 3 THR HB . . 3.240 2.495 2.431 2.549 . 0 0 "[ . 1 . 2]" 1
363 2 2 SER HA 2 3 THR H . . 3.820 2.404 2.068 2.656 . 0 0 "[ . 1 . 2]" 1
364 2 2 SER HB3 2 3 THR H . 2.440 5.040 3.404 2.210 4.339 0.230 15 0 "[ . 1 . 2]" 1
365 2 3 THR HA 2 3 THR MG . 2.350 3.600 2.466 2.423 2.479 . 0 0 "[ . 1 . 2]" 1
366 2 3 THR H 2 3 THR MG . 3.290 6.670 3.791 3.778 3.816 . 0 0 "[ . 1 . 2]" 1
367 2 4 ILE H 2 4 ILE HA . . 2.710 2.865 2.807 2.925 0.215 17 0 "[ . 1 . 2]" 1
368 2 4 ILE HA 2 4 ILE HB . . 3.060 3.036 3.026 3.047 . 0 0 "[ . 1 . 2]" 1
369 2 4 ILE H 2 4 ILE HB . . 2.860 2.427 2.348 2.525 . 0 0 "[ . 1 . 2]" 1
370 2 4 ILE HA 2 4 ILE HG12 . 2.220 4.490 3.274 2.560 3.725 . 0 0 "[ . 1 . 2]" 1
371 2 4 ILE H 2 4 ILE HG12 . . 4.750 3.245 2.036 3.999 . 0 0 "[ . 1 . 2]" 1
372 2 4 ILE H 2 4 ILE HG13 . 2.200 5.280 3.249 2.003 3.756 0.197 5 0 "[ . 1 . 2]" 1
373 2 3 THR HB 2 4 ILE H . . 2.780 2.268 2.057 2.535 . 0 0 "[ . 1 . 2]" 1
374 2 3 THR H 2 4 ILE H . 2.290 3.650 2.707 2.416 2.915 . 0 0 "[ . 1 . 2]" 1
375 2 4 ILE HA 2 4 ILE MG . . 2.390 2.521 2.465 2.598 0.208 13 0 "[ . 1 . 2]" 1
376 1 7 ILE MD 2 5 VAL HA . . 3.530 2.801 2.233 3.395 . 0 0 "[ . 1 . 2]" 1
377 1 7 ILE MG 2 5 VAL HA . 2.840 6.980 3.776 3.169 4.416 . 0 0 "[ . 1 . 2]" 1
378 2 2 SER H 2 5 VAL HB . 2.020 5.440 3.278 1.805 4.728 0.215 9 0 "[ . 1 . 2]" 1
379 2 5 VAL H 2 5 VAL HB . . 4.180 2.577 2.473 2.678 . 0 0 "[ . 1 . 2]" 1
380 2 4 ILE HA 2 5 VAL H . . 3.870 3.552 3.540 3.570 . 0 0 "[ . 1 . 2]" 1
381 2 4 ILE HB 2 5 VAL H . . 3.820 2.383 2.233 2.499 . 0 0 "[ . 1 . 2]" 1
382 2 4 ILE HG13 2 5 VAL H . 2.460 5.790 4.679 4.069 4.981 . 0 0 "[ . 1 . 2]" 1
383 2 4 ILE H 2 5 VAL H . 2.130 5.420 2.672 2.448 2.863 . 0 0 "[ . 1 . 2]" 1
384 1 10 THR MG 2 5 VAL QG . 3.130 6.700 2.171 1.796 2.860 1.334 3 18 "[* +***** *-*********]" 1
385 1 11 VAL QG 2 5 VAL QG . 3.000 3.700 2.481 1.972 3.133 1.028 5 12 "[* * + -* * **** ** 2]" 1
386 2 1 TRP HB3 2 5 VAL QG . 2.040 5.760 4.929 2.350 6.557 0.797 18 1 "[ . 1 . + 2]" 1
387 2 1 TRP HE3 2 5 VAL QG . 2.220 5.310 4.583 2.530 6.217 0.907 18 5 "[* -. 1 * *+ 2]" 1
388 2 5 VAL HA 2 5 VAL QG . . 2.940 2.178 2.161 2.193 . 0 0 "[ . 1 . 2]" 1
389 1 7 ILE HA 2 5 VAL QG . . 4.100 3.386 2.623 4.252 0.152 9 0 "[ . 1 . 2]" 1
390 2 2 SER H 2 5 VAL QG . 2.520 6.740 3.702 2.572 4.937 . 0 0 "[ . 1 . 2]" 1
391 2 5 VAL H 2 5 VAL QG . . 3.120 1.983 1.916 2.094 . 0 0 "[ . 1 . 2]" 1
392 2 1 TRP HE3 2 6 LYS HA . 2.170 5.410 4.388 2.589 5.466 0.056 4 0 "[ . 1 . 2]" 1
393 2 5 VAL HA 2 6 LYS H . 2.150 4.980 3.543 3.505 3.569 . 0 0 "[ . 1 . 2]" 1
394 2 5 VAL H 2 6 LYS H . . 3.470 2.809 2.734 2.870 . 0 0 "[ . 1 . 2]" 1
395 2 5 VAL QG 2 6 LYS H . 2.300 6.610 3.216 3.122 3.290 . 0 0 "[ . 1 . 2]" 1
396 2 3 THR HA 2 6 LYS QB . 2.540 4.300 3.384 2.361 4.131 0.179 14 0 "[ . 1 . 2]" 1
397 2 6 LYS HA 2 6 LYS QB . . 2.550 2.383 2.329 2.450 . 0 0 "[ . 1 . 2]" 1
398 2 6 LYS H 2 6 LYS QB . 2.080 3.420 2.247 2.145 2.291 . 0 0 "[ . 1 . 2]" 1
399 2 7 LEU H 2 7 LEU HA . . 3.030 2.807 2.769 2.839 . 0 0 "[ . 1 . 2]" 1
400 2 7 LEU H 2 7 LEU HB3 . 2.450 3.990 3.605 3.593 3.627 . 0 0 "[ . 1 . 2]" 1
401 2 7 LEU HA 2 7 LEU HB2 . 2.140 3.380 3.049 3.039 3.053 . 0 0 "[ . 1 . 2]" 1
402 2 7 LEU H 2 7 LEU HB2 . 2.090 3.240 2.535 2.466 2.620 . 0 0 "[ . 1 . 2]" 1
403 2 3 THR HA 2 7 LEU HG . 2.140 4.030 4.389 3.488 4.771 0.741 6 6 "[ * .+* -1 * * 2]" 1
404 2 7 LEU H 2 7 LEU HG . . 3.000 2.125 1.960 2.291 . 0 0 "[ . 1 . 2]" 1
405 2 4 ILE HA 2 7 LEU H . 2.020 5.260 3.869 3.420 4.313 . 0 0 "[ . 1 . 2]" 1
406 2 6 LYS QB 2 7 LEU H . 2.570 6.320 2.322 2.133 2.587 0.437 1 0 "[ . 1 . 2]" 1
407 1 7 ILE MG 2 8 THR HB . 2.330 5.140 3.074 2.515 3.526 . 0 0 "[ . 1 . 2]" 1
408 1 11 VAL QG 2 8 THR HB . 2.230 6.320 4.585 4.040 4.987 . 0 0 "[ . 1 . 2]" 1
409 2 5 VAL QG 2 8 THR HB . 2.100 5.260 3.538 3.381 3.837 . 0 0 "[ . 1 . 2]" 1
410 2 8 THR H 2 8 THR HB . . 3.870 2.526 2.401 2.624 . 0 0 "[ . 1 . 2]" 1
411 1 7 ILE MD 2 8 THR H . 2.490 7.800 5.263 4.802 5.954 . 0 0 "[ . 1 . 2]" 1
412 2 5 VAL HA 2 8 THR H . . 6.120 3.568 3.420 3.909 . 0 0 "[ . 1 . 2]" 1
413 2 5 VAL QG 2 8 THR H . 2.790 7.150 4.400 4.279 4.651 . 0 0 "[ . 1 . 2]" 1
414 2 7 LEU HB3 2 8 THR H . 2.500 5.510 3.676 3.544 3.923 . 0 0 "[ . 1 . 2]" 1
415 2 7 LEU HB2 2 8 THR H . 2.140 4.160 2.663 2.542 3.052 . 0 0 "[ . 1 . 2]" 1
416 2 7 LEU H 2 8 THR H . . 4.730 2.769 2.694 2.877 . 0 0 "[ . 1 . 2]" 1
417 1 7 ILE MD 2 8 THR MG . 2.720 5.750 3.186 2.676 3.635 0.044 3 0 "[ . 1 . 2]" 1
418 1 7 ILE MG 2 8 THR MG . 2.980 5.420 2.242 1.937 2.793 1.043 15 16 "[** ****-*1* **+*** *]" 1
419 2 1 TRP HH2 2 9 ILE HB . . 4.420 4.922 4.172 6.082 1.662 17 10 "[ * ** * 1 - ***+ *2]" 1
420 2 1 TRP HZ2 2 9 ILE HB . . 6.970 5.308 3.830 7.499 0.529 5 1 "[ + 1 . 2]" 1
421 2 9 ILE H 2 9 ILE HB . 2.250 6.120 2.601 2.552 2.693 . 0 0 "[ . 1 . 2]" 1
422 1 11 VAL QG 2 9 ILE QG . 2.860 7.060 2.288 2.005 2.779 0.855 17 16 "[******** - * ***+ **]" 1
423 2 1 TRP HH2 2 9 ILE QG . 2.160 5.910 3.582 2.184 4.962 . 0 0 "[ . 1 . 2]" 1
424 2 1 TRP HZ3 2 9 ILE QG . 2.170 6.030 4.705 3.219 6.925 0.895 14 1 "[ . 1 +. 2]" 1
425 2 9 ILE HA 2 9 ILE QG . 2.220 3.650 2.942 2.849 3.015 . 0 0 "[ . 1 . 2]" 1
426 2 9 ILE H 2 9 ILE QG . 2.490 5.600 4.102 4.077 4.122 . 0 0 "[ . 1 . 2]" 1
427 2 5 VAL HA 2 9 ILE H . 2.050 7.300 4.332 4.003 4.628 . 0 0 "[ . 1 . 2]" 1
428 2 8 THR HB 2 9 ILE H . . 4.660 2.374 2.205 2.572 . 0 0 "[ . 1 . 2]" 1
429 2 8 THR H 2 9 ILE H . . 3.840 2.763 2.675 2.823 . 0 0 "[ . 1 . 2]" 1
430 1 3 ILE MD 2 9 ILE MD . 2.730 5.050 2.467 2.045 3.076 0.685 6 8 "[* ***+ * - * . 2]" 1
431 1 3 ILE MG 2 9 ILE MD . 3.110 7.540 3.372 2.820 4.008 0.290 6 0 "[ . 1 . 2]" 1
432 1 8 TRP HZ3 2 9 ILE MD . 2.550 5.950 2.419 1.965 3.411 0.585 10 2 "[ . + - . 2]" 1
433 2 9 ILE HA 2 9 ILE MD . . 2.800 2.039 1.984 2.087 . 0 0 "[ . 1 . 2]" 1
434 2 9 ILE HB 2 9 ILE MD . 2.360 4.280 2.422 2.386 2.457 . 0 0 "[ . 1 . 2]" 1
435 2 9 ILE H 2 9 ILE MD . 2.910 7.690 4.176 4.128 4.233 . 0 0 "[ . 1 . 2]" 1
436 1 11 VAL QG 2 9 ILE MG . 2.580 5.050 2.486 1.965 3.284 0.615 12 3 "[ * - 1 + . 2]" 1
437 2 1 TRP HZ3 2 9 ILE MG . 2.130 4.340 3.343 2.471 4.592 0.252 4 0 "[ . 1 . 2]" 1
438 2 5 VAL QG 2 9 ILE MG . 2.390 6.120 3.015 2.166 3.482 0.224 6 0 "[ . 1 . 2]" 1
439 2 6 LYS HA 2 9 ILE MG . . 3.670 2.276 1.998 2.845 . 0 0 "[ . 1 . 2]" 1
440 2 9 ILE HA 2 9 ILE MG . 2.910 6.470 3.267 3.255 3.278 . 0 0 "[ . 1 . 2]" 1
441 2 9 ILE QG 2 9 ILE MG . 2.190 4.000 2.111 2.099 2.126 0.091 1 0 "[ . 1 . 2]" 1
442 2 9 ILE H 2 9 ILE MG . . 3.490 2.043 1.956 2.161 . 0 0 "[ . 1 . 2]" 1
443 2 10 CYS H 2 10 CYS HA . 2.440 3.860 2.733 2.686 2.779 . 0 0 "[ . 1 . 2]" 1
444 2 10 CYS HA 2 10 CYS HB2 . 2.460 3.860 3.009 2.949 3.041 . 0 0 "[ . 1 . 2]" 1
445 2 10 CYS H 2 10 CYS HB2 . . 2.930 2.433 2.150 2.651 . 0 0 "[ . 1 . 2]" 1
446 2 10 CYS HA 2 10 CYS HB3 . 2.750 3.980 2.603 2.473 2.783 0.277 7 0 "[ . 1 . 2]" 1
447 2 10 CYS H 2 10 CYS HB3 . 2.340 4.320 3.606 3.470 3.675 . 0 0 "[ . 1 . 2]" 1
448 2 7 LEU HA 2 10 CYS H . 2.380 4.820 3.949 3.402 4.999 0.179 6 0 "[ . 1 . 2]" 1
449 2 9 ILE HB 2 10 CYS H . 2.510 6.460 4.033 3.774 4.248 . 0 0 "[ . 1 . 2]" 1
450 2 9 ILE H 2 10 CYS H . . 2.900 2.548 2.440 2.628 . 0 0 "[ . 1 . 2]" 1
451 2 9 ILE MG 2 10 CYS H . 2.460 5.480 2.351 1.989 2.738 0.471 2 0 "[ . 1 . 2]" 1
452 2 11 PRO HD3 2 11 PRO HG3 . 2.060 2.810 2.399 2.389 2.407 . 0 0 "[ . 1 . 2]" 1
453 2 11 PRO QB 2 11 PRO HD3 . 2.460 3.250 2.709 2.699 2.716 . 0 0 "[ . 1 . 2]" 1
454 2 10 CYS H 2 11 PRO HD2 . 2.400 3.250 2.477 2.369 2.609 0.031 3 0 "[ . 1 . 2]" 1
455 2 11 PRO HD2 2 11 PRO HG3 . 2.470 3.240 2.670 2.658 2.684 . 0 0 "[ . 1 . 2]" 1
456 2 11 PRO QB 2 11 PRO HD2 . 2.610 3.360 3.533 3.525 3.541 0.181 6 0 "[ . 1 . 2]" 1
457 2 12 THR H 2 12 THR HA . . 3.010 2.826 2.808 2.843 . 0 0 "[ . 1 . 2]" 1
458 2 12 THR H 2 12 THR HB . . 3.150 2.603 2.454 2.655 . 0 0 "[ . 1 . 2]" 1
459 2 11 PRO HD3 2 12 THR H . 2.030 4.970 4.049 3.940 4.125 . 0 0 "[ . 1 . 2]" 1
460 2 11 PRO HD2 2 12 THR H . 2.300 4.730 3.111 2.902 3.278 . 0 0 "[ . 1 . 2]" 1
461 2 11 PRO QB 2 12 THR H . 2.820 4.350 2.969 2.851 3.090 . 0 0 "[ . 1 . 2]" 1
462 1 8 TRP HH2 2 12 THR MG . 2.710 7.550 2.334 1.919 2.951 0.791 8 6 "[ * - *+ 1 * .* 2]" 1
463 1 30 ILE MD 2 12 THR MG . 3.410 7.770 1.976 1.928 2.040 1.482 14 20 [**********-**+******] 1
464 2 12 THR HA 2 12 THR MG . 2.180 2.760 2.418 2.385 2.515 . 0 0 "[ . 1 . 2]" 1
465 2 10 CYS HA 2 13 LEU HB2 . 2.100 3.140 2.782 2.303 3.843 0.703 18 3 "[ . -1* . + 2]" 1
466 2 13 LEU H 2 13 LEU HB2 . . 4.090 2.564 2.470 2.662 . 0 0 "[ . 1 . 2]" 1
467 2 13 LEU HA 2 13 LEU HB3 . 2.140 5.430 2.464 2.409 2.503 . 0 0 "[ . 1 . 2]" 1
468 2 13 LEU H 2 13 LEU HB3 . . 4.380 3.618 3.601 3.629 . 0 0 "[ . 1 . 2]" 1
469 2 9 ILE HB 2 13 LEU HG . . 3.890 4.869 4.745 5.014 1.124 2 20 [*+**************-***] 1
470 2 9 ILE QG 2 13 LEU HG . . 3.320 2.004 1.933 2.183 . 0 0 "[ . 1 . 2]" 1
471 2 9 ILE MD 2 13 LEU HG . 2.650 4.910 3.048 2.371 3.411 0.279 9 0 "[ . 1 . 2]" 1
472 2 13 LEU H 2 13 LEU HG . . 5.460 2.176 2.081 2.278 . 0 0 "[ . 1 . 2]" 1
473 2 9 ILE QG 2 13 LEU H . 2.100 5.390 3.633 3.254 3.950 . 0 0 "[ . 1 . 2]" 1
474 2 10 CYS HA 2 13 LEU H . 2.510 5.400 3.614 3.293 4.320 . 0 0 "[ . 1 . 2]" 1
475 2 12 THR HA 2 13 LEU H . . 3.380 3.548 3.538 3.567 0.187 20 0 "[ . 1 . 2]" 1
476 2 12 THR HB 2 13 LEU H . . 3.900 2.394 2.135 2.538 . 0 0 "[ . 1 . 2]" 1
477 2 12 THR H 2 13 LEU H . . 4.060 2.761 2.697 2.925 . 0 0 "[ . 1 . 2]" 1
478 1 11 VAL HB 2 13 LEU QD . . 5.790 3.908 3.618 4.451 . 0 0 "[ . 1 . 2]" 1
479 1 14 THR MG 2 13 LEU QD . 3.060 7.290 3.678 2.942 4.167 0.118 8 0 "[ . 1 . 2]" 1
480 1 15 VAL HA 2 13 LEU QD . . 4.530 3.475 2.763 4.666 0.136 4 0 "[ . 1 . 2]" 1
481 1 18 TRP HZ3 2 13 LEU QD . 2.170 4.080 2.667 2.051 4.754 0.674 4 1 "[ +. 1 . 2]" 1
482 2 13 LEU HB3 2 13 LEU QD . 2.150 3.380 2.167 2.152 2.178 . 0 0 "[ . 1 . 2]" 1
483 2 13 LEU H 2 13 LEU QD . 2.540 5.450 2.992 2.818 3.112 . 0 0 "[ . 1 . 2]" 1
484 2 13 LEU HA 2 13 LEU QD . 3.020 5.780 2.041 1.980 2.120 1.040 8 20 [*******+*-**********] 1
485 2 13 LEU HA 2 14 LYS H . 2.220 6.230 3.521 3.505 3.540 . 0 0 "[ . 1 . 2]" 1
486 2 13 LEU HB3 2 14 LYS H . . 4.490 3.796 3.697 4.002 . 0 0 "[ . 1 . 2]" 1
487 2 13 LEU H 2 14 LYS H . . 4.900 2.721 2.651 2.792 . 0 0 "[ . 1 . 2]" 1
488 2 14 LYS HA 2 14 LYS QB . . 2.820 2.421 2.336 2.503 . 0 0 "[ . 1 . 2]" 1
489 2 14 LYS H 2 14 LYS QB . 2.260 3.420 2.407 2.247 2.647 0.013 18 0 "[ . 1 . 2]" 1
490 2 14 LYS HA 2 14 LYS QD . . 3.390 2.113 2.027 2.257 . 0 0 "[ . 1 . 2]" 1
491 2 14 LYS H 2 14 LYS QD . . 3.720 3.635 3.027 3.986 0.266 9 0 "[ . 1 . 2]" 1
492 2 10 CYS HA 2 14 LYS QG . 2.520 3.660 3.966 3.401 4.491 0.831 13 2 "[ -. 1 + . 2]" 1
493 2 14 LYS HA 2 14 LYS QG . 2.660 4.850 2.901 2.677 3.157 . 0 0 "[ . 1 . 2]" 1
494 2 14 LYS H 2 14 LYS QG . 2.650 5.760 2.375 2.067 2.659 0.583 13 1 "[ . 1 + . 2]" 1
495 2 15 SER H 2 15 SER HA . . 2.820 2.821 2.801 2.837 0.017 8 0 "[ . 1 . 2]" 1
496 2 15 SER H 2 15 SER HB2 . . 3.530 2.558 2.480 2.614 . 0 0 "[ . 1 . 2]" 1
497 2 14 LYS HA 2 15 SER H . 2.750 5.050 3.538 3.529 3.546 . 0 0 "[ . 1 . 2]" 1
498 2 14 LYS H 2 15 SER H . . 3.420 2.684 2.575 2.836 . 0 0 "[ . 1 . 2]" 1
499 2 14 LYS QB 2 15 SER H . . 2.770 2.431 2.202 2.594 . 0 0 "[ . 1 . 2]" 1
500 2 14 LYS QG 2 15 SER H . 2.830 7.210 4.060 3.678 4.227 . 0 0 "[ . 1 . 2]" 1
501 2 16 MET H 2 16 MET HA . . 2.750 2.838 2.801 2.860 0.110 7 0 "[ . 1 . 2]" 1
502 1 26 ILE MG 2 16 MET QB . 3.150 4.930 1.967 1.865 2.102 1.285 4 20 [***+*************-**] 1
503 2 16 MET HA 2 16 MET QB . . 2.750 2.395 2.367 2.460 . 0 0 "[ . 1 . 2]" 1
504 2 16 MET H 2 16 MET QB . 2.380 3.140 2.226 2.198 2.244 0.182 17 0 "[ . 1 . 2]" 1
505 1 27 ALA H 2 16 MET QB . . 4.120 4.054 3.604 4.345 0.225 4 0 "[ . 1 . 2]" 1
506 2 15 SER HA 2 16 MET H . 2.090 3.870 3.530 3.516 3.546 . 0 0 "[ . 1 . 2]" 1
507 2 15 SER H 2 16 MET H . . 3.300 2.725 2.672 2.821 . 0 0 "[ . 1 . 2]" 1
508 1 18 TRP HB3 2 16 MET ME . 2.370 4.780 2.747 2.081 5.229 0.449 4 0 "[ . 1 . 2]" 1
509 2 16 MET QB 2 16 MET ME . 2.190 3.060 2.072 2.018 2.260 0.172 6 0 "[ . 1 . 2]" 1
510 2 16 MET HA 2 16 MET QG . 2.170 3.140 2.448 2.379 2.514 . 0 0 "[ . 1 . 2]" 1
511 2 16 MET H 2 16 MET QG . 3.430 6.230 3.976 3.946 3.989 . 0 0 "[ . 1 . 2]" 1
512 2 17 ALA H 2 17 ALA HA . . 3.120 2.805 2.771 2.826 . 0 0 "[ . 1 . 2]" 1
513 2 14 LYS HA 2 17 ALA H . 2.130 4.280 3.343 3.096 3.684 . 0 0 "[ . 1 . 2]" 1
514 2 16 MET HA 2 17 ALA H . 2.390 4.090 3.512 3.502 3.527 . 0 0 "[ . 1 . 2]" 1
515 2 16 MET QB 2 17 ALA H . 2.300 3.670 2.473 2.365 2.550 . 0 0 "[ . 1 . 2]" 1
516 2 16 MET QG 2 17 ALA H . 3.280 6.150 3.637 3.469 3.967 . 0 0 "[ . 1 . 2]" 1
517 2 14 LYS HA 2 17 ALA MB . 2.120 5.610 2.437 2.162 2.702 . 0 0 "[ . 1 . 2]" 1
518 2 17 ALA H 2 17 ALA MB . . 3.000 2.232 2.217 2.242 . 0 0 "[ . 1 . 2]" 1
519 2 18 LYS H 2 18 LYS HA . 2.260 2.980 2.758 2.736 2.814 . 0 0 "[ . 1 . 2]" 1
520 2 18 LYS H 2 18 LYS HB2 . . 2.320 2.629 2.532 2.711 0.391 12 0 "[ . 1 . 2]" 1
521 2 18 LYS HA 2 18 LYS HB3 . 2.280 2.920 2.483 2.430 2.554 . 0 0 "[ . 1 . 2]" 1
522 2 16 MET QB 2 18 LYS H . 2.560 5.700 4.672 4.590 4.974 . 0 0 "[ . 1 . 2]" 1
523 2 17 ALA HA 2 18 LYS H . 2.440 5.220 3.496 3.475 3.546 . 0 0 "[ . 1 . 2]" 1
524 2 17 ALA H 2 18 LYS H . 2.240 3.240 2.732 2.644 2.854 . 0 0 "[ . 1 . 2]" 1
525 2 17 ALA MB 2 18 LYS H . 2.300 4.210 2.682 2.357 2.832 . 0 0 "[ . 1 . 2]" 1
526 2 19 LYS HA 2 19 LYS HB2 . 2.600 3.290 2.511 2.462 2.537 0.138 15 0 "[ . 1 . 2]" 1
527 2 19 LYS H 2 19 LYS HB2 . 2.560 5.150 3.212 2.642 3.894 . 0 0 "[ . 1 . 2]" 1
528 2 19 LYS HA 2 19 LYS HB3 . 2.950 5.120 2.921 2.392 3.052 0.558 20 4 "[ . 1 * - *+]" 1
529 2 19 LYS H 2 19 LYS HB3 . 2.130 2.810 2.838 2.511 3.325 0.515 15 1 "[ . 1 + 2]" 1
530 1 24 GLY QA 2 19 LYS QG . 2.350 3.850 3.781 2.221 4.752 0.902 8 5 "[ *. *+ * - . 2]" 1
531 2 19 LYS H 2 19 LYS QG . 2.300 3.620 3.744 1.852 4.215 0.595 10 12 "[***** ***+* *.- 2]" 1
532 2 18 LYS HA 2 19 LYS H . 2.780 3.930 3.546 3.522 3.589 . 0 0 "[ . 1 . 2]" 1
533 2 18 LYS H 2 19 LYS H . 2.080 2.590 2.937 2.804 3.025 0.435 18 0 "[ . 1 . 2]" 1
534 1 22 CYS HA 2 20 CYS HA . 3.110 4.180 2.193 1.942 3.057 1.168 1 17 "[+**** ****** -*** **]" 1
535 2 19 LYS HB3 2 20 CYS H . 2.900 5.170 4.433 4.252 4.663 . 0 0 "[ . 1 . 2]" 1
536 2 19 LYS H 2 20 CYS H . 2.150 2.620 3.002 2.751 3.284 0.664 13 3 "[ .- 1 + . *2]" 1
537 2 20 CYS H 2 20 CYS QB . 2.350 3.140 2.477 2.400 2.635 . 0 0 "[ . 1 . 2]" 1
538 2 21 GLU H 2 21 GLU HA . 2.290 2.950 2.914 2.816 2.958 0.008 16 0 "[ . 1 . 2]" 1
539 2 21 GLU HA 2 21 GLU QB . 2.440 2.850 2.351 2.292 2.435 0.148 11 0 "[ . 1 . 2]" 1
540 2 21 GLU H 2 21 GLU QB . 2.530 3.440 2.497 2.348 2.643 0.182 6 0 "[ . 1 . 2]" 1
541 2 21 GLU HA 2 21 GLU HG2 . 2.930 4.470 3.162 2.638 3.780 0.292 18 0 "[ . 1 . 2]" 1
542 2 21 GLU QB 2 21 GLU HG2 . 2.330 3.070 2.312 2.184 2.357 0.146 13 0 "[ . 1 . 2]" 1
543 2 21 GLU HA 2 21 GLU HG3 . 2.150 3.470 3.309 2.522 3.890 0.420 3 0 "[ . 1 . 2]" 1
544 2 20 CYS HA 2 21 GLU H . 2.810 4.080 2.406 2.269 2.627 0.541 12 2 "[ - . 1 + . 2]" 1
545 2 20 CYS QB 2 21 GLU H . 2.890 4.250 2.122 1.797 2.432 1.093 13 19 "[*-********* +*******]" 1
546 2 22 GLY H 2 22 GLY HA2 . 2.350 2.720 2.396 2.299 2.837 0.117 18 0 "[ . 1 . 2]" 1
547 2 22 GLY H 2 22 GLY HA3 . 2.360 2.640 2.706 2.303 2.833 0.193 12 0 "[ . 1 . 2]" 1
548 2 21 GLU HA 2 22 GLY H . . 2.290 2.331 2.225 2.682 0.392 15 0 "[ . 1 . 2]" 1
549 2 21 GLU QB 2 22 GLY H . 3.010 3.530 2.452 1.845 2.736 1.165 15 8 "[ .* 1 *-+* ***]" 1
550 2 21 GLU H 2 22 GLY H . 3.520 5.480 4.566 4.452 4.611 . 0 0 "[ . 1 . 2]" 1
551 2 20 CYS QB 2 24 ILE HB . 2.270 3.970 2.217 1.947 3.356 0.323 20 0 "[ . 1 . 2]" 1
552 2 24 ILE H 2 24 ILE HB . . 4.170 2.288 2.177 2.466 . 0 0 "[ . 1 . 2]" 1
553 1 18 TRP HA 2 24 ILE HG12 . . 5.890 4.807 4.121 6.375 0.485 13 0 "[ . 1 . 2]" 1
554 1 18 TRP HD1 2 24 ILE HG12 . . 6.070 4.877 4.592 5.590 . 0 0 "[ . 1 . 2]" 1
555 2 24 ILE HA 2 24 ILE HG12 . . 4.500 3.010 2.862 3.245 . 0 0 "[ . 1 . 2]" 1
556 2 24 ILE H 2 24 ILE HG12 . . 4.300 2.382 2.135 2.527 . 0 0 "[ . 1 . 2]" 1
557 2 24 ILE HB 2 24 ILE HG13 . 2.180 5.860 2.454 2.426 2.542 . 0 0 "[ . 1 . 2]" 1
558 2 20 CYS QB 2 24 ILE H . 2.580 5.830 3.656 3.273 4.624 . 0 0 "[ . 1 . 2]" 1
559 2 21 GLU QB 2 24 ILE H . 2.560 4.870 4.414 2.161 5.364 0.494 12 0 "[ . 1 . 2]" 1
560 2 23 SER H 2 24 ILE H . 2.040 3.510 2.335 2.019 3.122 0.021 4 0 "[ . 1 . 2]" 1
561 1 17 PRO QG 2 24 ILE MD . 2.660 7.350 4.636 4.053 5.535 . 0 0 "[ . 1 . 2]" 1
562 1 18 TRP HD1 2 24 ILE MD . . 4.290 2.184 1.991 3.211 . 0 0 "[ . 1 . 2]" 1
563 1 21 LYS HB3 2 24 ILE MD . 3.090 7.970 3.198 2.704 5.129 0.386 17 0 "[ . 1 . 2]" 1
564 2 24 ILE HA 2 24 ILE MD . . 3.910 2.007 1.949 2.076 . 0 0 "[ . 1 . 2]" 1
565 2 24 ILE MD 2 24 ILE MG . 3.290 6.540 2.167 2.105 2.395 1.185 13 20 [************+******-] 1
566 1 18 TRP HB3 2 24 ILE MG . 2.080 3.840 2.184 2.011 2.971 0.069 16 0 "[ . 1 . 2]" 1
567 1 18 TRP HD1 2 24 ILE MG . 2.580 7.840 2.117 1.988 2.482 0.592 7 12 "[*** . + *** *-. ***]" 1
568 2 21 GLU QB 2 24 ILE MG . 2.840 4.520 4.697 3.373 5.364 0.844 20 7 "[-***. 1 * .* +]" 1
569 2 24 ILE HA 2 24 ILE MG . 2.120 3.990 2.625 2.493 2.718 . 0 0 "[ . 1 . 2]" 1
570 2 24 ILE HG12 2 24 ILE MG . 2.240 4.810 3.244 3.202 3.254 . 0 0 "[ . 1 . 2]" 1
571 2 24 ILE H 2 24 ILE MG . 2.310 4.210 3.721 3.665 3.789 . 0 0 "[ . 1 . 2]" 1
572 2 24 ILE MG 2 25 ALA HA . 2.520 5.050 3.421 3.241 3.720 . 0 0 "[ . 1 . 2]" 1
573 2 24 ILE HA 2 25 ALA H . 2.150 5.660 3.511 3.480 3.546 . 0 0 "[ . 1 . 2]" 1
574 2 24 ILE HB 2 25 ALA H . . 3.710 2.635 2.349 2.913 . 0 0 "[ . 1 . 2]" 1
575 2 24 ILE H 2 25 ALA H . . 3.410 2.586 2.386 2.898 . 0 0 "[ . 1 . 2]" 1
576 2 20 CYS QB 2 25 ALA MB . 2.470 4.240 2.753 2.037 3.571 0.433 4 0 "[ . 1 . 2]" 1
577 2 25 ALA H 2 25 ALA MB . . 2.450 2.215 2.193 2.241 . 0 0 "[ . 1 . 2]" 1
578 2 26 THR H 2 26 THR HA . 2.330 3.510 2.817 2.791 2.835 . 0 0 "[ . 1 . 2]" 1
579 2 26 THR HA 2 26 THR HB . 2.680 4.200 3.053 3.049 3.055 . 0 0 "[ . 1 . 2]" 1
580 2 26 THR H 2 26 THR HB . 2.160 2.690 2.552 2.524 2.592 . 0 0 "[ . 1 . 2]" 1
581 2 25 ALA MB 2 26 THR H . 2.820 5.590 2.408 2.286 2.655 0.534 17 1 "[ . 1 . + 2]" 1
582 2 26 THR HA 2 26 THR MG . 2.460 3.540 2.447 2.427 2.468 0.033 14 0 "[ . 1 . 2]" 1
583 2 27 MET H 2 27 MET HA . 2.170 2.930 2.820 2.789 2.835 . 0 0 "[ . 1 . 2]" 1
584 2 27 MET H 2 27 MET HB2 . 2.170 2.970 2.513 2.403 2.623 . 0 0 "[ . 1 . 2]" 1
585 2 27 MET HA 2 27 MET HB3 . 2.150 3.160 2.504 2.441 2.569 . 0 0 "[ . 1 . 2]" 1
586 2 27 MET H 2 27 MET HB3 . 2.400 4.230 3.613 3.598 3.630 . 0 0 "[ . 1 . 2]" 1
587 1 18 TRP HZ2 2 27 MET QG . 2.820 7.460 5.141 4.162 5.661 . 0 0 "[ . 1 . 2]" 1
588 2 27 MET HA 2 27 MET QG . 2.480 2.950 2.633 2.318 3.030 0.162 6 0 "[ . 1 . 2]" 1
589 2 27 MET HB2 2 27 MET QG . 2.320 3.100 2.317 2.184 2.403 0.136 19 0 "[ . 1 . 2]" 1
590 2 27 MET H 2 27 MET QG . 2.660 3.010 2.547 2.016 3.344 0.644 11 7 "[ . * -1+ **** 2]" 1
591 2 24 ILE HA 2 27 MET QG . 2.230 4.450 3.213 2.495 4.319 . 0 0 "[ . 1 . 2]" 1
592 2 27 MET HB3 2 27 MET QG . 2.230 2.930 2.302 2.171 2.404 0.059 10 0 "[ . 1 . 2]" 1
593 2 26 THR HB 2 27 MET H . 2.180 2.890 2.391 2.273 2.504 . 0 0 "[ . 1 . 2]" 1
594 2 26 THR H 2 27 MET H . 2.430 3.160 2.793 2.731 2.880 . 0 0 "[ . 1 . 2]" 1
595 2 26 THR MG 2 27 MET H . 3.750 6.320 3.382 3.276 3.494 0.474 13 0 "[ . 1 . 2]" 1
596 1 18 TRP HH2 2 28 ILE HA . 2.100 4.970 4.375 3.377 6.362 1.392 4 1 "[ +. 1 . 2]" 1
597 1 18 TRP HZ3 2 28 ILE HB . 2.160 7.950 7.003 6.004 7.883 . 0 0 "[ . 1 . 2]" 1
598 2 25 ALA HA 2 28 ILE HB . . 3.570 3.006 2.530 3.528 . 0 0 "[ . 1 . 2]" 1
599 2 28 ILE H 2 28 ILE HB . . 3.700 2.468 2.394 2.680 . 0 0 "[ . 1 . 2]" 1
600 2 25 ALA HA 2 28 ILE H . . 3.720 3.825 3.323 4.022 0.302 4 0 "[ . 1 . 2]" 1
601 2 27 MET H 2 28 ILE H . . 3.270 2.816 2.717 2.911 . 0 0 "[ . 1 . 2]" 1
602 1 18 TRP HE3 2 28 ILE MD . . 3.490 3.418 2.351 4.283 0.793 18 6 "[ * . * *- * + 2]" 1
603 2 28 ILE HA 2 28 ILE MD . 2.100 4.820 3.179 2.044 3.931 0.056 1 0 "[ . 1 . 2]" 1
604 2 28 ILE HB 2 28 ILE MD . 2.050 4.160 2.697 2.357 3.272 . 0 0 "[ . 1 . 2]" 1
605 2 28 ILE H 2 28 ILE MD . 2.480 5.320 3.196 1.802 3.550 0.678 8 2 "[ - + 1 . 2]" 1
606 2 29 LYS H 2 29 LYS HB2 . . 2.890 2.398 2.132 2.513 . 0 0 "[ . 1 . 2]" 1
607 2 26 THR HA 2 29 LYS HB3 . . 2.980 3.154 2.773 3.573 0.593 16 1 "[ . 1 .+ 2]" 1
608 2 29 LYS HA 2 29 LYS HB3 . 2.500 4.010 3.046 3.011 3.055 . 0 0 "[ . 1 . 2]" 1
609 2 29 LYS H 2 29 LYS HB3 . . 4.230 2.590 2.428 2.955 . 0 0 "[ . 1 . 2]" 1
610 2 28 ILE HA 2 29 LYS H . 2.070 6.420 3.536 3.523 3.552 . 0 0 "[ . 1 . 2]" 1
611 2 28 ILE HB 2 29 LYS H . . 4.200 2.357 2.241 2.522 . 0 0 "[ . 1 . 2]" 1
612 2 28 ILE H 2 29 LYS H . 2.010 4.540 2.848 2.731 3.015 . 0 0 "[ . 1 . 2]" 1
613 2 28 ILE MD 2 29 LYS H . 3.210 7.790 4.395 3.825 4.694 . 0 0 "[ . 1 . 2]" 1
614 2 30 LYS H 2 30 LYS HA . 2.640 3.960 2.805 2.756 2.865 . 0 0 "[ . 1 . 2]" 1
615 2 31 LYS H 2 31 LYS HA . 2.190 3.110 2.823 2.777 2.885 . 0 0 "[ . 1 . 2]" 1
616 2 31 LYS H 2 31 LYS HB2 . . 2.860 2.458 2.220 2.658 . 0 0 "[ . 1 . 2]" 1
617 1 18 TRP HH2 2 31 LYS HB3 . 2.260 5.830 4.002 3.038 6.552 0.722 4 1 "[ +. 1 . 2]" 1
618 1 18 TRP HZ3 2 31 LYS HB3 . 2.020 6.420 5.592 4.829 6.728 0.308 2 0 "[ . 1 . 2]" 1
619 2 13 LEU QD 2 31 LYS HB3 . 2.070 7.180 5.172 4.189 6.108 . 0 0 "[ . 1 . 2]" 1
620 2 31 LYS H 2 31 LYS HB3 . . 3.130 3.599 3.525 3.637 0.507 16 5 "[ . 1* .+* *-]" 1
621 2 28 ILE HA 2 31 LYS H . 2.270 5.370 4.018 3.645 4.398 . 0 0 "[ . 1 . 2]" 1
622 1 18 TRP HH2 2 31 LYS QG . 2.460 4.230 2.799 1.967 5.167 0.937 4 1 "[ +. 1 . 2]" 1
623 2 31 LYS HA 2 31 LYS QG . 3.120 4.320 2.708 2.268 3.154 0.852 17 10 "[ ***. *- * *.*+ *]" 1
624 2 32 CYS H 2 32 CYS HB2 . . 2.360 2.451 2.271 2.807 0.447 20 0 "[ . 1 . 2]" 1
625 2 10 CYS HB3 2 32 CYS HB3 . 2.170 4.070 3.407 2.469 5.045 0.975 9 4 "[ . +1- . **2]" 1
626 2 31 LYS HA 2 32 CYS H . 2.400 3.460 3.549 3.520 3.572 0.112 9 0 "[ . 1 . 2]" 1
627 2 31 LYS HB3 2 32 CYS H . . 3.280 3.288 2.783 3.769 0.489 19 0 "[ . 1 . 2]" 1
628 2 31 LYS H 2 32 CYS H . . 3.220 2.830 2.630 3.046 . 0 0 "[ . 1 . 2]" 1
629 2 29 LYS HA 2 33 ASP H . 2.350 4.360 4.647 2.902 6.545 2.185 9 8 "[* .** +1 ***. -]" 1
630 2 33 ASP H 2 33 ASP QB . 2.730 4.580 2.877 2.246 3.440 0.484 12 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 9
_Distance_constraint_stats_list.Viol_count 17
_Distance_constraint_stats_list.Viol_total 7.348
_Distance_constraint_stats_list.Viol_max 0.070
_Distance_constraint_stats_list.Viol_rms 0.0077
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0216
_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 12 CYS 0.100 0.070 16 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.100 0.070 16 0 "[ . 1 . 2]"
2 10 CYS 0.268 0.030 1 0 "[ . 1 . 2]"
2 20 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 CYS 0.268 0.030 1 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 22 CYS SG 2 20 CYS SG . . 2.100 2.020 2.017 2.024 . 0 0 "[ . 1 . 2]" 2
2 1 22 CYS SG 2 20 CYS CB . 3.000 3.100 3.034 3.008 3.052 . 0 0 "[ . 1 . 2]" 2
3 1 22 CYS CB 2 20 CYS SG . 3.000 3.100 3.029 3.014 3.061 . 0 0 "[ . 1 . 2]" 2
4 1 12 CYS SG 1 34 CYS SG . . 2.100 2.020 2.016 2.022 . 0 0 "[ . 1 . 2]" 2
5 1 12 CYS SG 1 34 CYS CB . 3.000 3.100 3.055 2.984 3.083 0.016 17 0 "[ . 1 . 2]" 2
6 1 12 CYS CB 1 34 CYS SG . 3.000 3.100 3.011 2.930 3.085 0.070 16 0 "[ . 1 . 2]" 2
7 2 10 CYS SG 2 32 CYS SG . . 2.100 2.020 2.018 2.023 . 0 0 "[ . 1 . 2]" 2
8 2 10 CYS SG 2 32 CYS CB . 3.000 3.100 3.017 2.970 3.090 0.030 1 0 "[ . 1 . 2]" 2
9 2 10 CYS CB 2 32 CYS SG . 3.000 3.100 3.012 2.973 3.069 0.027 6 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 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 31 LYS QE 1 35 GLY H . 2.390 . 5.608 4.270 6.643 . 0 0 "[ . 1 . 2]" 3
2 1 24 GLY H 1 25 ASP H . 3.500 . 4.464 4.383 4.536 . 0 0 "[ . 1 . 2]" 3
3 1 22 CYS H 1 23 SER H . 3.500 . 4.396 4.336 4.618 . 0 0 "[ . 1 . 2]" 3
4 1 23 SER H 1 24 GLY H . 3.500 . 4.381 4.361 4.413 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 1072
_Distance_constraint_stats_list.Viol_total 4983.552
_Distance_constraint_stats_list.Viol_max 1.490
_Distance_constraint_stats_list.Viol_rms 0.2344
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2076
_Distance_constraint_stats_list.Viol_average_violations_only 0.2324
_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 4 PRO 11.285 0.713 12 2 "[ . -1 + . 2]"
1 5 LYS 6.889 0.623 9 1 "[ . +1 . 2]"
1 6 LYS 5.143 0.311 3 0 "[ . 1 . 2]"
1 7 ILE 0.831 0.124 8 0 "[ . 1 . 2]"
1 8 TRP 22.323 1.021 8 6 "[ . *+-* ** . 2]"
1 9 GLU 6.889 0.623 9 1 "[ . +1 . 2]"
1 10 THR 5.143 0.311 3 0 "[ . 1 . 2]"
1 11 VAL 2.256 0.124 8 0 "[ . 1 . 2]"
1 12 CYS 21.634 1.490 4 9 "[ *+.-** * **. *]"
1 15 VAL 6.550 0.842 4 2 "[ +. 1 - . 2]"
1 16 GLU 10.596 1.490 4 6 "[ *+.- 1 **. *]"
1 19 ALA 5.125 0.842 4 2 "[ +. 1 - . 2]"
1 24 GLY 8.350 0.293 11 0 "[ . 1 . 2]"
1 25 ASP 3.198 0.268 13 0 "[ . 1 . 2]"
1 26 ILE 3.307 0.184 4 0 "[ . 1 . 2]"
1 27 ALA 7.219 0.339 20 0 "[ . 1 . 2]"
1 28 THR 15.316 0.360 14 0 "[ . 1 . 2]"
1 29 TYR 7.322 0.356 8 0 "[ . 1 . 2]"
1 30 ILE 15.472 0.580 8 2 "[ . + * . 2]"
1 31 LYS 7.219 0.339 20 0 "[ . 1 . 2]"
1 32 ARG 6.966 0.360 14 0 "[ . 1 . 2]"
1 33 GLU 4.124 0.356 8 0 "[ . 1 . 2]"
1 34 CYS 12.165 0.580 8 2 "[ . + * . 2]"
2 3 THR 25.839 1.401 7 13 "[** -.*+ *1* ******]"
2 4 ILE 10.849 0.549 6 2 "[ .+- 1 . 2]"
2 5 VAL 6.982 0.455 4 0 "[ . 1 . 2]"
2 6 LYS 2.166 0.250 7 0 "[ . 1 . 2]"
2 7 LEU 25.839 1.401 7 13 "[** -.*+ *1* ******]"
2 8 THR 10.849 0.549 6 2 "[ .+- 1 . 2]"
2 9 ILE 12.954 0.455 4 0 "[ . 1 . 2]"
2 10 CYS 4.464 0.271 13 0 "[ . 1 . 2]"
2 11 PRO 11.152 0.728 13 2 "[ . 1 + . - 2]"
2 12 THR 7.405 0.377 18 0 "[ . 1 . 2]"
2 13 LEU 6.670 0.266 19 0 "[ . 1 . 2]"
2 14 LYS 2.298 0.271 13 0 "[ . 1 . 2]"
2 15 SER 11.152 0.728 13 2 "[ . 1 + . - 2]"
2 16 MET 7.405 0.377 18 0 "[ . 1 . 2]"
2 17 ALA 0.699 0.105 4 0 "[ . 1 . 2]"
2 23 SER 32.285 1.425 5 18 "[****+ -********** **]"
2 24 ILE 6.691 0.668 8 2 "[ - + 1 . 2]"
2 25 ALA 9.215 0.505 14 1 "[ . 1 +. 2]"
2 26 THR 5.230 0.468 11 0 "[ . 1 . 2]"
2 27 MET 43.239 1.425 5 18 "[****+ -********** **]"
2 28 ILE 20.471 0.941 16 7 "[ * ** * *+- 2]"
2 29 LYS 9.215 0.505 14 1 "[ . 1 +. 2]"
2 30 LYS 5.230 0.468 11 0 "[ . 1 . 2]"
2 31 LYS 10.954 0.751 16 3 "[ - . 1* .+ 2]"
2 32 CYS 13.780 0.941 16 5 "[ . * * *+- 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 PRO O 1 8 TRP H . . 2.000 2.303 2.179 2.713 0.713 12 2 "[ . -1 + . 2]" 4
2 1 4 PRO O 1 8 TRP N . 2.700 3.000 3.261 3.132 3.660 0.660 12 2 "[ . -1 + . 2]" 4
3 1 5 LYS O 1 9 GLU H . . 2.000 2.202 2.059 2.623 0.623 9 1 "[ . +1 . 2]" 4
4 1 5 LYS O 1 9 GLU N . 2.700 3.000 3.141 2.989 3.544 0.544 9 1 "[ . +1 . 2]" 4
5 1 6 LYS O 1 10 THR H . . 2.000 2.168 2.095 2.311 0.311 3 0 "[ . 1 . 2]" 4
6 1 6 LYS O 1 10 THR N . 2.700 3.000 3.088 2.976 3.257 0.257 3 0 "[ . 1 . 2]" 4
7 1 7 ILE O 1 11 VAL H . . 2.000 2.029 1.982 2.124 0.124 8 0 "[ . 1 . 2]" 4
8 1 7 ILE O 1 11 VAL N . 2.700 3.000 2.974 2.918 3.082 0.082 8 0 "[ . 1 . 2]" 4
9 1 8 TRP O 1 12 CYS H . . 2.000 2.400 2.162 3.021 1.021 8 4 "[ . *+ - * . 2]" 4
10 1 8 TRP O 1 12 CYS N . 2.700 3.000 3.132 2.809 3.392 0.392 7 0 "[ . 1 . 2]" 4
11 1 11 VAL O 1 15 VAL H . . 2.000 2.051 2.007 2.101 0.101 8 0 "[ . 1 . 2]" 4
12 1 11 VAL O 1 15 VAL N . 2.700 3.000 3.005 2.837 3.068 0.068 7 0 "[ . 1 . 2]" 4
13 1 12 CYS O 1 16 GLU H . . 2.000 2.462 2.153 3.490 1.490 4 6 "[ *+.- 1 **. *]" 4
14 1 12 CYS O 1 16 GLU N . 2.700 3.000 3.026 2.816 3.446 0.446 4 0 "[ . 1 . 2]" 4
15 1 15 VAL O 1 19 ALA H . . 2.000 2.165 2.005 2.842 0.842 4 2 "[ +. 1 - . 2]" 4
16 1 15 VAL O 1 19 ALA N . 2.700 3.000 3.081 2.904 3.728 0.728 4 1 "[ +. 1 . 2]" 4
17 1 24 GLY O 1 28 THR H . . 2.000 2.234 2.137 2.293 0.293 11 0 "[ . 1 . 2]" 4
18 1 24 GLY O 1 28 THR N . 2.700 3.000 3.184 3.081 3.246 0.246 10 0 "[ . 1 . 2]" 4
19 1 25 ASP O 1 29 TYR H . . 2.000 2.129 2.075 2.268 0.268 13 0 "[ . 1 . 2]" 4
20 1 25 ASP O 1 29 TYR N . 2.700 3.000 3.015 2.922 3.203 0.203 13 0 "[ . 1 . 2]" 4
21 1 26 ILE O 1 30 ILE H . . 2.000 2.095 2.026 2.184 0.184 4 0 "[ . 1 . 2]" 4
22 1 26 ILE O 1 30 ILE N . 2.700 3.000 3.069 2.974 3.154 0.154 4 0 "[ . 1 . 2]" 4
23 1 27 ALA O 1 31 LYS H . . 2.000 2.216 2.134 2.339 0.339 20 0 "[ . 1 . 2]" 4
24 1 27 ALA O 1 31 LYS N . 2.700 3.000 3.145 3.070 3.261 0.261 20 0 "[ . 1 . 2]" 4
25 1 28 THR O 1 32 ARG H . . 2.000 2.222 2.106 2.360 0.360 14 0 "[ . 1 . 2]" 4
26 1 28 THR O 1 32 ARG N . 2.700 3.000 3.127 3.002 3.283 0.283 5 0 "[ . 1 . 2]" 4
27 1 29 TYR O 1 33 GLU H . . 2.000 2.150 2.039 2.356 0.356 8 0 "[ . 1 . 2]" 4
28 1 29 TYR O 1 33 GLU N . 2.700 3.000 3.054 2.977 3.220 0.220 8 0 "[ . 1 . 2]" 4
29 1 30 ILE O 1 34 CYS H . . 2.000 2.323 2.112 2.580 0.580 8 2 "[ . + - . 2]" 4
30 1 30 ILE O 1 34 CYS N . 2.700 3.000 3.285 3.035 3.525 0.525 8 1 "[ . + 1 . 2]" 4
31 2 3 THR O 2 7 LEU H . . 2.000 2.673 2.060 3.401 1.401 7 13 "[** -.*+ *1* ******]" 4
32 2 3 THR O 2 7 LEU N . 2.700 3.000 3.619 2.996 4.355 1.355 7 13 "[** -.*+ *1* ******]" 4
33 2 4 ILE O 2 8 THR H . . 2.000 2.320 2.157 2.549 0.549 6 2 "[ .+- 1 . 2]" 4
34 2 4 ILE O 2 8 THR N . 2.700 3.000 3.221 2.981 3.462 0.462 6 0 "[ . 1 . 2]" 4
35 2 5 VAL O 2 9 ILE H . . 2.000 2.197 2.027 2.455 0.455 4 0 "[ . 1 . 2]" 4
36 2 5 VAL O 2 9 ILE N . 2.700 3.000 3.149 2.949 3.419 0.419 4 0 "[ . 1 . 2]" 4
37 2 6 LYS O 2 10 CYS H . . 2.000 2.101 2.012 2.250 0.250 7 0 "[ . 1 . 2]" 4
38 2 6 LYS O 2 10 CYS N . 2.700 3.000 2.941 2.827 3.136 0.136 7 0 "[ . 1 . 2]" 4
39 2 9 ILE O 2 13 LEU H . . 2.000 2.173 2.097 2.266 0.266 19 0 "[ . 1 . 2]" 4
40 2 9 ILE O 2 13 LEU N . 2.700 3.000 3.126 3.046 3.235 0.235 19 0 "[ . 1 . 2]" 4
41 2 10 CYS O 2 14 LYS H . . 2.000 2.099 2.025 2.271 0.271 13 0 "[ . 1 . 2]" 4
42 2 10 CYS O 2 14 LYS N . 2.700 3.000 2.968 2.858 3.092 0.092 18 0 "[ . 1 . 2]" 4
43 2 11 PRO O 2 15 SER H . . 2.000 2.304 2.113 2.728 0.728 13 2 "[ . 1 + . - 2]" 4
44 2 11 PRO O 2 15 SER N . 2.700 3.000 3.253 3.053 3.673 0.673 13 2 "[ . 1 + . - 2]" 4
45 2 12 THR O 2 16 MET H . . 2.000 2.220 2.088 2.377 0.377 18 0 "[ . 1 . 2]" 4
46 2 12 THR O 2 16 MET N . 2.700 3.000 3.150 3.025 3.346 0.346 17 0 "[ . 1 . 2]" 4
47 2 13 LEU O 2 17 ALA H . . 2.000 2.034 1.988 2.105 0.105 4 0 "[ . 1 . 2]" 4
48 2 13 LEU O 2 17 ALA N . 2.700 3.000 2.877 2.783 2.998 . 0 0 "[ . 1 . 2]" 4
49 2 23 SER O 2 27 MET H . . 2.000 2.843 2.112 3.425 1.425 5 18 "[****+ *******-*** **]" 4
50 2 23 SER O 2 27 MET N . 2.700 3.000 3.771 3.075 4.303 1.303 13 16 "[***** -**** + *** **]" 4
51 2 24 ILE O 2 28 ILE H . . 2.000 2.187 2.042 2.668 0.668 8 2 "[ - + 1 . 2]" 4
52 2 24 ILE O 2 28 ILE N . 2.700 3.000 3.148 3.017 3.590 0.590 8 2 "[ - + 1 . 2]" 4
53 2 25 ALA O 2 29 LYS H . . 2.000 2.257 2.097 2.505 0.505 14 1 "[ . 1 +. 2]" 4
54 2 25 ALA O 2 29 LYS N . 2.700 3.000 3.203 3.011 3.476 0.476 14 0 "[ . 1 . 2]" 4
55 2 26 THR O 2 30 LYS H . . 2.000 2.171 2.074 2.468 0.468 11 0 "[ . 1 . 2]" 4
56 2 26 THR O 2 30 LYS N . 2.700 3.000 3.073 2.884 3.422 0.422 11 0 "[ . 1 . 2]" 4
57 2 27 MET O 2 31 LYS H . . 2.000 2.294 2.070 2.751 0.751 16 3 "[ - . 1* .+ 2]" 4
58 2 27 MET O 2 31 LYS N . 2.700 3.000 3.254 3.011 3.671 0.671 16 1 "[ . 1 .+ 2]" 4
59 2 28 ILE O 2 32 CYS H . . 2.000 2.373 2.096 2.941 0.941 16 5 "[ . * * *+- 2]" 4
60 2 28 ILE O 2 32 CYS N . 2.700 3.000 3.316 2.999 3.917 0.917 16 4 "[ . * *+- 2]" 4
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