NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
481250 |
1bct   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bct
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 347
_Distance_constraint_stats_list.Viol_count 765
_Distance_constraint_stats_list.Viol_total 5178.106
_Distance_constraint_stats_list.Viol_max 5.180
_Distance_constraint_stats_list.Viol_rms 0.3623
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0761
_Distance_constraint_stats_list.Viol_average_violations_only 0.4835
_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 8 THR 0.183 0.142 8 0 "[ . 1 ]"
1 9 PHE 1.664 0.485 3 0 "[ . 1 ]"
1 10 LYS 1.209 0.145 3 0 "[ . 1 ]"
1 11 VAL 0.821 0.240 12 0 "[ . 1 ]"
1 12 LEU 3.720 0.580 12 2 "[ . 1-+ ]"
1 13 ARG 3.379 0.314 11 0 "[ . 1 ]"
1 14 ASN 2.853 0.314 11 0 "[ . 1 ]"
1 15 VAL 0.043 0.043 3 0 "[ . 1 ]"
1 16 THR 52.886 5.074 11 12 "[- ***** **+***]"
1 17 VAL 12.912 1.716 5 9 "[-* *+*** 1* * ]"
1 18 VAL 5.501 0.407 4 0 "[ . 1 ]"
1 19 LEU 100.535 5.180 5 13 "[****+** -*****]"
1 20 TRP 163.364 5.180 5 14 [***-+*********]
1 21 SER 21.453 2.445 4 7 "[ * +.**- 1* * ]"
1 22 ALA 0.261 0.041 4 0 "[ . 1 ]"
1 23 TYR 6.232 0.532 5 1 "[ + 1 ]"
1 24 PRO 14.344 0.751 10 5 "[* -* + *]"
1 25 VAL 4.895 0.775 13 1 "[ . 1 + ]"
1 26 VAL 4.766 1.381 13 2 "[ - 1 + ]"
1 27 TRP 28.729 2.379 10 14 [*********+***-]
1 28 LEU 30.590 2.379 10 14 [***-*****+****]
1 29 ILE 9.395 1.381 13 4 "[ ** - 1 + ]"
1 30 GLY 6.748 0.420 10 0 "[ . 1 ]"
1 31 SER 6.674 0.420 10 0 "[ . 1 ]"
1 32 GLU 7.101 1.305 3 3 "[ *+ . - 1 ]"
1 33 GLY 0.929 0.148 12 0 "[ . 1 ]"
1 34 ALA 1.677 0.790 9 1 "[ . +1 ]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 36 ILE 13.809 1.955 12 6 "[* . -**1 +* ]"
1 37 VAL 13.696 0.759 5 10 "[** +* *****-]"
1 38 PRO 13.505 0.757 13 8 "[** ** *1 *+-]"
1 39 LEU 3.218 1.955 12 2 "[ . 1 +- ]"
1 40 ASN 3.521 0.759 5 5 "[ +- *** ]"
1 41 ILE 2.029 0.569 13 1 "[ . 1 + ]"
1 42 GLU 5.906 0.531 5 5 "[* +- * * ]"
1 43 THR 9.564 0.831 3 9 "[**+*.-* *1 ** ]"
1 44 LEU 5.304 0.854 11 6 "[* *-. 1+* *]"
1 45 LEU 5.544 0.392 13 0 "[ . 1 ]"
1 46 PHE 9.423 0.489 11 0 "[ . 1 ]"
1 47 MET 18.772 0.854 11 12 [****.**-*1+***]
1 48 VAL 4.666 0.392 13 0 "[ . 1 ]"
1 49 LEU 2.384 0.854 13 3 "[ . *- + ]"
1 50 ASP 0.194 0.078 3 0 "[ . 1 ]"
1 51 VAL 11.021 0.870 13 14 [********-***+*]
1 52 SER 0.000 0.000 . 0 "[ . 1 ]"
1 53 ALA 1.833 0.221 13 0 "[ . 1 ]"
1 54 LYS 12.245 0.870 13 14 [********-***+*]
1 55 VAL 0.261 0.217 13 0 "[ . 1 ]"
1 56 GLY 1.833 0.221 13 0 "[ . 1 ]"
1 57 PHE 0.119 0.119 13 0 "[ . 1 ]"
1 58 GLY 0.181 0.124 10 0 "[ . 1 ]"
1 60 ILE 3.434 0.279 9 0 "[ . 1 ]"
1 61 LEU 2.512 0.225 12 0 "[ . 1 ]"
1 62 LEU 2.332 0.225 12 0 "[ . 1 ]"
1 63 ARG 6.031 0.994 8 4 "[ -. *+*1 ]"
1 64 SER 5.913 0.980 2 6 "[ +* .-* *1 * ]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 67 ILE 8.833 0.980 2 8 "[ +*-.** *1 **]"
1 68 PHE 0.573 0.573 14 1 "[ . 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 8 THR HA 1 11 VAL HB . . 3.010 2.776 2.382 3.152 0.142 8 0 "[ . 1 ]" 1
2 1 9 PHE H 1 9 PHE HB2 . . 3.980 2.349 2.243 2.445 . 0 0 "[ . 1 ]" 1
3 1 9 PHE HA 1 9 PHE HB2 . . 2.880 2.526 2.490 2.580 . 0 0 "[ . 1 ]" 1
4 1 9 PHE H 1 10 LYS H . . 3.350 2.967 2.869 3.065 . 0 0 "[ . 1 ]" 1
5 1 9 PHE HB2 1 10 LYS H . . 4.810 3.725 3.643 3.852 . 0 0 "[ . 1 ]" 1
6 1 9 PHE HA 1 12 LEU QB . . 3.140 2.839 2.535 3.228 0.088 6 0 "[ . 1 ]" 1
7 1 9 PHE HA 1 12 LEU MD2 . . 4.450 4.372 3.539 4.935 0.485 3 0 "[ . 1 ]" 1
8 1 10 LYS H 1 10 LYS HB2 . . 3.160 2.474 2.312 2.738 . 0 0 "[ . 1 ]" 1
9 1 10 LYS HA 1 10 LYS HB2 . . 2.910 2.848 2.432 3.055 0.145 3 0 "[ . 1 ]" 1
10 1 11 VAL H 1 11 VAL HB . . 3.190 2.501 2.434 2.563 . 0 0 "[ . 1 ]" 1
11 1 11 VAL HB 1 12 LEU H . . 2.990 2.445 2.357 2.519 . 0 0 "[ . 1 ]" 1
12 1 11 VAL HA 1 14 ASN HB2 . . 5.000 3.722 3.504 4.079 . 0 0 "[ . 1 ]" 1
13 1 11 VAL HA 1 14 ASN HB3 . . 3.320 2.823 2.487 3.511 0.191 8 0 "[ . 1 ]" 1
14 1 12 LEU H 1 12 LEU QB . . 2.970 2.204 2.118 2.456 . 0 0 "[ . 1 ]" 1
15 1 12 LEU H 1 12 LEU HG . . 5.000 4.138 2.145 4.492 . 0 0 "[ . 1 ]" 1
16 1 12 LEU H 1 12 LEU MD2 . . 4.840 4.187 3.405 4.344 . 0 0 "[ . 1 ]" 1
17 1 12 LEU HA 1 12 LEU QB . . 2.630 2.422 2.369 2.483 . 0 0 "[ . 1 ]" 1
18 1 12 LEU HA 1 12 LEU MD2 . . 3.350 3.173 2.084 3.930 0.580 12 2 "[ . 1-+ ]" 1
19 1 12 LEU HA 1 13 ARG H . . 5.000 3.597 3.570 3.631 . 0 0 "[ . 1 ]" 1
20 1 12 LEU HA 1 15 VAL H . . 5.000 3.783 3.533 4.040 . 0 0 "[ . 1 ]" 1
21 1 12 LEU HA 1 15 VAL HB . . 3.160 2.926 2.536 3.203 0.043 3 0 "[ . 1 ]" 1
22 1 13 ARG H 1 13 ARG HB3 . . 3.370 3.154 2.337 3.652 0.282 11 0 "[ . 1 ]" 1
23 1 13 ARG H 1 14 ASN H . . 3.860 2.964 2.888 3.010 . 0 0 "[ . 1 ]" 1
24 1 13 ARG HB3 1 14 ASN H . . 3.180 2.908 2.167 3.494 0.314 11 0 "[ . 1 ]" 1
25 1 13 ARG HA 1 16 THR H . . 5.000 3.792 3.480 4.103 . 0 0 "[ . 1 ]" 1
26 1 14 ASN HB2 1 14 ASN HD22 . . 4.000 4.008 3.509 4.060 0.060 7 0 "[ . 1 ]" 1
27 1 14 ASN HB3 1 14 ASN HD21 . . 3.620 2.303 2.190 3.422 . 0 0 "[ . 1 ]" 1
28 1 14 ASN H 1 15 VAL H . . 3.470 3.011 2.858 3.082 . 0 0 "[ . 1 ]" 1
29 1 14 ASN HA 1 15 VAL H . . 5.000 3.598 3.582 3.614 . 0 0 "[ . 1 ]" 1
30 1 14 ASN HB3 1 15 VAL H . . 5.000 2.362 2.301 2.474 . 0 0 "[ . 1 ]" 1
31 1 14 ASN HB2 1 15 VAL H . . 5.000 3.779 3.594 3.841 . 0 0 "[ . 1 ]" 1
32 1 14 ASN HA 1 17 VAL HB . . 3.300 3.129 2.923 3.402 0.102 4 0 "[ . 1 ]" 1
33 1 14 ASN HA 1 17 VAL QG . . 3.860 3.475 3.293 3.772 . 0 0 "[ . 1 ]" 1
34 1 15 VAL H 1 15 VAL HB . . 3.750 2.462 2.379 2.518 . 0 0 "[ . 1 ]" 1
35 1 15 VAL H 1 15 VAL MG1 . . 4.270 3.781 3.749 3.798 . 0 0 "[ . 1 ]" 1
36 1 15 VAL HA 1 15 VAL MG1 . . 3.380 2.528 2.502 2.552 . 0 0 "[ . 1 ]" 1
37 1 15 VAL H 1 16 THR H . . 3.870 2.978 2.920 3.046 . 0 0 "[ . 1 ]" 1
38 1 15 VAL HA 1 16 THR H . . 5.000 3.610 3.599 3.622 . 0 0 "[ . 1 ]" 1
39 1 15 VAL HB 1 16 THR H . . 3.760 2.518 2.450 2.634 . 0 0 "[ . 1 ]" 1
40 1 16 THR H 1 16 THR HB . . 3.680 3.625 3.607 3.641 . 0 0 "[ . 1 ]" 1
41 1 16 THR HA 1 16 THR MG . . 3.680 2.339 2.315 2.375 . 0 0 "[ . 1 ]" 1
42 1 16 THR HA 1 17 VAL H . . 3.600 3.611 3.602 3.623 0.023 3 0 "[ . 1 ]" 1
43 1 16 THR HB 1 17 VAL H . . 3.010 3.482 3.374 3.601 0.591 13 4 "[- ** 1 + ]" 1
44 1 16 THR HA 1 19 LEU HB2 . . 3.280 3.128 2.738 3.533 0.253 4 0 "[ . 1 ]" 1
45 1 16 THR MG 1 20 TRP HE1 . . 5.140 8.177 3.908 10.214 5.074 11 10 "[* **- * **+* *]" 1
46 1 17 VAL H 1 17 VAL HB . . 2.910 2.457 2.426 2.497 . 0 0 "[ . 1 ]" 1
47 1 17 VAL H 1 17 VAL QG . . 3.630 2.111 2.091 2.138 . 0 0 "[ . 1 ]" 1
48 1 17 VAL HA 1 17 VAL HB . . 3.090 3.040 3.035 3.043 . 0 0 "[ . 1 ]" 1
49 1 17 VAL HA 1 20 TRP H . . 4.020 3.678 3.523 3.845 . 0 0 "[ . 1 ]" 1
50 1 17 VAL HA 1 20 TRP HE3 . . 5.000 4.285 1.909 6.716 1.716 5 6 "[ * -+ ** 1* ]" 1
51 1 17 VAL QG 1 20 TRP HE3 . . 6.000 4.295 2.742 6.694 0.694 5 1 "[ + 1 ]" 1
52 1 18 VAL H 1 18 VAL HA . . 2.720 2.799 2.791 2.811 0.091 7 0 "[ . 1 ]" 1
53 1 18 VAL H 1 18 VAL MG1 . . 3.740 3.783 3.769 3.809 0.069 5 0 "[ . 1 ]" 1
54 1 18 VAL H 1 18 VAL MG2 . . 4.290 2.116 2.063 2.160 . 0 0 "[ . 1 ]" 1
55 1 18 VAL H 1 19 LEU H . . 3.570 2.963 2.872 3.023 . 0 0 "[ . 1 ]" 1
56 1 18 VAL H 1 20 TRP H . . 5.000 4.472 4.406 4.561 . 0 0 "[ . 1 ]" 1
57 1 18 VAL HA 1 21 SER H . . 5.000 3.757 3.661 3.900 . 0 0 "[ . 1 ]" 1
58 1 18 VAL MG1 1 21 SER H . . 4.770 5.041 4.930 5.177 0.407 4 0 "[ . 1 ]" 1
59 1 19 LEU H 1 19 LEU HA . . 2.950 2.788 2.757 2.818 . 0 0 "[ . 1 ]" 1
60 1 19 LEU H 1 19 LEU HB3 . . 3.740 3.061 2.532 3.635 . 0 0 "[ . 1 ]" 1
61 1 19 LEU H 1 19 LEU HB2 . . 3.400 2.359 2.172 2.566 . 0 0 "[ . 1 ]" 1
62 1 19 LEU H 1 20 TRP H . . 3.600 2.954 2.851 3.053 . 0 0 "[ . 1 ]" 1
63 1 19 LEU HB2 1 20 TRP H . . 3.930 3.156 2.396 3.751 . 0 0 "[ . 1 ]" 1
64 1 19 LEU HB3 1 20 TRP H . . 5.000 2.768 2.234 3.559 . 0 0 "[ . 1 ]" 1
65 1 19 LEU QD 1 20 TRP HD1 . . 3.950 5.498 2.525 7.583 3.633 5 11 "[****+ * -*** *]" 1
66 1 19 LEU HB3 1 23 TYR QR . . 7.000 6.138 3.926 7.213 0.213 9 0 "[ . 1 ]" 1
67 1 20 TRP HA 1 20 TRP HD1 . . 5.000 3.308 2.311 4.876 . 0 0 "[ . 1 ]" 1
68 1 20 TRP HA 1 20 TRP HE3 . . 5.000 4.171 1.853 5.129 0.129 6 0 "[ . 1 ]" 1
69 1 20 TRP H 1 21 SER H . . 3.800 3.051 2.979 3.130 . 0 0 "[ . 1 ]" 1
70 1 20 TRP HA 1 21 SER H . . 5.000 3.612 3.589 3.621 . 0 0 "[ . 1 ]" 1
71 1 20 TRP HB2 1 21 SER H . . 5.000 3.439 2.275 3.992 . 0 0 "[ . 1 ]" 1
72 1 20 TRP HB3 1 21 SER H . . 5.000 2.687 2.267 3.595 . 0 0 "[ . 1 ]" 1
73 1 20 TRP HE3 1 21 SER HA . . 5.000 5.347 3.589 7.445 2.445 4 7 "[ * +.**- 1* * ]" 1
74 1 20 TRP HA 1 23 TYR HB2 . . 3.570 3.133 2.584 3.807 0.237 3 0 "[ . 1 ]" 1
75 1 20 TRP HA 1 23 TYR HB3 . . 5.000 3.549 3.368 3.934 . 0 0 "[ . 1 ]" 1
76 1 20 TRP HA 1 23 TYR QR . . 7.000 4.224 3.566 5.065 . 0 0 "[ . 1 ]" 1
77 1 21 SER H 1 21 SER HA . . 3.020 2.832 2.820 2.839 . 0 0 "[ . 1 ]" 1
78 1 21 SER H 1 21 SER HB3 . . 3.270 2.554 2.470 2.716 . 0 0 "[ . 1 ]" 1
79 1 21 SER H 1 21 SER HB2 . . 3.260 3.628 3.602 3.644 0.384 13 0 "[ . 1 ]" 1
80 1 21 SER H 1 22 ALA H . . 3.010 2.816 2.773 2.870 . 0 0 "[ . 1 ]" 1
81 1 21 SER HA 1 22 ALA H . . 5.000 3.573 3.554 3.597 . 0 0 "[ . 1 ]" 1
82 1 21 SER HA 1 22 ALA MB . . 5.020 5.039 5.024 5.061 0.041 4 0 "[ . 1 ]" 1
83 1 21 SER HA 1 24 PRO QG . . 4.620 3.396 3.025 3.708 . 0 0 "[ . 1 ]" 1
84 1 22 ALA HA 1 25 VAL MG2 . . 4.990 2.618 2.283 3.430 . 0 0 "[ . 1 ]" 1
85 1 23 TYR H 1 23 TYR HB2 . . 3.540 2.472 2.215 2.706 . 0 0 "[ . 1 ]" 1
86 1 23 TYR H 1 23 TYR HB3 . . 4.240 2.564 2.398 2.875 . 0 0 "[ . 1 ]" 1
87 1 23 TYR HA 1 23 TYR HB2 . . 2.720 2.475 2.376 2.564 . 0 0 "[ . 1 ]" 1
88 1 23 TYR H 1 24 PRO HD2 . . 3.600 2.227 2.010 2.693 . 0 0 "[ . 1 ]" 1
89 1 23 TYR HB3 1 24 PRO HD3 . . 5.000 2.109 2.029 2.227 . 0 0 "[ . 1 ]" 1
90 1 23 TYR HB3 1 24 PRO HD2 . . 3.290 2.447 2.282 2.600 . 0 0 "[ . 1 ]" 1
91 1 23 TYR HB2 1 24 PRO HD2 . . 3.330 3.634 3.453 3.862 0.532 5 1 "[ + 1 ]" 1
92 1 23 TYR HB2 1 24 PRO HD3 . . 5.000 3.819 3.670 3.940 . 0 0 "[ . 1 ]" 1
93 1 23 TYR QR 1 24 PRO HD2 . . 7.000 4.039 3.620 4.412 . 0 0 "[ . 1 ]" 1
94 1 23 TYR HA 1 26 VAL H . . 5.000 3.781 3.511 3.891 . 0 0 "[ . 1 ]" 1
95 1 23 TYR HA 1 26 VAL HB . . 3.040 3.065 2.696 3.360 0.320 11 0 "[ . 1 ]" 1
96 1 23 TYR QR 1 26 VAL MG2 . . 6.000 4.442 3.508 5.348 . 0 0 "[ . 1 ]" 1
97 1 24 PRO HA 1 24 PRO HB3 . . 3.100 2.318 2.309 2.330 . 0 0 "[ . 1 ]" 1
98 1 24 PRO HA 1 24 PRO QG . . 3.220 3.513 3.507 3.519 0.299 11 0 "[ . 1 ]" 1
99 1 24 PRO HB2 1 24 PRO HD3 . . 4.110 3.848 3.833 3.872 . 0 0 "[ . 1 ]" 1
100 1 24 PRO HB2 1 24 PRO HD2 . . 4.120 4.142 4.129 4.152 0.032 10 0 "[ . 1 ]" 1
101 1 24 PRO HB3 1 24 PRO HD3 . . 3.150 2.781 2.753 2.823 . 0 0 "[ . 1 ]" 1
102 1 24 PRO HB3 1 25 VAL H . . 4.110 4.172 4.086 4.235 0.125 4 0 "[ . 1 ]" 1
103 1 24 PRO HD3 1 25 VAL H . . 5.000 4.103 4.037 4.159 . 0 0 "[ . 1 ]" 1
104 1 24 PRO HA 1 27 TRP QB . . 3.000 2.449 2.126 2.890 . 0 0 "[ . 1 ]" 1
105 1 25 VAL H 1 25 VAL HB . . 3.030 2.598 2.410 2.678 . 0 0 "[ . 1 ]" 1
106 1 25 VAL H 1 25 VAL MG1 . . 3.910 3.795 3.771 3.805 . 0 0 "[ . 1 ]" 1
107 1 25 VAL H 1 26 VAL H . . 3.300 2.910 2.752 3.081 . 0 0 "[ . 1 ]" 1
108 1 25 VAL HA 1 26 VAL H . . 5.000 3.583 3.567 3.600 . 0 0 "[ . 1 ]" 1
109 1 25 VAL HB 1 26 VAL H . . 3.650 2.314 2.241 2.453 . 0 0 "[ . 1 ]" 1
110 1 25 VAL HA 1 28 LEU H . . 5.000 3.732 3.409 4.162 . 0 0 "[ . 1 ]" 1
111 1 25 VAL HA 1 28 LEU QB . . 2.550 2.835 2.543 3.325 0.775 13 1 "[ . 1 + ]" 1
112 1 26 VAL H 1 26 VAL HB . . 3.120 2.502 2.451 2.642 . 0 0 "[ . 1 ]" 1
113 1 26 VAL H 1 26 VAL MG2 . . 4.480 2.088 2.003 2.161 . 0 0 "[ . 1 ]" 1
114 1 26 VAL H 1 26 VAL MG1 . . 3.830 3.793 3.777 3.825 . 0 0 "[ . 1 ]" 1
115 1 26 VAL HA 1 26 VAL MG2 . . 3.580 2.396 2.370 2.460 . 0 0 "[ . 1 ]" 1
116 1 26 VAL HA 1 26 VAL MG1 . . 3.500 2.502 2.450 2.528 . 0 0 "[ . 1 ]" 1
117 1 26 VAL H 1 27 TRP H . . 3.430 2.914 2.847 3.007 . 0 0 "[ . 1 ]" 1
118 1 26 VAL HA 1 27 TRP H . . 5.000 3.598 3.585 3.622 . 0 0 "[ . 1 ]" 1
119 1 26 VAL MG2 1 27 TRP H . . 4.540 3.887 3.774 3.989 . 0 0 "[ . 1 ]" 1
120 1 26 VAL MG1 1 27 TRP H . . 4.310 3.241 3.100 3.410 . 0 0 "[ . 1 ]" 1
121 1 26 VAL HA 1 29 ILE H . . 5.000 3.740 3.330 4.122 . 0 0 "[ . 1 ]" 1
122 1 26 VAL HA 1 29 ILE HB . . 3.130 3.127 2.708 4.511 1.381 13 2 "[ - 1 + ]" 1
123 1 26 VAL HA 1 29 ILE MD . . 4.280 2.748 2.116 5.341 1.061 13 1 "[ . 1 + ]" 1
124 1 26 VAL HA 1 30 GLY H . . 5.000 4.301 4.113 5.322 0.322 13 0 "[ . 1 ]" 1
125 1 27 TRP H 1 27 TRP QB . . 3.730 2.284 2.244 2.327 . 0 0 "[ . 1 ]" 1
126 1 27 TRP H 1 27 TRP HD1 . . 5.000 4.777 2.533 5.062 0.062 5 0 "[ . 1 ]" 1
127 1 27 TRP HA 1 27 TRP QB . . 2.780 2.383 2.342 2.497 . 0 0 "[ . 1 ]" 1
128 1 27 TRP HA 1 27 TRP HD1 . . 5.000 2.908 2.525 3.525 . 0 0 "[ . 1 ]" 1
129 1 27 TRP HA 1 27 TRP HE3 . . 4.200 4.677 3.756 4.902 0.702 6 8 "[* **.+ **1 *-]" 1
130 1 27 TRP H 1 28 LEU H . . 3.010 3.016 2.885 3.077 0.067 1 0 "[ . 1 ]" 1
131 1 27 TRP QB 1 28 LEU H . . 5.000 2.314 2.213 2.538 . 0 0 "[ . 1 ]" 1
132 1 27 TRP HD1 1 28 LEU HA . . 5.000 6.238 5.842 7.379 2.379 10 14 [*******-*+****] 1
133 1 27 TRP HE3 1 28 LEU HA . . 3.910 3.246 2.684 5.666 1.756 10 1 "[ . + ]" 1
134 1 27 TRP HE3 1 28 LEU QB . . 5.000 3.365 2.618 6.608 1.608 10 1 "[ . + ]" 1
135 1 27 TRP HE3 1 28 LEU QD . . 6.000 3.925 2.972 6.399 0.399 10 0 "[ . 1 ]" 1
136 1 27 TRP HA 1 30 GLY H . . 5.000 3.609 3.324 3.804 . 0 0 "[ . 1 ]" 1
137 1 28 LEU H 1 28 LEU HA . . 2.970 2.741 2.715 2.765 . 0 0 "[ . 1 ]" 1
138 1 28 LEU H 1 28 LEU QB . . 3.910 2.167 2.084 2.283 . 0 0 "[ . 1 ]" 1
139 1 28 LEU HA 1 28 LEU QB . . 2.770 2.410 2.359 2.464 . 0 0 "[ . 1 ]" 1
140 1 28 LEU HA 1 28 LEU QD . . 3.550 2.307 1.963 3.032 . 0 0 "[ . 1 ]" 1
141 1 28 LEU H 1 29 ILE H . . 3.510 3.027 2.972 3.100 . 0 0 "[ . 1 ]" 1
142 1 28 LEU HA 1 31 SER QB . . 5.000 4.129 3.529 5.179 0.179 3 0 "[ . 1 ]" 1
143 1 29 ILE H 1 29 ILE HG12 . . 3.760 3.399 2.049 4.609 0.849 13 1 "[ . 1 + ]" 1
144 1 29 ILE H 1 29 ILE MD . . 4.550 3.425 2.119 4.524 . 0 0 "[ . 1 ]" 1
145 1 29 ILE HA 1 29 ILE MG . . 3.500 2.555 2.344 3.275 . 0 0 "[ . 1 ]" 1
146 1 29 ILE H 1 30 GLY H . . 3.940 2.953 2.440 3.093 . 0 0 "[ . 1 ]" 1
147 1 29 ILE HB 1 30 GLY H . . 3.600 2.431 2.175 3.698 0.098 13 0 "[ . 1 ]" 1
148 1 29 ILE MG 1 30 GLY H . . 4.530 3.001 2.046 3.336 . 0 0 "[ . 1 ]" 1
149 1 29 ILE HA 1 32 GLU H . . 3.950 4.227 3.356 5.255 1.305 3 2 "[ -+ . 1 ]" 1
150 1 30 GLY H 1 31 SER H . . 3.180 3.258 2.857 3.478 0.298 5 0 "[ . 1 ]" 1
151 1 30 GLY HA3 1 31 SER H . . 3.200 3.515 3.273 3.620 0.420 10 0 "[ . 1 ]" 1
152 1 31 SER H 1 31 SER HA . . 3.090 2.877 2.762 2.937 . 0 0 "[ . 1 ]" 1
153 1 31 SER QB 1 32 GLU H . . 4.400 3.579 3.059 4.090 . 0 0 "[ . 1 ]" 1
154 1 32 GLU H 1 32 GLU HA . . 2.790 2.703 2.249 2.973 0.183 5 0 "[ . 1 ]" 1
155 1 32 GLU H 1 32 GLU QB . . 3.380 2.850 2.214 3.416 0.036 12 0 "[ . 1 ]" 1
156 1 32 GLU H 1 32 GLU QG . . 3.920 3.164 1.837 4.602 0.682 8 1 "[ . + 1 ]" 1
157 1 32 GLU HA 1 32 GLU QG . . 3.800 3.092 2.461 3.630 . 0 0 "[ . 1 ]" 1
158 1 32 GLU H 1 33 GLY H . . 3.760 2.834 2.030 3.726 . 0 0 "[ . 1 ]" 1
159 1 32 GLU QB 1 33 GLY H . . 4.010 3.449 2.054 4.117 0.107 12 0 "[ . 1 ]" 1
160 1 33 GLY H 1 33 GLY HA2 . . 2.770 2.702 2.332 2.918 0.148 12 0 "[ . 1 ]" 1
161 1 34 ALA HA 1 35 GLY H . . 5.000 2.857 2.307 3.650 . 0 0 "[ . 1 ]" 1
162 1 34 ALA H 1 36 ILE H . . 5.000 4.559 3.792 5.790 0.790 9 1 "[ . +1 ]" 1
163 1 35 GLY H 1 35 GLY HA2 . . 2.990 2.776 2.319 2.949 . 0 0 "[ . 1 ]" 1
164 1 35 GLY H 1 36 ILE H . . 3.400 2.660 2.137 3.331 . 0 0 "[ . 1 ]" 1
165 1 35 GLY HA2 1 36 ILE H . . 3.890 3.364 2.669 3.603 . 0 0 "[ . 1 ]" 1
166 1 36 ILE H 1 36 ILE HB . . 2.890 2.695 2.363 4.048 1.158 13 2 "[ . 1 -+ ]" 1
167 1 36 ILE H 1 36 ILE HG12 . . 3.670 3.551 2.721 4.550 0.880 1 3 "[+ . *- 1 ]" 1
168 1 36 ILE H 1 36 ILE HG13 . . 3.860 2.850 1.825 4.466 0.606 8 2 "[ . -+ 1 ]" 1
169 1 36 ILE H 1 36 ILE MD . . 5.220 3.916 3.437 4.502 . 0 0 "[ . 1 ]" 1
170 1 36 ILE HA 1 36 ILE HB . . 3.130 2.832 2.368 3.051 . 0 0 "[ . 1 ]" 1
171 1 36 ILE HA 1 36 ILE HG13 . . 3.620 3.016 2.372 3.795 0.175 12 0 "[ . 1 ]" 1
172 1 36 ILE HA 1 36 ILE MD . . 3.960 3.884 3.679 4.212 0.252 12 0 "[ . 1 ]" 1
173 1 36 ILE H 1 37 VAL H . . 3.650 3.000 2.573 4.401 0.751 13 1 "[ . 1 + ]" 1
174 1 36 ILE H 1 37 VAL MG2 . . 6.000 4.056 3.615 4.668 . 0 0 "[ . 1 ]" 1
175 1 36 ILE HB 1 37 VAL H . . 3.820 3.169 2.070 4.147 0.327 12 0 "[ . 1 ]" 1
176 1 36 ILE HA 1 39 LEU H . . 5.000 3.811 2.954 4.631 . 0 0 "[ . 1 ]" 1
177 1 36 ILE HA 1 39 LEU QB . . 2.870 2.750 1.947 4.825 1.955 12 2 "[ . 1 +- ]" 1
178 1 37 VAL H 1 37 VAL HB . . 3.210 2.637 2.433 3.794 0.584 13 1 "[ . 1 + ]" 1
179 1 37 VAL H 1 37 VAL MG2 . . 3.830 2.149 1.799 3.319 . 0 0 "[ . 1 ]" 1
180 1 37 VAL H 1 37 VAL MG1 . . 4.130 3.823 3.769 4.172 0.042 13 0 "[ . 1 ]" 1
181 1 37 VAL HA 1 37 VAL MG2 . . 3.510 2.397 2.311 2.501 . 0 0 "[ . 1 ]" 1
182 1 37 VAL H 1 38 PRO HD2 . . 3.760 2.354 1.845 3.051 . 0 0 "[ . 1 ]" 1
183 1 37 VAL H 1 38 PRO HD3 . . 3.610 3.632 3.313 4.367 0.757 13 1 "[ . 1 + ]" 1
184 1 37 VAL MG2 1 38 PRO HD2 . . 6.000 3.576 3.251 3.934 . 0 0 "[ . 1 ]" 1
185 1 37 VAL HA 1 40 ASN QB . . 3.170 3.175 2.359 3.852 0.682 9 3 "[ .- +* ]" 1
186 1 37 VAL MG2 1 40 ASN QB . . 6.000 4.805 4.070 5.422 . 0 0 "[ . 1 ]" 1
187 1 37 VAL MG2 1 40 ASN HD21 . . 6.000 4.938 3.653 6.759 0.759 5 2 "[ + 1- ]" 1
188 1 38 PRO HA 1 38 PRO HG2 . . 3.530 3.848 3.830 3.874 0.344 13 0 "[ . 1 ]" 1
189 1 38 PRO QB 1 38 PRO HD2 . . 3.820 3.538 3.531 3.543 . 0 0 "[ . 1 ]" 1
190 1 38 PRO HA 1 39 LEU H . . 5.000 3.619 3.581 3.652 . 0 0 "[ . 1 ]" 1
191 1 38 PRO QB 1 39 LEU H . . 4.030 3.074 2.745 3.311 . 0 0 "[ . 1 ]" 1
192 1 38 PRO HG2 1 39 LEU H . . 5.000 2.171 1.843 2.523 . 0 0 "[ . 1 ]" 1
193 1 38 PRO HD2 1 39 LEU H . . 4.880 3.079 2.941 3.239 . 0 0 "[ . 1 ]" 1
194 1 38 PRO HD3 1 39 LEU H . . 5.000 4.102 4.004 4.221 . 0 0 "[ . 1 ]" 1
195 1 38 PRO HA 1 41 ILE HG12 . . 5.000 4.743 4.308 5.569 0.569 13 1 "[ . 1 + ]" 1
196 1 38 PRO HA 1 41 ILE MG . . 4.610 4.119 3.714 4.769 0.159 10 0 "[ . 1 ]" 1
197 1 38 PRO HA 1 41 ILE HG13 . . 3.890 3.462 2.827 4.209 0.319 13 0 "[ . 1 ]" 1
198 1 38 PRO HA 1 41 ILE MD . . 4.200 2.342 2.066 3.169 . 0 0 "[ . 1 ]" 1
199 1 39 LEU H 1 39 LEU QB . . 2.940 2.237 2.139 2.564 . 0 0 "[ . 1 ]" 1
200 1 39 LEU H 1 39 LEU MD2 . . 5.050 3.818 1.965 4.304 . 0 0 "[ . 1 ]" 1
201 1 39 LEU H 1 40 ASN H . . 3.620 2.933 2.399 3.090 . 0 0 "[ . 1 ]" 1
202 1 40 ASN H 1 40 ASN QB . . 2.890 2.389 2.206 2.708 . 0 0 "[ . 1 ]" 1
203 1 40 ASN H 1 41 ILE H . . 3.830 2.961 2.892 3.049 . 0 0 "[ . 1 ]" 1
204 1 40 ASN QB 1 41 ILE H . . 4.220 2.456 2.119 2.700 . 0 0 "[ . 1 ]" 1
205 1 40 ASN HA 1 43 THR MG . . 5.200 3.953 3.586 4.383 . 0 0 "[ . 1 ]" 1
206 1 41 ILE H 1 41 ILE HA . . 3.000 2.794 2.770 2.859 . 0 0 "[ . 1 ]" 1
207 1 41 ILE H 1 41 ILE HB . . 3.080 2.508 2.409 2.627 . 0 0 "[ . 1 ]" 1
208 1 41 ILE H 1 41 ILE HG12 . . 3.670 3.354 3.147 3.466 . 0 0 "[ . 1 ]" 1
209 1 41 ILE H 1 41 ILE MG . . 4.000 3.790 3.767 3.812 . 0 0 "[ . 1 ]" 1
210 1 41 ILE H 1 41 ILE MD . . 4.590 3.508 3.447 3.576 . 0 0 "[ . 1 ]" 1
211 1 41 ILE HA 1 41 ILE HB . . 3.130 3.042 3.034 3.052 . 0 0 "[ . 1 ]" 1
212 1 41 ILE HA 1 41 ILE MG . . 3.650 2.505 2.422 2.570 . 0 0 "[ . 1 ]" 1
213 1 41 ILE HA 1 41 ILE MD . . 3.850 3.893 3.850 3.932 0.082 10 0 "[ . 1 ]" 1
214 1 41 ILE H 1 42 GLU H . . 3.500 2.963 2.646 3.065 . 0 0 "[ . 1 ]" 1
215 1 41 ILE HA 1 42 GLU H . . 5.000 3.594 3.558 3.632 . 0 0 "[ . 1 ]" 1
216 1 41 ILE HB 1 42 GLU H . . 3.410 2.410 2.333 2.526 . 0 0 "[ . 1 ]" 1
217 1 42 GLU H 1 42 GLU HA . . 3.140 2.797 2.769 2.839 . 0 0 "[ . 1 ]" 1
218 1 42 GLU H 1 42 GLU HB2 . . 3.340 2.504 2.419 2.575 . 0 0 "[ . 1 ]" 1
219 1 42 GLU H 1 42 GLU HB3 . . 3.680 2.505 2.336 2.607 . 0 0 "[ . 1 ]" 1
220 1 42 GLU H 1 42 GLU HG2 . . 4.150 4.572 4.479 4.681 0.531 5 5 "[* +- * * ]" 1
221 1 42 GLU H 1 42 GLU HG3 . . 5.000 4.522 4.438 4.616 . 0 0 "[ . 1 ]" 1
222 1 42 GLU HA 1 42 GLU HB2 . . 2.990 2.453 2.404 2.488 . 0 0 "[ . 1 ]" 1
223 1 42 GLU HA 1 42 GLU HG2 . . 4.370 3.291 2.641 3.839 . 0 0 "[ . 1 ]" 1
224 1 42 GLU H 1 43 THR H . . 4.020 2.942 2.842 3.029 . 0 0 "[ . 1 ]" 1
225 1 42 GLU HA 1 45 LEU QB . . 3.480 2.815 2.435 3.159 . 0 0 "[ . 1 ]" 1
226 1 43 THR MG 1 44 LEU H . . 6.000 3.335 3.267 3.406 . 0 0 "[ . 1 ]" 1
227 1 43 THR HA 1 46 PHE HB3 . . 2.730 2.919 2.760 3.171 0.441 12 0 "[ . 1 ]" 1
228 1 43 THR MG 1 47 MET QG . . 4.370 4.654 2.877 5.201 0.831 3 9 "[**+*.-* *1 ** ]" 1
229 1 44 LEU H 1 45 LEU H . . 5.000 2.944 2.852 3.066 . 0 0 "[ . 1 ]" 1
230 1 44 LEU HA 1 47 MET HB2 . . 3.030 3.332 2.475 3.884 0.854 11 6 "[* *-. 1+* *]" 1
231 1 44 LEU HA 1 47 MET QG . . 5.000 4.450 3.092 4.996 . 0 0 "[ . 1 ]" 1
232 1 45 LEU H 1 45 LEU HA . . 2.600 2.790 2.767 2.827 0.227 4 0 "[ . 1 ]" 1
233 1 45 LEU H 1 45 LEU QB . . 2.690 2.249 2.089 2.477 . 0 0 "[ . 1 ]" 1
234 1 45 LEU H 1 45 LEU MD2 . . 4.510 3.717 1.938 4.314 . 0 0 "[ . 1 ]" 1
235 1 45 LEU H 1 45 LEU MD1 . . 5.040 4.020 3.496 4.338 . 0 0 "[ . 1 ]" 1
236 1 45 LEU HA 1 45 LEU MD2 . . 4.220 2.708 2.054 3.935 . 0 0 "[ . 1 ]" 1
237 1 45 LEU HA 1 48 VAL HB . . 2.920 3.126 2.939 3.312 0.392 13 0 "[ . 1 ]" 1
238 1 45 LEU HA 1 48 VAL MG1 . . 4.570 4.336 4.171 4.487 . 0 0 "[ . 1 ]" 1
239 1 46 PHE HA 1 46 PHE HB3 . . 2.570 3.054 3.048 3.059 0.489 11 0 "[ . 1 ]" 1
240 1 47 MET H 1 47 MET HA . . 2.920 2.762 2.748 2.781 . 0 0 "[ . 1 ]" 1
241 1 47 MET H 1 47 MET HB2 . . 3.000 2.408 2.296 2.537 . 0 0 "[ . 1 ]" 1
242 1 47 MET H 1 47 MET QG . . 3.430 3.710 2.150 3.986 0.556 3 12 [**+*.**-*1****] 1
243 1 47 MET HA 1 47 MET QG . . 3.490 2.449 2.400 2.488 . 0 0 "[ . 1 ]" 1
244 1 47 MET HA 1 50 ASP HB2 . . 3.650 2.983 2.545 3.728 0.078 3 0 "[ . 1 ]" 1
245 1 47 MET QG 1 51 VAL MG2 . . 5.120 2.928 2.416 4.816 . 0 0 "[ . 1 ]" 1
246 1 48 VAL H 1 48 VAL MG1 . . 3.680 3.807 3.794 3.826 0.146 11 0 "[ . 1 ]" 1
247 1 48 VAL HA 1 51 VAL HB . . 4.390 2.993 2.776 3.182 . 0 0 "[ . 1 ]" 1
248 1 49 LEU H 1 49 LEU HB2 . . 3.030 2.548 2.348 2.667 . 0 0 "[ . 1 ]" 1
249 1 49 LEU H 1 49 LEU HG . . 3.040 2.473 2.032 3.894 0.854 13 3 "[ . *- + ]" 1
250 1 49 LEU HB2 1 50 ASP H . . 3.780 2.420 2.315 2.702 . 0 0 "[ . 1 ]" 1
251 1 49 LEU HG 1 50 ASP H . . 5.000 4.402 4.150 5.042 0.042 10 0 "[ . 1 ]" 1
252 1 49 LEU MD2 1 50 ASP H . . 6.000 4.635 4.555 4.701 . 0 0 "[ . 1 ]" 1
253 1 50 ASP HA 1 53 ALA MB . . 4.210 2.920 2.818 3.142 . 0 0 "[ . 1 ]" 1
254 1 51 VAL H 1 51 VAL HB . . 3.110 2.495 2.450 2.524 . 0 0 "[ . 1 ]" 1
255 1 51 VAL H 1 51 VAL MG2 . . 3.830 2.083 2.043 2.127 . 0 0 "[ . 1 ]" 1
256 1 51 VAL H 1 52 SER H . . 5.000 2.992 2.942 3.039 . 0 0 "[ . 1 ]" 1
257 1 51 VAL HA 1 52 SER H . . 5.000 3.618 3.606 3.631 . 0 0 "[ . 1 ]" 1
258 1 51 VAL HB 1 52 SER H . . 3.030 2.453 2.400 2.505 . 0 0 "[ . 1 ]" 1
259 1 51 VAL MG2 1 52 SER H . . 5.120 3.899 3.856 3.937 . 0 0 "[ . 1 ]" 1
260 1 51 VAL HA 1 54 LYS HB2 . . 3.830 3.342 2.842 3.726 . 0 0 "[ . 1 ]" 1
261 1 51 VAL HB 1 54 LYS H . . 5.000 5.787 5.684 5.870 0.870 13 14 [********-***+*] 1
262 1 51 VAL HA 1 55 VAL H . . 5.000 4.184 3.933 4.656 . 0 0 "[ . 1 ]" 1
263 1 52 SER HA 1 52 SER HB2 . . 2.790 2.462 2.388 2.548 . 0 0 "[ . 1 ]" 1
264 1 52 SER H 1 53 ALA H . . 3.900 2.891 2.850 2.923 . 0 0 "[ . 1 ]" 1
265 1 52 SER HB2 1 53 ALA H . . 5.000 3.646 3.458 3.872 . 0 0 "[ . 1 ]" 1
266 1 52 SER HA 1 55 VAL H . . 5.000 3.671 3.477 3.835 . 0 0 "[ . 1 ]" 1
267 1 52 SER HA 1 55 VAL HB . . 3.430 2.929 2.764 3.053 . 0 0 "[ . 1 ]" 1
268 1 52 SER HA 1 55 VAL MG2 . . 4.670 3.092 2.614 3.381 . 0 0 "[ . 1 ]" 1
269 1 52 SER HA 1 55 VAL MG1 . . 4.480 4.185 4.033 4.287 . 0 0 "[ . 1 ]" 1
270 1 53 ALA H 1 54 LYS H . . 4.010 2.918 2.773 2.988 . 0 0 "[ . 1 ]" 1
271 1 53 ALA HA 1 56 GLY H . . 3.560 3.691 3.560 3.781 0.221 13 0 "[ . 1 ]" 1
272 1 53 ALA HA 1 57 PHE H . . 5.000 4.124 4.019 4.242 . 0 0 "[ . 1 ]" 1
273 1 53 ALA MB 1 57 PHE H . . 5.210 4.570 4.499 4.618 . 0 0 "[ . 1 ]" 1
274 1 54 LYS HA 1 54 LYS HB3 . . 2.930 2.816 2.380 3.055 0.125 12 0 "[ . 1 ]" 1
275 1 54 LYS H 1 55 VAL H . . 4.250 2.962 2.920 3.037 . 0 0 "[ . 1 ]" 1
276 1 54 LYS HA 1 55 VAL H . . 5.000 3.593 3.548 3.618 . 0 0 "[ . 1 ]" 1
277 1 54 LYS HB2 1 55 VAL H . . 5.000 3.194 2.251 3.886 . 0 0 "[ . 1 ]" 1
278 1 54 LYS HB3 1 55 VAL H . . 5.000 2.837 2.225 3.602 . 0 0 "[ . 1 ]" 1
279 1 54 LYS HG2 1 55 VAL H . . 5.000 4.343 3.440 5.217 0.217 13 0 "[ . 1 ]" 1
280 1 54 LYS HA 1 57 PHE H . . 5.000 3.696 3.505 3.883 . 0 0 "[ . 1 ]" 1
281 1 54 LYS HA 1 57 PHE HB3 . . 3.380 2.852 2.581 3.107 . 0 0 "[ . 1 ]" 1
282 1 54 LYS HA 1 57 PHE QR . . 7.000 4.256 3.152 4.722 . 0 0 "[ . 1 ]" 1
283 1 55 VAL H 1 55 VAL HB . . 3.260 2.526 2.449 2.629 . 0 0 "[ . 1 ]" 1
284 1 55 VAL H 1 55 VAL MG2 . . 4.460 2.077 1.938 2.157 . 0 0 "[ . 1 ]" 1
285 1 55 VAL HA 1 55 VAL HB . . 3.110 3.043 3.041 3.046 . 0 0 "[ . 1 ]" 1
286 1 55 VAL HA 1 55 VAL MG2 . . 3.590 2.401 2.357 2.493 . 0 0 "[ . 1 ]" 1
287 1 55 VAL H 1 56 GLY H . . 4.760 2.966 2.933 2.993 . 0 0 "[ . 1 ]" 1
288 1 55 VAL HB 1 56 GLY H . . 4.120 2.410 2.302 2.479 . 0 0 "[ . 1 ]" 1
289 1 55 VAL MG2 1 56 GLY H . . 5.390 3.854 3.701 3.927 . 0 0 "[ . 1 ]" 1
290 1 55 VAL H 1 57 PHE H . . 5.000 4.504 4.462 4.554 . 0 0 "[ . 1 ]" 1
291 1 56 GLY H 1 57 PHE H . . 3.500 2.996 2.952 3.030 . 0 0 "[ . 1 ]" 1
292 1 56 GLY HA3 1 57 PHE H . . 5.000 2.681 2.660 2.710 . 0 0 "[ . 1 ]" 1
293 1 57 PHE H 1 57 PHE HB3 . . 3.640 2.582 2.500 2.627 . 0 0 "[ . 1 ]" 1
294 1 57 PHE H 1 57 PHE HB2 . . 3.530 2.408 2.338 2.567 . 0 0 "[ . 1 ]" 1
295 1 57 PHE HA 1 57 PHE HB2 . . 2.930 2.495 2.437 2.532 . 0 0 "[ . 1 ]" 1
296 1 57 PHE H 1 58 GLY H . . 3.600 2.978 2.931 3.050 . 0 0 "[ . 1 ]" 1
297 1 57 PHE HB3 1 58 GLY H . . 4.090 2.365 2.279 2.465 . 0 0 "[ . 1 ]" 1
298 1 57 PHE HA 1 60 ILE HB . . 2.910 2.752 2.545 3.029 0.119 13 0 "[ . 1 ]" 1
299 1 57 PHE HA 1 60 ILE HG13 . . 5.000 3.737 3.423 3.955 . 0 0 "[ . 1 ]" 1
300 1 57 PHE HA 1 60 ILE MD . . 4.020 2.335 1.998 2.560 . 0 0 "[ . 1 ]" 1
301 1 57 PHE QR 1 60 ILE HB . . 7.000 4.106 2.895 4.499 . 0 0 "[ . 1 ]" 1
302 1 57 PHE HA 1 61 LEU H . . 5.000 4.053 3.866 4.179 . 0 0 "[ . 1 ]" 1
303 1 58 GLY HA3 1 61 LEU H . . 5.000 4.957 4.857 5.124 0.124 10 0 "[ . 1 ]" 1
304 1 60 ILE H 1 60 ILE HB . . 3.020 2.471 2.403 2.526 . 0 0 "[ . 1 ]" 1
305 1 60 ILE H 1 60 ILE HG13 . . 2.450 2.067 2.014 2.201 . 0 0 "[ . 1 ]" 1
306 1 60 ILE H 1 60 ILE MD . . 4.190 3.430 3.146 3.485 . 0 0 "[ . 1 ]" 1
307 1 60 ILE HA 1 60 ILE MD . . 3.670 3.903 3.885 3.949 0.279 9 0 "[ . 1 ]" 1
308 1 60 ILE H 1 61 LEU H . . 3.420 2.941 2.882 3.007 . 0 0 "[ . 1 ]" 1
309 1 60 ILE HA 1 61 LEU H . . 5.000 3.584 3.569 3.599 . 0 0 "[ . 1 ]" 1
310 1 60 ILE HA 1 63 ARG H . . 5.000 4.256 3.619 5.059 0.059 13 0 "[ . 1 ]" 1
311 1 60 ILE HA 1 63 ARG QB . . 3.240 2.708 2.373 3.099 . 0 0 "[ . 1 ]" 1
312 1 60 ILE HA 1 64 SER H . . 5.000 4.003 3.114 4.676 . 0 0 "[ . 1 ]" 1
313 1 61 LEU H 1 61 LEU HB2 . . 3.200 2.442 2.354 2.575 . 0 0 "[ . 1 ]" 1
314 1 61 LEU H 1 61 LEU HB3 . . 2.940 2.530 2.441 2.644 . 0 0 "[ . 1 ]" 1
315 1 61 LEU H 1 61 LEU MD1 . . 4.280 4.082 3.986 4.190 . 0 0 "[ . 1 ]" 1
316 1 61 LEU H 1 61 LEU MD2 . . 4.660 4.278 4.247 4.306 . 0 0 "[ . 1 ]" 1
317 1 61 LEU HA 1 61 LEU MD1 . . 3.660 2.121 2.034 2.192 . 0 0 "[ . 1 ]" 1
318 1 61 LEU H 1 62 LEU H . . 2.810 2.977 2.912 3.035 0.225 12 0 "[ . 1 ]" 1
319 1 61 LEU MD1 1 62 LEU H . . 6.000 4.368 4.166 4.519 . 0 0 "[ . 1 ]" 1
320 1 61 LEU MD1 1 64 SER H . . 6.000 5.079 4.426 5.707 . 0 0 "[ . 1 ]" 1
321 1 62 LEU H 1 62 LEU HB2 . . 3.070 2.429 2.235 2.603 . 0 0 "[ . 1 ]" 1
322 1 62 LEU H 1 63 ARG H . . 4.250 3.192 2.853 3.516 . 0 0 "[ . 1 ]" 1
323 1 63 ARG H 1 63 ARG HA . . 2.990 2.850 2.760 2.931 . 0 0 "[ . 1 ]" 1
324 1 63 ARG H 1 63 ARG QB . . 2.980 2.591 2.135 2.898 . 0 0 "[ . 1 ]" 1
325 1 63 ARG H 1 63 ARG HG2 . . 5.000 4.340 2.158 5.185 0.185 8 0 "[ . 1 ]" 1
326 1 63 ARG H 1 63 ARG QD . . 5.000 4.197 3.163 5.434 0.434 12 0 "[ . 1 ]" 1
327 1 63 ARG HA 1 63 ARG QB . . 2.440 2.403 2.302 2.593 0.153 7 0 "[ . 1 ]" 1
328 1 63 ARG HA 1 63 ARG HG2 . . 2.780 2.961 2.453 3.774 0.994 8 3 "[ . *+-1 ]" 1
329 1 63 ARG HA 1 63 ARG QD . . 5.000 3.498 2.095 4.217 . 0 0 "[ . 1 ]" 1
330 1 63 ARG QB 1 64 SER H . . 4.090 2.385 2.147 3.227 . 0 0 "[ . 1 ]" 1
331 1 63 ARG HA 1 67 ILE H . . 5.000 4.558 3.541 5.506 0.506 4 1 "[ +. 1 ]" 1
332 1 63 ARG HA 1 67 ILE MD . . 6.000 2.749 1.960 4.527 . 0 0 "[ . 1 ]" 1
333 1 64 SER H 1 64 SER HA . . 2.820 2.890 2.773 2.961 0.141 13 0 "[ . 1 ]" 1
334 1 64 SER H 1 65 ARG H . . 3.230 2.779 2.354 3.095 . 0 0 "[ . 1 ]" 1
335 1 66 ALA H 1 67 ILE H . . 3.420 2.603 2.142 2.936 . 0 0 "[ . 1 ]" 1
336 1 67 ILE H 1 67 ILE HB . . 3.400 2.605 2.378 3.712 0.312 14 0 "[ . 1 ]" 1
337 1 67 ILE H 1 67 ILE HG12 . . 3.710 3.537 2.993 4.291 0.581 3 2 "[ + . -1 ]" 1
338 1 67 ILE H 1 68 PHE H . . 3.330 2.696 1.746 3.311 . 0 0 "[ . 1 ]" 1
339 1 67 ILE HB 1 68 PHE H . . 3.860 2.652 2.119 4.433 0.573 14 1 "[ . 1 +]" 1
340 1 67 ILE MG 1 68 PHE H . . 6.000 3.218 2.431 4.018 . 0 0 "[ . 1 ]" 1
341 1 68 PHE H 1 68 PHE HB3 . . 4.000 2.567 2.417 2.718 . 0 0 "[ . 1 ]" 1
342 1 11 VAL HA 1 14 ASN HD21 . . 5.000 4.115 3.368 5.240 0.240 12 0 "[ . 1 ]" 1
343 1 24 PRO HA 1 28 LEU QD . . 5.320 5.625 4.905 6.071 0.751 10 4 "[* -. + *]" 1
344 1 37 VAL H 1 38 PRO QB . . 5.000 5.450 4.941 5.632 0.632 12 8 "[** ** *1 +*-]" 1
345 1 19 LEU HG 1 20 TRP HD1 . . 5.000 8.061 4.965 10.180 5.180 5 13 "[****+-* ******]" 1
346 1 19 LEU HA 1 20 TRP HD1 . . 5.000 7.294 4.972 8.517 3.517 5 13 "[****+-* ******]" 1
347 1 64 SER HA 1 67 ILE MD . . 5.170 4.705 1.975 6.150 0.980 2 6 "[ +* .-* *1 * ]" 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 84
_Distance_constraint_stats_list.Viol_count 848
_Distance_constraint_stats_list.Viol_total 1395.025
_Distance_constraint_stats_list.Viol_max 2.125
_Distance_constraint_stats_list.Viol_rms 0.1846
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0847
_Distance_constraint_stats_list.Viol_average_violations_only 0.1175
_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 GLU 4.801 1.301 7 1 "[ . + 1 ]"
1 5 VAL 2.866 0.432 6 0 "[ . 1 ]"
1 6 ALA 2.158 0.285 3 0 "[ . 1 ]"
1 7 SER 4.722 0.748 8 1 "[ . + 1 ]"
1 8 THR 5.298 1.301 7 1 "[ . + 1 ]"
1 9 PHE 4.323 0.432 6 0 "[ . 1 ]"
1 10 LYS 3.150 0.285 3 0 "[ . 1 ]"
1 11 VAL 5.459 0.748 8 1 "[ . + 1 ]"
1 12 LEU 0.991 0.109 2 0 "[ . 1 ]"
1 13 ARG 4.441 0.193 14 0 "[ . 1 ]"
1 14 ASN 2.387 0.176 7 0 "[ . 1 ]"
1 15 VAL 0.918 0.111 4 0 "[ . 1 ]"
1 16 THR 0.989 0.080 8 0 "[ . 1 ]"
1 17 VAL 5.284 0.193 14 0 "[ . 1 ]"
1 18 VAL 1.668 0.153 4 0 "[ . 1 ]"
1 19 LEU 6.353 0.642 8 4 "[ * . +*1 - ]"
1 20 TRP 0.496 0.080 8 0 "[ . 1 ]"
1 21 SER 2.301 0.184 14 0 "[ . 1 ]"
1 22 ALA 0.537 0.077 10 0 "[ . 1 ]"
1 23 TYR 7.968 0.642 8 4 "[ * . +*1 - ]"
1 24 PRO 0.164 0.054 14 0 "[ . 1 ]"
1 25 VAL 6.720 1.468 13 1 "[ . 1 + ]"
1 26 VAL 0.264 0.077 10 0 "[ . 1 ]"
1 27 TRP 1.796 0.274 6 0 "[ . 1 ]"
1 28 LEU 0.164 0.054 14 0 "[ . 1 ]"
1 29 ILE 6.720 1.468 13 1 "[ . 1 + ]"
1 39 LEU 0.273 0.075 3 0 "[ . 1 ]"
1 40 ASN 1.154 0.172 11 0 "[ . 1 ]"
1 41 ILE 3.865 0.403 14 0 "[ . 1 ]"
1 42 GLU 0.465 0.087 4 0 "[ . 1 ]"
1 43 THR 0.713 0.105 12 0 "[ . 1 ]"
1 44 LEU 3.683 0.236 11 0 "[ . 1 ]"
1 45 LEU 10.014 0.403 14 0 "[ . 1 ]"
1 46 PHE 0.793 0.087 4 0 "[ . 1 ]"
1 47 MET 1.414 0.142 12 0 "[ . 1 ]"
1 48 VAL 4.718 0.236 11 0 "[ . 1 ]"
1 49 LEU 7.226 0.378 8 0 "[ . 1 ]"
1 50 ASP 2.228 0.421 9 0 "[ . 1 ]"
1 51 VAL 3.294 0.402 9 0 "[ . 1 ]"
1 52 SER 4.361 0.147 8 0 "[ . 1 ]"
1 53 ALA 1.500 0.124 3 0 "[ . 1 ]"
1 54 LYS 3.041 0.421 9 0 "[ . 1 ]"
1 55 VAL 4.883 0.402 9 0 "[ . 1 ]"
1 56 GLY 3.937 0.172 11 0 "[ . 1 ]"
1 57 PHE 0.614 0.068 4 0 "[ . 1 ]"
1 58 GLY 1.141 0.139 12 0 "[ . 1 ]"
1 59 LEU 17.582 2.125 12 7 "[ ** ** 1 +**]"
1 60 ILE 3.879 0.385 11 0 "[ . 1 ]"
1 61 LEU 9.315 1.239 13 6 "[ -** 1 *+*]"
1 63 ARG 15.020 2.125 12 7 "[ ** ** 1 +**]"
1 64 SER 2.114 0.385 11 0 "[ . 1 ]"
1 65 ARG 9.123 1.239 13 6 "[ -** 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 4 GLU O 1 8 THR H . . 2.000 2.186 2.009 3.301 1.301 7 1 "[ . + 1 ]" 2
2 1 4 GLU O 1 8 THR N . 2.700 3.000 3.155 2.976 4.238 1.238 7 1 "[ . + 1 ]" 2
3 1 5 VAL O 1 9 PHE H . . 2.000 2.117 1.990 2.432 0.432 6 0 "[ . 1 ]" 2
4 1 5 VAL O 1 9 PHE N . 2.700 3.000 3.082 2.952 3.383 0.383 6 0 "[ . 1 ]" 2
5 1 6 ALA O 1 10 LYS H . . 2.000 2.091 2.021 2.285 0.285 3 0 "[ . 1 ]" 2
6 1 6 ALA O 1 10 LYS N . 2.700 3.000 3.062 2.990 3.257 0.257 3 0 "[ . 1 ]" 2
7 1 7 SER O 1 11 VAL H . . 2.000 2.179 1.981 2.748 0.748 8 1 "[ . + 1 ]" 2
8 1 7 SER O 1 11 VAL N . 2.700 3.000 3.154 2.952 3.725 0.725 8 1 "[ . + 1 ]" 2
9 1 8 THR O 1 12 LEU H . . 2.000 2.013 1.945 2.109 0.109 2 0 "[ . 1 ]" 2
10 1 8 THR O 1 12 LEU N . 2.700 3.000 2.988 2.918 3.085 0.085 2 0 "[ . 1 ]" 2
11 1 9 PHE O 1 13 ARG H . . 2.000 2.052 1.956 2.175 0.175 1 0 "[ . 1 ]" 2
12 1 9 PHE O 1 13 ARG N . 2.700 3.000 3.027 2.931 3.150 0.150 1 0 "[ . 1 ]" 2
13 1 10 LYS O 1 14 ASN H . . 2.000 2.043 1.988 2.176 0.176 7 0 "[ . 1 ]" 2
14 1 10 LYS O 1 14 ASN N . 2.700 3.000 3.018 2.961 3.146 0.146 7 0 "[ . 1 ]" 2
15 1 11 VAL O 1 15 VAL H . . 2.000 2.031 1.977 2.111 0.111 4 0 "[ . 1 ]" 2
16 1 11 VAL O 1 15 VAL N . 2.700 3.000 3.008 2.953 3.089 0.089 4 0 "[ . 1 ]" 2
17 1 12 LEU O 1 16 THR H . . 2.000 2.025 1.974 2.057 0.057 12 0 "[ . 1 ]" 2
18 1 12 LEU O 1 16 THR N . 2.700 3.000 3.001 2.949 3.033 0.033 12 0 "[ . 1 ]" 2
19 1 13 ARG O 1 17 VAL H . . 2.000 2.118 2.060 2.193 0.193 14 0 "[ . 1 ]" 2
20 1 13 ARG O 1 17 VAL N . 2.700 3.000 3.095 3.034 3.167 0.167 10 0 "[ . 1 ]" 2
21 1 14 ASN O 1 18 VAL H . . 2.000 2.054 1.970 2.153 0.153 4 0 "[ . 1 ]" 2
22 1 14 ASN O 1 18 VAL N . 2.700 3.000 3.029 2.946 3.128 0.128 4 0 "[ . 1 ]" 2
23 1 15 VAL O 1 19 LEU H . . 2.000 1.999 1.956 2.036 0.036 2 0 "[ . 1 ]" 2
24 1 15 VAL O 1 19 LEU N . 2.700 3.000 2.972 2.926 3.011 0.011 2 0 "[ . 1 ]" 2
25 1 16 THR O 1 20 TRP H . . 2.000 2.024 1.993 2.080 0.080 8 0 "[ . 1 ]" 2
26 1 16 THR O 1 20 TRP N . 2.700 3.000 2.997 2.952 3.058 0.058 8 0 "[ . 1 ]" 2
27 1 17 VAL O 1 21 SER H . . 2.000 2.092 1.989 2.184 0.184 14 0 "[ . 1 ]" 2
28 1 17 VAL O 1 21 SER N . 2.700 3.000 3.069 2.964 3.160 0.160 14 0 "[ . 1 ]" 2
29 1 18 VAL O 1 22 ALA H . . 2.000 1.999 1.953 2.061 0.061 5 0 "[ . 1 ]" 2
30 1 18 VAL O 1 22 ALA N . 2.700 3.000 2.966 2.920 3.035 0.035 5 0 "[ . 1 ]" 2
31 1 19 LEU O 1 23 TYR H . . 2.000 2.394 2.056 2.642 0.642 8 4 "[ * . +*1 - ]" 2
32 1 19 LEU O 1 23 TYR N . 2.700 3.000 2.998 2.797 3.222 0.222 3 0 "[ . 1 ]" 2
33 1 22 ALA O 1 26 VAL H . . 2.000 2.006 1.974 2.077 0.077 10 0 "[ . 1 ]" 2
34 1 22 ALA O 1 26 VAL N . 2.700 3.000 2.978 2.950 3.035 0.035 10 0 "[ . 1 ]" 2
35 1 23 TYR O 1 27 TRP H . . 2.000 2.076 2.018 2.274 0.274 6 0 "[ . 1 ]" 2
36 1 23 TYR O 1 27 TRP N . 2.700 3.000 3.051 2.991 3.250 0.250 6 0 "[ . 1 ]" 2
37 1 24 PRO O 1 28 LEU H . . 2.000 1.992 1.915 2.054 0.054 14 0 "[ . 1 ]" 2
38 1 24 PRO O 1 28 LEU N . 2.700 3.000 2.962 2.875 3.030 0.030 14 0 "[ . 1 ]" 2
39 1 25 VAL O 1 29 ILE H . . 2.000 2.261 2.100 3.468 1.468 13 1 "[ . 1 + ]" 2
40 1 25 VAL O 1 29 ILE N . 2.700 3.000 3.219 3.077 4.226 1.226 13 1 "[ . 1 + ]" 2
41 1 39 LEU O 1 43 THR H . . 2.000 1.997 1.950 2.075 0.075 3 0 "[ . 1 ]" 2
42 1 39 LEU O 1 43 THR N . 2.700 3.000 2.972 2.919 3.050 0.050 3 0 "[ . 1 ]" 2
43 1 40 ASN O 1 44 LEU H . . 2.000 2.047 1.984 2.172 0.172 11 0 "[ . 1 ]" 2
44 1 40 ASN O 1 44 LEU N . 2.700 3.000 3.022 2.960 3.150 0.150 11 0 "[ . 1 ]" 2
45 1 41 ILE O 1 45 LEU H . . 2.000 2.149 1.986 2.403 0.403 14 0 "[ . 1 ]" 2
46 1 41 ILE O 1 45 LEU N . 2.700 3.000 3.123 2.962 3.373 0.373 14 0 "[ . 1 ]" 2
47 1 42 GLU O 1 46 PHE H . . 2.000 2.008 1.939 2.087 0.087 4 0 "[ . 1 ]" 2
48 1 42 GLU O 1 46 PHE N . 2.700 3.000 2.985 2.910 3.066 0.066 4 0 "[ . 1 ]" 2
49 1 43 THR O 1 47 MET H . . 2.000 2.013 1.953 2.105 0.105 12 0 "[ . 1 ]" 2
50 1 43 THR O 1 47 MET N . 2.700 3.000 2.985 2.921 3.077 0.077 12 0 "[ . 1 ]" 2
51 1 44 LEU O 1 48 VAL H . . 2.000 2.103 2.018 2.236 0.236 11 0 "[ . 1 ]" 2
52 1 44 LEU O 1 48 VAL N . 2.700 3.000 3.077 2.990 3.210 0.210 11 0 "[ . 1 ]" 2
53 1 45 LEU O 1 49 LEU H . . 2.000 2.232 2.054 2.378 0.378 8 0 "[ . 1 ]" 2
54 1 45 LEU O 1 49 LEU N . 2.700 3.000 3.207 3.031 3.355 0.355 8 0 "[ . 1 ]" 2
55 1 46 PHE O 1 50 ASP H . . 2.000 2.000 1.940 2.066 0.066 14 0 "[ . 1 ]" 2
56 1 46 PHE O 1 50 ASP N . 2.700 3.000 2.973 2.915 3.041 0.041 14 0 "[ . 1 ]" 2
57 1 47 MET O 1 51 VAL H . . 2.000 2.039 1.967 2.142 0.142 12 0 "[ . 1 ]" 2
58 1 47 MET O 1 51 VAL N . 2.700 3.000 3.016 2.942 3.121 0.121 12 0 "[ . 1 ]" 2
59 1 48 VAL O 1 52 SER H . . 2.000 2.090 2.026 2.147 0.147 8 0 "[ . 1 ]" 2
60 1 48 VAL O 1 52 SER N . 2.700 3.000 3.067 3.003 3.125 0.125 8 0 "[ . 1 ]" 2
61 1 49 LEU O 1 53 ALA H . . 2.000 2.048 1.968 2.124 0.124 3 0 "[ . 1 ]" 2
62 1 49 LEU O 1 53 ALA N . 2.700 3.000 3.020 2.940 3.100 0.100 3 0 "[ . 1 ]" 2
63 1 50 ASP O 1 54 LYS H . . 2.000 2.073 1.948 2.421 0.421 9 0 "[ . 1 ]" 2
64 1 50 ASP O 1 54 LYS N . 2.700 3.000 3.040 2.911 3.368 0.368 9 0 "[ . 1 ]" 2
65 1 51 VAL O 1 55 VAL H . . 2.000 2.093 1.981 2.402 0.402 9 0 "[ . 1 ]" 2
66 1 51 VAL O 1 55 VAL N . 2.700 3.000 3.067 2.958 3.360 0.360 9 0 "[ . 1 ]" 2
67 1 52 SER O 1 56 GLY H . . 2.000 2.089 2.054 2.131 0.131 11 0 "[ . 1 ]" 2
68 1 52 SER O 1 56 GLY N . 2.700 3.000 3.066 3.030 3.109 0.109 11 0 "[ . 1 ]" 2
69 1 53 ALA O 1 57 PHE H . . 2.000 2.018 1.975 2.068 0.068 4 0 "[ . 1 ]" 2
70 1 53 ALA O 1 57 PHE N . 2.700 3.000 2.993 2.949 3.045 0.045 4 0 "[ . 1 ]" 2
71 1 54 LYS O 1 58 GLY H . . 2.000 2.046 1.955 2.139 0.139 12 0 "[ . 1 ]" 2
72 1 54 LYS O 1 58 GLY N . 2.700 3.000 3.020 2.924 3.113 0.113 12 0 "[ . 1 ]" 2
73 1 55 VAL O 1 59 LEU H . . 2.000 2.107 2.025 2.201 0.201 10 0 "[ . 1 ]" 2
74 1 55 VAL O 1 59 LEU N . 2.700 3.000 3.076 2.998 3.167 0.167 10 0 "[ . 1 ]" 2
75 1 56 GLY O 1 60 ILE H . . 2.000 2.074 2.003 2.172 0.172 11 0 "[ . 1 ]" 2
76 1 56 GLY O 1 60 ILE N . 2.700 3.000 3.051 2.979 3.149 0.149 11 0 "[ . 1 ]" 2
77 1 57 PHE O 1 61 LEU H . . 2.000 1.987 1.941 2.066 0.066 4 0 "[ . 1 ]" 2
78 1 57 PHE O 1 61 LEU N . 2.700 3.000 2.962 2.916 3.038 0.038 4 0 "[ . 1 ]" 2
79 1 59 LEU O 1 63 ARG H . . 2.000 2.874 2.034 4.125 2.125 12 7 "[ *- ** 1 +**]" 2
80 1 59 LEU O 1 63 ARG N . 2.700 3.000 3.199 3.012 3.725 0.725 13 2 "[ . 1 -+ ]" 2
81 1 60 ILE O 1 64 SER H . . 2.000 2.092 1.939 2.385 0.385 11 0 "[ . 1 ]" 2
82 1 60 ILE O 1 64 SER N . 2.700 3.000 3.026 2.903 3.184 0.184 4 0 "[ . 1 ]" 2
83 1 61 LEU O 1 65 ARG H . . 2.000 2.455 1.994 3.239 1.239 13 6 "[ **- 1 *+*]" 2
84 1 61 LEU O 1 65 ARG N . 2.700 3.000 3.191 2.969 3.520 0.520 4 1 "[ +. 1 ]" 2
stop_
save_
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