NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581841 |
2m9k   |
19298 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m9k
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 1119
_Distance_constraint_stats_list.Viol_count 2276
_Distance_constraint_stats_list.Viol_total 5017.550
_Distance_constraint_stats_list.Viol_max 1.958
_Distance_constraint_stats_list.Viol_rms 0.1244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0199
_Distance_constraint_stats_list.Viol_average_violations_only 0.1470
_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 3 GLU 0.317 0.142 2 0 "[ . 1 .]"
1 4 GLU 2.480 0.226 1 0 "[ . 1 .]"
1 5 VAL 1.750 0.195 3 0 "[ . 1 .]"
1 6 ARG 2.856 0.224 3 0 "[ . 1 .]"
1 7 THR 3.672 0.224 3 0 "[ . 1 .]"
1 8 LEU 7.635 0.197 10 0 "[ . 1 .]"
1 9 PHE 14.634 0.431 6 0 "[ . 1 .]"
1 10 VAL 11.839 0.323 2 0 "[ . 1 .]"
1 11 SER 11.002 0.616 11 15 [*****-****+****]
1 12 GLY 38.758 1.207 1 15 [+****-*********]
1 13 LEU 43.687 1.958 8 15 [****-**+*******]
1 14 PRO 0.033 0.016 12 0 "[ . 1 .]"
1 15 VAL 12.820 0.740 12 4 "[ * . * 1-+ .]"
1 16 ASP 27.722 1.669 2 15 [*+-************]
1 17 ILE 58.809 1.958 8 15 [*******+**-****]
1 18 LYS 2.700 0.109 4 0 "[ . 1 .]"
1 19 PRO 0.056 0.024 14 0 "[ . 1 .]"
1 20 ARG 3.300 0.207 13 0 "[ . 1 .]"
1 21 GLU 6.587 0.802 14 5 "[* . **1- +.]"
1 22 LEU 15.546 1.578 14 13 "[**-***** ** *+*]"
1 23 TYR 2.028 0.122 1 0 "[ . 1 .]"
1 24 LEU 7.995 0.802 14 5 "[* . **1- +.]"
1 25 LEU 2.460 0.114 14 0 "[ . 1 .]"
1 26 PHE 2.042 0.122 1 0 "[ . 1 .]"
1 27 ARG 0.416 0.062 12 0 "[ . 1 .]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 29 PHE 4.140 0.210 8 0 "[ . 1 .]"
1 30 LYS 4.632 0.268 4 0 "[ . 1 .]"
1 31 GLY 4.004 0.392 3 0 "[ . 1 .]"
1 32 TYR 0.473 0.092 1 0 "[ . 1 .]"
1 33 GLU 1.305 0.091 15 0 "[ . 1 .]"
1 34 GLY 5.230 0.237 6 0 "[ . 1 .]"
1 35 SER 2.630 0.177 8 0 "[ . 1 .]"
1 36 LEU 3.000 0.166 10 0 "[ . 1 .]"
1 37 ILE 1.205 0.102 6 0 "[ . 1 .]"
1 38 LYS 0.273 0.036 6 0 "[ . 1 .]"
1 39 LEU 0.385 0.061 14 0 "[ . 1 .]"
1 40 THR 2.984 0.154 14 0 "[ . 1 .]"
1 41 ALA 0.267 0.051 14 0 "[ . 1 .]"
1 42 ARG 3.436 0.154 14 0 "[ . 1 .]"
1 43 GLN 56.712 1.945 10 15 [*********+-****]
1 44 PRO 3.851 0.497 2 0 "[ . 1 .]"
1 45 VAL 0.517 0.041 9 0 "[ . 1 .]"
1 46 GLY 14.461 0.323 2 0 "[ . 1 .]"
1 47 PHE 2.562 0.166 10 0 "[ . 1 .]"
1 48 VAL 8.528 0.197 10 0 "[ . 1 .]"
1 49 ILE 3.551 0.237 6 0 "[ . 1 .]"
1 50 PHE 3.257 0.120 8 0 "[ . 1 .]"
1 51 ASP 4.551 0.392 3 0 "[ . 1 .]"
1 52 SER 10.720 0.542 6 1 "[ .+ 1 .]"
1 53 ARG 6.518 0.274 10 0 "[ . 1 .]"
1 54 ALA 1.076 0.128 15 0 "[ . 1 .]"
1 55 GLY 5.364 0.499 13 0 "[ . 1 .]"
1 56 ALA 4.800 0.542 6 1 "[ .+ 1 .]"
1 57 GLU 0.469 0.059 6 0 "[ . 1 .]"
1 58 ALA 1.187 0.053 6 0 "[ . 1 .]"
1 59 ALA 1.344 0.092 4 0 "[ . 1 .]"
1 60 LYS 2.468 0.186 9 0 "[ . 1 .]"
1 61 ASN 0.722 0.060 11 0 "[ . 1 .]"
1 62 ALA 1.396 0.092 4 0 "[ . 1 .]"
1 63 LEU 2.069 0.085 7 0 "[ . 1 .]"
1 64 ASN 4.786 0.468 14 0 "[ . 1 .]"
1 65 GLY 32.048 1.619 12 15 [*******-***+***]
1 66 ILE 3.600 0.100 11 0 "[ . 1 .]"
1 67 ARG 33.964 1.619 12 15 [-**********+***]
1 68 PHE 32.293 1.578 14 15 [**-**********+*]
1 69 ASP 2.495 0.145 8 0 "[ . 1 .]"
1 70 PRO 1.025 0.161 4 0 "[ . 1 .]"
1 71 GLU 3.302 0.289 6 0 "[ . 1 .]"
1 72 ASN 2.300 0.289 6 0 "[ . 1 .]"
1 73 PRO 0.033 0.027 1 0 "[ . 1 .]"
1 74 GLN 0.991 0.152 2 0 "[ . 1 .]"
1 75 THR 21.769 1.338 6 15 [*****+-********]
1 76 LEU 22.542 0.794 11 15 [-*********+****]
1 77 ARG 5.044 0.468 14 0 "[ . 1 .]"
1 78 LEU 1.025 0.159 12 0 "[ . 1 .]"
1 79 GLU 11.283 0.431 6 0 "[ . 1 .]"
1 80 PHE 0.691 0.061 2 0 "[ . 1 .]"
1 81 ALA 0.799 0.099 12 0 "[ . 1 .]"
1 82 LYS 1.606 0.132 12 0 "[ . 1 .]"
1 83 ALA 1.351 0.105 13 0 "[ . 1 .]"
1 84 ASN 2.003 0.146 12 0 "[ . 1 .]"
1 85 THR 0.660 0.117 3 0 "[ . 1 .]"
1 86 LYS 0.386 0.146 12 0 "[ . 1 .]"
1 87 MET 0.151 0.024 6 0 "[ . 1 .]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 89 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 90 SER 0.000 0.000 . 0 "[ . 1 .]"
2 13 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 20 ARG 1.343 0.145 8 0 "[ . 1 .]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 .]"
2 25 LEU 0.376 0.376 13 0 "[ . 1 .]"
2 66 ILE 0.000 0.000 . 0 "[ . 1 .]"
2 68 PHE 0.288 0.082 1 0 "[ . 1 .]"
2 69 ASP 0.492 0.153 15 0 "[ . 1 .]"
2 70 PRO 0.000 0.000 . 0 "[ . 1 .]"
2 76 LEU 0.141 0.078 6 0 "[ . 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 3 GLU H 1 3 GLU HA . . 3.000 2.791 2.214 2.942 . 0 0 "[ . 1 .]" 1
2 1 3 GLU H 1 3 GLU HG3 . . 5.000 3.233 2.471 4.792 . 0 0 "[ . 1 .]" 1
3 1 3 GLU H 1 3 GLU HG2 . . 5.000 3.830 2.082 4.775 . 0 0 "[ . 1 .]" 1
4 1 3 GLU HA 1 4 GLU H . . 2.600 2.323 1.999 2.742 0.142 2 0 "[ . 1 .]" 1
5 1 3 GLU H 1 4 GLU H . . 4.600 3.631 1.795 4.614 0.014 1 0 "[ . 1 .]" 1
6 1 3 GLU QB 1 4 GLU H . . 4.600 3.500 1.828 4.012 . 0 0 "[ . 1 .]" 1
7 1 4 GLU H 1 4 GLU HA . . 3.000 2.813 2.655 2.906 . 0 0 "[ . 1 .]" 1
8 1 4 GLU H 1 53 ARG HD2 . . 5.400 4.478 3.190 5.509 0.109 13 0 "[ . 1 .]" 1
9 1 4 GLU H 1 53 ARG HD3 . . 5.400 5.446 4.428 5.626 0.226 1 0 "[ . 1 .]" 1
10 1 4 GLU H 1 84 ASN HD21 . . 5.800 5.331 4.452 5.890 0.090 1 0 "[ . 1 .]" 1
11 1 4 GLU H 1 84 ASN HD22 . . 5.800 4.735 4.251 5.138 . 0 0 "[ . 1 .]" 1
12 1 4 GLU HA 1 5 VAL H . . 3.400 2.432 2.049 2.802 . 0 0 "[ . 1 .]" 1
13 1 4 GLU H 1 5 VAL H . . 4.400 4.305 3.996 4.483 0.083 5 0 "[ . 1 .]" 1
14 1 4 GLU QB 1 5 VAL H . . 5.400 2.847 1.844 3.706 . 0 0 "[ . 1 .]" 1
15 1 5 VAL H 1 5 VAL HA . . 3.000 2.882 2.826 2.939 . 0 0 "[ . 1 .]" 1
16 1 5 VAL H 1 5 VAL HB . . 2.800 2.630 2.535 2.747 . 0 0 "[ . 1 .]" 1
17 1 5 VAL H 1 53 ARG HD2 . . 5.000 4.098 3.543 5.073 0.073 13 0 "[ . 1 .]" 1
18 1 5 VAL H 1 53 ARG HD3 . . 5.000 4.931 3.796 5.195 0.195 3 0 "[ . 1 .]" 1
19 1 5 VAL H 1 84 ASN HD21 . . 5.800 5.450 4.637 5.864 0.064 6 0 "[ . 1 .]" 1
20 1 5 VAL H 1 84 ASN HD22 . . 5.800 4.237 3.561 5.810 0.010 4 0 "[ . 1 .]" 1
21 1 5 VAL HA 1 6 ARG H . . 3.000 2.073 1.951 2.172 . 0 0 "[ . 1 .]" 1
22 1 5 VAL H 1 6 ARG H . . 4.800 4.314 4.151 4.546 . 0 0 "[ . 1 .]" 1
23 1 5 VAL HB 1 6 ARG H . . 4.400 4.267 4.160 4.347 . 0 0 "[ . 1 .]" 1
24 1 5 VAL MG1 1 6 ARG H . . 6.000 2.967 2.672 3.110 . 0 0 "[ . 1 .]" 1
25 1 5 VAL MG2 1 6 ARG H . . 6.400 4.126 3.957 4.244 . 0 0 "[ . 1 .]" 1
26 1 6 ARG H 1 6 ARG HA . . 3.000 2.916 2.887 2.933 . 0 0 "[ . 1 .]" 1
27 1 6 ARG H 1 6 ARG HD2 . . 4.800 4.296 3.389 4.872 0.072 14 0 "[ . 1 .]" 1
28 1 6 ARG H 1 6 ARG HD3 . . 4.800 4.604 3.664 4.869 0.069 5 0 "[ . 1 .]" 1
29 1 6 ARG H 1 84 ASN HD21 . . 4.800 3.361 2.529 4.301 . 0 0 "[ . 1 .]" 1
30 1 6 ARG H 1 84 ASN HD22 . . 4.800 2.770 2.354 4.147 . 0 0 "[ . 1 .]" 1
31 1 6 ARG HA 1 7 THR H . . 3.000 3.104 3.042 3.224 0.224 3 0 "[ . 1 .]" 1
32 1 6 ARG H 1 7 THR H . . 4.800 2.161 1.811 2.656 . 0 0 "[ . 1 .]" 1
33 1 6 ARG QB 1 7 THR H . . 5.800 3.568 2.718 3.914 . 0 0 "[ . 1 .]" 1
34 1 6 ARG QG 1 7 THR H . . 5.800 3.681 2.790 4.917 . 0 0 "[ . 1 .]" 1
35 1 7 THR H 1 7 THR HA . . 3.000 2.917 2.897 2.948 . 0 0 "[ . 1 .]" 1
36 1 7 THR H 1 7 THR HB . . 3.400 2.729 2.568 2.926 . 0 0 "[ . 1 .]" 1
37 1 7 THR H 1 84 ASN HD21 . . 5.000 4.996 4.402 5.099 0.099 10 0 "[ . 1 .]" 1
38 1 7 THR H 1 84 ASN HD22 . . 5.200 4.465 4.056 5.300 0.100 12 0 "[ . 1 .]" 1
39 1 7 THR H 1 84 ASN HA . . 5.000 3.664 3.387 3.840 . 0 0 "[ . 1 .]" 1
40 1 7 THR H 1 84 ASN HB3 . . 5.800 4.410 2.521 5.120 . 0 0 "[ . 1 .]" 1
41 1 7 THR H 1 84 ASN HB2 . . 5.800 5.218 2.525 5.856 0.056 7 0 "[ . 1 .]" 1
42 1 7 THR H 1 81 ALA H . . 5.000 4.505 4.169 5.016 0.016 4 0 "[ . 1 .]" 1
43 1 7 THR H 1 49 ILE HA . . 5.400 4.677 4.424 4.850 . 0 0 "[ . 1 .]" 1
44 1 7 THR H 1 8 LEU MD2 . . 6.800 4.944 4.305 6.434 . 0 0 "[ . 1 .]" 1
45 1 7 THR H 1 85 THR H . . 6.000 4.609 3.912 5.120 . 0 0 "[ . 1 .]" 1
46 1 5 VAL HA 1 7 THR H . . 4.400 3.400 3.187 3.552 . 0 0 "[ . 1 .]" 1
47 1 5 VAL MG1 1 7 THR H . . 5.400 2.299 1.766 2.953 . 0 0 "[ . 1 .]" 1
48 1 5 VAL MG2 1 7 THR H . . 6.400 4.602 4.320 4.970 . 0 0 "[ . 1 .]" 1
49 1 7 THR HA 1 8 LEU H . . 2.400 2.086 2.054 2.155 . 0 0 "[ . 1 .]" 1
50 1 7 THR H 1 8 LEU H . . 4.800 4.287 4.200 4.441 . 0 0 "[ . 1 .]" 1
51 1 7 THR HB 1 8 LEU H . . 5.000 4.079 3.853 4.210 . 0 0 "[ . 1 .]" 1
52 1 7 THR MG 1 8 LEU H . . 5.400 2.664 2.358 2.855 . 0 0 "[ . 1 .]" 1
53 1 8 LEU H 1 8 LEU HA . . 3.000 2.947 2.921 2.967 . 0 0 "[ . 1 .]" 1
54 1 8 LEU H 1 48 VAL H . . 3.600 3.195 3.050 3.319 . 0 0 "[ . 1 .]" 1
55 1 8 LEU H 1 49 ILE H . . 5.000 4.933 4.861 5.019 0.019 10 0 "[ . 1 .]" 1
56 1 8 LEU H 1 50 PHE H . . 5.000 4.359 4.041 4.621 . 0 0 "[ . 1 .]" 1
57 1 8 LEU H 1 81 ALA H . . 5.400 4.580 4.316 4.784 . 0 0 "[ . 1 .]" 1
58 1 8 LEU H 1 85 THR H . . 6.000 6.028 5.851 6.117 0.117 3 0 "[ . 1 .]" 1
59 1 8 LEU H 1 49 ILE HA . . 3.600 3.569 3.353 3.679 0.079 5 0 "[ . 1 .]" 1
60 1 8 LEU H 1 48 VAL HA . . 5.000 4.739 4.648 4.849 . 0 0 "[ . 1 .]" 1
61 1 8 LEU H 1 47 PHE HA . . 5.200 4.459 4.139 4.638 . 0 0 "[ . 1 .]" 1
62 1 8 LEU H 1 48 VAL MG1 . . 6.400 4.157 3.944 4.336 . 0 0 "[ . 1 .]" 1
63 1 8 LEU H 1 48 VAL MG2 . . 6.400 4.755 4.611 4.870 . 0 0 "[ . 1 .]" 1
64 1 8 LEU HA 1 9 PHE H . . 2.400 2.225 2.149 2.322 . 0 0 "[ . 1 .]" 1
65 1 8 LEU H 1 9 PHE H . . 4.800 4.424 4.384 4.505 . 0 0 "[ . 1 .]" 1
66 1 8 LEU QB 1 9 PHE H . . 4.600 2.819 2.589 2.985 . 0 0 "[ . 1 .]" 1
67 1 8 LEU MD1 1 9 PHE H . . 6.400 4.686 4.265 4.891 . 0 0 "[ . 1 .]" 1
68 1 8 LEU MD2 1 9 PHE H . . 6.400 3.918 3.419 4.768 . 0 0 "[ . 1 .]" 1
69 1 9 PHE H 1 9 PHE HA . . 3.000 2.902 2.891 2.916 . 0 0 "[ . 1 .]" 1
70 1 9 PHE H 1 9 PHE HB3 . . 4.400 2.940 2.809 3.084 . 0 0 "[ . 1 .]" 1
71 1 9 PHE H 1 9 PHE HB2 . . 4.400 3.859 3.787 3.933 . 0 0 "[ . 1 .]" 1
72 1 9 PHE H 1 80 PHE H . . 5.000 4.679 4.543 4.774 . 0 0 "[ . 1 .]" 1
73 1 9 PHE H 1 79 GLU H . . 3.200 3.048 2.818 3.202 0.002 10 0 "[ . 1 .]" 1
74 1 9 PHE H 1 81 ALA H . . 3.600 3.433 3.209 3.605 0.005 12 0 "[ . 1 .]" 1
75 1 9 PHE H 1 48 VAL H . . 5.000 4.980 4.871 5.030 0.030 15 0 "[ . 1 .]" 1
76 1 9 PHE H 1 48 VAL MG1 . . 7.200 6.922 6.597 7.136 . 0 0 "[ . 1 .]" 1
77 1 9 PHE H 1 47 PHE HA . . 5.200 4.916 4.786 5.061 . 0 0 "[ . 1 .]" 1
78 1 9 PHE H 1 78 LEU HA . . 5.400 4.511 4.254 4.718 . 0 0 "[ . 1 .]" 1
79 1 9 PHE H 1 79 GLU HA . . 5.000 4.769 4.644 4.900 . 0 0 "[ . 1 .]" 1
80 1 9 PHE H 1 80 PHE HA . . 4.000 3.302 2.859 3.510 . 0 0 "[ . 1 .]" 1
81 1 9 PHE H 1 80 PHE HB2 . . 5.800 5.813 5.643 5.861 0.061 2 0 "[ . 1 .]" 1
82 1 9 PHE H 1 80 PHE HB3 . . 5.800 5.583 5.356 5.701 . 0 0 "[ . 1 .]" 1
83 1 9 PHE H 1 60 LYS HE2 . . 5.800 5.760 5.597 5.903 0.103 7 0 "[ . 1 .]" 1
84 1 9 PHE H 1 60 LYS HE3 . . 5.800 5.881 5.821 5.986 0.186 9 0 "[ . 1 .]" 1
85 1 9 PHE H 1 79 GLU QG . . 6.200 5.123 4.794 5.586 . 0 0 "[ . 1 .]" 1
86 1 9 PHE H 1 79 GLU QB . . 5.800 3.981 3.590 4.331 . 0 0 "[ . 1 .]" 1
87 1 9 PHE HA 1 10 VAL H . . 2.400 1.965 1.929 2.019 . 0 0 "[ . 1 .]" 1
88 1 9 PHE H 1 10 VAL H . . 4.800 4.194 4.112 4.324 . 0 0 "[ . 1 .]" 1
89 1 9 PHE HB3 1 10 VAL H . . 4.400 4.252 4.167 4.312 . 0 0 "[ . 1 .]" 1
90 1 9 PHE HB2 1 10 VAL H . . 4.400 3.413 3.125 3.597 . 0 0 "[ . 1 .]" 1
91 1 10 VAL H 1 10 VAL HA . . 3.000 2.900 2.885 2.915 . 0 0 "[ . 1 .]" 1
92 1 10 VAL H 1 10 VAL HB . . 2.600 2.507 2.468 2.583 . 0 0 "[ . 1 .]" 1
93 1 10 VAL H 1 46 GLY H . . 3.400 3.157 3.023 3.283 . 0 0 "[ . 1 .]" 1
94 1 10 VAL H 1 47 PHE H . . 5.000 4.834 4.778 4.892 . 0 0 "[ . 1 .]" 1
95 1 10 VAL H 1 48 VAL H . . 5.200 3.688 3.490 4.029 . 0 0 "[ . 1 .]" 1
96 1 10 VAL H 1 47 PHE HA . . 4.000 3.374 3.232 3.574 . 0 0 "[ . 1 .]" 1
97 1 10 VAL H 1 46 GLY HA2 . . 5.200 4.804 4.661 4.895 . 0 0 "[ . 1 .]" 1
98 1 10 VAL H 1 46 GLY HA3 . . 5.200 4.169 3.836 4.327 . 0 0 "[ . 1 .]" 1
99 1 10 VAL H 1 45 VAL HA . . 5.400 5.220 4.886 5.410 0.010 7 0 "[ . 1 .]" 1
100 1 10 VAL H 1 13 LEU QD . . 6.400 4.553 4.192 4.935 . 0 0 "[ . 1 .]" 1
101 1 10 VAL H 1 78 LEU HA . . 5.000 4.730 4.628 4.863 . 0 0 "[ . 1 .]" 1
102 1 10 VAL HA 1 11 SER H . . 2.400 2.101 2.029 2.178 . 0 0 "[ . 1 .]" 1
103 1 10 VAL H 1 11 SER H . . 4.800 4.242 4.122 4.311 . 0 0 "[ . 1 .]" 1
104 1 10 VAL HB 1 11 SER H . . 4.800 4.158 4.066 4.242 . 0 0 "[ . 1 .]" 1
105 1 10 VAL MG1 1 11 SER H . . 5.400 2.943 2.778 3.191 . 0 0 "[ . 1 .]" 1
106 1 10 VAL MG2 1 11 SER H . . 5.400 4.193 4.095 4.362 . 0 0 "[ . 1 .]" 1
107 1 11 SER H 1 11 SER HA . . 3.000 2.907 2.896 2.914 . 0 0 "[ . 1 .]" 1
108 1 11 SER H 1 11 SER HB3 . . 4.400 3.208 2.998 3.319 . 0 0 "[ . 1 .]" 1
109 1 11 SER H 1 11 SER HB2 . . 4.400 3.716 3.666 3.780 . 0 0 "[ . 1 .]" 1
110 1 11 SER H 1 77 ARG H . . 3.400 2.975 2.791 3.077 . 0 0 "[ . 1 .]" 1
111 1 11 SER H 1 78 LEU H . . 5.000 4.888 4.720 5.023 0.023 3 0 "[ . 1 .]" 1
112 1 11 SER H 1 79 GLU H . . 5.000 4.634 4.358 4.896 . 0 0 "[ . 1 .]" 1
113 1 11 SER H 1 46 GLY H . . 5.000 5.018 4.882 5.072 0.072 8 0 "[ . 1 .]" 1
114 1 11 SER H 1 13 LEU H . . 6.000 5.336 4.961 5.719 . 0 0 "[ . 1 .]" 1
115 1 11 SER H 1 78 LEU HA . . 4.000 3.412 3.159 3.566 . 0 0 "[ . 1 .]" 1
116 1 11 SER H 1 77 ARG HA . . 5.000 4.865 4.785 5.017 0.017 8 0 "[ . 1 .]" 1
117 1 11 SER H 1 76 LEU HA . . 4.800 4.483 3.982 4.805 0.005 1 0 "[ . 1 .]" 1
118 1 9 PHE HB2 1 11 SER H . . 5.800 5.675 5.208 5.843 0.043 5 0 "[ . 1 .]" 1
119 1 11 SER H 1 77 ARG QB . . 5.400 3.897 3.302 5.001 . 0 0 "[ . 1 .]" 1
120 1 11 SER H 1 77 ARG QD . . 5.800 4.928 3.497 5.714 . 0 0 "[ . 1 .]" 1
121 1 11 SER H 1 13 LEU QD . . 6.800 4.578 4.272 5.018 . 0 0 "[ . 1 .]" 1
122 1 11 SER HA 1 12 GLY H . . 2.600 2.479 2.306 2.592 . 0 0 "[ . 1 .]" 1
123 1 11 SER H 1 12 GLY H . . 3.800 4.385 4.326 4.416 0.616 11 15 [*****-****+****] 1
124 1 11 SER HB3 1 12 GLY H . . 3.600 3.640 3.611 3.666 0.066 10 0 "[ . 1 .]" 1
125 1 11 SER HB2 1 12 GLY H . . 3.600 2.323 2.175 2.620 . 0 0 "[ . 1 .]" 1
126 1 12 GLY H 1 12 GLY QA . . 2.800 2.212 2.153 2.275 . 0 0 "[ . 1 .]" 1
127 1 12 GLY H 1 46 GLY H . . 6.400 5.997 5.617 6.190 . 0 0 "[ . 1 .]" 1
128 1 12 GLY H 1 77 ARG H . . 5.000 4.683 4.512 4.836 . 0 0 "[ . 1 .]" 1
129 1 12 GLY H 1 74 GLN HE21 . . 6.800 4.577 3.641 6.156 . 0 0 "[ . 1 .]" 1
130 1 12 GLY H 1 74 GLN HE22 . . 6.800 4.300 3.369 5.559 . 0 0 "[ . 1 .]" 1
131 1 12 GLY H 1 76 LEU HA . . 4.000 4.649 4.466 4.794 0.794 11 14 "[***-* ****+****]" 1
132 1 12 GLY H 1 13 LEU QD . . 3.400 4.402 4.250 4.607 1.207 1 15 [+***-**********] 1
133 1 12 GLY QA 1 13 LEU H . . 3.600 2.760 2.565 2.910 . 0 0 "[ . 1 .]" 1
134 1 12 GLY H 1 13 LEU H . . 2.000 2.200 2.147 2.292 0.292 1 0 "[ . 1 .]" 1
135 1 13 LEU H 1 13 LEU HA . . 3.000 2.914 2.829 2.951 . 0 0 "[ . 1 .]" 1
136 1 13 LEU H 1 13 LEU HG . . 4.000 2.599 2.243 2.976 . 0 0 "[ . 1 .]" 1
137 1 13 LEU H 1 77 ARG H . . 6.000 5.607 5.306 5.981 . 0 0 "[ . 1 .]" 1
138 1 13 LEU H 1 74 GLN HE21 . . 6.400 4.046 2.860 5.702 . 0 0 "[ . 1 .]" 1
139 1 13 LEU H 1 74 GLN HE22 . . 6.400 4.559 3.565 6.156 . 0 0 "[ . 1 .]" 1
140 1 13 LEU H 1 76 LEU HA . . 5.000 4.892 4.514 5.028 0.028 9 0 "[ . 1 .]" 1
141 1 11 SER HA 1 13 LEU H . . 4.000 3.207 2.921 3.504 . 0 0 "[ . 1 .]" 1
142 1 11 SER HB3 1 13 LEU H . . 6.000 5.224 5.025 5.431 . 0 0 "[ . 1 .]" 1
143 1 11 SER HB2 1 13 LEU H . . 6.000 4.330 4.086 4.569 . 0 0 "[ . 1 .]" 1
144 1 13 LEU H 1 14 PRO HD3 . . 5.400 4.613 4.219 4.985 . 0 0 "[ . 1 .]" 1
145 1 13 LEU H 1 14 PRO HD2 . . 5.400 5.014 4.752 5.274 . 0 0 "[ . 1 .]" 1
146 1 13 LEU HA 1 14 PRO HD3 . . 3.200 2.178 1.933 2.661 . 0 0 "[ . 1 .]" 1
147 1 13 LEU HA 1 14 PRO HD2 . . 3.200 2.332 2.009 2.672 . 0 0 "[ . 1 .]" 1
148 1 13 LEU QD 1 14 PRO HD2 . . 6.400 3.208 2.997 3.612 . 0 0 "[ . 1 .]" 1
149 1 13 LEU QD 1 14 PRO HD3 . . 6.400 3.582 3.181 4.058 . 0 0 "[ . 1 .]" 1
150 1 13 LEU H 1 43 GLN QG . . 6.000 4.061 3.267 4.606 . 0 0 "[ . 1 .]" 1
151 1 14 PRO HA 1 15 VAL H . . 2.600 2.356 2.232 2.469 . 0 0 "[ . 1 .]" 1
152 1 14 PRO HD3 1 15 VAL H . . 5.800 5.663 5.503 5.791 . 0 0 "[ . 1 .]" 1
153 1 14 PRO HD2 1 15 VAL H . . 5.800 5.493 5.260 5.754 . 0 0 "[ . 1 .]" 1
154 1 15 VAL H 1 15 VAL HA . . 2.600 2.832 2.795 2.863 0.263 3 0 "[ . 1 .]" 1
155 1 15 VAL H 1 15 VAL HB . . 2.600 2.489 2.433 2.608 0.008 3 0 "[ . 1 .]" 1
156 1 15 VAL H 1 74 GLN HE21 . . 6.800 5.337 4.680 5.954 . 0 0 "[ . 1 .]" 1
157 1 15 VAL H 1 74 GLN HE22 . . 6.800 6.354 5.223 6.872 0.072 14 0 "[ . 1 .]" 1
158 1 15 VAL H 1 17 ILE H . . 4.400 4.412 4.272 4.503 0.103 1 0 "[ . 1 .]" 1
159 1 15 VAL H 1 43 GLN HA . . 4.000 4.298 3.939 4.740 0.740 12 4 "[ * . * 1-+ .]" 1
160 1 15 VAL H 1 44 PRO QD . . 3.600 3.857 3.606 4.097 0.497 2 0 "[ . 1 .]" 1
161 1 15 VAL H 1 16 ASP HB2 . . 5.400 4.923 4.504 5.526 0.126 12 0 "[ . 1 .]" 1
162 1 15 VAL H 1 16 ASP HB3 . . 5.400 4.595 4.005 5.116 . 0 0 "[ . 1 .]" 1
163 1 15 VAL HA 1 16 ASP H . . 3.600 3.193 3.050 3.318 . 0 0 "[ . 1 .]" 1
164 1 15 VAL H 1 16 ASP H . . 2.800 2.585 2.424 2.706 . 0 0 "[ . 1 .]" 1
165 1 15 VAL HB 1 16 ASP H . . 4.400 4.245 4.142 4.322 . 0 0 "[ . 1 .]" 1
166 1 15 VAL MG1 1 16 ASP H . . 5.800 3.047 2.831 3.294 . 0 0 "[ . 1 .]" 1
167 1 15 VAL MG2 1 16 ASP H . . 6.800 4.196 4.114 4.262 . 0 0 "[ . 1 .]" 1
168 1 16 ASP H 1 16 ASP HA . . 2.800 2.891 2.878 2.909 0.109 2 0 "[ . 1 .]" 1
169 1 14 PRO HA 1 16 ASP H . . 4.400 3.856 3.690 3.958 . 0 0 "[ . 1 .]" 1
170 1 16 ASP H 1 18 LYS H . . 6.200 6.146 5.989 6.287 0.087 14 0 "[ . 1 .]" 1
171 1 16 ASP H 1 44 PRO QD . . 5.000 4.301 4.124 4.499 . 0 0 "[ . 1 .]" 1
172 1 16 ASP H 1 43 GLN HA . . 4.200 5.752 5.498 5.869 1.669 2 15 [*+-************] 1
173 1 16 ASP HA 1 17 ILE H . . 3.600 2.991 2.751 3.205 . 0 0 "[ . 1 .]" 1
174 1 16 ASP H 1 17 ILE H . . 2.200 2.367 2.191 2.508 0.308 4 0 "[ . 1 .]" 1
175 1 16 ASP QB 1 17 ILE H . . 5.800 3.820 3.580 4.024 . 0 0 "[ . 1 .]" 1
176 1 17 ILE H 1 17 ILE HA . . 2.700 2.790 2.723 2.848 0.148 6 0 "[ . 1 .]" 1
177 1 17 ILE H 1 17 ILE HB . . 4.400 2.971 2.268 3.705 . 0 0 "[ . 1 .]" 1
178 1 17 ILE H 1 17 ILE MD . . 5.800 3.922 3.064 4.530 . 0 0 "[ . 1 .]" 1
179 1 13 LEU QD 1 17 ILE H . . 6.800 5.036 4.824 5.338 . 0 0 "[ . 1 .]" 1
180 1 13 LEU HA 1 17 ILE H . . 4.200 5.906 5.674 6.158 1.958 8 15 [*******+**-****] 1
181 1 17 ILE H 1 43 GLN HA . . 4.200 6.059 5.965 6.145 1.945 10 15 [*******-*+*****] 1
182 1 17 ILE H 1 44 PRO QD . . 5.000 3.964 3.707 4.191 . 0 0 "[ . 1 .]" 1
183 1 14 PRO HD3 1 17 ILE H . . 6.200 5.861 5.338 6.216 0.016 12 0 "[ . 1 .]" 1
184 1 14 PRO HD2 1 17 ILE H . . 5.800 4.468 4.016 4.898 . 0 0 "[ . 1 .]" 1
185 1 14 PRO HA 1 17 ILE H . . 6.000 5.035 4.838 5.286 . 0 0 "[ . 1 .]" 1
186 1 15 VAL HB 1 17 ILE H . . 6.000 5.690 5.405 5.831 . 0 0 "[ . 1 .]" 1
187 1 15 VAL HA 1 17 ILE H . . 4.000 3.629 3.274 3.863 . 0 0 "[ . 1 .]" 1
188 1 17 ILE HA 1 18 LYS H . . 3.200 2.043 1.976 2.117 . 0 0 "[ . 1 .]" 1
189 1 17 ILE H 1 18 LYS H . . 4.400 4.460 4.418 4.489 0.089 1 0 "[ . 1 .]" 1
190 1 17 ILE HB 1 18 LYS H . . 4.800 3.605 2.497 4.318 . 0 0 "[ . 1 .]" 1
191 1 17 ILE MD 1 18 LYS H . . 6.800 3.214 2.089 4.741 . 0 0 "[ . 1 .]" 1
192 1 17 ILE MG 1 18 LYS H . . 5.800 3.670 3.126 4.072 . 0 0 "[ . 1 .]" 1
193 1 18 LYS H 1 18 LYS HA . . 2.900 2.935 2.918 2.963 0.063 12 0 "[ . 1 .]" 1
194 1 18 LYS H 1 21 GLU H . . 5.800 4.042 3.843 4.236 . 0 0 "[ . 1 .]" 1
195 1 18 LYS H 1 22 LEU H . . 5.400 5.240 4.654 5.444 0.044 15 0 "[ . 1 .]" 1
196 1 16 ASP HA 1 18 LYS H . . 6.000 5.835 5.509 6.033 0.033 15 0 "[ . 1 .]" 1
197 1 18 LYS H 1 19 PRO HD3 . . 5.200 5.090 4.435 5.200 . 0 0 "[ . 1 .]" 1
198 1 18 LYS H 1 19 PRO HD2 . . 5.000 4.792 4.546 4.864 . 0 0 "[ . 1 .]" 1
199 1 18 LYS HA 1 19 PRO HD2 . . 3.000 2.189 1.929 2.335 . 0 0 "[ . 1 .]" 1
200 1 18 LYS HA 1 19 PRO HD3 . . 3.000 2.490 2.348 2.590 . 0 0 "[ . 1 .]" 1
201 1 19 PRO HA 1 20 ARG H . . 3.600 3.503 3.365 3.552 . 0 0 "[ . 1 .]" 1
202 1 19 PRO HD2 1 20 ARG H . . 3.600 3.152 2.855 3.624 0.024 14 0 "[ . 1 .]" 1
203 1 19 PRO HG2 1 20 ARG H . . 3.600 2.814 2.596 3.324 . 0 0 "[ . 1 .]" 1
204 1 19 PRO QB 1 20 ARG H . . 5.800 3.302 3.179 3.464 . 0 0 "[ . 1 .]" 1
205 1 20 ARG H 1 20 ARG HA . . 2.900 2.800 2.743 2.876 . 0 0 "[ . 1 .]" 1
206 1 20 ARG H 1 20 ARG HD2 . . 4.000 3.825 3.325 4.207 0.207 13 0 "[ . 1 .]" 1
207 1 20 ARG H 1 20 ARG HD3 . . 4.000 2.631 1.802 3.490 . 0 0 "[ . 1 .]" 1
208 1 18 LYS HA 1 20 ARG H . . 4.000 4.060 3.989 4.109 0.109 4 0 "[ . 1 .]" 1
209 1 20 ARG H 1 22 LEU H . . 4.800 4.385 4.224 4.464 . 0 0 "[ . 1 .]" 1
210 1 20 ARG H 1 23 TYR H . . 4.800 4.808 4.599 4.862 0.062 8 0 "[ . 1 .]" 1
211 1 20 ARG HA 1 21 GLU H . . 3.600 3.453 3.315 3.543 . 0 0 "[ . 1 .]" 1
212 1 20 ARG H 1 21 GLU H . . 2.800 2.506 2.315 2.739 . 0 0 "[ . 1 .]" 1
213 1 20 ARG QB 1 21 GLU H . . 4.800 3.699 3.495 3.919 . 0 0 "[ . 1 .]" 1
214 1 20 ARG HD3 1 21 GLU H . . 4.800 4.223 3.334 4.846 0.046 13 0 "[ . 1 .]" 1
215 1 20 ARG HD2 1 21 GLU H . . 5.400 5.042 4.861 5.268 . 0 0 "[ . 1 .]" 1
216 1 21 GLU H 1 21 GLU HA . . 2.900 2.833 2.818 2.857 . 0 0 "[ . 1 .]" 1
217 1 19 PRO HA 1 21 GLU H . . 5.000 3.975 3.814 4.109 . 0 0 "[ . 1 .]" 1
218 1 21 GLU H 1 23 TYR H . . 4.400 3.771 3.536 3.986 . 0 0 "[ . 1 .]" 1
219 1 21 GLU H 1 24 LEU H . . 5.200 4.606 4.500 4.735 . 0 0 "[ . 1 .]" 1
220 1 21 GLU HA 1 22 LEU H . . 3.600 3.503 3.469 3.546 . 0 0 "[ . 1 .]" 1
221 1 21 GLU H 1 22 LEU H . . 2.800 2.543 2.441 2.655 . 0 0 "[ . 1 .]" 1
222 1 21 GLU QB 1 22 LEU H . . 5.400 2.602 2.321 3.425 . 0 0 "[ . 1 .]" 1
223 1 21 GLU QG 1 22 LEU H . . 5.800 3.762 2.325 4.031 . 0 0 "[ . 1 .]" 1
224 1 22 LEU H 1 22 LEU HA . . 2.800 2.826 2.808 2.848 0.048 1 0 "[ . 1 .]" 1
225 1 19 PRO HA 1 22 LEU H . . 4.000 3.785 3.425 4.012 0.012 15 0 "[ . 1 .]" 1
226 1 22 LEU H 1 24 LEU H . . 4.400 4.163 4.066 4.278 . 0 0 "[ . 1 .]" 1
227 1 22 LEU HA 1 23 TYR H . . 3.600 3.436 3.354 3.490 . 0 0 "[ . 1 .]" 1
228 1 22 LEU H 1 23 TYR H . . 2.800 2.492 2.363 2.641 . 0 0 "[ . 1 .]" 1
229 1 22 LEU QB 1 23 TYR H . . 5.400 2.582 2.363 2.904 . 0 0 "[ . 1 .]" 1
230 1 22 LEU MD1 1 23 TYR H . . 6.400 4.508 4.267 4.790 . 0 0 "[ . 1 .]" 1
231 1 22 LEU MD2 1 23 TYR H . . 6.400 4.612 4.546 4.666 . 0 0 "[ . 1 .]" 1
232 1 23 TYR H 1 23 TYR HA . . 2.800 2.799 2.773 2.842 0.042 1 0 "[ . 1 .]" 1
233 1 21 GLU HA 1 23 TYR H . . 4.600 4.178 3.907 4.495 . 0 0 "[ . 1 .]" 1
234 1 23 TYR H 1 25 LEU H . . 4.200 4.031 3.722 4.204 0.004 13 0 "[ . 1 .]" 1
235 1 23 TYR HA 1 24 LEU H . . 3.600 3.539 3.517 3.564 . 0 0 "[ . 1 .]" 1
236 1 23 TYR H 1 24 LEU H . . 2.800 2.719 2.481 2.811 0.011 14 0 "[ . 1 .]" 1
237 1 23 TYR QB 1 24 LEU H . . 5.400 2.385 2.194 3.077 . 0 0 "[ . 1 .]" 1
238 1 24 LEU H 1 24 LEU HA . . 2.800 2.819 2.805 2.829 0.029 9 0 "[ . 1 .]" 1
239 1 24 LEU H 1 24 LEU HB3 . . 4.400 3.601 3.576 3.617 . 0 0 "[ . 1 .]" 1
240 1 24 LEU H 1 24 LEU HB2 . . 4.400 2.522 2.453 2.569 . 0 0 "[ . 1 .]" 1
241 1 21 GLU HA 1 24 LEU H . . 3.600 3.300 3.110 3.450 . 0 0 "[ . 1 .]" 1
242 1 22 LEU HA 1 24 LEU H . . 4.400 4.436 4.399 4.475 0.075 14 0 "[ . 1 .]" 1
243 1 24 LEU H 1 26 PHE H . . 4.200 4.173 4.053 4.257 0.057 9 0 "[ . 1 .]" 1
244 1 24 LEU HA 1 25 LEU H . . 3.600 3.476 3.438 3.499 . 0 0 "[ . 1 .]" 1
245 1 24 LEU H 1 25 LEU H . . 2.800 2.562 2.458 2.634 . 0 0 "[ . 1 .]" 1
246 1 24 LEU HB3 1 25 LEU H . . 4.600 3.663 3.488 3.784 . 0 0 "[ . 1 .]" 1
247 1 24 LEU HB2 1 25 LEU H . . 4.600 2.611 2.507 2.800 . 0 0 "[ . 1 .]" 1
248 1 25 LEU H 1 25 LEU HA . . 2.800 2.840 2.821 2.869 0.069 3 0 "[ . 1 .]" 1
249 1 25 LEU H 1 25 LEU HB3 . . 4.400 2.513 2.448 2.542 . 0 0 "[ . 1 .]" 1
250 1 25 LEU H 1 25 LEU HB2 . . 4.400 2.454 2.398 2.556 . 0 0 "[ . 1 .]" 1
251 1 22 LEU HA 1 25 LEU H . . 3.600 3.471 3.274 3.599 . 0 0 "[ . 1 .]" 1
252 1 21 GLU HA 1 25 LEU H . . 4.600 4.136 3.771 4.327 . 0 0 "[ . 1 .]" 1
253 1 23 TYR HA 1 25 LEU H . . 4.400 4.422 4.329 4.473 0.073 5 0 "[ . 1 .]" 1
254 1 25 LEU H 1 27 ARG H . . 4.200 3.992 3.815 4.181 . 0 0 "[ . 1 .]" 1
255 1 25 LEU HA 1 26 PHE H . . 3.600 3.561 3.528 3.598 . 0 0 "[ . 1 .]" 1
256 1 25 LEU H 1 26 PHE H . . 2.800 2.618 2.474 2.782 . 0 0 "[ . 1 .]" 1
257 1 25 LEU HB3 1 26 PHE H . . 4.600 2.629 2.390 2.879 . 0 0 "[ . 1 .]" 1
258 1 25 LEU HB2 1 26 PHE H . . 4.600 3.871 3.752 4.054 . 0 0 "[ . 1 .]" 1
259 1 26 PHE H 1 26 PHE HA . . 2.800 2.864 2.846 2.884 0.084 9 0 "[ . 1 .]" 1
260 1 23 TYR HA 1 26 PHE H . . 3.600 3.632 3.456 3.722 0.122 1 0 "[ . 1 .]" 1
261 1 22 LEU HA 1 26 PHE H . . 4.200 3.872 3.600 4.009 . 0 0 "[ . 1 .]" 1
262 1 24 LEU HA 1 26 PHE H . . 4.600 4.583 4.441 4.645 0.045 8 0 "[ . 1 .]" 1
263 1 26 PHE H 1 63 LEU MD1 . . 6.400 5.131 4.755 5.395 . 0 0 "[ . 1 .]" 1
264 1 26 PHE HA 1 27 ARG H . . 3.600 3.250 3.048 3.389 . 0 0 "[ . 1 .]" 1
265 1 26 PHE H 1 27 ARG H . . 2.800 2.532 2.366 2.686 . 0 0 "[ . 1 .]" 1
266 1 26 PHE QB 1 27 ARG H . . 5.400 3.483 3.305 3.680 . 0 0 "[ . 1 .]" 1
267 1 27 ARG H 1 27 ARG HA . . 2.800 2.798 2.747 2.825 0.025 3 0 "[ . 1 .]" 1
268 1 24 LEU HA 1 27 ARG H . . 4.000 3.847 3.606 4.044 0.044 6 0 "[ . 1 .]" 1
269 1 23 TYR HA 1 27 ARG H . . 4.600 4.290 3.631 4.662 0.062 12 0 "[ . 1 .]" 1
270 1 25 LEU HA 1 27 ARG H . . 4.400 4.170 3.865 4.417 0.017 3 0 "[ . 1 .]" 1
271 1 27 ARG H 1 29 PHE H . . 5.000 4.005 3.802 4.219 . 0 0 "[ . 1 .]" 1
272 1 27 ARG HA 1 28 PRO HD2 . . 4.800 4.179 3.859 4.491 . 0 0 "[ . 1 .]" 1
273 1 27 ARG HA 1 28 PRO HD3 . . 4.800 4.037 3.806 4.338 . 0 0 "[ . 1 .]" 1
274 1 27 ARG H 1 28 PRO HD2 . . 3.400 2.716 2.261 3.184 . 0 0 "[ . 1 .]" 1
275 1 27 ARG H 1 28 PRO HD3 . . 4.400 2.884 2.433 3.397 . 0 0 "[ . 1 .]" 1
276 1 28 PRO HA 1 29 PHE H . . 3.600 3.404 3.330 3.502 . 0 0 "[ . 1 .]" 1
277 1 28 PRO HD2 1 29 PHE H . . 3.200 2.823 2.689 2.995 . 0 0 "[ . 1 .]" 1
278 1 28 PRO HD3 1 29 PHE H . . 5.000 3.915 3.735 4.058 . 0 0 "[ . 1 .]" 1
279 1 29 PHE H 1 29 PHE HA . . 2.800 2.871 2.857 2.889 0.089 11 0 "[ . 1 .]" 1
280 1 27 ARG HA 1 29 PHE H . . 4.400 3.779 3.651 3.972 . 0 0 "[ . 1 .]" 1
281 1 26 PHE HA 1 29 PHE H . . 4.400 3.281 3.079 3.528 . 0 0 "[ . 1 .]" 1
282 1 29 PHE H 1 31 GLY H . . 6.000 5.996 5.886 6.059 0.059 4 0 "[ . 1 .]" 1
283 1 29 PHE H 1 32 TYR H . . 5.800 5.391 5.135 5.595 . 0 0 "[ . 1 .]" 1
284 1 29 PHE H 1 32 TYR HB2 . . 5.400 5.044 4.567 5.407 0.007 12 0 "[ . 1 .]" 1
285 1 29 PHE H 1 32 TYR HB3 . . 5.400 4.981 4.276 5.413 0.013 10 0 "[ . 1 .]" 1
286 1 26 PHE HB2 1 29 PHE H . . 5.400 5.330 5.089 5.457 0.057 3 0 "[ . 1 .]" 1
287 1 26 PHE HB3 1 29 PHE H . . 5.400 4.322 3.987 4.653 . 0 0 "[ . 1 .]" 1
288 1 29 PHE H 1 63 LEU MD1 . . 6.400 5.791 5.220 6.047 . 0 0 "[ . 1 .]" 1
289 1 29 PHE HA 1 30 LYS H . . 2.200 2.022 1.876 2.155 . 0 0 "[ . 1 .]" 1
290 1 29 PHE H 1 30 LYS H . . 4.000 4.027 3.925 4.210 0.210 8 0 "[ . 1 .]" 1
291 1 29 PHE QB 1 30 LYS H . . 5.800 3.581 3.247 3.751 . 0 0 "[ . 1 .]" 1
292 1 30 LYS H 1 30 LYS HA . . 2.600 2.825 2.789 2.868 0.268 4 0 "[ . 1 .]" 1
293 1 30 LYS H 1 32 TYR H . . 5.000 4.851 4.631 5.041 0.041 1 0 "[ . 1 .]" 1
294 1 30 LYS HA 1 31 GLY H . . 2.400 2.028 1.938 2.110 . 0 0 "[ . 1 .]" 1
295 1 30 LYS H 1 31 GLY H . . 4.800 4.299 4.280 4.327 . 0 0 "[ . 1 .]" 1
296 1 30 LYS HB3 1 31 GLY H . . 4.800 3.737 3.495 4.281 . 0 0 "[ . 1 .]" 1
297 1 30 LYS HB2 1 31 GLY H . . 4.800 4.070 3.365 4.376 . 0 0 "[ . 1 .]" 1
298 1 31 GLY H 1 31 GLY QA . . 2.800 2.416 2.368 2.438 . 0 0 "[ . 1 .]" 1
299 1 31 GLY H 1 33 GLU H . . 6.000 5.749 5.395 5.889 . 0 0 "[ . 1 .]" 1
300 1 31 GLY H 1 51 ASP H . . 5.200 5.191 4.991 5.273 0.073 2 0 "[ . 1 .]" 1
301 1 29 PHE HA 1 31 GLY H . . 5.400 5.455 5.428 5.488 0.088 2 0 "[ . 1 .]" 1
302 1 31 GLY QA 1 32 TYR H . . 3.600 2.847 2.739 2.929 . 0 0 "[ . 1 .]" 1
303 1 31 GLY H 1 32 TYR H . . 2.200 2.151 2.101 2.202 0.002 12 0 "[ . 1 .]" 1
304 1 32 TYR H 1 32 TYR HA . . 2.800 2.776 2.741 2.814 0.014 5 0 "[ . 1 .]" 1
305 1 32 TYR H 1 32 TYR HB2 . . 3.000 2.599 2.484 2.682 . 0 0 "[ . 1 .]" 1
306 1 32 TYR H 1 32 TYR HB3 . . 3.400 2.368 2.288 2.441 . 0 0 "[ . 1 .]" 1
307 1 32 TYR H 1 51 ASP H . . 5.000 4.770 4.649 4.919 . 0 0 "[ . 1 .]" 1
308 1 29 PHE HA 1 32 TYR H . . 5.400 5.217 4.961 5.450 0.050 4 0 "[ . 1 .]" 1
309 1 29 PHE QB 1 32 TYR H . . 5.400 3.739 3.461 3.945 . 0 0 "[ . 1 .]" 1
310 1 30 LYS HA 1 32 TYR H . . 4.800 3.478 3.172 3.629 . 0 0 "[ . 1 .]" 1
311 1 32 TYR H 1 48 VAL MG1 . . 6.800 5.460 5.268 5.690 . 0 0 "[ . 1 .]" 1
312 1 32 TYR H 1 50 PHE HA . . 4.800 4.620 4.437 4.791 . 0 0 "[ . 1 .]" 1
313 1 32 TYR HA 1 33 GLU H . . 2.600 2.157 2.100 2.222 . 0 0 "[ . 1 .]" 1
314 1 32 TYR H 1 33 GLU H . . 4.800 4.402 4.183 4.544 . 0 0 "[ . 1 .]" 1
315 1 32 TYR QB 1 33 GLU H . . 5.400 3.911 3.824 4.000 . 0 0 "[ . 1 .]" 1
316 1 33 GLU H 1 33 GLU HA . . 2.900 2.903 2.874 2.922 0.022 12 0 "[ . 1 .]" 1
317 1 33 GLU H 1 49 ILE H . . 5.000 4.430 4.233 4.646 . 0 0 "[ . 1 .]" 1
318 1 33 GLU H 1 50 PHE H . . 5.400 4.635 4.572 4.756 . 0 0 "[ . 1 .]" 1
319 1 33 GLU H 1 51 ASP H . . 4.000 3.827 3.716 4.002 0.002 12 0 "[ . 1 .]" 1
320 1 33 GLU H 1 50 PHE HA . . 3.400 2.491 2.319 2.703 . 0 0 "[ . 1 .]" 1
321 1 33 GLU H 1 49 ILE HA . . 6.400 5.163 5.054 5.391 . 0 0 "[ . 1 .]" 1
322 1 31 GLY QA 1 33 GLU H . . 6.000 4.852 4.319 5.209 . 0 0 "[ . 1 .]" 1
323 1 33 GLU H 1 50 PHE HB2 . . 6.000 5.398 5.281 5.579 . 0 0 "[ . 1 .]" 1
324 1 33 GLU H 1 50 PHE HB3 . . 6.000 4.963 4.739 5.171 . 0 0 "[ . 1 .]" 1
325 1 33 GLU H 1 48 VAL MG1 . . 6.800 3.920 3.741 4.387 . 0 0 "[ . 1 .]" 1
326 1 33 GLU H 1 48 VAL MG2 . . 6.800 6.282 6.086 6.653 . 0 0 "[ . 1 .]" 1
327 1 33 GLU HA 1 34 GLY H . . 3.400 3.473 3.439 3.491 0.091 15 0 "[ . 1 .]" 1
328 1 33 GLU H 1 34 GLY H . . 2.600 2.269 2.047 2.418 . 0 0 "[ . 1 .]" 1
329 1 33 GLU QB 1 34 GLY H . . 4.600 2.370 2.115 2.714 . 0 0 "[ . 1 .]" 1
330 1 33 GLU QG 1 34 GLY H . . 5.800 3.910 3.721 4.032 . 0 0 "[ . 1 .]" 1
331 1 34 GLY H 1 49 ILE H . . 3.600 3.196 3.087 3.293 . 0 0 "[ . 1 .]" 1
332 1 34 GLY H 1 50 PHE H . . 5.400 5.337 5.202 5.410 0.010 6 0 "[ . 1 .]" 1
333 1 34 GLY H 1 51 ASP H . . 5.800 5.857 5.801 5.911 0.111 14 0 "[ . 1 .]" 1
334 1 34 GLY H 1 50 PHE HA . . 5.000 4.282 4.130 4.431 . 0 0 "[ . 1 .]" 1
335 1 34 GLY H 1 49 ILE HA . . 5.000 4.965 4.849 5.025 0.025 1 0 "[ . 1 .]" 1
336 1 34 GLY H 1 48 VAL HA . . 5.000 4.730 4.615 4.947 . 0 0 "[ . 1 .]" 1
337 1 34 GLY H 1 49 ILE MG . . 5.400 3.215 1.981 4.636 . 0 0 "[ . 1 .]" 1
338 1 34 GLY H 1 48 VAL MG1 . . 6.800 3.642 3.412 4.101 . 0 0 "[ . 1 .]" 1
339 1 34 GLY H 1 48 VAL MG2 . . 6.800 5.502 5.273 5.799 . 0 0 "[ . 1 .]" 1
340 1 34 GLY H 1 87 MET HG3 . . 6.400 4.837 3.250 6.419 0.019 1 0 "[ . 1 .]" 1
341 1 34 GLY H 1 87 MET HG2 . . 6.400 5.095 3.891 6.403 0.003 12 0 "[ . 1 .]" 1
342 1 34 GLY HA2 1 35 SER H . . 2.600 2.545 2.405 2.620 0.020 7 0 "[ . 1 .]" 1
343 1 34 GLY HA3 1 35 SER H . . 3.400 2.589 2.470 2.719 . 0 0 "[ . 1 .]" 1
344 1 34 GLY H 1 35 SER H . . 4.400 4.400 4.354 4.426 0.026 14 0 "[ . 1 .]" 1
345 1 35 SER H 1 35 SER HA . . 3.000 2.902 2.861 2.928 . 0 0 "[ . 1 .]" 1
346 1 35 SER H 1 49 ILE H . . 5.400 4.726 4.468 4.897 . 0 0 "[ . 1 .]" 1
347 1 35 SER H 1 48 VAL HA . . 5.000 4.723 4.691 4.761 . 0 0 "[ . 1 .]" 1
348 1 35 SER H 1 48 VAL MG1 . . 6.800 4.779 4.588 5.094 . 0 0 "[ . 1 .]" 1
349 1 35 SER H 1 48 VAL MG2 . . 6.800 4.897 4.592 5.113 . 0 0 "[ . 1 .]" 1
350 1 35 SER H 1 87 MET HG2 . . 6.000 4.914 3.519 6.024 0.024 6 0 "[ . 1 .]" 1
351 1 35 SER H 1 87 MET HG3 . . 6.000 5.231 3.459 6.020 0.020 4 0 "[ . 1 .]" 1
352 1 35 SER HA 1 36 LEU H . . 2.400 2.188 2.151 2.242 . 0 0 "[ . 1 .]" 1
353 1 35 SER H 1 36 LEU H . . 4.600 4.254 4.161 4.334 . 0 0 "[ . 1 .]" 1
354 1 35 SER HB2 1 36 LEU H . . 4.000 3.148 3.063 3.215 . 0 0 "[ . 1 .]" 1
355 1 35 SER HB3 1 36 LEU H . . 4.000 4.010 3.944 4.035 0.035 12 0 "[ . 1 .]" 1
356 1 36 LEU H 1 36 LEU HA . . 3.000 2.932 2.915 2.951 . 0 0 "[ . 1 .]" 1
357 1 36 LEU H 1 36 LEU HB3 . . 3.600 3.281 2.499 3.696 0.096 10 0 "[ . 1 .]" 1
358 1 36 LEU H 1 36 LEU HB2 . . 3.600 2.638 2.451 3.062 . 0 0 "[ . 1 .]" 1
359 1 36 LEU H 1 47 PHE H . . 3.600 3.024 2.725 3.174 . 0 0 "[ . 1 .]" 1
360 1 36 LEU H 1 48 VAL H . . 5.200 4.671 4.577 4.764 . 0 0 "[ . 1 .]" 1
361 1 36 LEU H 1 49 ILE H . . 5.000 4.524 4.282 4.886 . 0 0 "[ . 1 .]" 1
362 1 36 LEU H 1 48 VAL HA . . 4.000 3.383 3.273 3.473 . 0 0 "[ . 1 .]" 1
363 1 36 LEU H 1 47 PHE HA . . 5.000 4.562 4.448 4.650 . 0 0 "[ . 1 .]" 1
364 1 36 LEU H 1 46 GLY HA2 . . 5.200 4.245 4.035 4.506 . 0 0 "[ . 1 .]" 1
365 1 36 LEU H 1 46 GLY HA3 . . 5.200 4.738 4.496 4.889 . 0 0 "[ . 1 .]" 1
366 1 36 LEU H 1 47 PHE HB2 . . 5.000 3.210 3.026 3.344 . 0 0 "[ . 1 .]" 1
367 1 36 LEU H 1 47 PHE HB3 . . 5.000 4.377 4.214 4.510 . 0 0 "[ . 1 .]" 1
368 1 36 LEU H 1 48 VAL MG1 . . 6.800 5.071 4.947 5.253 . 0 0 "[ . 1 .]" 1
369 1 36 LEU H 1 48 VAL MG2 . . 6.800 3.936 3.740 4.114 . 0 0 "[ . 1 .]" 1
370 1 36 LEU HA 1 37 ILE H . . 2.600 2.168 2.116 2.372 . 0 0 "[ . 1 .]" 1
371 1 36 LEU H 1 37 ILE H . . 4.800 4.278 4.101 4.471 . 0 0 "[ . 1 .]" 1
372 1 36 LEU HB3 1 37 ILE H . . 4.400 3.599 2.707 4.335 . 0 0 "[ . 1 .]" 1
373 1 36 LEU HB2 1 37 ILE H . . 4.400 4.264 3.942 4.406 0.006 9 0 "[ . 1 .]" 1
374 1 37 ILE H 1 37 ILE HA . . 3.000 2.914 2.873 2.945 . 0 0 "[ . 1 .]" 1
375 1 37 ILE H 1 37 ILE HB . . 3.600 2.562 2.347 3.688 0.088 9 0 "[ . 1 .]" 1
376 1 37 ILE H 1 37 ILE MD . . 5.800 2.999 1.760 3.799 . 0 0 "[ . 1 .]" 1
377 1 37 ILE H 1 47 PHE H . . 5.000 4.792 4.607 4.865 . 0 0 "[ . 1 .]" 1
378 1 37 ILE H 1 46 GLY HA2 . . 5.000 4.607 4.234 4.725 . 0 0 "[ . 1 .]" 1
379 1 37 ILE H 1 46 GLY HA3 . . 5.800 5.663 5.341 5.829 0.029 13 0 "[ . 1 .]" 1
380 1 37 ILE HA 1 38 LYS H . . 2.400 2.225 2.105 2.294 . 0 0 "[ . 1 .]" 1
381 1 37 ILE H 1 38 LYS H . . 4.800 4.496 4.419 4.554 . 0 0 "[ . 1 .]" 1
382 1 37 ILE MG 1 38 LYS H . . 5.400 2.645 2.428 3.859 . 0 0 "[ . 1 .]" 1
383 1 38 LYS H 1 38 LYS HA . . 3.000 2.916 2.893 2.933 . 0 0 "[ . 1 .]" 1
384 1 38 LYS H 1 38 LYS HB3 . . 4.000 2.609 2.422 2.756 . 0 0 "[ . 1 .]" 1
385 1 38 LYS H 1 38 LYS HB2 . . 4.000 3.085 2.868 3.294 . 0 0 "[ . 1 .]" 1
386 1 38 LYS H 1 45 VAL H . . 3.200 3.188 3.048 3.236 0.036 6 0 "[ . 1 .]" 1
387 1 38 LYS H 1 46 GLY H . . 5.000 4.868 4.757 4.963 . 0 0 "[ . 1 .]" 1
388 1 38 LYS H 1 47 PHE H . . 5.000 4.436 4.130 5.006 0.006 13 0 "[ . 1 .]" 1
389 1 38 LYS H 1 47 PHE QE . . 7.000 4.488 4.079 4.920 . 0 0 "[ . 1 .]" 1
390 1 38 LYS H 1 47 PHE QD . . 7.000 4.272 3.826 4.602 . 0 0 "[ . 1 .]" 1
391 1 38 LYS H 1 46 GLY HA2 . . 3.400 3.320 3.272 3.378 . 0 0 "[ . 1 .]" 1
392 1 38 LYS H 1 46 GLY HA3 . . 4.800 4.735 4.683 4.835 0.035 9 0 "[ . 1 .]" 1
393 1 38 LYS H 1 45 VAL HA . . 5.800 4.641 4.482 4.721 . 0 0 "[ . 1 .]" 1
394 1 38 LYS H 1 40 THR H . . 6.000 5.755 5.437 5.972 . 0 0 "[ . 1 .]" 1
395 1 38 LYS HA 1 39 LEU H . . 2.600 2.125 2.059 2.188 . 0 0 "[ . 1 .]" 1
396 1 38 LYS H 1 39 LEU H . . 4.600 4.057 3.916 4.303 . 0 0 "[ . 1 .]" 1
397 1 38 LYS HB3 1 39 LEU H . . 4.400 4.306 4.088 4.407 0.007 13 0 "[ . 1 .]" 1
398 1 38 LYS HB2 1 39 LEU H . . 4.400 4.350 4.084 4.419 0.019 2 0 "[ . 1 .]" 1
399 1 39 LEU H 1 39 LEU HA . . 3.000 2.835 2.798 2.870 . 0 0 "[ . 1 .]" 1
400 1 39 LEU H 1 45 VAL H . . 5.000 4.980 4.847 5.041 0.041 9 0 "[ . 1 .]" 1
401 1 39 LEU HA 1 40 THR H . . 2.800 2.153 2.051 2.208 . 0 0 "[ . 1 .]" 1
402 1 39 LEU H 1 40 THR H . . 4.600 4.470 4.379 4.564 . 0 0 "[ . 1 .]" 1
403 1 39 LEU QB 1 40 THR H . . 5.400 3.789 3.258 3.967 . 0 0 "[ . 1 .]" 1
404 1 40 THR H 1 40 THR HA . . 2.800 2.878 2.865 2.891 0.091 7 0 "[ . 1 .]" 1
405 1 40 THR H 1 40 THR HB . . 3.400 2.660 2.516 2.786 . 0 0 "[ . 1 .]" 1
406 1 40 THR H 1 45 VAL H . . 4.000 3.679 3.279 4.035 0.035 1 0 "[ . 1 .]" 1
407 1 40 THR H 1 43 GLN H . . 4.000 3.494 3.261 3.837 . 0 0 "[ . 1 .]" 1
408 1 40 THR H 1 44 PRO HA . . 2.600 2.556 2.528 2.584 . 0 0 "[ . 1 .]" 1
409 1 40 THR H 1 42 ARG HA . . 6.400 6.372 6.196 6.445 0.045 4 0 "[ . 1 .]" 1
410 1 40 THR H 1 44 PRO QD . . 6.000 4.147 3.788 4.488 . 0 0 "[ . 1 .]" 1
411 1 40 THR H 1 43 GLN HG2 . . 5.800 5.217 4.813 5.568 . 0 0 "[ . 1 .]" 1
412 1 40 THR HA 1 41 ALA H . . 2.800 2.415 2.220 2.542 . 0 0 "[ . 1 .]" 1
413 1 40 THR H 1 41 ALA H . . 4.800 4.314 4.207 4.409 . 0 0 "[ . 1 .]" 1
414 1 40 THR HB 1 41 ALA H . . 3.600 3.538 3.171 3.651 0.051 14 0 "[ . 1 .]" 1
415 1 40 THR MG 1 41 ALA H . . 6.400 2.008 1.769 2.169 . 0 0 "[ . 1 .]" 1
416 1 41 ALA H 1 41 ALA HA . . 2.800 2.724 2.682 2.767 . 0 0 "[ . 1 .]" 1
417 1 41 ALA H 1 43 GLN H . . 4.800 4.293 4.097 4.504 . 0 0 "[ . 1 .]" 1
418 1 41 ALA HA 1 42 ARG H . . 3.600 3.498 3.473 3.527 . 0 0 "[ . 1 .]" 1
419 1 41 ALA H 1 42 ARG H . . 3.000 2.945 2.799 3.029 0.029 14 0 "[ . 1 .]" 1
420 1 41 ALA MB 1 42 ARG H . . 4.400 2.670 2.425 2.895 . 0 0 "[ . 1 .]" 1
421 1 42 ARG H 1 42 ARG HA . . 2.800 2.886 2.845 2.908 0.108 14 0 "[ . 1 .]" 1
422 1 42 ARG H 1 42 ARG QG . . 5.000 3.300 2.343 4.107 . 0 0 "[ . 1 .]" 1
423 1 40 THR HA 1 42 ARG H . . 4.400 4.478 4.387 4.554 0.154 14 0 "[ . 1 .]" 1
424 1 40 THR HB 1 42 ARG H . . 4.400 3.285 2.962 3.728 . 0 0 "[ . 1 .]" 1
425 1 40 THR MG 1 42 ARG H . . 6.400 2.865 2.530 3.164 . 0 0 "[ . 1 .]" 1
426 1 42 ARG HA 1 43 GLN H . . 3.400 3.431 3.273 3.494 0.094 12 0 "[ . 1 .]" 1
427 1 42 ARG H 1 43 GLN H . . 3.200 2.243 2.046 2.500 . 0 0 "[ . 1 .]" 1
428 1 42 ARG QB 1 43 GLN H . . 4.600 2.958 2.476 3.864 . 0 0 "[ . 1 .]" 1
429 1 42 ARG QG 1 43 GLN H . . 5.800 4.022 2.945 4.637 . 0 0 "[ . 1 .]" 1
430 1 43 GLN H 1 43 GLN HA . . 3.000 2.872 2.804 2.935 . 0 0 "[ . 1 .]" 1
431 1 43 GLN H 1 45 VAL H . . 5.800 5.427 4.980 5.803 0.003 1 0 "[ . 1 .]" 1
432 1 40 THR HA 1 43 GLN H . . 4.800 4.724 4.553 4.886 0.086 7 0 "[ . 1 .]" 1
433 1 40 THR HB 1 43 GLN H . . 4.400 2.653 2.346 2.922 . 0 0 "[ . 1 .]" 1
434 1 40 THR MG 1 43 GLN H . . 6.400 3.680 3.364 4.013 . 0 0 "[ . 1 .]" 1
435 1 39 LEU MD1 1 43 GLN H . . 6.400 4.787 4.278 5.439 . 0 0 "[ . 1 .]" 1
436 1 39 LEU MD2 1 43 GLN H . . 6.400 4.808 3.978 6.461 0.061 14 0 "[ . 1 .]" 1
437 1 15 VAL MG2 1 43 GLN H . . 7.400 4.582 3.647 5.473 . 0 0 "[ . 1 .]" 1
438 1 43 GLN H 1 44 PRO QD . . 4.800 3.962 3.503 4.202 . 0 0 "[ . 1 .]" 1
439 1 43 GLN HA 1 44 PRO QD . . 3.000 1.956 1.874 2.042 . 0 0 "[ . 1 .]" 1
440 1 44 PRO HA 1 45 VAL H . . 2.400 2.097 2.024 2.161 . 0 0 "[ . 1 .]" 1
441 1 44 PRO QD 1 45 VAL H . . 5.400 4.729 4.643 4.841 . 0 0 "[ . 1 .]" 1
442 1 45 VAL H 1 45 VAL HA . . 3.000 2.909 2.862 2.930 . 0 0 "[ . 1 .]" 1
443 1 45 VAL H 1 45 VAL HB . . 4.400 3.718 3.682 3.790 . 0 0 "[ . 1 .]" 1
444 1 39 LEU HA 1 45 VAL H . . 4.000 3.715 3.528 3.958 . 0 0 "[ . 1 .]" 1
445 1 38 LYS HA 1 45 VAL H . . 5.400 4.952 4.819 5.034 . 0 0 "[ . 1 .]" 1
446 1 43 GLN HG2 1 45 VAL H . . 6.000 5.344 4.082 6.007 0.007 1 0 "[ . 1 .]" 1
447 1 43 GLN HG3 1 45 VAL H . . 6.000 4.294 3.672 6.008 0.008 3 0 "[ . 1 .]" 1
448 1 13 LEU QD 1 45 VAL H . . 7.400 4.495 4.253 4.675 . 0 0 "[ . 1 .]" 1
449 1 40 THR HB 1 45 VAL H . . 6.400 4.122 3.609 4.555 . 0 0 "[ . 1 .]" 1
450 1 40 THR MG 1 45 VAL H . . 6.400 5.028 4.602 5.246 . 0 0 "[ . 1 .]" 1
451 1 45 VAL HA 1 46 GLY H . . 2.600 2.336 2.186 2.443 . 0 0 "[ . 1 .]" 1
452 1 45 VAL H 1 46 GLY H . . 4.800 4.558 4.491 4.593 . 0 0 "[ . 1 .]" 1
453 1 45 VAL HB 1 46 GLY H . . 3.000 2.631 2.426 2.904 . 0 0 "[ . 1 .]" 1
454 1 45 VAL MG1 1 46 GLY H . . 5.400 3.763 3.626 3.861 . 0 0 "[ . 1 .]" 1
455 1 45 VAL MG2 1 46 GLY H . . 6.400 3.562 3.333 3.812 . 0 0 "[ . 1 .]" 1
456 1 46 GLY H 1 46 GLY HA3 . . 3.000 2.560 2.457 2.610 . 0 0 "[ . 1 .]" 1
457 1 46 GLY H 1 46 GLY HA2 . . 3.000 2.957 2.932 2.976 . 0 0 "[ . 1 .]" 1
458 1 11 SER HA 1 46 GLY H . . 4.000 3.713 3.600 3.770 . 0 0 "[ . 1 .]" 1
459 1 10 VAL HA 1 46 GLY H . . 5.200 4.809 4.657 4.901 . 0 0 "[ . 1 .]" 1
460 1 9 PHE HA 1 46 GLY H . . 5.200 4.538 4.440 4.679 . 0 0 "[ . 1 .]" 1
461 1 37 ILE HA 1 46 GLY H . . 5.200 4.767 4.428 4.862 . 0 0 "[ . 1 .]" 1
462 1 11 SER HB2 1 46 GLY H . . 5.800 5.851 5.819 5.895 0.095 2 0 "[ . 1 .]" 1
463 1 11 SER HB3 1 46 GLY H . . 5.200 4.776 4.558 5.013 . 0 0 "[ . 1 .]" 1
464 1 9 PHE HB2 1 46 GLY H . . 5.800 4.750 4.576 4.924 . 0 0 "[ . 1 .]" 1
465 1 9 PHE HB3 1 46 GLY H . . 6.200 6.206 6.072 6.273 0.073 12 0 "[ . 1 .]" 1
466 1 13 LEU QD 1 46 GLY H . . 6.400 2.821 2.533 3.359 . 0 0 "[ . 1 .]" 1
467 1 46 GLY HA2 1 47 PHE H . . 2.600 2.028 1.991 2.163 . 0 0 "[ . 1 .]" 1
468 1 46 GLY HA3 1 47 PHE H . . 3.200 3.127 2.703 3.203 0.003 5 0 "[ . 1 .]" 1
469 1 46 GLY H 1 47 PHE H . . 4.800 4.221 4.113 4.409 . 0 0 "[ . 1 .]" 1
470 1 47 PHE H 1 47 PHE HA . . 3.000 2.902 2.886 2.934 . 0 0 "[ . 1 .]" 1
471 1 37 ILE HA 1 47 PHE H . . 3.600 3.413 3.005 3.607 0.007 15 0 "[ . 1 .]" 1
472 1 36 LEU HA 1 47 PHE H . . 5.000 4.694 4.517 4.785 . 0 0 "[ . 1 .]" 1
473 1 35 SER HA 1 47 PHE H . . 5.000 4.699 4.325 4.794 . 0 0 "[ . 1 .]" 1
474 1 35 SER HB2 1 47 PHE H . . 5.800 4.617 4.342 4.788 . 0 0 "[ . 1 .]" 1
475 1 35 SER HB3 1 47 PHE H . . 5.800 5.776 5.450 5.837 0.037 15 0 "[ . 1 .]" 1
476 1 36 LEU MD1 1 47 PHE H . . 6.400 4.954 3.793 5.688 . 0 0 "[ . 1 .]" 1
477 1 36 LEU MD2 1 47 PHE H . . 6.400 5.016 3.539 5.720 . 0 0 "[ . 1 .]" 1
478 1 37 ILE MG 1 47 PHE H . . 6.400 5.220 3.887 5.547 . 0 0 "[ . 1 .]" 1
479 1 47 PHE HA 1 48 VAL H . . 2.400 2.070 2.035 2.105 . 0 0 "[ . 1 .]" 1
480 1 47 PHE H 1 48 VAL H . . 4.800 4.139 4.046 4.184 . 0 0 "[ . 1 .]" 1
481 1 47 PHE QB 1 48 VAL H . . 4.600 3.505 3.429 3.546 . 0 0 "[ . 1 .]" 1
482 1 48 VAL H 1 48 VAL HA . . 3.000 2.906 2.887 2.919 . 0 0 "[ . 1 .]" 1
483 1 48 VAL H 1 48 VAL HB . . 3.600 2.477 2.374 2.563 . 0 0 "[ . 1 .]" 1
484 1 32 TYR QE 1 48 VAL H . . 7.400 6.243 6.009 6.906 . 0 0 "[ . 1 .]" 1
485 1 9 PHE HA 1 48 VAL H . . 4.000 3.239 3.093 3.417 . 0 0 "[ . 1 .]" 1
486 1 8 LEU HA 1 48 VAL H . . 5.000 4.906 4.808 4.985 . 0 0 "[ . 1 .]" 1
487 1 35 SER HB2 1 48 VAL H . . 5.800 5.427 5.116 5.739 . 0 0 "[ . 1 .]" 1
488 1 35 SER HB3 1 48 VAL H . . 5.800 5.311 5.094 5.565 . 0 0 "[ . 1 .]" 1
489 1 7 THR MG 1 48 VAL H . . 6.000 3.187 3.004 3.551 . 0 0 "[ . 1 .]" 1
490 1 8 LEU MD2 1 48 VAL H . . 6.800 5.303 3.238 5.887 . 0 0 "[ . 1 .]" 1
491 1 48 VAL HA 1 49 ILE H . . 2.400 2.044 1.998 2.093 . 0 0 "[ . 1 .]" 1
492 1 48 VAL H 1 49 ILE H . . 4.800 4.359 4.297 4.402 . 0 0 "[ . 1 .]" 1
493 1 48 VAL HB 1 49 ILE H . . 4.400 4.145 4.077 4.247 . 0 0 "[ . 1 .]" 1
494 1 48 VAL MG1 1 49 ILE H . . 5.800 2.656 2.534 2.855 . 0 0 "[ . 1 .]" 1
495 1 48 VAL MG2 1 49 ILE H . . 6.800 3.913 3.807 4.020 . 0 0 "[ . 1 .]" 1
496 1 49 ILE H 1 49 ILE HA . . 3.000 2.893 2.881 2.910 . 0 0 "[ . 1 .]" 1
497 1 35 SER HA 1 49 ILE H . . 3.400 3.005 2.692 3.288 . 0 0 "[ . 1 .]" 1
498 1 34 GLY HA2 1 49 ILE H . . 5.400 4.851 4.753 5.005 . 0 0 "[ . 1 .]" 1
499 1 34 GLY HA3 1 49 ILE H . . 5.400 4.475 4.334 4.617 . 0 0 "[ . 1 .]" 1
500 1 35 SER HB2 1 49 ILE H . . 5.800 5.267 4.792 5.598 . 0 0 "[ . 1 .]" 1
501 1 35 SER HB3 1 49 ILE H . . 5.800 4.286 3.761 4.624 . 0 0 "[ . 1 .]" 1
502 1 33 GLU QG 1 49 ILE H . . 5.800 5.686 5.338 5.829 0.029 4 0 "[ . 1 .]" 1
503 1 49 ILE HA 1 50 PHE H . . 2.400 2.044 1.986 2.100 . 0 0 "[ . 1 .]" 1
504 1 49 ILE H 1 50 PHE H . . 4.800 4.278 4.115 4.361 . 0 0 "[ . 1 .]" 1
505 1 49 ILE HB 1 50 PHE H . . 4.400 3.968 2.917 4.313 . 0 0 "[ . 1 .]" 1
506 1 49 ILE MG 1 50 PHE H . . 5.800 3.546 2.607 4.185 . 0 0 "[ . 1 .]" 1
507 1 49 ILE MD 1 50 PHE H . . 6.800 4.633 4.203 5.386 . 0 0 "[ . 1 .]" 1
508 1 50 PHE H 1 50 PHE HA . . 3.000 2.909 2.889 2.923 . 0 0 "[ . 1 .]" 1
509 1 50 PHE H 1 52 SER H . . 5.400 4.915 4.629 5.034 . 0 0 "[ . 1 .]" 1
510 1 7 THR HA 1 50 PHE H . . 4.800 3.183 3.093 3.292 . 0 0 "[ . 1 .]" 1
511 1 50 PHE H 1 56 ALA HA . . 6.400 5.594 5.272 6.060 . 0 0 "[ . 1 .]" 1
512 1 50 PHE H 1 56 ALA MB . . 6.800 3.928 3.612 4.323 . 0 0 "[ . 1 .]" 1
513 1 50 PHE HA 1 51 ASP H . . 2.600 2.212 2.128 2.289 . 0 0 "[ . 1 .]" 1
514 1 50 PHE H 1 51 ASP H . . 4.800 4.367 4.274 4.454 . 0 0 "[ . 1 .]" 1
515 1 50 PHE QB 1 51 ASP H . . 5.800 2.523 2.235 2.783 . 0 0 "[ . 1 .]" 1
516 1 51 ASP H 1 51 ASP HA . . 3.000 2.786 2.712 2.889 . 0 0 "[ . 1 .]" 1
517 1 51 ASP H 1 51 ASP HB2 . . 4.000 2.565 2.433 2.654 . 0 0 "[ . 1 .]" 1
518 1 51 ASP H 1 51 ASP HB3 . . 4.000 2.471 2.376 2.607 . 0 0 "[ . 1 .]" 1
519 1 49 ILE HA 1 51 ASP H . . 6.400 6.078 6.015 6.147 . 0 0 "[ . 1 .]" 1
520 1 31 GLY QA 1 51 ASP H . . 2.800 2.947 2.661 3.192 0.392 3 0 "[ . 1 .]" 1
521 1 33 GLU HG2 1 51 ASP H . . 4.400 3.028 2.339 4.052 . 0 0 "[ . 1 .]" 1
522 1 33 GLU HG3 1 51 ASP H . . 4.400 3.249 2.426 4.005 . 0 0 "[ . 1 .]" 1
523 1 51 ASP HA 1 52 SER H . . 3.600 3.506 3.413 3.563 . 0 0 "[ . 1 .]" 1
524 1 51 ASP H 1 52 SER H . . 2.800 2.769 2.408 2.882 0.082 14 0 "[ . 1 .]" 1
525 1 51 ASP HB2 1 52 SER H . . 4.000 4.006 3.894 4.091 0.091 13 0 "[ . 1 .]" 1
526 1 51 ASP HB3 1 52 SER H . . 4.000 2.771 2.517 3.060 . 0 0 "[ . 1 .]" 1
527 1 52 SER H 1 52 SER HA . . 2.800 2.863 2.818 2.889 0.089 11 0 "[ . 1 .]" 1
528 1 52 SER H 1 52 SER HB3 . . 4.000 3.693 3.363 4.001 0.001 4 0 "[ . 1 .]" 1
529 1 52 SER H 1 52 SER HB2 . . 4.000 3.286 2.645 3.919 . 0 0 "[ . 1 .]" 1
530 1 52 SER H 1 54 ALA H . . 5.000 5.011 4.705 5.128 0.128 15 0 "[ . 1 .]" 1
531 1 52 SER H 1 55 GLY H . . 3.800 3.933 3.713 4.299 0.499 13 0 "[ . 1 .]" 1
532 1 52 SER H 1 56 ALA H . . 3.800 4.089 3.794 4.342 0.542 6 1 "[ .+ 1 .]" 1
533 1 52 SER H 1 55 GLY HA3 . . 4.400 3.789 3.396 4.343 . 0 0 "[ . 1 .]" 1
534 1 50 PHE HB2 1 52 SER H . . 3.400 3.454 3.410 3.507 0.107 8 0 "[ . 1 .]" 1
535 1 50 PHE HB3 1 52 SER H . . 3.400 2.463 2.095 2.728 . 0 0 "[ . 1 .]" 1
536 1 50 PHE HA 1 52 SER H . . 4.400 4.162 3.821 4.424 0.024 14 0 "[ . 1 .]" 1
537 1 52 SER H 1 56 ALA HA . . 6.000 5.775 5.370 6.068 0.068 6 0 "[ . 1 .]" 1
538 1 52 SER H 1 56 ALA MB . . 6.200 4.360 3.971 4.678 . 0 0 "[ . 1 .]" 1
539 1 6 ARG QG 1 52 SER H . . 6.400 5.107 3.938 6.166 . 0 0 "[ . 1 .]" 1
540 1 52 SER HA 1 53 ARG H . . 2.400 2.312 2.144 2.448 0.048 8 0 "[ . 1 .]" 1
541 1 52 SER H 1 53 ARG H . . 4.800 4.297 4.178 4.363 . 0 0 "[ . 1 .]" 1
542 1 52 SER HB3 1 53 ARG H . . 3.600 3.116 2.348 3.681 0.081 10 0 "[ . 1 .]" 1
543 1 52 SER HB2 1 53 ARG H . . 3.600 3.130 2.427 3.704 0.104 6 0 "[ . 1 .]" 1
544 1 53 ARG H 1 53 ARG HA . . 2.900 2.857 2.780 2.916 0.016 11 0 "[ . 1 .]" 1
545 1 53 ARG H 1 55 GLY H . . 4.800 3.858 3.449 4.206 . 0 0 "[ . 1 .]" 1
546 1 53 ARG H 1 56 ALA H . . 4.800 4.635 4.451 4.809 0.009 4 0 "[ . 1 .]" 1
547 1 4 GLU QG 1 53 ARG H . . 6.400 4.426 3.111 6.094 . 0 0 "[ . 1 .]" 1
548 1 53 ARG HA 1 54 ALA H . . 3.600 3.459 3.389 3.529 . 0 0 "[ . 1 .]" 1
549 1 53 ARG H 1 54 ALA H . . 2.800 2.509 2.196 2.841 0.041 3 0 "[ . 1 .]" 1
550 1 53 ARG HB3 1 54 ALA H . . 4.400 3.826 2.272 4.135 . 0 0 "[ . 1 .]" 1
551 1 53 ARG HB2 1 54 ALA H . . 4.400 3.946 2.633 4.329 . 0 0 "[ . 1 .]" 1
552 1 53 ARG QG 1 54 ALA H . . 6.000 2.810 2.271 3.782 . 0 0 "[ . 1 .]" 1
553 1 54 ALA H 1 54 ALA HA . . 2.800 2.823 2.803 2.844 0.044 11 0 "[ . 1 .]" 1
554 1 54 ALA H 1 56 ALA H . . 5.000 3.957 3.762 4.109 . 0 0 "[ . 1 .]" 1
555 1 54 ALA H 1 57 GLU H . . 5.000 4.766 4.642 4.880 . 0 0 "[ . 1 .]" 1
556 1 52 SER HA 1 54 ALA H . . 4.400 4.088 3.651 4.408 0.008 8 0 "[ . 1 .]" 1
557 1 54 ALA H 1 57 GLU QG . . 6.000 4.274 4.025 4.476 . 0 0 "[ . 1 .]" 1
558 1 54 ALA H 1 57 GLU QB . . 6.000 5.787 5.394 6.012 0.012 15 0 "[ . 1 .]" 1
559 1 54 ALA HA 1 55 GLY H . . 3.600 3.325 3.210 3.410 . 0 0 "[ . 1 .]" 1
560 1 54 ALA H 1 55 GLY H . . 2.800 2.359 2.148 2.478 . 0 0 "[ . 1 .]" 1
561 1 54 ALA MB 1 55 GLY H . . 5.800 2.754 2.527 2.970 . 0 0 "[ . 1 .]" 1
562 1 53 ARG HA 1 55 GLY H . . 4.400 3.763 3.513 4.052 . 0 0 "[ . 1 .]" 1
563 1 53 ARG HD2 1 55 GLY H . . 5.800 5.979 5.783 6.074 0.274 10 0 "[ . 1 .]" 1
564 1 53 ARG HD3 1 55 GLY H . . 5.400 4.612 4.231 5.461 0.061 13 0 "[ . 1 .]" 1
565 1 55 GLY H 1 57 GLU H . . 5.000 3.933 3.703 4.140 . 0 0 "[ . 1 .]" 1
566 1 55 GLY H 1 58 ALA H . . 5.000 4.777 4.530 4.946 . 0 0 "[ . 1 .]" 1
567 1 55 GLY H 1 59 ALA H . . 6.000 5.975 5.751 6.053 0.053 4 0 "[ . 1 .]" 1
568 1 55 GLY QA 1 56 ALA H . . 4.600 2.649 2.605 2.725 . 0 0 "[ . 1 .]" 1
569 1 55 GLY H 1 56 ALA H . . 2.800 2.293 2.180 2.406 . 0 0 "[ . 1 .]" 1
570 1 56 ALA H 1 56 ALA HA . . 2.800 2.790 2.743 2.813 0.013 2 0 "[ . 1 .]" 1
571 1 53 ARG HA 1 56 ALA H . . 3.600 3.061 2.755 3.315 . 0 0 "[ . 1 .]" 1
572 1 54 ALA HA 1 56 ALA H . . 4.800 4.441 4.265 4.632 . 0 0 "[ . 1 .]" 1
573 1 50 PHE HB2 1 56 ALA H . . 5.000 3.664 3.304 4.080 . 0 0 "[ . 1 .]" 1
574 1 50 PHE HB3 1 56 ALA H . . 5.000 3.634 3.261 3.910 . 0 0 "[ . 1 .]" 1
575 1 54 ALA MB 1 56 ALA H . . 6.400 4.576 4.386 4.718 . 0 0 "[ . 1 .]" 1
576 1 8 LEU MD1 1 56 ALA H . . 6.400 4.751 4.047 5.117 . 0 0 "[ . 1 .]" 1
577 1 56 ALA H 1 58 ALA H . . 4.200 4.137 3.927 4.233 0.033 2 0 "[ . 1 .]" 1
578 1 56 ALA HA 1 57 GLU H . . 3.600 3.571 3.550 3.592 . 0 0 "[ . 1 .]" 1
579 1 56 ALA H 1 57 GLU H . . 2.800 2.743 2.672 2.805 0.005 9 0 "[ . 1 .]" 1
580 1 56 ALA MB 1 57 GLU H . . 5.800 2.476 2.357 2.581 . 0 0 "[ . 1 .]" 1
581 1 57 GLU H 1 57 GLU HA . . 2.800 2.797 2.770 2.810 0.010 13 0 "[ . 1 .]" 1
582 1 54 ALA HA 1 57 GLU H . . 4.400 3.700 3.443 4.107 . 0 0 "[ . 1 .]" 1
583 1 53 ARG HA 1 57 GLU H . . 4.200 3.818 3.490 4.042 . 0 0 "[ . 1 .]" 1
584 1 55 GLY HA2 1 57 GLU H . . 4.600 4.580 4.394 4.630 0.030 8 0 "[ . 1 .]" 1
585 1 57 GLU H 1 59 ALA H . . 4.200 4.147 3.996 4.211 0.011 8 0 "[ . 1 .]" 1
586 1 57 GLU HA 1 58 ALA H . . 3.600 3.477 3.429 3.519 . 0 0 "[ . 1 .]" 1
587 1 57 GLU H 1 58 ALA H . . 2.800 2.681 2.624 2.782 . 0 0 "[ . 1 .]" 1
588 1 57 GLU QB 1 58 ALA H . . 5.800 3.551 3.431 3.687 . 0 0 "[ . 1 .]" 1
589 1 58 ALA H 1 58 ALA HA . . 2.800 2.829 2.819 2.849 0.049 1 0 "[ . 1 .]" 1
590 1 55 GLY HA2 1 58 ALA H . . 3.800 3.690 3.449 3.834 0.034 9 0 "[ . 1 .]" 1
591 1 54 ALA HA 1 58 ALA H . . 5.400 4.369 3.852 4.743 . 0 0 "[ . 1 .]" 1
592 1 56 ALA HA 1 58 ALA H . . 4.400 4.338 4.114 4.414 0.014 14 0 "[ . 1 .]" 1
593 1 58 ALA H 1 60 LYS H . . 4.200 4.051 3.908 4.133 . 0 0 "[ . 1 .]" 1
594 1 58 ALA HA 1 59 ALA H . . 3.600 3.495 3.457 3.532 . 0 0 "[ . 1 .]" 1
595 1 58 ALA H 1 59 ALA H . . 2.800 2.493 2.356 2.573 . 0 0 "[ . 1 .]" 1
596 1 58 ALA MB 1 59 ALA H . . 5.800 2.587 2.487 2.722 . 0 0 "[ . 1 .]" 1
597 1 59 ALA H 1 59 ALA HA . . 2.800 2.815 2.800 2.829 0.029 4 0 "[ . 1 .]" 1
598 1 56 ALA HA 1 59 ALA H . . 3.500 3.492 3.402 3.548 0.048 15 0 "[ . 1 .]" 1
599 1 55 GLY HA2 1 59 ALA H . . 4.600 4.244 3.807 4.450 . 0 0 "[ . 1 .]" 1
600 1 57 GLU HA 1 59 ALA H . . 4.400 4.330 3.942 4.424 0.024 2 0 "[ . 1 .]" 1
601 1 59 ALA H 1 61 ASN H . . 4.200 4.019 3.893 4.206 0.006 14 0 "[ . 1 .]" 1
602 1 59 ALA HA 1 60 LYS H . . 3.600 3.517 3.492 3.540 . 0 0 "[ . 1 .]" 1
603 1 59 ALA H 1 60 LYS H . . 2.800 2.625 2.566 2.699 . 0 0 "[ . 1 .]" 1
604 1 59 ALA MB 1 60 LYS H . . 5.800 2.530 2.454 2.617 . 0 0 "[ . 1 .]" 1
605 1 60 LYS H 1 60 LYS HA . . 2.800 2.820 2.786 2.832 0.032 8 0 "[ . 1 .]" 1
606 1 57 GLU HA 1 60 LYS H . . 4.000 3.457 3.115 3.795 . 0 0 "[ . 1 .]" 1
607 1 56 ALA HA 1 60 LYS H . . 4.200 4.026 3.937 4.173 . 0 0 "[ . 1 .]" 1
608 1 58 ALA HA 1 60 LYS H . . 4.400 4.431 4.389 4.453 0.053 6 0 "[ . 1 .]" 1
609 1 60 LYS H 1 62 ALA H . . 4.200 4.108 3.927 4.223 0.023 4 0 "[ . 1 .]" 1
610 1 60 LYS HA 1 61 ASN H . . 3.600 3.481 3.424 3.534 . 0 0 "[ . 1 .]" 1
611 1 60 LYS H 1 61 ASN H . . 2.800 2.579 2.491 2.802 0.002 14 0 "[ . 1 .]" 1
612 1 60 LYS QB 1 61 ASN H . . 5.400 3.455 2.510 3.668 . 0 0 "[ . 1 .]" 1
613 1 60 LYS QG 1 61 ASN H . . 5.800 2.566 2.283 3.324 . 0 0 "[ . 1 .]" 1
614 1 61 ASN H 1 61 ASN HA . . 2.800 2.815 2.787 2.851 0.051 3 0 "[ . 1 .]" 1
615 1 58 ALA HA 1 61 ASN H . . 3.500 3.484 3.360 3.530 0.030 3 0 "[ . 1 .]" 1
616 1 57 GLU HA 1 61 ASN H . . 4.800 4.085 3.845 4.257 . 0 0 "[ . 1 .]" 1
617 1 59 ALA HA 1 61 ASN H . . 4.400 4.298 4.070 4.443 0.043 14 0 "[ . 1 .]" 1
618 1 61 ASN H 1 63 LEU H . . 4.200 4.141 4.002 4.260 0.060 11 0 "[ . 1 .]" 1
619 1 61 ASN HA 1 62 ALA H . . 3.600 3.473 3.361 3.548 . 0 0 "[ . 1 .]" 1
620 1 61 ASN H 1 62 ALA H . . 2.800 2.618 2.443 2.740 . 0 0 "[ . 1 .]" 1
621 1 61 ASN QB 1 62 ALA H . . 5.400 2.830 2.561 3.175 . 0 0 "[ . 1 .]" 1
622 1 62 ALA H 1 62 ALA HA . . 2.800 2.850 2.834 2.864 0.064 10 0 "[ . 1 .]" 1
623 1 59 ALA HA 1 62 ALA H . . 3.500 3.539 3.485 3.592 0.092 4 0 "[ . 1 .]" 1
624 1 58 ALA HA 1 62 ALA H . . 4.800 4.456 4.153 4.798 . 0 0 "[ . 1 .]" 1
625 1 60 LYS HA 1 62 ALA H . . 4.400 4.057 3.817 4.261 . 0 0 "[ . 1 .]" 1
626 1 62 ALA H 1 64 ASN H . . 4.600 4.044 3.783 4.201 . 0 0 "[ . 1 .]" 1
627 1 62 ALA HA 1 63 LEU H . . 3.600 3.531 3.509 3.552 . 0 0 "[ . 1 .]" 1
628 1 62 ALA H 1 63 LEU H . . 2.800 2.424 2.346 2.554 . 0 0 "[ . 1 .]" 1
629 1 62 ALA MB 1 63 LEU H . . 5.800 2.612 2.479 2.789 . 0 0 "[ . 1 .]" 1
630 1 63 LEU H 1 63 LEU HA . . 2.800 2.865 2.848 2.885 0.085 7 0 "[ . 1 .]" 1
631 1 63 LEU H 1 63 LEU HB3 . . 3.600 3.622 3.601 3.643 0.043 7 0 "[ . 1 .]" 1
632 1 63 LEU H 1 63 LEU HB2 . . 3.600 2.441 2.416 2.474 . 0 0 "[ . 1 .]" 1
633 1 60 LYS HA 1 63 LEU H . . 3.500 3.268 2.880 3.430 . 0 0 "[ . 1 .]" 1
634 1 59 ALA HA 1 63 LEU H . . 4.800 4.158 3.892 4.341 . 0 0 "[ . 1 .]" 1
635 1 61 ASN HA 1 63 LEU H . . 4.600 4.554 4.363 4.656 0.056 4 0 "[ . 1 .]" 1
636 1 63 LEU HA 1 64 ASN H . . 3.600 3.449 3.340 3.569 . 0 0 "[ . 1 .]" 1
637 1 63 LEU H 1 64 ASN H . . 2.800 2.587 2.469 2.712 . 0 0 "[ . 1 .]" 1
638 1 63 LEU HB3 1 64 ASN H . . 4.600 4.179 4.016 4.329 . 0 0 "[ . 1 .]" 1
639 1 63 LEU HB2 1 64 ASN H . . 4.600 3.485 3.260 3.759 . 0 0 "[ . 1 .]" 1
640 1 64 ASN H 1 64 ASN HA . . 2.800 2.837 2.826 2.855 0.055 15 0 "[ . 1 .]" 1
641 1 61 ASN HA 1 64 ASN H . . 4.400 3.946 3.495 4.238 . 0 0 "[ . 1 .]" 1
642 1 60 LYS HA 1 64 ASN H . . 5.000 3.597 2.965 4.062 . 0 0 "[ . 1 .]" 1
643 1 64 ASN H 1 78 LEU H . . 5.000 4.214 4.045 4.559 . 0 0 "[ . 1 .]" 1
644 1 64 ASN H 1 77 ARG HA . . 5.200 5.135 4.874 5.263 0.063 14 0 "[ . 1 .]" 1
645 1 64 ASN HA 1 65 GLY H . . 2.600 2.103 2.035 2.164 . 0 0 "[ . 1 .]" 1
646 1 64 ASN H 1 65 GLY H . . 4.600 4.429 4.386 4.470 . 0 0 "[ . 1 .]" 1
647 1 64 ASN QB 1 65 GLY H . . 5.400 3.383 3.272 3.523 . 0 0 "[ . 1 .]" 1
648 1 65 GLY H 1 65 GLY HA2 . . 2.800 2.328 2.293 2.368 . 0 0 "[ . 1 .]" 1
649 1 65 GLY H 1 65 GLY HA3 . . 3.000 2.931 2.916 2.951 . 0 0 "[ . 1 .]" 1
650 1 65 GLY H 1 76 LEU H . . 3.600 4.050 3.821 4.240 0.640 1 7 "[+ ***-*1 * .]" 1
651 1 65 GLY H 1 78 LEU H . . 4.000 4.040 3.867 4.159 0.159 12 0 "[ . 1 .]" 1
652 1 65 GLY H 1 77 ARG H . . 5.000 4.699 4.542 4.823 . 0 0 "[ . 1 .]" 1
653 1 65 GLY H 1 67 ARG H . . 4.400 5.959 5.916 6.019 1.619 12 15 [*****-*****+***] 1
654 1 65 GLY H 1 77 ARG HA . . 4.600 2.813 2.561 3.125 . 0 0 "[ . 1 .]" 1
655 1 65 GLY H 1 75 THR HA . . 6.400 5.880 5.667 6.086 . 0 0 "[ . 1 .]" 1
656 1 65 GLY H 1 75 THR HB . . 5.200 4.262 3.949 4.705 . 0 0 "[ . 1 .]" 1
657 1 65 GLY HA2 1 66 ILE H . . 3.000 3.064 3.016 3.099 0.099 14 0 "[ . 1 .]" 1
658 1 65 GLY HA3 1 66 ILE H . . 3.600 3.371 3.274 3.446 . 0 0 "[ . 1 .]" 1
659 1 65 GLY H 1 66 ILE H . . 2.600 1.981 1.857 2.151 . 0 0 "[ . 1 .]" 1
660 1 66 ILE H 1 66 ILE HA . . 2.800 2.850 2.829 2.863 0.063 11 0 "[ . 1 .]" 1
661 1 66 ILE H 1 66 ILE HB . . 3.600 2.818 2.683 2.964 . 0 0 "[ . 1 .]" 1
662 1 66 ILE H 1 66 ILE HG12 . . 4.400 4.421 4.395 4.446 0.046 14 0 "[ . 1 .]" 1
663 1 66 ILE H 1 66 ILE HG13 . . 4.400 4.471 4.444 4.500 0.100 11 0 "[ . 1 .]" 1
664 1 66 ILE H 1 76 LEU H . . 4.000 3.588 3.461 3.740 . 0 0 "[ . 1 .]" 1
665 1 66 ILE H 1 77 ARG H . . 6.000 5.785 5.517 6.025 0.025 11 0 "[ . 1 .]" 1
666 1 66 ILE H 1 77 ARG HA . . 5.800 4.561 4.229 5.082 . 0 0 "[ . 1 .]" 1
667 1 66 ILE H 1 75 THR HA . . 5.400 5.405 5.226 5.478 0.078 2 0 "[ . 1 .]" 1
668 1 66 ILE H 1 75 THR HB . . 5.000 4.292 4.080 4.616 . 0 0 "[ . 1 .]" 1
669 1 64 ASN HB2 1 66 ILE H . . 5.800 5.275 5.128 5.347 . 0 0 "[ . 1 .]" 1
670 1 64 ASN HB3 1 66 ILE H . . 5.800 5.743 5.541 5.848 0.048 9 0 "[ . 1 .]" 1
671 1 66 ILE HA 1 67 ARG H . . 2.600 2.103 2.014 2.203 . 0 0 "[ . 1 .]" 1
672 1 66 ILE H 1 67 ARG H . . 4.800 4.301 4.209 4.373 . 0 0 "[ . 1 .]" 1
673 1 66 ILE HB 1 67 ARG H . . 4.400 4.175 4.056 4.302 . 0 0 "[ . 1 .]" 1
674 1 66 ILE MG 1 67 ARG H . . 5.800 3.827 3.654 4.079 . 0 0 "[ . 1 .]" 1
675 1 67 ARG H 1 67 ARG HA . . 2.900 2.824 2.781 2.902 0.002 2 0 "[ . 1 .]" 1
676 1 67 ARG H 1 67 ARG HD2 . . 4.800 4.355 3.870 4.850 0.050 7 0 "[ . 1 .]" 1
677 1 67 ARG H 1 67 ARG HD3 . . 4.800 4.616 4.030 4.932 0.132 8 0 "[ . 1 .]" 1
678 1 67 ARG H 1 76 LEU H . . 4.200 4.530 4.318 4.700 0.500 1 1 "[+ . 1 .]" 1
679 1 67 ARG H 1 69 ASP H . . 5.400 5.456 5.406 5.511 0.111 13 0 "[ . 1 .]" 1
680 1 67 ARG H 1 75 THR HA . . 5.400 4.607 4.340 4.851 . 0 0 "[ . 1 .]" 1
681 1 67 ARG H 1 75 THR HB . . 4.800 4.714 4.275 4.864 0.064 13 0 "[ . 1 .]" 1
682 1 67 ARG H 1 75 THR MG . . 6.400 4.003 3.615 4.361 . 0 0 "[ . 1 .]" 1
683 1 67 ARG HA 1 68 PHE H . . 3.400 2.054 1.947 2.223 . 0 0 "[ . 1 .]" 1
684 1 67 ARG H 1 68 PHE H . . 4.400 4.403 4.307 4.496 0.096 4 0 "[ . 1 .]" 1
685 1 67 ARG QB 1 68 PHE H . . 5.800 3.201 2.734 3.894 . 0 0 "[ . 1 .]" 1
686 1 67 ARG QG 1 68 PHE H . . 5.800 3.686 2.738 4.644 . 0 0 "[ . 1 .]" 1
687 1 68 PHE H 1 68 PHE HA . . 2.900 2.851 2.811 2.897 . 0 0 "[ . 1 .]" 1
688 1 68 PHE H 1 68 PHE HB2 . . 4.400 2.298 2.066 2.505 . 0 0 "[ . 1 .]" 1
689 1 68 PHE H 1 68 PHE HB3 . . 4.400 2.709 2.426 2.995 . 0 0 "[ . 1 .]" 1
690 1 68 PHE H 1 76 LEU H . . 5.000 3.438 2.982 3.940 . 0 0 "[ . 1 .]" 1
691 1 68 PHE H 1 75 THR HA . . 3.200 2.887 2.375 3.182 . 0 0 "[ . 1 .]" 1
692 1 68 PHE H 1 75 THR HB . . 3.800 4.960 4.499 5.138 1.338 6 15 [*****+-********] 1
693 1 68 PHE H 1 75 THR MG . . 6.800 4.293 3.592 4.746 . 0 0 "[ . 1 .]" 1
694 1 68 PHE HA 1 69 ASP H . . 3.600 3.429 3.360 3.477 . 0 0 "[ . 1 .]" 1
695 1 68 PHE H 1 69 ASP H . . 2.800 2.436 2.212 2.688 . 0 0 "[ . 1 .]" 1
696 1 68 PHE HB2 1 69 ASP H . . 4.000 3.686 3.344 3.927 . 0 0 "[ . 1 .]" 1
697 1 68 PHE HB3 1 69 ASP H . . 4.000 2.764 2.605 2.897 . 0 0 "[ . 1 .]" 1
698 1 69 ASP H 1 69 ASP HA . . 3.000 2.902 2.823 2.955 . 0 0 "[ . 1 .]" 1
699 1 69 ASP H 1 69 ASP HB2 . . 4.400 3.166 2.685 4.009 . 0 0 "[ . 1 .]" 1
700 1 69 ASP H 1 69 ASP HB3 . . 4.400 3.357 2.708 3.939 . 0 0 "[ . 1 .]" 1
701 1 69 ASP H 1 76 LEU H . . 6.200 5.826 5.189 6.224 0.024 14 0 "[ . 1 .]" 1
702 1 69 ASP H 1 72 ASN H . . 5.000 4.198 3.620 4.595 . 0 0 "[ . 1 .]" 1
703 1 69 ASP H 1 71 GLU H . . 5.400 4.867 4.411 5.149 . 0 0 "[ . 1 .]" 1
704 1 67 ARG QB 1 69 ASP H . . 5.400 2.937 2.387 3.906 . 0 0 "[ . 1 .]" 1
705 1 69 ASP H 1 75 THR HA . . 5.800 4.771 4.128 5.118 . 0 0 "[ . 1 .]" 1
706 1 69 ASP H 1 75 THR MG . . 6.800 5.357 4.652 5.898 . 0 0 "[ . 1 .]" 1
707 1 67 ARG HA 1 69 ASP H . . 3.800 3.674 3.336 3.835 0.035 5 0 "[ . 1 .]" 1
708 1 69 ASP H 1 72 ASN HB2 . . 5.400 4.674 3.836 5.432 0.032 7 0 "[ . 1 .]" 1
709 1 69 ASP H 1 72 ASN HB3 . . 5.400 3.392 2.448 4.337 . 0 0 "[ . 1 .]" 1
710 1 67 ARG QG 1 69 ASP H . . 5.800 3.873 2.241 4.863 . 0 0 "[ . 1 .]" 1
711 1 69 ASP H 1 70 PRO HD2 . . 5.000 4.791 4.486 5.004 0.004 13 0 "[ . 1 .]" 1
712 1 69 ASP H 1 70 PRO HD3 . . 5.000 4.366 3.928 4.786 . 0 0 "[ . 1 .]" 1
713 1 69 ASP HA 1 70 PRO HD2 . . 3.000 2.355 2.054 2.661 . 0 0 "[ . 1 .]" 1
714 1 69 ASP HA 1 70 PRO HD3 . . 3.000 2.539 2.059 2.854 . 0 0 "[ . 1 .]" 1
715 1 70 PRO HA 1 71 GLU H . . 3.600 3.427 3.316 3.486 . 0 0 "[ . 1 .]" 1
716 1 70 PRO HD2 1 71 GLU H . . 3.600 2.994 2.824 3.184 . 0 0 "[ . 1 .]" 1
717 1 70 PRO HD3 1 71 GLU H . . 4.000 3.980 3.883 4.060 0.060 9 0 "[ . 1 .]" 1
718 1 71 GLU H 1 71 GLU HA . . 2.800 2.863 2.824 2.885 0.085 9 0 "[ . 1 .]" 1
719 1 71 GLU H 1 71 GLU QG . . 4.600 3.302 1.982 4.064 . 0 0 "[ . 1 .]" 1
720 1 69 ASP HA 1 71 GLU H . . 4.800 3.774 3.457 4.053 . 0 0 "[ . 1 .]" 1
721 1 69 ASP HB2 1 71 GLU H . . 4.800 3.782 2.605 4.834 0.034 10 0 "[ . 1 .]" 1
722 1 69 ASP HB3 1 71 GLU H . . 4.800 3.304 2.211 4.473 . 0 0 "[ . 1 .]" 1
723 1 71 GLU HA 1 72 ASN H . . 3.600 3.367 3.226 3.442 . 0 0 "[ . 1 .]" 1
724 1 71 GLU H 1 72 ASN H . . 2.200 2.321 2.153 2.489 0.289 6 0 "[ . 1 .]" 1
725 1 72 ASN H 1 72 ASN HA . . 3.000 2.932 2.890 2.968 . 0 0 "[ . 1 .]" 1
726 1 72 ASN H 1 72 ASN HB3 . . 3.600 2.548 2.398 2.741 . 0 0 "[ . 1 .]" 1
727 1 72 ASN H 1 72 ASN HB2 . . 3.600 2.720 2.463 3.118 . 0 0 "[ . 1 .]" 1
728 1 70 PRO HA 1 72 ASN H . . 4.000 3.855 3.352 4.062 0.062 15 0 "[ . 1 .]" 1
729 1 70 PRO HD2 1 72 ASN H . . 5.400 4.795 4.573 5.107 . 0 0 "[ . 1 .]" 1
730 1 69 ASP HB2 1 72 ASN H . . 4.800 3.400 2.150 4.483 . 0 0 "[ . 1 .]" 1
731 1 69 ASP HB3 1 72 ASN H . . 4.800 3.257 2.597 4.865 0.065 3 0 "[ . 1 .]" 1
732 1 72 ASN H 1 73 PRO HD2 . . 5.400 4.916 4.762 5.378 . 0 0 "[ . 1 .]" 1
733 1 72 ASN H 1 73 PRO HD3 . . 5.400 4.809 4.418 5.074 . 0 0 "[ . 1 .]" 1
734 1 72 ASN HA 1 73 PRO HD2 . . 3.000 2.242 2.030 2.779 . 0 0 "[ . 1 .]" 1
735 1 72 ASN HA 1 73 PRO HD3 . . 3.000 2.418 1.983 2.626 . 0 0 "[ . 1 .]" 1
736 1 73 PRO HA 1 74 GLN H . . 3.600 3.355 3.107 3.431 . 0 0 "[ . 1 .]" 1
737 1 73 PRO HD2 1 74 GLN H . . 3.200 2.977 2.635 3.227 0.027 1 0 "[ . 1 .]" 1
738 1 73 PRO HD3 1 74 GLN H . . 4.600 4.009 3.774 4.166 . 0 0 "[ . 1 .]" 1
739 1 74 GLN H 1 74 GLN HA . . 3.000 2.852 2.767 2.916 . 0 0 "[ . 1 .]" 1
740 1 74 GLN H 1 74 GLN HB3 . . 2.800 2.503 2.362 2.685 . 0 0 "[ . 1 .]" 1
741 1 74 GLN H 1 74 GLN HB2 . . 2.800 2.517 2.333 2.707 . 0 0 "[ . 1 .]" 1
742 1 72 ASN HD21 1 74 GLN H . . 5.200 4.582 4.044 4.958 . 0 0 "[ . 1 .]" 1
743 1 72 ASN HD22 1 74 GLN H . . 5.200 4.161 3.496 4.619 . 0 0 "[ . 1 .]" 1
744 1 72 ASN HA 1 74 GLN H . . 4.000 3.725 3.624 3.961 . 0 0 "[ . 1 .]" 1
745 1 67 ARG HA 1 74 GLN H . . 6.400 6.186 5.774 6.431 0.031 8 0 "[ . 1 .]" 1
746 1 74 GLN HA 1 75 THR H . . 2.400 2.165 2.108 2.404 0.004 2 0 "[ . 1 .]" 1
747 1 74 GLN H 1 75 THR H . . 4.800 4.449 4.377 4.557 . 0 0 "[ . 1 .]" 1
748 1 74 GLN HB3 1 75 THR H . . 4.400 4.176 3.425 4.340 . 0 0 "[ . 1 .]" 1
749 1 74 GLN HB2 1 75 THR H . . 4.800 4.318 3.892 4.402 . 0 0 "[ . 1 .]" 1
750 1 74 GLN HE21 1 75 THR H . . 5.400 5.371 4.508 5.487 0.087 14 0 "[ . 1 .]" 1
751 1 74 GLN HE22 1 75 THR H . . 5.400 5.270 5.099 5.552 0.152 2 0 "[ . 1 .]" 1
752 1 75 THR H 1 75 THR HA . . 3.000 2.914 2.881 2.950 . 0 0 "[ . 1 .]" 1
753 1 67 ARG HA 1 75 THR H . . 5.400 5.032 4.884 5.249 . 0 0 "[ . 1 .]" 1
754 1 75 THR HA 1 76 LEU H . . 2.600 2.359 2.213 2.484 . 0 0 "[ . 1 .]" 1
755 1 75 THR H 1 76 LEU H . . 4.800 4.464 4.363 4.524 . 0 0 "[ . 1 .]" 1
756 1 75 THR HB 1 76 LEU H . . 3.200 2.717 2.416 2.940 . 0 0 "[ . 1 .]" 1
757 1 75 THR MG 1 76 LEU H . . 6.000 3.802 3.584 4.066 . 0 0 "[ . 1 .]" 1
758 1 76 LEU H 1 76 LEU HA . . 3.000 2.894 2.858 2.912 . 0 0 "[ . 1 .]" 1
759 1 65 GLY HA2 1 76 LEU H . . 5.800 4.546 4.279 4.678 . 0 0 "[ . 1 .]" 1
760 1 65 GLY HA3 1 76 LEU H . . 6.000 5.929 5.743 6.079 0.079 9 0 "[ . 1 .]" 1
761 1 67 ARG HA 1 76 LEU H . . 5.800 2.964 2.190 3.674 . 0 0 "[ . 1 .]" 1
762 1 68 PHE HB2 1 76 LEU H . . 6.200 4.112 3.227 4.691 . 0 0 "[ . 1 .]" 1
763 1 68 PHE HB3 1 76 LEU H . . 6.200 5.477 4.470 6.204 0.004 12 0 "[ . 1 .]" 1
764 1 76 LEU HA 1 77 ARG H . . 2.400 2.156 1.999 2.252 . 0 0 "[ . 1 .]" 1
765 1 76 LEU H 1 77 ARG H . . 4.800 4.427 4.346 4.556 . 0 0 "[ . 1 .]" 1
766 1 76 LEU MD1 1 77 ARG H . . 5.600 3.510 2.641 4.551 . 0 0 "[ . 1 .]" 1
767 1 76 LEU MD2 1 77 ARG H . . 5.600 4.619 4.341 4.991 . 0 0 "[ . 1 .]" 1
768 1 77 ARG H 1 77 ARG HA . . 3.000 2.913 2.849 2.950 . 0 0 "[ . 1 .]" 1
769 1 77 ARG H 1 77 ARG QD . . 5.800 3.962 2.315 4.941 . 0 0 "[ . 1 .]" 1
770 1 12 GLY QA 1 77 ARG H . . 3.200 3.255 3.219 3.307 0.107 2 0 "[ . 1 .]" 1
771 1 11 SER HA 1 77 ARG H . . 5.400 4.722 4.559 4.913 . 0 0 "[ . 1 .]" 1
772 1 11 SER HB2 1 77 ARG H . . 5.400 4.776 4.523 4.966 . 0 0 "[ . 1 .]" 1
773 1 11 SER HB3 1 77 ARG H . . 5.400 5.274 4.890 5.486 0.086 5 0 "[ . 1 .]" 1
774 1 77 ARG HA 1 78 LEU H . . 2.400 2.070 1.995 2.115 . 0 0 "[ . 1 .]" 1
775 1 77 ARG H 1 78 LEU H . . 4.800 4.083 3.852 4.284 . 0 0 "[ . 1 .]" 1
776 1 77 ARG QB 1 78 LEU H . . 5.400 3.504 2.922 3.892 . 0 0 "[ . 1 .]" 1
777 1 78 LEU H 1 78 LEU HA . . 3.000 2.924 2.878 2.947 . 0 0 "[ . 1 .]" 1
778 1 78 LEU H 1 78 LEU MD2 . . 5.800 4.243 4.058 4.398 . 0 0 "[ . 1 .]" 1
779 1 64 ASN HD21 1 78 LEU H . . 6.000 4.677 3.963 5.138 . 0 0 "[ . 1 .]" 1
780 1 64 ASN HD22 1 78 LEU H . . 6.000 5.818 5.443 6.048 0.048 3 0 "[ . 1 .]" 1
781 1 64 ASN HA 1 78 LEU H . . 4.000 2.439 2.331 2.536 . 0 0 "[ . 1 .]" 1
782 1 64 ASN HB2 1 78 LEU H . . 5.400 2.581 2.022 2.995 . 0 0 "[ . 1 .]" 1
783 1 64 ASN HB3 1 78 LEU H . . 5.400 2.270 1.794 2.745 . 0 0 "[ . 1 .]" 1
784 1 78 LEU HA 1 79 GLU H . . 2.400 2.112 2.059 2.177 . 0 0 "[ . 1 .]" 1
785 1 78 LEU H 1 79 GLU H . . 4.800 4.321 4.232 4.437 . 0 0 "[ . 1 .]" 1
786 1 78 LEU QB 1 79 GLU H . . 5.400 3.203 2.953 3.342 . 0 0 "[ . 1 .]" 1
787 1 78 LEU MD1 1 79 GLU H . . 6.400 4.761 4.699 4.861 . 0 0 "[ . 1 .]" 1
788 1 78 LEU MD2 1 79 GLU H . . 6.400 4.863 4.633 5.021 . 0 0 "[ . 1 .]" 1
789 1 79 GLU H 1 79 GLU HA . . 3.000 2.924 2.885 2.949 . 0 0 "[ . 1 .]" 1
790 1 10 VAL HA 1 79 GLU H . . 4.000 3.712 3.356 4.028 0.028 13 0 "[ . 1 .]" 1
791 1 9 PHE HA 1 79 GLU H . . 5.000 4.836 4.708 4.956 . 0 0 "[ . 1 .]" 1
792 1 8 LEU HA 1 79 GLU H . . 5.000 4.533 4.158 5.004 0.004 10 0 "[ . 1 .]" 1
793 1 9 PHE HB2 1 79 GLU H . . 5.400 5.354 5.223 5.422 0.022 1 0 "[ . 1 .]" 1
794 1 9 PHE HB3 1 79 GLU H . . 5.400 5.201 4.946 5.380 . 0 0 "[ . 1 .]" 1
795 1 8 LEU QD 1 79 GLU H . . 6.400 3.950 3.591 5.040 . 0 0 "[ . 1 .]" 1
796 1 79 GLU HA 1 80 PHE H . . 2.800 2.499 2.416 2.642 . 0 0 "[ . 1 .]" 1
797 1 79 GLU H 1 80 PHE H . . 4.800 4.400 4.348 4.457 . 0 0 "[ . 1 .]" 1
798 1 79 GLU QB 1 80 PHE H . . 5.000 3.046 2.191 3.486 . 0 0 "[ . 1 .]" 1
799 1 79 GLU QG 1 80 PHE H . . 5.800 2.808 2.002 4.305 . 0 0 "[ . 1 .]" 1
800 1 80 PHE H 1 80 PHE HA . . 3.000 2.865 2.840 2.913 . 0 0 "[ . 1 .]" 1
801 1 80 PHE H 1 80 PHE HB3 . . 3.600 3.592 3.562 3.620 0.020 13 0 "[ . 1 .]" 1
802 1 80 PHE H 1 80 PHE HB2 . . 3.600 2.336 2.259 2.403 . 0 0 "[ . 1 .]" 1
803 1 8 LEU HA 1 80 PHE H . . 6.000 4.791 4.633 5.014 . 0 0 "[ . 1 .]" 1
804 1 8 LEU QD 1 80 PHE H . . 6.400 4.220 3.294 6.051 . 0 0 "[ . 1 .]" 1
805 1 80 PHE HA 1 81 ALA H . . 2.400 2.189 2.135 2.268 . 0 0 "[ . 1 .]" 1
806 1 80 PHE H 1 81 ALA H . . 4.800 4.581 4.523 4.621 . 0 0 "[ . 1 .]" 1
807 1 80 PHE HB3 1 81 ALA H . . 4.800 2.991 2.841 3.161 . 0 0 "[ . 1 .]" 1
808 1 80 PHE HB2 1 81 ALA H . . 4.800 4.131 3.991 4.269 . 0 0 "[ . 1 .]" 1
809 1 81 ALA H 1 81 ALA HA . . 3.000 2.851 2.817 2.874 . 0 0 "[ . 1 .]" 1
810 1 81 ALA H 1 83 ALA H . . 4.600 4.652 4.622 4.699 0.099 12 0 "[ . 1 .]" 1
811 1 8 LEU HA 1 81 ALA H . . 3.400 2.588 1.859 2.995 . 0 0 "[ . 1 .]" 1
812 1 9 PHE HA 1 81 ALA H . . 5.800 5.440 5.163 5.695 . 0 0 "[ . 1 .]" 1
813 1 7 THR HA 1 81 ALA H . . 6.200 5.114 4.974 5.341 . 0 0 "[ . 1 .]" 1
814 1 7 THR HB 1 81 ALA H . . 6.000 3.864 3.535 4.255 . 0 0 "[ . 1 .]" 1
815 1 5 VAL MG1 1 81 ALA H . . 6.000 3.040 2.405 3.680 . 0 0 "[ . 1 .]" 1
816 1 5 VAL MG2 1 81 ALA H . . 6.800 5.156 4.130 6.082 . 0 0 "[ . 1 .]" 1
817 1 81 ALA HA 1 82 LYS H . . 2.400 2.249 2.080 2.334 . 0 0 "[ . 1 .]" 1
818 1 81 ALA H 1 82 LYS H . . 4.800 4.500 4.451 4.550 . 0 0 "[ . 1 .]" 1
819 1 81 ALA MB 1 82 LYS H . . 5.800 2.537 2.341 2.812 . 0 0 "[ . 1 .]" 1
820 1 82 LYS H 1 82 LYS HA . . 3.000 2.885 2.799 2.922 . 0 0 "[ . 1 .]" 1
821 1 82 LYS H 1 82 LYS HB3 . . 4.400 2.647 2.479 3.616 . 0 0 "[ . 1 .]" 1
822 1 82 LYS H 1 82 LYS HB2 . . 4.400 2.624 2.388 3.599 . 0 0 "[ . 1 .]" 1
823 1 9 PHE QE 1 82 LYS H . . 6.800 4.830 4.140 5.228 . 0 0 "[ . 1 .]" 1
824 1 9 PHE QD 1 82 LYS H . . 6.800 3.964 3.695 4.281 . 0 0 "[ . 1 .]" 1
825 1 9 PHE HB2 1 82 LYS H . . 6.000 5.970 4.893 6.132 0.132 12 0 "[ . 1 .]" 1
826 1 9 PHE HB3 1 82 LYS H . . 5.400 4.598 3.637 4.800 . 0 0 "[ . 1 .]" 1
827 1 5 VAL MG2 1 82 LYS H . . 7.200 6.686 5.454 7.223 0.023 14 0 "[ . 1 .]" 1
828 1 82 LYS HA 1 83 ALA H . . 3.200 3.185 3.007 3.305 0.105 13 0 "[ . 1 .]" 1
829 1 82 LYS H 1 83 ALA H . . 2.800 2.461 2.306 2.620 . 0 0 "[ . 1 .]" 1
830 1 83 ALA H 1 83 ALA HA . . 3.000 2.867 2.824 2.910 . 0 0 "[ . 1 .]" 1
831 1 81 ALA HA 1 83 ALA H . . 4.400 3.766 3.598 3.838 . 0 0 "[ . 1 .]" 1
832 1 9 PHE HB3 1 83 ALA H . . 6.200 5.840 5.303 6.214 0.014 12 0 "[ . 1 .]" 1
833 1 7 THR HB 1 83 ALA H . . 6.800 4.586 4.253 5.018 . 0 0 "[ . 1 .]" 1
834 1 5 VAL MG1 1 83 ALA H . . 6.000 4.496 3.596 5.049 . 0 0 "[ . 1 .]" 1
835 1 5 VAL MG2 1 83 ALA H . . 6.000 5.714 4.716 6.089 0.089 11 0 "[ . 1 .]" 1
836 1 83 ALA HA 1 84 ASN H . . 2.400 2.130 2.057 2.191 . 0 0 "[ . 1 .]" 1
837 1 83 ALA H 1 84 ASN H . . 4.800 4.014 3.893 4.207 . 0 0 "[ . 1 .]" 1
838 1 83 ALA MB 1 84 ASN H . . 6.000 3.078 2.906 3.330 . 0 0 "[ . 1 .]" 1
839 1 84 ASN H 1 84 ASN HA . . 3.000 2.868 2.815 2.901 . 0 0 "[ . 1 .]" 1
840 1 82 LYS HA 1 84 ASN H . . 6.000 5.960 5.661 6.077 0.077 1 0 "[ . 1 .]" 1
841 1 5 VAL MG1 1 84 ASN H . . 6.800 4.316 3.330 4.837 . 0 0 "[ . 1 .]" 1
842 1 5 VAL MG2 1 84 ASN H . . 6.000 4.914 3.854 5.498 . 0 0 "[ . 1 .]" 1
843 1 5 VAL HA 1 84 ASN H . . 5.800 5.232 3.990 5.735 . 0 0 "[ . 1 .]" 1
844 1 7 THR HB 1 84 ASN H . . 6.200 4.748 4.480 5.080 . 0 0 "[ . 1 .]" 1
845 1 84 ASN HA 1 85 THR H . . 2.400 2.154 2.039 2.247 . 0 0 "[ . 1 .]" 1
846 1 84 ASN H 1 85 THR H . . 4.800 4.485 4.312 4.590 . 0 0 "[ . 1 .]" 1
847 1 84 ASN HB2 1 85 THR H . . 4.400 4.080 2.723 4.409 0.009 3 0 "[ . 1 .]" 1
848 1 84 ASN HB3 1 85 THR H . . 4.400 3.295 2.519 4.129 . 0 0 "[ . 1 .]" 1
849 1 85 THR H 1 85 THR HA . . 3.000 2.905 2.865 2.925 . 0 0 "[ . 1 .]" 1
850 1 85 THR H 1 85 THR HB . . 3.200 2.788 2.517 3.223 0.023 13 0 "[ . 1 .]" 1
851 1 7 THR HA 1 85 THR H . . 5.800 4.476 4.322 5.048 . 0 0 "[ . 1 .]" 1
852 1 7 THR HB 1 85 THR H . . 4.800 2.895 2.412 3.219 . 0 0 "[ . 1 .]" 1
853 1 5 VAL MG1 1 85 THR H . . 6.800 5.267 4.281 6.072 . 0 0 "[ . 1 .]" 1
854 1 85 THR HA 1 86 LYS H . . 2.400 2.195 1.928 2.361 . 0 0 "[ . 1 .]" 1
855 1 85 THR H 1 86 LYS H . . 4.600 4.331 3.939 4.485 . 0 0 "[ . 1 .]" 1
856 1 85 THR HB 1 86 LYS H . . 4.600 4.101 3.824 4.430 . 0 0 "[ . 1 .]" 1
857 1 85 THR MG 1 86 LYS H . . 6.400 3.336 2.503 4.119 . 0 0 "[ . 1 .]" 1
858 1 86 LYS H 1 86 LYS HA . . 3.000 2.879 2.700 2.942 . 0 0 "[ . 1 .]" 1
859 1 84 ASN HB2 1 86 LYS H . . 6.200 5.992 5.241 6.278 0.078 8 0 "[ . 1 .]" 1
860 1 84 ASN HB3 1 86 LYS H . . 6.200 5.460 4.534 6.346 0.146 12 0 "[ . 1 .]" 1
861 1 86 LYS HA 1 87 MET H . . 2.400 2.222 2.067 2.418 0.018 5 0 "[ . 1 .]" 1
862 1 86 LYS H 1 87 MET H . . 4.800 4.363 3.821 4.590 . 0 0 "[ . 1 .]" 1
863 1 87 MET H 1 87 MET HA . . 3.000 2.867 2.741 2.922 . 0 0 "[ . 1 .]" 1
864 1 87 MET H 1 87 MET HB3 . . 4.400 3.135 2.333 3.670 . 0 0 "[ . 1 .]" 1
865 1 87 MET H 1 87 MET HB2 . . 4.400 2.463 2.294 2.580 . 0 0 "[ . 1 .]" 1
866 1 88 ALA H 1 88 ALA HA . . 3.000 2.882 2.790 2.926 . 0 0 "[ . 1 .]" 1
867 1 88 ALA HA 1 89 LYS H . . 2.400 2.148 2.097 2.212 . 0 0 "[ . 1 .]" 1
868 1 88 ALA H 1 89 LYS H . . 4.800 4.086 3.520 4.368 . 0 0 "[ . 1 .]" 1
869 1 88 ALA MB 1 89 LYS H . . 5.600 3.420 3.228 3.578 . 0 0 "[ . 1 .]" 1
870 1 89 LYS H 1 89 LYS HA . . 3.000 2.879 2.801 2.937 . 0 0 "[ . 1 .]" 1
871 1 89 LYS HA 1 90 SER H . . 2.400 2.141 2.030 2.253 . 0 0 "[ . 1 .]" 1
872 1 89 LYS H 1 90 SER H . . 4.800 4.122 3.579 4.469 . 0 0 "[ . 1 .]" 1
873 1 89 LYS HB2 1 90 SER H . . 4.600 4.281 3.363 4.534 . 0 0 "[ . 1 .]" 1
874 1 89 LYS HB3 1 90 SER H . . 4.600 4.248 3.577 4.491 . 0 0 "[ . 1 .]" 1
875 1 90 SER H 1 90 SER HA . . 3.000 2.816 2.242 2.932 . 0 0 "[ . 1 .]" 1
876 1 9 PHE HA 1 47 PHE HA . . 2.600 2.481 2.368 2.653 0.053 9 0 "[ . 1 .]" 1
877 1 35 SER HA 1 47 PHE HA . . 5.400 5.390 5.303 5.419 0.019 9 0 "[ . 1 .]" 1
878 1 46 GLY HA2 1 47 PHE HA . . 5.400 4.290 4.260 4.333 . 0 0 "[ . 1 .]" 1
879 1 47 PHE HA 1 48 VAL HA . . 5.200 4.319 4.297 4.350 . 0 0 "[ . 1 .]" 1
880 1 47 PHE HA 1 81 ALA MB . . 6.800 4.138 3.821 4.536 . 0 0 "[ . 1 .]" 1
881 1 47 PHE HA 1 48 VAL HB . . 5.200 4.503 4.433 4.618 . 0 0 "[ . 1 .]" 1
882 1 47 PHE HA 1 48 VAL MG2 . . 6.800 3.695 3.574 3.809 . 0 0 "[ . 1 .]" 1
883 1 7 THR MG 1 47 PHE HA . . 6.400 3.127 2.982 3.367 . 0 0 "[ . 1 .]" 1
884 1 47 PHE HA 1 85 THR MG . . 6.800 5.142 4.339 6.199 . 0 0 "[ . 1 .]" 1
885 1 10 VAL MG2 1 47 PHE HA . . 6.800 3.956 3.714 4.225 . 0 0 "[ . 1 .]" 1
886 1 35 SER HA 1 48 VAL HA . . 2.200 2.096 2.047 2.156 . 0 0 "[ . 1 .]" 1
887 1 34 GLY HA2 1 35 SER HA . . 5.400 4.483 4.419 4.532 . 0 0 "[ . 1 .]" 1
888 1 34 GLY HA3 1 35 SER HA . . 5.400 4.360 4.294 4.429 . 0 0 "[ . 1 .]" 1
889 1 35 SER HA 1 47 PHE HB2 . . 5.800 4.923 4.727 5.122 . 0 0 "[ . 1 .]" 1
890 1 35 SER HA 1 47 PHE HB3 . . 5.800 5.538 5.330 5.738 . 0 0 "[ . 1 .]" 1
891 1 35 SER HA 1 48 VAL HB . . 4.800 4.916 4.860 4.977 0.177 8 0 "[ . 1 .]" 1
892 1 35 SER HA 1 37 ILE MD . . 6.800 4.854 4.141 5.937 . 0 0 "[ . 1 .]" 1
893 1 22 LEU MD1 1 35 SER HA . . 6.400 4.807 4.304 5.318 . 0 0 "[ . 1 .]" 1
894 1 22 LEU MD2 1 35 SER HA . . 6.400 6.371 6.130 6.442 0.042 14 0 "[ . 1 .]" 1
895 1 35 SER HA 1 48 VAL MG1 . . 6.000 3.438 3.284 3.678 . 0 0 "[ . 1 .]" 1
896 1 35 SER HA 1 48 VAL MG2 . . 6.000 2.992 2.713 3.259 . 0 0 "[ . 1 .]" 1
897 1 7 THR HA 1 49 ILE HA . . 2.400 2.286 2.076 2.410 0.010 5 0 "[ . 1 .]" 1
898 1 7 THR HA 1 8 LEU HA . . 5.200 4.394 4.345 4.421 . 0 0 "[ . 1 .]" 1
899 1 7 THR HA 1 50 PHE HB2 . . 6.200 4.666 4.596 4.755 . 0 0 "[ . 1 .]" 1
900 1 7 THR HA 1 50 PHE HB3 . . 6.200 6.276 6.214 6.320 0.120 8 0 "[ . 1 .]" 1
901 1 5 VAL MG1 1 7 THR HA . . 6.800 4.457 3.950 5.220 . 0 0 "[ . 1 .]" 1
902 1 7 THR HA 1 8 LEU MD1 . . 6.800 4.842 2.750 5.610 . 0 0 "[ . 1 .]" 1
903 1 7 THR HA 1 8 LEU MD2 . . 6.800 4.584 3.147 5.479 . 0 0 "[ . 1 .]" 1
904 1 10 VAL HA 1 78 LEU HA . . 2.600 2.413 2.239 2.601 0.001 13 0 "[ . 1 .]" 1
905 1 77 ARG HA 1 78 LEU HA . . 5.200 4.327 4.270 4.364 . 0 0 "[ . 1 .]" 1
906 1 60 LYS HA 1 78 LEU HA . . 5.400 5.171 4.796 5.441 0.041 8 0 "[ . 1 .]" 1
907 1 10 VAL MG1 1 78 LEU HA . . 6.400 3.663 3.266 4.059 . 0 0 "[ . 1 .]" 1
908 1 10 VAL MG2 1 78 LEU HA . . 6.400 3.377 2.915 3.816 . 0 0 "[ . 1 .]" 1
909 1 37 ILE HA 1 46 GLY HA2 . . 2.600 2.233 1.940 2.353 . 0 0 "[ . 1 .]" 1
910 1 37 ILE HA 1 46 GLY HA3 . . 3.400 3.471 3.424 3.502 0.102 6 0 "[ . 1 .]" 1
911 1 46 GLY HA2 1 47 PHE HB2 . . 5.800 4.449 4.358 4.512 . 0 0 "[ . 1 .]" 1
912 1 46 GLY HA2 1 47 PHE HB3 . . 5.800 5.581 5.551 5.629 . 0 0 "[ . 1 .]" 1
913 1 37 ILE MD 1 46 GLY HA2 . . 6.400 3.123 2.309 4.853 . 0 0 "[ . 1 .]" 1
914 1 37 ILE MG 1 46 GLY HA2 . . 6.400 3.796 2.364 4.163 . 0 0 "[ . 1 .]" 1
915 1 71 GLU HA 1 72 ASN HA . . 5.400 4.656 4.498 4.751 . 0 0 "[ . 1 .]" 1
916 1 72 ASN HA 1 73 PRO HA . . 5.200 4.524 4.446 4.588 . 0 0 "[ . 1 .]" 1
917 1 32 TYR HA 1 50 PHE HA . . 2.800 2.790 2.575 2.892 0.092 1 0 "[ . 1 .]" 1
918 1 32 TYR HB2 1 50 PHE HA . . 5.800 5.070 4.863 5.171 . 0 0 "[ . 1 .]" 1
919 1 32 TYR HB3 1 50 PHE HA . . 5.800 5.677 5.546 5.799 . 0 0 "[ . 1 .]" 1
920 1 49 ILE HA 1 50 PHE HA . . 5.400 4.322 4.267 4.384 . 0 0 "[ . 1 .]" 1
921 1 50 PHE HA 1 51 ASP HB2 . . 5.400 4.571 4.323 4.733 . 0 0 "[ . 1 .]" 1
922 1 50 PHE HA 1 51 ASP HA . . 5.200 4.304 4.252 4.338 . 0 0 "[ . 1 .]" 1
923 1 50 PHE HA 1 56 ALA MB . . 6.400 4.944 4.768 5.369 . 0 0 "[ . 1 .]" 1
924 1 48 VAL MG1 1 50 PHE HA . . 6.800 4.097 3.802 4.392 . 0 0 "[ . 1 .]" 1
925 1 17 ILE HA 1 18 LYS HA . . 5.200 4.328 4.257 4.391 . 0 0 "[ . 1 .]" 1
926 1 17 ILE MD 1 18 LYS HA . . 6.800 3.909 3.030 5.540 . 0 0 "[ . 1 .]" 1
927 1 17 ILE MG 1 18 LYS HA . . 6.800 4.681 4.103 5.490 . 0 0 "[ . 1 .]" 1
928 1 8 LEU HA 1 9 PHE HA . . 5.200 4.266 4.198 4.308 . 0 0 "[ . 1 .]" 1
929 1 9 PHE HA 1 10 VAL HA . . 5.200 4.258 4.206 4.320 . 0 0 "[ . 1 .]" 1
930 1 9 PHE HA 1 81 ALA HA . . 5.400 5.218 4.511 5.394 . 0 0 "[ . 1 .]" 1
931 1 9 PHE HA 1 81 ALA MB . . 6.800 3.754 3.366 4.101 . 0 0 "[ . 1 .]" 1
932 1 64 ASN HA 1 77 ARG HA . . 2.200 2.446 2.179 2.668 0.468 14 0 "[ . 1 .]" 1
933 1 64 ASN HB2 1 77 ARG HA . . 5.400 2.855 2.581 3.214 . 0 0 "[ . 1 .]" 1
934 1 64 ASN HB3 1 77 ARG HA . . 5.400 3.586 3.163 4.080 . 0 0 "[ . 1 .]" 1
935 1 8 LEU HA 1 80 PHE HA . . 2.400 2.335 2.177 2.415 0.015 15 0 "[ . 1 .]" 1
936 1 8 LEU HA 1 48 VAL MG1 . . 6.800 6.198 5.773 6.406 . 0 0 "[ . 1 .]" 1
937 1 7 THR HB 1 84 ASN HA . . 3.200 2.246 1.924 2.668 . 0 0 "[ . 1 .]" 1
938 1 7 THR MG 1 84 ASN HA . . 5.800 3.336 2.950 3.936 . 0 0 "[ . 1 .]" 1
939 1 11 SER HA 1 45 VAL HA . . 3.200 3.077 2.698 3.239 0.039 13 0 "[ . 1 .]" 1
940 1 11 SER HA 1 45 VAL MG1 . . 6.400 2.680 2.362 3.256 . 0 0 "[ . 1 .]" 1
941 1 11 SER HA 1 13 LEU QD . . 6.400 3.615 3.236 3.976 . 0 0 "[ . 1 .]" 1
942 1 13 LEU QD 1 45 VAL HA . . 5.400 2.629 2.295 3.355 . 0 0 "[ . 1 .]" 1
943 1 69 ASP HA 1 72 ASN HB3 . . 6.200 4.840 4.289 5.951 . 0 0 "[ . 1 .]" 1
944 1 39 LEU HA 1 44 PRO HA . . 2.600 2.103 1.927 2.334 . 0 0 "[ . 1 .]" 1
945 1 40 THR MG 1 44 PRO HA . . 6.200 5.332 5.066 5.558 . 0 0 "[ . 1 .]" 1
946 1 15 VAL HA 1 43 GLN HA . . 4.000 3.022 2.556 3.679 . 0 0 "[ . 1 .]" 1
947 1 15 VAL MG2 1 43 GLN HA . . 6.400 3.349 2.251 4.368 . 0 0 "[ . 1 .]" 1
948 1 67 ARG HA 1 75 THR HA . . 2.200 2.213 2.064 2.591 0.391 15 0 "[ . 1 .]" 1
949 1 74 GLN HA 1 75 THR HA . . 5.200 4.363 4.307 4.428 . 0 0 "[ . 1 .]" 1
950 1 67 ARG HD2 1 75 THR HA . . 5.200 5.017 3.420 5.373 0.173 14 0 "[ . 1 .]" 1
951 1 67 ARG HD3 1 75 THR HA . . 5.200 4.738 3.475 5.399 0.199 2 0 "[ . 1 .]" 1
952 1 67 ARG QG 1 75 THR HA . . 5.800 3.202 2.334 4.833 . 0 0 "[ . 1 .]" 1
953 1 12 GLY QA 1 76 LEU HA . . 2.200 2.252 2.187 2.323 0.123 10 0 "[ . 1 .]" 1
954 1 35 SER HB2 1 48 VAL HA . . 4.800 3.755 3.372 4.084 . 0 0 "[ . 1 .]" 1
955 1 35 SER HB3 1 48 VAL HA . . 4.800 3.099 2.797 3.412 . 0 0 "[ . 1 .]" 1
956 1 14 PRO HA 1 15 VAL HA . . 5.000 4.277 4.151 4.343 . 0 0 "[ . 1 .]" 1
957 1 60 LYS HE2 1 79 GLU HA . . 4.800 2.181 1.805 2.678 . 0 0 "[ . 1 .]" 1
958 1 60 LYS HE3 1 79 GLU HA . . 4.800 2.740 2.145 4.063 . 0 0 "[ . 1 .]" 1
959 1 67 ARG HA 1 75 THR HB . . 3.600 3.576 3.372 3.680 0.080 3 0 "[ . 1 .]" 1
960 1 67 ARG HA 1 75 THR MG . . 6.200 2.887 2.122 3.364 . 0 0 "[ . 1 .]" 1
961 1 58 ALA HA 1 61 ASN HA . . 5.800 5.452 5.213 5.679 . 0 0 "[ . 1 .]" 1
962 1 9 PHE HB2 1 81 ALA HA . . 5.000 4.578 3.854 4.763 . 0 0 "[ . 1 .]" 1
963 1 9 PHE HB3 1 81 ALA HA . . 5.000 3.002 2.196 3.126 . 0 0 "[ . 1 .]" 1
964 1 65 GLY HA2 1 75 THR HB . . 4.800 3.293 2.999 3.767 . 0 0 "[ . 1 .]" 1
965 1 65 GLY HA2 1 75 THR MG . . 6.800 4.182 3.684 4.716 . 0 0 "[ . 1 .]" 1
966 1 5 VAL MG2 1 83 ALA HA . . 5.800 5.373 4.325 5.835 0.035 7 0 "[ . 1 .]" 1
967 1 58 ALA HA 1 61 ASN HB2 . . 4.800 3.063 2.720 3.575 . 0 0 "[ . 1 .]" 1
968 1 58 ALA HA 1 61 ASN HB3 . . 4.800 3.684 2.586 4.685 . 0 0 "[ . 1 .]" 1
969 1 67 ARG HD2 1 73 PRO HA . . 5.200 4.787 4.355 5.186 . 0 0 "[ . 1 .]" 1
970 1 67 ARG HD3 1 73 PRO HA . . 5.800 4.318 3.383 5.806 0.006 13 0 "[ . 1 .]" 1
971 1 67 ARG HD2 1 70 PRO HA . . 4.000 2.993 1.982 4.008 0.008 2 0 "[ . 1 .]" 1
972 1 67 ARG HD3 1 70 PRO HA . . 3.400 2.984 2.202 3.561 0.161 4 0 "[ . 1 .]" 1
973 1 11 SER HB2 1 45 VAL MG1 . . 6.000 2.973 2.648 3.386 . 0 0 "[ . 1 .]" 1
974 1 11 SER HB3 1 45 VAL MG1 . . 6.000 2.586 2.315 2.957 . 0 0 "[ . 1 .]" 1
975 1 35 SER HB2 1 48 VAL MG1 . . 6.000 4.198 3.890 4.536 . 0 0 "[ . 1 .]" 1
976 1 35 SER HB3 1 48 VAL MG1 . . 6.000 2.837 2.475 3.240 . 0 0 "[ . 1 .]" 1
977 1 53 ARG HA 1 56 ALA MB . . 6.000 2.338 2.073 2.840 . 0 0 "[ . 1 .]" 1
978 1 8 LEU MD1 1 57 GLU HA . . 6.800 4.328 3.637 5.463 . 0 0 "[ . 1 .]" 1
979 1 8 LEU MD2 1 57 GLU HA . . 6.800 4.016 3.138 5.861 . 0 0 "[ . 1 .]" 1
980 1 8 LEU MD1 1 60 LYS HA . . 6.800 3.611 2.584 5.899 . 0 0 "[ . 1 .]" 1
981 1 8 LEU MD2 1 60 LYS HA . . 6.800 4.371 3.020 5.670 . 0 0 "[ . 1 .]" 1
982 1 8 LEU MD1 1 56 ALA HA . . 6.800 2.571 2.015 3.049 . 0 0 "[ . 1 .]" 1
983 1 8 LEU MD2 1 56 ALA HA . . 6.800 3.358 2.403 3.999 . 0 0 "[ . 1 .]" 1
984 1 50 PHE HB2 1 56 ALA MB . . 6.400 2.292 2.108 2.699 . 0 0 "[ . 1 .]" 1
985 1 50 PHE HB3 1 56 ALA MB . . 6.400 3.329 2.993 3.831 . 0 0 "[ . 1 .]" 1
986 1 32 TYR HB2 1 48 VAL MG1 . . 6.800 3.861 3.605 4.105 . 0 0 "[ . 1 .]" 1
987 1 32 TYR HB3 1 48 VAL MG1 . . 6.800 4.990 4.845 5.155 . 0 0 "[ . 1 .]" 1
988 1 26 PHE HB2 1 48 VAL MG1 . . 6.800 4.549 4.004 5.100 . 0 0 "[ . 1 .]" 1
989 1 26 PHE HB3 1 48 VAL MG1 . . 6.800 4.207 3.636 4.908 . 0 0 "[ . 1 .]" 1
990 1 34 GLY O 1 49 ILE H . . 1.800 1.878 1.790 2.037 0.237 6 0 "[ . 1 .]" 1
991 1 34 GLY O 1 49 ILE N . . 2.700 2.825 2.748 2.930 0.230 6 0 "[ . 1 .]" 1
992 1 36 LEU H 1 47 PHE O . . 1.800 1.832 1.786 1.946 0.146 10 0 "[ . 1 .]" 1
993 1 36 LEU N 1 47 PHE O . . 2.700 2.792 2.744 2.866 0.166 10 0 "[ . 1 .]" 1
994 1 36 LEU O 1 47 PHE H . . 1.800 1.775 1.762 1.797 . 0 0 "[ . 1 .]" 1
995 1 36 LEU O 1 47 PHE N . . 2.700 2.722 2.693 2.757 0.057 5 0 "[ . 1 .]" 1
996 1 6 ARG O 1 50 PHE H . . 1.800 1.785 1.753 1.843 0.043 4 0 "[ . 1 .]" 1
997 1 6 ARG O 1 50 PHE N . . 2.700 2.756 2.724 2.818 0.118 4 0 "[ . 1 .]" 1
998 1 8 LEU H 1 48 VAL O . . 1.800 1.857 1.777 1.928 0.128 4 0 "[ . 1 .]" 1
999 1 8 LEU N 1 48 VAL O . . 2.700 2.825 2.757 2.883 0.183 10 0 "[ . 1 .]" 1
1000 1 8 LEU O 1 48 VAL H . . 1.800 1.917 1.845 1.984 0.184 12 0 "[ . 1 .]" 1
1001 1 8 LEU O 1 48 VAL N . . 2.700 2.844 2.774 2.897 0.197 10 0 "[ . 1 .]" 1
1002 1 10 VAL H 1 46 GLY O . . 1.800 1.959 1.917 1.990 0.190 8 0 "[ . 1 .]" 1
1003 1 10 VAL N 1 46 GLY O . . 2.700 2.932 2.898 2.959 0.259 8 0 "[ . 1 .]" 1
1004 1 10 VAL O 1 46 GLY H . . 1.800 1.957 1.834 2.045 0.245 2 0 "[ . 1 .]" 1
1005 1 10 VAL O 1 46 GLY N . . 2.700 2.937 2.814 3.023 0.323 2 0 "[ . 1 .]" 1
1006 1 9 PHE H 1 79 GLU O . . 1.800 1.760 1.698 1.809 0.009 4 0 "[ . 1 .]" 1
1007 1 9 PHE N 1 79 GLU O . . 2.700 2.699 2.666 2.749 0.049 6 0 "[ . 1 .]" 1
1008 1 9 PHE O 1 79 GLU H . . 1.800 2.139 2.062 2.194 0.394 14 0 "[ . 1 .]" 1
1009 1 9 PHE O 1 79 GLU N . . 2.700 3.099 3.041 3.131 0.431 6 0 "[ . 1 .]" 1
1010 1 26 PHE HA 1 29 PHE QB . . 4.800 2.572 2.341 2.867 . 0 0 "[ . 1 .]" 1
1011 1 26 PHE HA 1 29 PHE HD1 . . 2.800 2.401 2.151 2.744 . 0 0 "[ . 1 .]" 1
1012 1 29 PHE H 1 29 PHE HD1 . . 3.000 2.334 2.194 2.549 . 0 0 "[ . 1 .]" 1
1013 1 29 PHE HZ 1 59 ALA MB . . 5.400 4.897 4.683 5.029 . 0 0 "[ . 1 .]" 1
1014 1 29 PHE HD2 1 59 ALA H . . 4.600 4.247 3.833 4.602 0.002 5 0 "[ . 1 .]" 1
1015 1 29 PHE HD2 1 60 LYS H . . 6.000 5.641 5.500 5.808 . 0 0 "[ . 1 .]" 1
1016 1 29 PHE HE2 1 63 LEU H . . 4.200 4.232 4.210 4.253 0.053 6 0 "[ . 1 .]" 1
1017 1 29 PHE HZ 1 63 LEU H . . 5.000 4.756 4.475 4.999 . 0 0 "[ . 1 .]" 1
1018 1 57 GLU HA 1 80 PHE HZ . . 4.200 2.946 2.066 3.485 . 0 0 "[ . 1 .]" 1
1019 1 57 GLU H 1 80 PHE HZ . . 3.400 3.184 2.788 3.459 0.059 6 0 "[ . 1 .]" 1
1020 1 29 PHE HD1 1 30 LYS H . . 5.400 5.430 5.390 5.471 0.071 4 0 "[ . 1 .]" 1
1021 1 29 PHE HD2 1 59 ALA MB . . 6.000 2.320 2.131 2.543 . 0 0 "[ . 1 .]" 1
1022 1 29 PHE HD1 1 59 ALA MB . . 6.400 5.214 4.839 5.472 . 0 0 "[ . 1 .]" 1
1023 1 29 PHE HD2 1 59 ALA HA . . 3.400 2.559 2.271 2.994 . 0 0 "[ . 1 .]" 1
1024 1 29 PHE QB 1 59 ALA MB . . 6.000 3.078 2.811 3.431 . 0 0 "[ . 1 .]" 1
1025 1 29 PHE HE2 1 59 ALA HA . . 4.400 2.157 2.031 2.350 . 0 0 "[ . 1 .]" 1
1026 1 29 PHE HD2 1 62 ALA MB . . 6.000 4.324 4.045 4.707 . 0 0 "[ . 1 .]" 1
1027 1 29 PHE HE2 1 62 ALA MB . . 5.400 2.230 1.949 2.577 . 0 0 "[ . 1 .]" 1
1028 1 29 PHE HZ 1 63 LEU MD1 . . 4.400 3.201 2.956 3.502 . 0 0 "[ . 1 .]" 1
1029 1 29 PHE HE1 1 63 LEU MD1 . . 6.400 3.270 2.980 3.568 . 0 0 "[ . 1 .]" 1
1030 1 23 TYR QE 1 27 ARG QG . . 5.800 3.975 3.504 4.892 . 0 0 "[ . 1 .]" 1
1031 1 23 TYR QE 1 27 ARG QD . . 4.400 2.952 2.671 3.359 . 0 0 "[ . 1 .]" 1
1032 1 23 TYR QD 1 24 LEU MD2 . . 5.400 2.294 2.080 3.099 . 0 0 "[ . 1 .]" 1
1033 1 23 TYR QE 1 24 LEU MD2 . . 5.400 2.704 2.270 2.984 . 0 0 "[ . 1 .]" 1
1034 1 20 ARG QB 1 23 TYR QD . . 4.800 3.293 2.791 3.627 . 0 0 "[ . 1 .]" 1
1035 1 20 ARG QG 1 23 TYR QD . . 5.800 4.694 4.024 5.481 . 0 0 "[ . 1 .]" 1
1036 1 10 VAL MG2 1 26 PHE HZ . . 4.800 2.355 2.065 2.870 . 0 0 "[ . 1 .]" 1
1037 1 26 PHE QD 1 48 VAL MG1 . . 5.000 3.493 2.975 3.960 . 0 0 "[ . 1 .]" 1
1038 1 26 PHE HE2 1 48 VAL MG2 . . 5.400 3.036 2.245 4.043 . 0 0 "[ . 1 .]" 1
1039 1 26 PHE HE1 1 63 LEU MD1 . . 5.400 2.738 2.281 3.955 . 0 0 "[ . 1 .]" 1
1040 1 26 PHE HE2 1 63 LEU MD1 . . 5.000 4.117 2.734 4.629 . 0 0 "[ . 1 .]" 1
1041 1 26 PHE QD 1 63 LEU MD1 . . 5.800 3.437 3.217 3.629 . 0 0 "[ . 1 .]" 1
1042 1 26 PHE HZ 1 63 LEU MD1 . . 4.400 3.185 2.880 3.486 . 0 0 "[ . 1 .]" 1
1043 1 22 LEU HA 1 26 PHE QD . . 4.400 2.891 2.255 3.409 . 0 0 "[ . 1 .]" 1
1044 1 13 LEU QD 1 68 PHE QE . . 5.800 3.016 2.598 3.670 . 0 0 "[ . 1 .]" 1
1045 1 13 LEU QD 1 68 PHE HD2 . . 6.800 4.742 4.182 5.235 . 0 0 "[ . 1 .]" 1
1046 1 17 ILE MG 1 68 PHE QE . . 6.400 4.119 2.411 5.667 . 0 0 "[ . 1 .]" 1
1047 1 22 LEU HA 1 68 PHE QE . . 3.400 4.356 3.597 4.978 1.578 14 13 "[**-***** ** *+*]" 1
1048 1 21 GLU HB3 1 68 PHE HZ . . 3.600 2.341 1.972 3.701 0.101 14 0 "[ . 1 .]" 1
1049 1 21 GLU HG3 1 68 PHE HZ . . 4.400 4.113 1.936 4.455 0.055 5 0 "[ . 1 .]" 1
1050 1 14 PRO HD2 1 17 ILE MG . . 6.800 3.198 1.999 4.948 . 0 0 "[ . 1 .]" 1
1051 1 14 PRO HD3 1 17 ILE MG . . 6.800 4.493 3.355 5.981 . 0 0 "[ . 1 .]" 1
1052 1 17 ILE MG 1 21 GLU QB . . 6.800 4.424 3.347 6.729 . 0 0 "[ . 1 .]" 1
1053 1 8 LEU MD2 1 80 PHE HD1 . . 6.000 3.249 2.174 4.899 . 0 0 "[ . 1 .]" 1
1054 1 13 LEU QD 1 68 PHE HB2 . . 7.200 4.159 3.708 4.655 . 0 0 "[ . 1 .]" 1
1055 1 13 LEU QD 1 68 PHE HB3 . . 7.200 4.954 4.397 5.529 . 0 0 "[ . 1 .]" 1
1056 1 13 LEU QD 1 17 ILE MD . . 7.400 2.588 1.818 3.276 . 0 0 "[ . 1 .]" 1
1057 1 13 LEU QD 1 17 ILE MG . . 6.400 2.386 1.970 3.434 . 0 0 "[ . 1 .]" 1
1058 1 10 VAL MG1 1 13 LEU QD . . 6.800 2.320 2.059 2.714 . 0 0 "[ . 1 .]" 1
1059 1 25 LEU MD2 1 68 PHE QE . . 5.800 2.924 2.186 4.900 . 0 0 "[ . 1 .]" 1
1060 1 25 LEU MD2 1 68 PHE HD1 . . 6.400 3.615 3.066 4.737 . 0 0 "[ . 1 .]" 1
1061 1 25 LEU MD1 1 68 PHE HA . . 6.800 5.060 4.031 6.143 . 0 0 "[ . 1 .]" 1
1062 1 24 LEU MD2 1 27 ARG QD . . 5.800 3.540 2.407 4.387 . 0 0 "[ . 1 .]" 1
1063 1 66 ILE MD 1 68 PHE HA . . 6.400 4.514 3.762 5.256 . 0 0 "[ . 1 .]" 1
1064 1 13 LEU QD 1 76 LEU MD1 . . 6.800 2.225 1.978 2.682 . 0 0 "[ . 1 .]" 1
1065 1 68 PHE HB2 1 76 LEU MD1 . . 6.400 2.647 1.852 3.689 . 0 0 "[ . 1 .]" 1
1066 1 68 PHE HB3 1 76 LEU MD1 . . 6.400 3.990 3.234 5.055 . 0 0 "[ . 1 .]" 1
1067 1 13 LEU QD 1 22 LEU MD2 . . 6.800 2.059 1.924 2.282 . 0 0 "[ . 1 .]" 1
1068 1 22 LEU H 1 22 LEU HG . . 2.800 2.326 2.154 2.475 . 0 0 "[ . 1 .]" 1
1069 1 25 LEU HA 1 25 LEU HG . . 2.800 2.896 2.878 2.914 0.114 14 0 "[ . 1 .]" 1
1070 1 10 VAL MG2 1 48 VAL MG2 . . 6.800 2.034 1.919 2.098 . 0 0 "[ . 1 .]" 1
1071 1 64 ASN HA 1 78 LEU MD1 . . 6.000 2.667 2.263 3.081 . 0 0 "[ . 1 .]" 1
1072 1 77 ARG HA 1 78 LEU MD1 . . 6.800 3.080 2.756 3.247 . 0 0 "[ . 1 .]" 1
1073 1 60 LYS HA 1 78 LEU MD2 . . 6.400 2.234 2.069 2.574 . 0 0 "[ . 1 .]" 1
1074 1 63 LEU MD1 1 78 LEU MD2 . . 7.400 2.276 2.128 2.524 . 0 0 "[ . 1 .]" 1
1075 1 14 PRO HD2 1 68 PHE HD2 . . 4.400 3.431 3.021 3.820 . 0 0 "[ . 1 .]" 1
1076 1 14 PRO HD3 1 68 PHE HD2 . . 4.400 3.122 2.570 3.766 . 0 0 "[ . 1 .]" 1
1077 1 13 LEU HA 1 68 PHE HD2 . . 5.200 4.701 3.928 5.211 0.011 12 0 "[ . 1 .]" 1
1078 1 63 LEU HA 1 66 ILE MG . . 5.800 2.795 2.283 3.312 . 0 0 "[ . 1 .]" 1
1079 1 20 ARG HA 1 23 TYR QB . . 2.400 2.179 2.073 2.296 . 0 0 "[ . 1 .]" 1
1080 1 21 GLU HA 1 24 LEU MD1 . . 2.200 2.612 2.308 3.002 0.802 14 5 "[* . **1- +.]" 1
1081 1 23 TYR QE 2 70 PRO HD2 . . 4.400 3.917 3.748 3.993 . 0 0 "[ . 1 .]" 1
1082 1 23 TYR QE 2 70 PRO HD3 . . 3.600 2.655 2.478 2.791 . 0 0 "[ . 1 .]" 1
1083 1 23 TYR QE 2 70 PRO HB3 . . 5.400 3.173 2.724 4.111 . 0 0 "[ . 1 .]" 1
1084 1 23 TYR QE 2 66 ILE MD . . 6.400 3.645 2.850 4.431 . 0 0 "[ . 1 .]" 1
1085 1 23 TYR QE 2 68 PHE HA . . 3.400 3.326 2.855 3.482 0.082 1 0 "[ . 1 .]" 1
1086 1 23 TYR QE 2 69 ASP HA . . 4.800 3.857 2.752 4.204 . 0 0 "[ . 1 .]" 1
1087 1 24 LEU MD1 2 68 PHE HE1 . . 5.000 2.854 2.423 3.131 . 0 0 "[ . 1 .]" 1
1088 1 24 LEU MD1 2 68 PHE HZ . . 5.400 2.962 2.659 4.224 . 0 0 "[ . 1 .]" 1
1089 1 24 LEU MD1 2 68 PHE HD2 . . 6.400 4.453 4.074 5.638 . 0 0 "[ . 1 .]" 1
1090 1 24 LEU MD2 2 68 PHE HE1 . . 6.400 3.741 3.128 4.380 . 0 0 "[ . 1 .]" 1
1091 1 24 LEU MD2 2 68 PHE HD2 . . 6.400 4.797 4.133 6.055 . 0 0 "[ . 1 .]" 1
1092 1 20 ARG HD2 2 68 PHE HE2 . . 4.000 3.187 2.457 4.003 0.003 3 0 "[ . 1 .]" 1
1093 1 20 ARG HD3 2 68 PHE HE2 . . 5.400 4.207 3.775 4.609 . 0 0 "[ . 1 .]" 1
1094 1 24 LEU MD2 2 76 LEU MD2 . . 6.800 3.748 3.189 4.126 . 0 0 "[ . 1 .]" 1
1095 1 24 LEU HA 2 76 LEU MD2 . . 7.200 6.729 5.948 7.278 0.078 6 0 "[ . 1 .]" 1
1096 1 24 LEU MD2 2 66 ILE MD . . 7.400 3.820 2.723 4.564 . 0 0 "[ . 1 .]" 1
1097 1 24 LEU MD1 2 21 GLU HA . . 6.400 3.191 2.813 3.819 . 0 0 "[ . 1 .]" 1
1098 1 24 LEU MD1 2 21 GLU QB . . 6.800 2.493 2.075 3.909 . 0 0 "[ . 1 .]" 1
1099 1 24 LEU MD1 2 21 GLU QG . . 5.400 3.269 2.222 3.871 . 0 0 "[ . 1 .]" 1
1100 1 24 LEU MD2 2 68 PHE HA . . 5.400 2.668 2.369 3.106 . 0 0 "[ . 1 .]" 1
1101 1 24 LEU MD1 2 68 PHE HA . . 6.400 4.170 3.551 4.533 . 0 0 "[ . 1 .]" 1
1102 1 24 LEU MD2 2 13 LEU MD2 . . 8.400 5.262 4.869 5.694 . 0 0 "[ . 1 .]" 1
1103 1 24 LEU MD2 2 25 LEU HA . . 6.000 4.354 2.933 5.439 . 0 0 "[ . 1 .]" 1
1104 1 24 LEU MD2 2 25 LEU MD1 . . 2.200 2.052 1.914 2.576 0.376 13 0 "[ . 1 .]" 1
1105 1 24 LEU HA 2 25 LEU MD1 . . 6.000 3.579 2.801 4.615 . 0 0 "[ . 1 .]" 1
1106 1 27 ARG QD 2 25 LEU MD1 . . 6.000 4.583 3.684 5.241 . 0 0 "[ . 1 .]" 1
1107 1 27 ARG QD 2 66 ILE MD . . 6.400 2.432 2.133 2.838 . 0 0 "[ . 1 .]" 1
1108 1 27 ARG QD 2 66 ILE MG . . 6.800 4.653 3.965 5.058 . 0 0 "[ . 1 .]" 1
1109 1 69 ASP HA 2 20 ARG HA . . 5.800 3.730 3.503 4.025 . 0 0 "[ . 1 .]" 1
1110 1 69 ASP HA 2 20 ARG HB2 . . 4.800 3.222 2.277 3.811 . 0 0 "[ . 1 .]" 1
1111 1 69 ASP HA 2 20 ARG HB3 . . 4.800 3.196 2.520 3.616 . 0 0 "[ . 1 .]" 1
1112 1 69 ASP HA 2 20 ARG HD2 . . 5.200 4.701 4.367 5.060 . 0 0 "[ . 1 .]" 1
1113 1 69 ASP HA 2 20 ARG HD3 . . 5.200 5.290 5.244 5.345 0.145 8 0 "[ . 1 .]" 1
1114 1 20 ARG HA 2 69 ASP HB2 . . 5.800 4.924 3.519 5.953 0.153 15 0 "[ . 1 .]" 1
1115 1 20 ARG HA 2 69 ASP HB3 . . 5.800 4.891 3.804 5.861 0.061 3 0 "[ . 1 .]" 1
1116 1 20 ARG QD 2 69 ASP HB3 . . 6.800 3.781 2.152 4.585 . 0 0 "[ . 1 .]" 1
1117 1 20 ARG QD 2 69 ASP HB2 . . 6.800 3.657 2.324 4.803 . 0 0 "[ . 1 .]" 1
1118 1 20 ARG HA 2 70 PRO HD2 . . 5.400 3.956 3.433 5.080 . 0 0 "[ . 1 .]" 1
1119 1 20 ARG HA 2 70 PRO HD3 . . 5.400 4.893 4.501 5.216 . 0 0 "[ . 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 4
_Distance_constraint_stats_list.Viol_count 58
_Distance_constraint_stats_list.Viol_total 765.859
_Distance_constraint_stats_list.Viol_max 2.097
_Distance_constraint_stats_list.Viol_rms 0.5408
_Distance_constraint_stats_list.Viol_average_all_restraints 0.8510
_Distance_constraint_stats_list.Viol_average_violations_only 0.8803
_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 24 LEU 7.737 1.725 13 7 "[** - * * +*.]"
1 29 PHE 6.469 0.562 15 2 "[ . - +]"
1 31 GLY 6.469 0.562 15 2 "[ . - +]"
1 68 PHE 13.408 1.157 12 15 [***********+**-]
1 69 ASP 23.443 2.097 8 15 [*******+****-**]
1 74 GLN 23.443 2.097 8 15 [*******+****-**]
1 75 THR 13.408 1.157 12 15 [***********+**-]
2 25 LEU 7.737 1.725 13 7 "[** - * * +*.]"
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 68 PHE H 1 75 THR H . . 4.400 5.294 4.941 5.557 1.157 12 15 [***********+**-] 2
2 1 69 ASP H 1 74 GLN H . . 4.000 5.563 5.051 6.097 2.097 8 15 [*******+****-**] 2
3 1 29 PHE QB 1 31 GLY H . . 4.400 4.831 4.702 4.962 0.562 15 2 "[ . - +]" 2
4 1 24 LEU HA 2 25 LEU HA . . 4.800 5.273 4.477 6.525 1.725 13 7 "[** - * * +*.]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 2:46:30 PM GMT (wattos1)