NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637145 |
6e3c   |
27435 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6e3c
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 71
_Distance_constraint_stats_list.Viol_count 227
_Distance_constraint_stats_list.Viol_total 769.142
_Distance_constraint_stats_list.Viol_max 1.066
_Distance_constraint_stats_list.Viol_rms 0.1047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0271
_Distance_constraint_stats_list.Viol_average_violations_only 0.1694
_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 7 PRO 0.216 0.153 4 0 "[ . 1 . 2]"
1 8 ASN 0.216 0.153 4 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PRO 0.358 0.306 16 0 "[ . 1 . 2]"
1 12 SER 0.070 0.070 2 0 "[ . 1 . 2]"
1 13 TRP 2.995 0.505 6 1 "[ .+ 1 . 2]"
1 14 PRO 0.842 0.306 16 0 "[ . 1 . 2]"
1 15 LEU 1.032 0.505 6 1 "[ .+ 1 . 2]"
1 16 TYR 0.024 0.024 20 0 "[ . 1 . 2]"
1 17 LYS 1.029 0.492 7 0 "[ . 1 . 2]"
1 22 VAL 1.029 0.492 7 0 "[ . 1 . 2]"
1 23 TYR 2.062 0.505 6 1 "[ .+ 1 . 2]"
1 24 VAL 0.774 0.256 11 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 13.401 1.066 19 13 "[* -* **** * *** +*]"
1 29 ILE 5.132 0.374 12 0 "[ . 1 . 2]"
1 30 LYS 1.244 0.407 12 0 "[ . 1 . 2]"
1 31 ALA 7.239 0.407 12 0 "[ . 1 . 2]"
1 32 ILE 6.916 0.350 20 0 "[ . 1 . 2]"
1 33 LYS 6.006 0.350 20 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASN 0.898 0.274 15 0 "[ . 1 . 2]"
1 42 ALA 0.242 0.179 6 0 "[ . 1 . 2]"
1 43 GLU 1.244 0.407 12 0 "[ . 1 . 2]"
1 44 PHE 0.231 0.179 6 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 11.878 1.066 19 13 "[* -* **** * *** +*]"
1 52 TYR 0.910 0.190 13 0 "[ . 1 . 2]"
1 54 SER 0.153 0.110 19 0 "[ . 1 . 2]"
1 56 GLN 0.153 0.110 19 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 1.063 0.190 13 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.153 0.110 19 0 "[ . 1 . 2]"
1 63 PRO 6.157 0.374 12 0 "[ . 1 . 2]"
1 64 GLU 1.161 0.155 4 0 "[ . 1 . 2]"
1 66 GLY 0.136 0.136 17 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TYR 7.488 0.922 13 1 "[ . 1 + . 2]"
1 69 LEU 0.359 0.129 6 0 "[ . 1 . 2]"
1 70 PHE 13.020 1.066 19 13 "[* -* **** * *** +*]"
1 71 ARG 13.287 1.066 19 13 "[* -* **** * *** +*]"
1 72 SER 0.050 0.050 17 0 "[ . 1 . 2]"
1 73 GLN 0.509 0.162 18 0 "[ . 1 . 2]"
1 74 TYR 0.182 0.048 15 0 "[ . 1 . 2]"
1 75 GLY 0.459 0.162 18 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.808 0.256 11 0 "[ . 1 . 2]"
1 79 TYR 0.548 0.126 20 0 "[ . 1 . 2]"
1 80 MET 1.014 0.229 16 0 "[ . 1 . 2]"
1 81 SER 0.815 0.133 10 0 "[ . 1 . 2]"
1 82 LYS 0.403 0.136 17 0 "[ . 1 . 2]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 0.548 0.126 20 0 "[ . 1 . 2]"
1 85 PHE 2.153 0.922 13 1 "[ . 1 + . 2]"
1 86 GLU 2.548 0.922 13 1 "[ . 1 + . 2]"
1 88 ASN 0.293 0.293 20 0 "[ . 1 . 2]"
1 89 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 THR 0.483 0.030 9 0 "[ . 1 . 2]"
1 91 SER 2.548 0.922 13 1 "[ . 1 + . 2]"
1 92 ALA 0.483 0.030 9 0 "[ . 1 . 2]"
1 93 SER 1.839 0.253 15 0 "[ . 1 . 2]"
1 94 GLY 0.661 0.165 10 0 "[ . 1 . 2]"
1 95 SER 0.293 0.293 20 0 "[ . 1 . 2]"
1 96 VAL 0.694 0.253 15 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.529 0.109 18 0 "[ . 1 . 2]"
1 100 GLU 0.293 0.293 20 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 THR 0.280 0.070 19 0 "[ . 1 . 2]"
1 108 ALA 0.280 0.070 19 0 "[ . 1 . 2]"
1 109 ARG 0.529 0.109 18 0 "[ . 1 . 2]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 THR 0.073 0.073 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 PRO HA 1 13 TRP H 3.127 2.189 4.065 3.710 3.059 4.371 0.306 16 0 "[ . 1 . 2]" 1
2 1 13 TRP HZ3 1 27 LEU H 3.240 2.268 4.212 3.462 1.994 4.316 0.274 15 0 "[ . 1 . 2]" 1
3 1 32 ILE HG13 1 33 LYS H 3.335 2.335 4.335 4.186 3.957 4.346 0.011 8 0 "[ . 1 . 2]" 1
4 1 57 THR H 1 59 ALA H 2.393 . 3.111 2.507 2.335 2.613 . 0 0 "[ . 1 . 2]" 1
5 1 59 ALA H 1 61 PHE H 3.085 2.159 4.011 3.620 3.491 3.723 . 0 0 "[ . 1 . 2]" 1
6 1 57 THR H 1 58 VAL H 2.403 . 3.124 2.423 2.367 2.505 . 0 0 "[ . 1 . 2]" 1
7 1 56 GLN H 1 58 VAL H 3.284 2.299 4.269 3.794 3.676 3.999 . 0 0 "[ . 1 . 2]" 1
8 1 63 PRO HD3 1 64 GLU H 3.136 2.195 5.077 4.958 4.171 5.232 0.155 4 0 "[ . 1 . 2]" 1
9 1 27 LEU HB2 1 70 PHE H 4.400 3.080 5.720 4.033 3.045 4.732 0.035 2 0 "[ . 1 . 2]" 1
10 1 29 ILE H 1 67 GLY H 3.498 2.449 4.547 3.668 3.332 3.988 . 0 0 "[ . 1 . 2]" 1
11 1 74 TYR H 1 74 TYR QB 2.833 . 3.683 2.505 2.327 2.621 . 0 0 "[ . 1 . 2]" 1
12 1 74 TYR H 1 74 TYR QE 2.908 2.036 3.780 3.265 2.815 3.522 . 0 0 "[ . 1 . 2]" 1
13 1 71 ARG QG 1 75 GLY H 3.283 2.298 4.268 3.858 3.514 4.430 0.162 18 0 "[ . 1 . 2]" 1
14 1 79 TYR QE 1 81 SER H 3.375 2.363 4.387 4.086 3.078 4.513 0.126 20 0 "[ . 1 . 2]" 1
15 1 68 TYR HB3 1 91 SER H 3.239 2.267 4.711 4.398 3.696 5.633 0.922 13 1 "[ . 1 + . 2]" 1
16 1 85 PHE QB 1 91 SER H 3.707 2.595 4.819 4.400 3.697 5.641 0.822 13 1 "[ . 1 + . 2]" 1
17 1 86 GLU HA 1 91 SER H 3.301 2.311 4.291 3.985 3.438 4.192 . 0 0 "[ . 1 . 2]" 1
18 1 13 TRP HB2 1 91 SER H 2.932 2.053 4.011 3.958 3.435 4.176 0.165 10 0 "[ . 1 . 2]" 1
19 1 93 SER QB 1 96 VAL H 3.137 2.196 4.078 3.434 2.429 4.331 0.253 15 0 "[ . 1 . 2]" 1
20 1 7 PRO HB2 1 8 ASN H 3.087 2.161 4.013 2.991 2.008 3.951 0.153 4 0 "[ . 1 . 2]" 1
21 1 8 ASN HA 1 9 PHE H 2.941 2.059 3.823 2.542 2.179 2.797 . 0 0 "[ . 1 . 2]" 1
22 1 9 PHE H 1 9 PHE QB 2.750 . 3.575 2.855 2.368 3.382 . 0 0 "[ . 1 . 2]" 1
23 1 12 SER HB2 1 13 TRP H 2.487 . 3.233 2.605 2.077 3.303 0.070 2 0 "[ . 1 . 2]" 1
24 1 31 ALA MB 1 32 ILE H 2.505 . 3.257 2.429 2.246 2.632 . 0 0 "[ . 1 . 2]" 1
25 1 31 ALA HA 1 32 ILE H 2.452 . 3.188 2.249 2.135 2.375 . 0 0 "[ . 1 . 2]" 1
26 1 27 LEU HB2 1 44 PHE H 3.773 2.641 4.905 4.583 4.032 5.084 0.179 6 0 "[ . 1 . 2]" 1
27 1 41 ASN QB 1 42 ALA H 3.384 2.369 4.399 3.225 2.668 3.682 . 0 0 "[ . 1 . 2]" 1
28 1 29 ILE HA 1 43 GLU H 3.605 2.524 5.500 4.412 3.723 5.218 . 0 0 "[ . 1 . 2]" 1
29 1 30 LYS QB 1 31 ALA H 3.027 2.119 3.935 2.110 1.712 2.348 0.407 12 0 "[ . 1 . 2]" 1
30 1 56 GLN HA 1 58 VAL H 2.741 . 3.563 2.579 2.307 2.667 . 0 0 "[ . 1 . 2]" 1
31 1 72 SER HB2 1 73 GLN QE 3.307 2.315 4.299 3.766 2.374 4.349 0.050 17 0 "[ . 1 . 2]" 1
32 1 70 PHE QB 1 80 MET H 3.269 2.288 4.250 4.181 3.742 4.479 0.229 16 0 "[ . 1 . 2]" 1
33 1 85 PHE QB 1 86 GLU H 2.938 2.057 3.819 2.483 2.065 2.900 . 0 0 "[ . 1 . 2]" 1
34 1 83 THR H 1 85 PHE H 3.268 2.288 4.248 2.692 2.417 2.989 . 0 0 "[ . 1 . 2]" 1
35 1 86 GLU QB 1 89 TYR H 3.567 2.497 4.637 2.926 2.748 3.163 . 0 0 "[ . 1 . 2]" 1
36 1 79 TYR QE 1 97 ALA H 3.920 2.744 5.096 3.991 3.096 4.809 . 0 0 "[ . 1 . 2]" 1
37 1 101 THR HA 1 102 ALA H 2.822 . 3.669 2.447 2.169 2.811 . 0 0 "[ . 1 . 2]" 1
38 1 107 THR HA 1 108 ALA H 2.831 . 3.680 2.445 1.912 2.819 0.070 19 0 "[ . 1 . 2]" 1
39 1 99 ALA H 1 99 ALA HA 3.399 2.379 4.419 2.733 2.270 2.943 0.109 18 0 "[ . 1 . 2]" 1
40 1 113 LEU H 1 113 LEU HB2 2.940 2.058 3.822 2.554 2.116 3.281 . 0 0 "[ . 1 . 2]" 1
41 1 134 THR H 1 134 THR HA 3.252 2.276 4.228 2.740 2.203 2.847 0.073 18 0 "[ . 1 . 2]" 1
42 1 13 TRP HB2 1 15 LEU QB 4.201 3.151 5.251 4.421 2.646 5.467 0.505 6 1 "[ .+ 1 . 2]" 1
43 1 17 LYS QB 1 22 VAL HA 4.123 3.092 5.154 4.081 2.600 4.992 0.492 7 0 "[ . 1 . 2]" 1
44 1 15 LEU HG 1 16 TYR QR 3.914 2.935 4.893 4.093 2.911 4.890 0.024 20 0 "[ . 1 . 2]" 1
45 1 25 SER H 1 71 ARG HB2 3.472 2.430 5.500 4.200 2.826 4.757 . 0 0 "[ . 1 . 2]" 1
46 1 24 VAL QG 1 71 ARG HA 4.056 3.042 5.070 3.283 2.786 3.785 0.256 11 0 "[ . 1 . 2]" 1
47 1 24 VAL QG 1 71 ARG QG 3.853 2.890 5.316 4.253 3.645 4.836 . 0 0 "[ . 1 . 2]" 1
48 1 15 LEU QD 1 27 LEU HA 4.355 3.266 5.444 4.079 3.949 4.228 . 0 0 "[ . 1 . 2]" 1
49 1 27 LEU QD 1 51 GLN QB 4.184 3.138 5.230 2.581 2.072 3.759 1.066 19 13 "[* -* **** * *** +*]" 1
50 1 29 ILE HA 1 29 ILE MD 4.790 3.593 5.987 3.343 3.219 3.474 0.374 12 0 "[ . 1 . 2]" 1
51 1 31 ALA HA 1 32 ILE MD 3.795 2.846 4.744 3.695 3.673 3.725 . 0 0 "[ . 1 . 2]" 1
52 1 31 ALA MB 1 32 ILE HA 3.900 2.925 4.875 2.625 2.575 2.707 0.350 20 0 "[ . 1 . 2]" 1
53 1 29 ILE MD 1 63 PRO HA 4.311 3.233 5.389 3.955 3.297 4.761 . 0 0 "[ . 1 . 2]" 1
54 1 29 ILE HB 1 67 GLY HA3 4.185 3.139 5.231 4.183 3.699 5.220 . 0 0 "[ . 1 . 2]" 1
55 1 35 ALA HA 1 36 ASN HA 3.883 2.912 4.854 4.156 4.108 4.220 . 0 0 "[ . 1 . 2]" 1
56 1 42 ALA HA 1 51 GLN QB 3.847 2.885 4.809 4.150 3.484 4.463 . 0 0 "[ . 1 . 2]" 1
57 1 32 ILE MG 1 52 TYR HA 3.408 2.556 5.500 5.481 4.981 5.690 0.190 13 0 "[ . 1 . 2]" 1
58 1 54 SER QB 1 58 VAL MG1 2.665 . 3.331 2.903 2.375 3.441 0.110 19 0 "[ . 1 . 2]" 1
59 1 58 VAL MG1 1 59 ALA HA 3.977 2.983 4.971 3.483 3.133 3.820 . 0 0 "[ . 1 . 2]" 1
60 1 40 ALA MB 1 58 VAL HA 4.387 3.290 5.484 4.512 4.223 5.062 . 0 0 "[ . 1 . 2]" 1
61 1 40 ALA HA 1 58 VAL MG1 2.671 2.003 5.500 3.841 3.428 4.274 . 0 0 "[ . 1 . 2]" 1
62 1 62 LYS QB 1 63 PRO HA 4.275 3.206 5.344 4.754 4.566 4.925 . 0 0 "[ . 1 . 2]" 1
63 1 29 ILE HB 1 66 GLY HA3 4.347 3.260 5.434 5.019 4.067 5.570 0.136 17 0 "[ . 1 . 2]" 1
64 1 70 PHE HA 1 71 ARG HD2 6.133 4.600 7.666 6.410 5.381 7.276 . 0 0 "[ . 1 . 2]" 1
65 1 27 LEU HG 1 70 PHE HA 4.474 3.355 5.593 3.771 3.226 4.286 0.129 6 0 "[ . 1 . 2]" 1
66 1 73 GLN HA 1 74 TYR HA 3.060 2.295 4.325 4.296 4.181 4.373 0.048 15 0 "[ . 1 . 2]" 1
67 1 71 ARG QG 1 74 TYR HA 4.632 3.474 5.790 4.364 4.023 4.740 . 0 0 "[ . 1 . 2]" 1
68 1 68 TYR HB2 1 82 LYS HB2 4.487 3.365 5.609 3.775 3.232 4.659 0.133 10 0 "[ . 1 . 2]" 1
69 1 84 ALA HA 1 85 PHE QB 4.486 3.364 5.608 4.471 4.248 4.694 . 0 0 "[ . 1 . 2]" 1
70 1 88 ASN QB 1 95 SER QB 3.748 2.811 4.685 3.716 2.518 4.473 0.293 20 0 "[ . 1 . 2]" 1
71 1 14 PRO HA 1 92 ALA MB 2.864 2.148 3.580 2.124 2.118 2.134 0.030 9 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 653
_Distance_constraint_stats_list.Viol_count 2602
_Distance_constraint_stats_list.Viol_total 7894.261
_Distance_constraint_stats_list.Viol_max 1.693
_Distance_constraint_stats_list.Viol_rms 0.1081
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0302
_Distance_constraint_stats_list.Viol_average_violations_only 0.1517
_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 5 ALA 3.893 0.590 13 3 "[ - * 1 + . 2]"
1 6 ASN 7.203 0.590 13 3 "[ - * 1 + . 2]"
1 7 PRO 0.157 0.039 3 0 "[ . 1 . 2]"
1 8 ASN 3.426 0.458 16 0 "[ . 1 . 2]"
1 9 PHE 0.306 0.068 16 0 "[ . 1 . 2]"
1 10 THR 0.267 0.065 2 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TRP 2.869 0.214 19 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 10.810 1.197 14 8 "[ * *.- 1* *+* *]"
1 16 TYR 4.424 1.075 13 1 "[ . 1 + . 2]"
1 17 LYS 8.504 0.334 3 0 "[ . 1 . 2]"
1 18 ASP 3.837 0.318 17 0 "[ . 1 . 2]"
1 19 ALA 4.580 0.287 2 0 "[ . 1 . 2]"
1 20 ASP 2.782 0.177 17 0 "[ . 1 . 2]"
1 21 GLY 2.641 0.318 17 0 "[ . 1 . 2]"
1 22 VAL 8.164 0.688 5 1 "[ + 1 . 2]"
1 23 TYR 17.973 1.197 14 7 "[ * *.- 1* +* *]"
1 24 VAL 54.056 1.693 14 20 [**********-**+******]
1 25 SER 2.378 0.272 1 0 "[ . 1 . 2]"
1 26 ALA 7.362 0.346 9 0 "[ . 1 . 2]"
1 27 LEU 14.440 0.647 9 7 "[* * +1 **-. * 2]"
1 28 PRO 1.645 0.232 8 0 "[ . 1 . 2]"
1 29 ILE 1.814 0.197 16 0 "[ . 1 . 2]"
1 30 LYS 4.375 0.435 2 0 "[ . 1 . 2]"
1 31 ALA 1.598 0.209 12 0 "[ . 1 . 2]"
1 32 ILE 6.123 0.289 12 0 "[ . 1 . 2]"
1 33 LYS 8.777 0.289 12 0 "[ . 1 . 2]"
1 34 TYR 7.090 0.280 19 0 "[ . 1 . 2]"
1 35 ALA 8.649 0.352 12 0 "[ . 1 . 2]"
1 36 ASN 7.676 0.356 17 0 "[ . 1 . 2]"
1 37 ASP 0.067 0.031 13 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 1.364 0.200 18 0 "[ . 1 . 2]"
1 40 ALA 1.018 0.135 14 0 "[ . 1 . 2]"
1 41 ASN 1.107 0.169 18 0 "[ . 1 . 2]"
1 42 ALA 5.243 0.397 4 0 "[ . 1 . 2]"
1 43 GLU 5.702 0.289 19 0 "[ . 1 . 2]"
1 44 PHE 7.830 0.963 4 2 "[ +. 1 . - 2]"
1 45 ASP 10.823 0.583 3 2 "[ + . 1- . 2]"
1 46 GLY 9.495 0.963 4 4 "[ *+. 1- . * 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 TYR 8.723 0.647 9 7 "[* * +1 **-. * 2]"
1 49 ALA 2.673 0.259 16 0 "[ . 1 . 2]"
1 50 ASP 2.423 0.289 19 0 "[ . 1 . 2]"
1 51 GLN 12.147 0.828 5 4 "[ + * 1 . * -]"
1 52 TYR 1.135 0.173 11 0 "[ . 1 . 2]"
1 53 MET 1.532 0.200 18 0 "[ . 1 . 2]"
1 54 SER 2.540 0.835 6 1 "[ .+ 1 . 2]"
1 55 ALA 4.780 0.166 20 0 "[ . 1 . 2]"
1 56 GLN 5.745 0.453 6 0 "[ . 1 . 2]"
1 57 THR 10.167 0.453 6 0 "[ . 1 . 2]"
1 58 VAL 14.513 0.835 6 1 "[ .+ 1 . 2]"
1 59 ALA 6.512 0.239 14 0 "[ . 1 . 2]"
1 60 VAL 8.143 0.194 16 0 "[ . 1 . 2]"
1 61 PHE 11.096 1.513 16 4 "[ * . 1 .+* -]"
1 62 LYS 11.973 0.439 1 0 "[ . 1 . 2]"
1 63 PRO 1.972 0.178 16 0 "[ . 1 . 2]"
1 64 GLU 7.958 0.470 7 0 "[ . 1 . 2]"
1 65 VAL 11.057 0.470 7 0 "[ . 1 . 2]"
1 66 GLY 5.849 0.310 6 0 "[ . 1 . 2]"
1 67 GLY 3.906 0.234 2 0 "[ . 1 . 2]"
1 68 TYR 2.749 0.234 2 0 "[ . 1 . 2]"
1 69 LEU 4.862 0.321 10 0 "[ . 1 . 2]"
1 70 PHE 32.537 1.693 14 20 [*************+***-**]
1 71 ARG 16.961 1.552 5 14 "[ *+****1**-**** *2]"
1 72 SER 10.949 1.339 17 4 "[ * 1- * . + 2]"
1 73 GLN 5.469 0.688 5 1 "[ + 1 . 2]"
1 74 TYR 0.788 0.138 10 0 "[ . 1 . 2]"
1 75 GLY 0.866 0.138 10 0 "[ . 1 . 2]"
1 76 GLU 2.041 0.503 6 1 "[ .+ 1 . 2]"
1 77 LEU 24.983 1.552 5 16 "[ * *+-***1******* **]"
1 78 LEU 9.205 0.811 7 7 "[** . +* 1 * * -]"
1 79 TYR 7.567 0.811 7 7 "[** . +* 1 * * -]"
1 80 MET 1.384 0.335 8 0 "[ . 1 . 2]"
1 81 SER 1.381 0.335 8 0 "[ . 1 . 2]"
1 82 LYS 4.680 0.745 13 3 "[ * .- 1 + . 2]"
1 83 THR 2.659 0.507 6 1 "[ .+ 1 . 2]"
1 84 ALA 2.551 0.215 15 0 "[ . 1 . 2]"
1 85 PHE 0.420 0.142 6 0 "[ . 1 . 2]"
1 86 GLU 14.132 1.202 12 8 "[ * * -1 +* .* **]"
1 87 ALA 6.011 0.291 15 0 "[ . 1 . 2]"
1 88 ASN 2.092 0.323 3 0 "[ . 1 . 2]"
1 89 TYR 25.865 1.202 12 8 "[ -* *1 + .* ***]"
1 90 THR 16.182 1.093 19 8 "[ -* *1 * .* *+*]"
1 91 SER 8.187 0.566 20 1 "[ . 1 . +]"
1 92 ALA 3.510 0.566 20 1 "[ . 1 . +]"
1 93 SER 2.109 0.272 20 0 "[ . 1 . 2]"
1 94 GLY 1.929 0.272 20 0 "[ . 1 . 2]"
1 95 SER 8.194 1.380 4 7 "[ - +. *** .** 2]"
1 96 VAL 4.313 0.451 17 0 "[ . 1 . 2]"
1 97 ALA 0.469 0.071 8 0 "[ . 1 . 2]"
1 98 ASN 1.827 0.322 3 0 "[ . 1 . 2]"
1 99 ALA 2.671 0.369 18 0 "[ . 1 . 2]"
1 100 GLU 10.977 1.380 4 7 "[ - +. *** .** 2]"
1 101 THR 0.782 0.322 3 0 "[ . 1 . 2]"
1 102 ALA 1.011 0.148 5 0 "[ . 1 . 2]"
1 103 ASP 0.622 0.245 8 0 "[ . 1 . 2]"
1 104 LYS 4.373 0.592 2 4 "[*+ . 1 . -*]"
1 106 SER 2.192 0.200 16 0 "[ . 1 . 2]"
1 107 THR 3.153 0.200 16 0 "[ . 1 . 2]"
1 108 ALA 1.224 0.196 6 0 "[ . 1 . 2]"
1 109 ARG 1.831 0.184 10 0 "[ . 1 . 2]"
1 110 THR 1.292 0.181 4 0 "[ . 1 . 2]"
1 111 ILE 2.762 0.198 3 0 "[ . 1 . 2]"
1 112 THR 0.909 0.181 4 0 "[ . 1 . 2]"
1 113 LEU 4.209 0.404 17 0 "[ . 1 . 2]"
1 114 THR 3.626 0.404 17 0 "[ . 1 . 2]"
1 115 GLY 0.511 0.137 17 0 "[ . 1 . 2]"
1 116 ALA 0.793 0.127 4 0 "[ . 1 . 2]"
1 117 VAL 2.746 0.191 13 0 "[ . 1 . 2]"
1 118 THR 0.232 0.083 12 0 "[ . 1 . 2]"
1 119 GLY 1.194 0.170 14 0 "[ . 1 . 2]"
1 120 SER 9.440 1.368 6 8 "[* .+ * 1* *** - 2]"
1 121 ALA 8.489 1.368 6 8 "[* .+ * 1* *** - 2]"
1 122 SER 0.940 0.219 1 0 "[ . 1 . 2]"
1 123 PHE 0.713 0.219 1 0 "[ . 1 . 2]"
1 124 ASP 1.558 0.179 20 0 "[ . 1 . 2]"
1 125 GLY 1.479 0.179 20 0 "[ . 1 . 2]"
1 126 SER 0.574 0.135 4 0 "[ . 1 . 2]"
1 127 ALA 1.133 0.135 4 0 "[ . 1 . 2]"
1 128 ASN 2.405 0.180 9 0 "[ . 1 . 2]"
1 129 VAL 1.098 0.592 9 1 "[ . +1 . 2]"
1 130 THR 0.307 0.050 16 0 "[ . 1 . 2]"
1 131 ILE 1.098 0.592 9 1 "[ . +1 . 2]"
1 132 GLU 0.864 0.295 17 0 "[ . 1 . 2]"
1 134 THR 0.184 0.166 18 0 "[ . 1 . 2]"
1 135 SER 6.281 0.820 1 7 "[+ . ** 1- * * *]"
1 136 GLY 6.281 0.820 1 7 "[+ . ** 1- * * *]"
1 137 SER 3.137 0.348 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 27 LEU HG 1 71 ARG H 3.566 2.496 5.500 5.441 4.148 5.618 0.118 3 0 "[ . 1 . 2]" 2
2 1 61 PHE QD 1 77 LEU QD 4.600 3.700 5.500 3.928 2.187 4.772 1.513 16 4 "[ * . 1 .+* -]" 2
3 1 22 VAL QG 1 73 GLN QE 3.674 2.572 4.776 3.491 1.884 4.534 0.688 5 1 "[ + 1 . 2]" 2
4 1 7 PRO HD2 1 8 ASN H 3.127 2.189 4.065 3.113 2.371 4.104 0.039 3 0 "[ . 1 . 2]" 2
5 1 8 ASN H 1 9 PHE H 2.289 2.127 2.976 2.592 2.214 3.044 0.068 16 0 "[ . 1 . 2]" 2
6 1 9 PHE H 1 9 PHE QE 4.002 2.801 5.203 4.451 3.855 5.101 . 0 0 "[ . 1 . 2]" 2
7 1 9 PHE QB 1 10 THR H 3.066 2.146 3.986 3.070 2.081 4.008 0.065 2 0 "[ . 1 . 2]" 2
8 1 9 PHE QD 1 10 THR H 4.001 2.801 5.201 4.053 3.201 4.943 . 0 0 "[ . 1 . 2]" 2
9 1 13 TRP H 1 13 TRP HZ3 3.461 2.423 4.499 4.368 4.108 4.559 0.060 2 0 "[ . 1 . 2]" 2
10 1 13 TRP H 1 13 TRP HZ2 4.070 2.849 5.291 5.351 5.045 5.468 0.177 16 0 "[ . 1 . 2]" 2
11 1 15 LEU H 1 15 LEU HB2 2.913 2.039 3.787 2.502 2.210 2.751 . 0 0 "[ . 1 . 2]" 2
12 1 17 LYS H 1 18 ASP H 3.156 2.209 4.103 4.261 4.132 4.389 0.286 16 0 "[ . 1 . 2]" 2
13 1 18 ASP H 1 18 ASP HB2 3.177 2.224 4.130 3.569 3.429 3.863 . 0 0 "[ . 1 . 2]" 2
14 1 20 ASP H 1 21 GLY HA3 3.668 2.568 4.768 4.831 4.770 4.890 0.122 12 0 "[ . 1 . 2]" 2
15 1 21 GLY H 1 22 VAL QG 3.105 2.174 5.500 3.497 3.225 3.635 . 0 0 "[ . 1 . 2]" 2
16 1 22 VAL H 1 22 VAL HA 4.274 2.992 5.556 2.890 2.846 2.959 0.146 8 0 "[ . 1 . 2]" 2
17 1 22 VAL H 1 22 VAL QG 3.240 2.268 3.438 2.364 2.225 2.591 0.043 9 0 "[ . 1 . 2]" 2
18 1 22 VAL HA 1 23 TYR H 2.524 . 3.281 2.188 2.113 2.402 . 0 0 "[ . 1 . 2]" 2
19 1 22 VAL H 1 23 TYR H 3.833 2.683 4.983 4.455 4.247 4.614 . 0 0 "[ . 1 . 2]" 2
20 1 23 TYR H 1 24 VAL H 3.319 2.323 4.315 4.458 4.386 4.494 0.179 7 0 "[ . 1 . 2]" 2
21 1 24 VAL HA 1 25 SER H 2.696 . 3.505 2.152 2.092 2.219 . 0 0 "[ . 1 . 2]" 2
22 1 16 TYR H 1 25 SER HA 4.928 . 6.000 3.978 3.094 4.928 . 0 0 "[ . 1 . 2]" 2
23 1 25 SER HA 1 26 ALA H 2.467 . 3.207 2.286 2.219 2.422 . 0 0 "[ . 1 . 2]" 2
24 1 26 ALA H 1 27 LEU H 3.190 2.233 4.147 4.288 4.234 4.381 0.234 17 0 "[ . 1 . 2]" 2
25 1 27 LEU H 1 27 LEU QD 2.928 2.050 3.806 2.274 2.009 3.319 0.041 4 0 "[ . 1 . 2]" 2
26 1 27 LEU H 1 70 PHE HA 3.571 2.500 4.642 2.671 2.318 3.084 0.182 16 0 "[ . 1 . 2]" 2
27 1 30 LYS H 1 44 PHE H 3.054 2.138 5.500 4.923 4.585 5.935 0.435 2 0 "[ . 1 . 2]" 2
28 1 30 LYS H 1 44 PHE QD 3.264 2.285 5.500 4.011 2.966 5.560 0.060 16 0 "[ . 1 . 2]" 2
29 1 32 ILE H 1 32 ILE MD 3.326 2.328 4.324 4.077 3.835 4.242 . 0 0 "[ . 1 . 2]" 2
30 1 32 ILE H 1 32 ILE HA 3.203 2.242 4.164 2.923 2.902 2.941 . 0 0 "[ . 1 . 2]" 2
31 1 33 LYS H 1 42 ALA HA 3.876 2.713 5.039 3.648 3.019 4.061 . 0 0 "[ . 1 . 2]" 2
32 1 33 LYS H 1 34 TYR H 3.091 2.233 4.018 4.126 4.035 4.298 0.280 19 0 "[ . 1 . 2]" 2
33 1 34 TYR H 1 35 ALA H 3.527 2.469 4.208 4.337 4.252 4.430 0.222 9 0 "[ . 1 . 2]" 2
34 1 35 ALA H 1 36 ASN H 3.181 2.227 4.135 4.437 4.310 4.487 0.352 12 0 "[ . 1 . 2]" 2
35 1 36 ASN H 1 36 ASN QD 3.216 2.251 4.102 2.657 2.169 3.753 0.082 14 0 "[ . 1 . 2]" 2
36 1 36 ASN H 1 36 ASN HA 3.181 2.227 4.135 2.829 2.771 2.881 . 0 0 "[ . 1 . 2]" 2
37 1 36 ASN QD 1 37 ASP H 3.218 2.253 4.183 3.560 3.219 4.092 . 0 0 "[ . 1 . 2]" 2
38 1 36 ASN H 1 38 GLY H 3.126 2.188 5.500 4.129 3.781 4.291 . 0 0 "[ . 1 . 2]" 2
39 1 38 GLY H 1 39 SER H 3.297 2.308 4.286 2.601 2.320 2.898 . 0 0 "[ . 1 . 2]" 2
40 1 39 SER H 1 39 SER QB 3.152 2.206 4.098 2.544 2.227 2.682 . 0 0 "[ . 1 . 2]" 2
41 1 35 ALA H 1 41 ASN H 3.056 2.178 5.500 4.226 3.506 5.050 . 0 0 "[ . 1 . 2]" 2
42 1 41 ASN HA 1 53 MET H 5.788 . 6.000 3.611 2.872 4.777 . 0 0 "[ . 1 . 2]" 2
43 1 32 ILE MG 1 42 ALA H 2.661 . 5.500 4.412 3.832 4.920 . 0 0 "[ . 1 . 2]" 2
44 1 42 ALA H 1 51 GLN H 2.693 2.282 3.501 2.642 2.276 3.329 0.006 6 0 "[ . 1 . 2]" 2
45 1 31 ALA H 1 43 GLU H 3.045 2.132 5.500 3.221 2.968 3.820 . 0 0 "[ . 1 . 2]" 2
46 1 43 GLU H 1 43 GLU QB 3.436 2.405 4.467 2.612 2.263 3.338 0.142 16 0 "[ . 1 . 2]" 2
47 1 43 GLU HA 1 44 PHE H 3.385 2.369 4.401 2.223 2.185 2.317 0.184 11 0 "[ . 1 . 2]" 2
48 1 44 PHE QD 1 45 ASP H 3.022 2.116 3.928 3.509 2.297 3.966 0.038 1 0 "[ . 1 . 2]" 2
49 1 43 GLU HA 1 51 GLN H 3.563 2.494 4.632 4.292 3.612 4.715 0.083 12 0 "[ . 1 . 2]" 2
50 1 50 ASP H 1 51 GLN H 3.848 2.694 5.002 3.831 2.600 4.594 0.094 19 0 "[ . 1 . 2]" 2
51 1 51 GLN H 1 51 GLN QB 2.816 . 3.661 3.010 2.430 3.449 . 0 0 "[ . 1 . 2]" 2
52 1 40 ALA HA 1 53 MET H 5.590 3.913 6.000 4.836 4.312 6.109 0.109 20 0 "[ . 1 . 2]" 2
53 1 55 ALA H 1 55 ALA HA 3.314 2.320 4.308 2.796 2.749 2.827 . 0 0 "[ . 1 . 2]" 2
54 1 55 ALA H 1 57 THR H 3.224 2.257 4.191 3.973 3.695 4.134 . 0 0 "[ . 1 . 2]" 2
55 1 55 ALA HA 1 57 THR H 3.014 2.110 3.918 4.040 3.992 4.084 0.166 9 0 "[ . 1 . 2]" 2
56 1 56 GLN H 1 57 THR H . 2.512 3.220 2.583 2.505 2.668 0.007 15 0 "[ . 1 . 2]" 2
57 1 56 GLN HG2 1 57 THR H 3.588 2.512 4.664 4.101 2.468 5.117 0.453 6 0 "[ . 1 . 2]" 2
58 1 57 THR H 1 58 VAL H . 2.449 3.137 2.437 2.379 2.522 0.070 3 0 "[ . 1 . 2]" 2
59 1 57 THR H 1 59 ALA H 2.888 2.570 4.772 3.747 3.656 3.859 . 0 0 "[ . 1 . 2]" 2
60 1 42 ALA MB 1 50 ASP HA 2.557 . 5.500 4.056 2.845 4.870 . 0 0 "[ . 1 . 2]" 2
61 1 57 THR MG 1 58 VAL H 3.048 2.133 3.963 3.644 3.345 3.773 . 0 0 "[ . 1 . 2]" 2
62 1 58 VAL H 1 59 ALA H 2.403 2.236 3.124 2.515 2.439 2.650 . 0 0 "[ . 1 . 2]" 2
63 1 59 ALA H 1 62 LYS H 3.598 2.519 4.677 4.775 4.754 4.828 0.151 6 0 "[ . 1 . 2]" 2
64 1 57 THR HA 1 60 VAL H 3.480 2.436 4.524 3.648 3.467 3.817 . 0 0 "[ . 1 . 2]" 2
65 1 58 VAL H 1 60 VAL H 3.193 2.235 4.151 4.267 4.236 4.313 0.162 6 0 "[ . 1 . 2]" 2
66 1 39 SER H 1 55 ALA H 3.111 2.178 4.544 4.493 4.124 4.629 0.085 20 0 "[ . 1 . 2]" 2
67 1 39 SER HA 1 58 VAL H 3.711 2.598 5.324 5.086 4.373 5.419 0.095 7 0 "[ . 1 . 2]" 2
68 1 54 SER HB2 1 56 GLN H 3.502 2.451 4.553 2.996 2.420 3.738 0.031 9 0 "[ . 1 . 2]" 2
69 1 60 VAL MG2 1 61 PHE H 3.259 2.281 4.237 3.547 3.411 3.649 . 0 0 "[ . 1 . 2]" 2
70 1 58 VAL HB 1 59 ALA H 3.187 2.231 4.143 3.113 2.933 3.421 . 0 0 "[ . 1 . 2]" 2
71 1 49 ALA HA 1 51 GLN HE22 3.365 2.356 4.374 4.261 2.953 4.539 0.165 11 0 "[ . 1 . 2]" 2
72 1 49 ALA HA 1 51 GLN HE21 3.334 2.334 4.334 3.641 2.307 4.593 0.259 16 0 "[ . 1 . 2]" 2
73 1 54 SER HB2 1 57 THR H 3.312 2.318 4.306 2.793 2.512 3.833 . 0 0 "[ . 1 . 2]" 2
74 1 59 ALA H 1 61 PHE H 3.145 2.202 4.088 3.750 3.592 3.873 . 0 0 "[ . 1 . 2]" 2
75 1 60 VAL H 1 61 PHE H 2.439 2.225 3.029 2.183 2.131 2.276 0.094 12 0 "[ . 1 . 2]" 2
76 1 60 VAL HA 1 61 PHE H 3.299 2.309 4.289 3.477 3.444 3.498 . 0 0 "[ . 1 . 2]" 2
77 1 60 VAL H 1 61 PHE HB2 3.445 2.411 4.479 4.323 4.247 4.448 . 0 0 "[ . 1 . 2]" 2
78 1 61 PHE H 1 61 PHE QD 2.877 2.014 3.740 2.872 2.493 3.360 . 0 0 "[ . 1 . 2]" 2
79 1 61 PHE QD 1 62 LYS H 3.428 2.400 4.956 4.834 4.668 4.919 . 0 0 "[ . 1 . 2]" 2
80 1 58 VAL HA 1 62 LYS H 3.233 2.263 4.203 3.669 3.295 4.041 . 0 0 "[ . 1 . 2]" 2
81 1 59 ALA MB 1 62 LYS H 3.813 2.669 4.957 4.976 4.754 5.123 0.166 9 0 "[ . 1 . 2]" 2
82 1 61 PHE HA 1 62 LYS H 3.629 2.540 4.718 3.117 3.045 3.228 . 0 0 "[ . 1 . 2]" 2
83 1 62 LYS H 1 62 LYS HD2 3.730 2.611 4.849 4.381 2.289 5.170 0.322 9 0 "[ . 1 . 2]" 2
84 1 62 LYS H 1 62 LYS HG2 3.413 2.429 4.437 3.134 1.990 4.524 0.439 1 0 "[ . 1 . 2]" 2
85 1 63 PRO HD2 1 64 GLU H 3.166 2.216 4.116 4.050 2.985 4.294 0.178 16 0 "[ . 1 . 2]" 2
86 1 30 LYS H 1 66 GLY H 3.273 2.291 5.500 5.141 4.590 5.511 0.011 13 0 "[ . 1 . 2]" 2
87 1 65 VAL HB 1 66 GLY H 3.412 2.388 4.436 3.840 3.107 4.394 . 0 0 "[ . 1 . 2]" 2
88 1 65 VAL H 1 66 GLY H 3.145 2.321 4.088 4.316 4.220 4.398 0.310 6 0 "[ . 1 . 2]" 2
89 1 66 GLY H 1 67 GLY H 2.463 2.422 3.202 2.372 2.287 2.506 0.135 14 0 "[ . 1 . 2]" 2
90 1 67 GLY H 1 68 TYR H 3.201 2.241 4.161 4.248 3.159 4.395 0.234 2 0 "[ . 1 . 2]" 2
91 1 27 LEU H 1 70 PHE QD 3.648 2.554 5.242 5.319 5.111 5.464 0.222 1 0 "[ . 1 . 2]" 2
92 1 24 VAL HA 1 71 ARG H 3.233 2.263 4.203 4.355 4.255 4.493 0.290 17 0 "[ . 1 . 2]" 2
93 1 27 LEU H 1 71 ARG H 2.741 . 5.500 4.602 4.265 5.436 . 0 0 "[ . 1 . 2]" 2
94 1 70 PHE H 1 71 ARG H 3.529 2.470 4.588 4.413 4.343 4.538 . 0 0 "[ . 1 . 2]" 2
95 1 25 SER H 1 72 SER HA 3.497 2.448 5.500 3.615 2.863 4.182 . 0 0 "[ . 1 . 2]" 2
96 1 72 SER H 1 73 GLN H 3.358 2.350 4.366 4.446 4.376 4.493 0.127 1 0 "[ . 1 . 2]" 2
97 1 72 SER HA 1 73 GLN H 3.101 2.171 4.031 2.514 2.316 2.740 . 0 0 "[ . 1 . 2]" 2
98 1 73 GLN H 1 73 GLN HB2 2.751 . 3.576 2.501 2.367 2.619 . 0 0 "[ . 1 . 2]" 2
99 1 73 GLN H 1 73 GLN HB3 3.231 2.262 4.200 3.585 3.551 3.613 . 0 0 "[ . 1 . 2]" 2
100 1 73 GLN H 1 74 TYR H 2.895 2.423 3.764 2.647 2.453 2.852 . 0 0 "[ . 1 . 2]" 2
101 1 74 TYR H 1 74 TYR QD 2.935 2.054 3.816 2.360 2.041 2.740 0.013 10 0 "[ . 1 . 2]" 2
102 1 74 TYR QD 1 75 GLY H 3.309 2.316 4.302 4.338 4.275 4.440 0.138 10 0 "[ . 1 . 2]" 2
103 1 74 TYR QB 1 75 GLY H 3.414 2.390 4.438 3.318 3.050 3.638 . 0 0 "[ . 1 . 2]" 2
104 1 72 SER H 1 76 GLU H 2.966 2.076 5.500 3.104 2.592 3.888 . 0 0 "[ . 1 . 2]" 2
105 1 76 GLU H 1 77 LEU H 3.449 2.414 4.484 4.395 4.238 4.534 0.050 13 0 "[ . 1 . 2]" 2
106 1 80 MET HA 1 81 SER H 2.554 . 2.958 2.331 2.113 2.611 . 0 0 "[ . 1 . 2]" 2
107 1 81 SER H 1 82 LYS H 3.637 2.676 4.728 4.424 3.000 4.663 . 0 0 "[ . 1 . 2]" 2
108 1 83 THR HA 1 84 ALA H 3.268 2.288 4.248 3.538 3.425 3.575 . 0 0 "[ . 1 . 2]" 2
109 1 84 ALA H 1 85 PHE HA 4.357 3.050 5.664 5.124 4.976 5.239 . 0 0 "[ . 1 . 2]" 2
110 1 85 PHE H 1 86 GLU H 2.496 . 3.245 2.741 2.431 3.074 . 0 0 "[ . 1 . 2]" 2
111 1 86 GLU H 1 88 ASN H 3.072 2.150 5.500 4.237 3.773 4.689 . 0 0 "[ . 1 . 2]" 2
112 1 85 PHE H 1 87 ALA H 3.449 2.414 4.484 4.072 3.745 4.550 0.066 6 0 "[ . 1 . 2]" 2
113 1 86 GLU H 1 87 ALA H 2.476 2.014 3.219 2.656 2.461 2.865 . 0 0 "[ . 1 . 2]" 2
114 1 87 ALA H 1 88 ASN H 2.361 . 3.069 2.344 2.039 2.706 . 0 0 "[ . 1 . 2]" 2
115 1 87 ALA H 1 89 TYR H 3.033 2.123 3.614 3.781 3.707 3.905 0.291 15 0 "[ . 1 . 2]" 2
116 1 84 ALA HA 1 88 ASN H 3.392 2.374 5.500 4.306 3.257 5.153 . 0 0 "[ . 1 . 2]" 2
117 1 88 ASN H 1 88 ASN HD21 2.907 2.035 3.779 2.854 2.283 3.786 0.007 20 0 "[ . 1 . 2]" 2
118 1 87 ALA MB 1 89 TYR H 3.308 2.316 4.800 4.540 4.173 4.887 0.087 15 0 "[ . 1 . 2]" 2
119 1 88 ASN H 1 89 TYR QE 3.228 2.260 4.196 4.278 4.109 4.519 0.323 3 0 "[ . 1 . 2]" 2
120 1 89 TYR QB 1 90 THR H 4.170 2.919 5.421 3.121 1.826 3.940 1.093 19 8 "[ -* *1 * .* *+*]" 2
121 1 91 SER H 1 92 ALA H 3.545 2.575 4.609 3.727 2.486 4.611 0.089 20 0 "[ . 1 . 2]" 2
122 1 91 SER H 1 92 ALA MB 3.729 2.610 4.848 4.706 4.278 5.122 0.274 18 0 "[ . 1 . 2]" 2
123 1 91 SER HB2 1 92 ALA H 2.906 2.034 3.778 3.524 2.191 3.938 0.160 4 0 "[ . 1 . 2]" 2
124 1 95 SER QB 1 96 VAL H 3.066 2.146 3.986 3.334 2.425 3.844 . 0 0 "[ . 1 . 2]" 2
125 1 96 VAL H 1 96 VAL HA 3.220 2.681 4.186 2.617 2.325 2.945 0.356 13 0 "[ . 1 . 2]" 2
126 1 96 VAL QG 1 97 ALA H 3.316 2.321 4.311 2.967 2.520 3.752 . 0 0 "[ . 1 . 2]" 2
127 1 95 SER HA 1 97 ALA H 3.585 2.510 4.660 4.384 3.577 4.718 0.058 12 0 "[ . 1 . 2]" 2
128 1 96 VAL QG 1 98 ASN H 3.555 2.489 4.621 4.076 3.520 4.425 . 0 0 "[ . 1 . 2]" 2
129 1 103 ASP H 1 103 ASP HA 3.338 2.336 4.340 2.877 2.789 2.940 . 0 0 "[ . 1 . 2]" 2
130 1 107 THR MG 1 108 ALA H 4.380 3.066 5.694 3.757 2.993 4.385 0.073 2 0 "[ . 1 . 2]" 2
131 1 109 ARG H 1 109 ARG HA 3.512 2.458 4.566 2.799 2.288 2.951 0.170 16 0 "[ . 1 . 2]" 2
132 1 109 ARG H 1 110 THR MG 3.315 2.320 4.310 4.077 3.161 4.454 0.144 6 0 "[ . 1 . 2]" 2
133 1 106 SER HA 1 111 ILE H 3.588 2.511 4.665 3.811 2.430 4.763 0.098 4 0 "[ . 1 . 2]" 2
134 1 111 ILE H 1 111 ILE HA 3.550 2.485 4.615 2.753 2.287 2.951 0.198 3 0 "[ . 1 . 2]" 2
135 1 110 THR HB 1 112 THR H 3.348 2.343 4.353 3.944 3.052 4.534 0.181 4 0 "[ . 1 . 2]" 2
136 1 113 LEU MD2 1 114 THR H 3.458 2.421 4.495 4.123 3.256 4.559 0.064 9 0 "[ . 1 . 2]" 2
137 1 113 LEU HB2 1 114 THR H 3.208 2.246 4.170 3.781 1.866 4.574 0.404 17 0 "[ . 1 . 2]" 2
138 1 114 THR H 1 114 THR HA 3.289 2.302 4.276 2.839 2.255 2.946 0.047 20 0 "[ . 1 . 2]" 2
139 1 113 LEU QD 1 117 VAL H 3.162 2.213 4.111 3.641 2.289 4.160 0.049 9 0 "[ . 1 . 2]" 2
140 1 117 VAL H 1 117 VAL HA 3.557 2.490 4.624 2.649 2.299 2.935 0.191 13 0 "[ . 1 . 2]" 2
141 1 117 VAL HB 1 120 SER H 3.278 2.295 4.261 3.463 2.646 4.268 0.007 17 0 "[ . 1 . 2]" 2
142 1 117 VAL HA 1 119 GLY H 3.403 2.382 4.424 4.247 3.722 4.594 0.170 14 0 "[ . 1 . 2]" 2
143 1 118 THR HA 1 119 GLY H 3.781 2.647 4.162 3.095 2.564 3.566 0.083 12 0 "[ . 1 . 2]" 2
144 1 117 VAL QG 1 120 SER H 2.653 . 3.449 3.124 2.096 3.547 0.098 19 0 "[ . 1 . 2]" 2
145 1 119 GLY QA 1 120 SER H 3.250 2.275 4.225 2.574 2.176 2.967 0.099 17 0 "[ . 1 . 2]" 2
146 1 120 SER H 1 120 SER QB 2.580 . 3.255 2.582 2.241 2.876 . 0 0 "[ . 1 . 2]" 2
147 1 116 ALA MB 1 121 ALA H 3.832 2.682 4.982 4.388 2.787 5.014 0.032 7 0 "[ . 1 . 2]" 2
148 1 117 VAL HB 1 121 ALA H 3.555 2.489 4.621 3.454 2.481 4.662 0.041 10 0 "[ . 1 . 2]" 2
149 1 120 SER QB 1 121 ALA H 4.927 3.449 6.000 3.193 2.081 4.026 1.368 6 8 "[* .+ * 1* *** - 2]" 2
150 1 121 ALA H 1 121 ALA HA 2.518 . 3.273 2.559 2.258 2.925 . 0 0 "[ . 1 . 2]" 2
151 1 122 SER H 1 122 SER HB2 3.514 2.460 4.568 3.146 2.500 4.024 . 0 0 "[ . 1 . 2]" 2
152 1 123 PHE HA 1 124 ASP H 3.222 2.255 4.189 3.048 2.176 3.566 0.079 11 0 "[ . 1 . 2]" 2
153 1 124 ASP H 1 125 GLY QA 3.285 2.299 4.271 4.161 3.440 4.450 0.179 20 0 "[ . 1 . 2]" 2
154 1 127 ALA H 1 127 ALA HA 2.917 2.042 3.792 2.736 2.251 2.952 . 0 0 "[ . 1 . 2]" 2
155 1 129 VAL MG1 1 131 ILE H 3.210 2.247 4.173 3.618 1.655 4.308 0.592 9 1 "[ . +1 . 2]" 2
156 1 134 THR H 1 134 THR HB 2.912 2.038 3.786 3.619 3.534 3.952 0.166 18 0 "[ . 1 . 2]" 2
157 1 134 THR H 1 134 THR MG 3.340 2.338 4.342 2.621 2.335 3.042 0.003 14 0 "[ . 1 . 2]" 2
158 1 134 THR HB 1 135 SER H 3.355 2.349 4.361 3.733 2.733 4.334 . 0 0 "[ . 1 . 2]" 2
159 1 135 SER H 1 136 GLY HA2 2.897 2.028 3.766 4.080 3.769 4.586 0.820 1 7 "[+ . ** 1- * * *]" 2
160 1 136 GLY HA2 1 137 SER H 2.892 2.024 3.760 2.869 2.118 3.566 . 0 0 "[ . 1 . 2]" 2
161 1 137 SER H 1 137 SER HB2 2.156 . 2.803 2.882 2.557 3.151 0.348 7 0 "[ . 1 . 2]" 2
162 1 137 SER H 1 137 SER HB3 2.376 . 3.089 2.761 2.573 3.416 0.327 13 0 "[ . 1 . 2]" 2
163 1 5 ALA H 1 5 ALA HA 2.738 . 3.559 2.808 2.262 2.947 . 0 0 "[ . 1 . 2]" 2
164 1 5 ALA H 1 5 ALA MB 2.356 . 3.063 2.429 2.251 2.881 . 0 0 "[ . 1 . 2]" 2
165 1 5 ALA MB 1 6 ASN HD21 3.368 2.357 4.379 4.219 3.231 4.969 0.590 13 3 "[ - * 1 + . 2]" 2
166 1 5 ALA HA 1 6 ASN H 2.253 . 3.329 3.094 2.492 3.523 0.194 6 0 "[ . 1 . 2]" 2
167 1 5 ALA MB 1 6 ASN H 2.918 2.043 3.793 3.116 2.040 3.719 0.003 5 0 "[ . 1 . 2]" 2
168 1 6 ASN H 1 6 ASN HA 3.186 2.230 4.142 2.904 2.771 2.944 . 0 0 "[ . 1 . 2]" 2
169 1 6 ASN H 1 6 ASN HB2 2.717 . 3.532 2.804 2.355 3.724 0.192 4 0 "[ . 1 . 2]" 2
170 1 6 ASN H 1 6 ASN HB3 2.727 . 3.545 3.399 2.768 3.709 0.164 19 0 "[ . 1 . 2]" 2
171 1 6 ASN HB3 1 6 ASN HD21 3.153 2.207 4.099 3.035 2.196 3.504 0.011 8 0 "[ . 1 . 2]" 2
172 1 6 ASN HB2 1 6 ASN HD21 3.470 2.429 4.511 2.906 2.193 3.513 0.236 10 0 "[ . 1 . 2]" 2
173 1 6 ASN HB2 1 6 ASN HD22 3.508 2.456 4.560 3.787 3.459 4.071 . 0 0 "[ . 1 . 2]" 2
174 1 7 PRO HA 1 8 ASN H 2.729 . 3.548 3.275 2.665 3.585 0.037 5 0 "[ . 1 . 2]" 2
175 1 7 PRO HB3 1 8 ASN H 3.685 2.579 4.791 4.302 3.627 4.662 . 0 0 "[ . 1 . 2]" 2
176 1 8 ASN H 1 8 ASN HA 3.208 2.246 4.170 2.743 2.228 2.953 0.018 16 0 "[ . 1 . 2]" 2
177 1 8 ASN H 1 8 ASN HB3 2.786 . 3.622 3.771 3.565 4.080 0.458 16 0 "[ . 1 . 2]" 2
178 1 8 ASN H 1 8 ASN HB2 2.907 2.035 3.779 2.780 2.289 3.549 . 0 0 "[ . 1 . 2]" 2
179 1 8 ASN HB3 1 8 ASN HD21 3.024 2.117 3.931 2.684 2.220 3.493 . 0 0 "[ . 1 . 2]" 2
180 1 8 ASN HB2 1 8 ASN HD22 3.563 2.494 4.632 3.766 3.471 4.079 . 0 0 "[ . 1 . 2]" 2
181 1 9 PHE HA 1 10 THR H 2.691 . 3.498 2.692 2.095 3.560 0.062 2 0 "[ . 1 . 2]" 2
182 1 10 THR H 1 10 THR HA 3.301 2.311 4.291 2.819 2.265 2.947 0.046 2 0 "[ . 1 . 2]" 2
183 1 10 THR H 1 10 THR MG 3.093 2.165 4.021 3.332 2.301 4.050 0.029 2 0 "[ . 1 . 2]" 2
184 1 11 PRO HA 1 12 SER H 2.659 . 3.457 2.599 2.144 3.443 . 0 0 "[ . 1 . 2]" 2
185 1 12 SER H 1 12 SER HA 3.253 2.277 4.229 2.868 2.787 2.947 . 0 0 "[ . 1 . 2]" 2
186 1 12 SER H 1 12 SER HB2 2.958 2.071 3.845 2.691 2.516 3.613 . 0 0 "[ . 1 . 2]" 2
187 1 13 TRP H 1 13 TRP HA 3.153 2.207 4.099 2.871 2.804 2.952 . 0 0 "[ . 1 . 2]" 2
188 1 13 TRP H 1 13 TRP HE3 3.298 2.309 4.287 2.650 2.315 2.976 . 0 0 "[ . 1 . 2]" 2
189 1 13 TRP H 1 13 TRP HB3 2.720 . 3.536 3.523 2.918 3.750 0.214 19 0 "[ . 1 . 2]" 2
190 1 14 PRO HA 1 15 LEU H 2.518 . 3.273 2.230 2.169 2.577 . 0 0 "[ . 1 . 2]" 2
191 1 15 LEU H 1 15 LEU HA 3.323 2.326 4.320 2.912 2.821 2.948 . 0 0 "[ . 1 . 2]" 2
192 1 15 LEU HB2 1 16 TYR H 3.386 2.370 4.402 3.766 3.000 4.467 0.065 3 0 "[ . 1 . 2]" 2
193 1 15 LEU QD 1 16 TYR H . 3.309 4.734 3.392 2.234 3.770 1.075 13 1 "[ . 1 + . 2]" 2
194 1 15 LEU HA 1 16 TYR H 2.786 . 3.622 2.410 2.140 2.738 . 0 0 "[ . 1 . 2]" 2
195 1 16 TYR H 1 16 TYR HA 3.323 2.326 4.320 2.928 2.915 2.943 . 0 0 "[ . 1 . 2]" 2
196 1 16 TYR H 1 16 TYR HB2 3.899 2.729 5.069 2.597 2.398 2.782 0.331 17 0 "[ . 1 . 2]" 2
197 1 16 TYR HA 1 17 LYS H 2.810 . 3.653 2.581 2.180 3.094 . 0 0 "[ . 1 . 2]" 2
198 1 17 LYS H 1 17 LYS QB 2.926 2.048 3.804 2.753 2.393 3.335 . 0 0 "[ . 1 . 2]" 2
199 1 17 LYS HA 1 18 ASP H 2.726 . 3.544 2.227 2.077 2.620 . 0 0 "[ . 1 . 2]" 2
200 1 17 LYS QB 1 18 ASP H 2.877 2.014 3.740 2.825 1.801 3.574 0.213 6 0 "[ . 1 . 2]" 2
201 1 18 ASP H 1 18 ASP HA 3.425 2.397 4.453 2.867 2.673 2.930 . 0 0 "[ . 1 . 2]" 2
202 1 18 ASP HA 1 19 ALA H 2.932 2.053 3.811 2.842 2.063 3.231 . 0 0 "[ . 1 . 2]" 2
203 1 19 ALA H 1 19 ALA MB 2.525 . 3.283 2.258 2.227 2.363 . 0 0 "[ . 1 . 2]" 2
204 1 19 ALA H 1 19 ALA HA 3.320 2.324 4.316 2.854 2.795 2.940 . 0 0 "[ . 1 . 2]" 2
205 1 19 ALA H 1 20 ASP H 3.329 2.496 3.836 2.673 2.319 2.906 0.177 17 0 "[ . 1 . 2]" 2
206 1 19 ALA HA 1 20 ASP H 3.190 2.233 4.147 3.589 3.558 3.618 . 0 0 "[ . 1 . 2]" 2
207 1 19 ALA MB 1 20 ASP H 2.880 2.016 3.744 2.513 2.219 2.730 . 0 0 "[ . 1 . 2]" 2
208 1 20 ASP H 1 20 ASP HA 2.759 . 3.587 2.937 2.909 2.952 . 0 0 "[ . 1 . 2]" 2
209 1 20 ASP H 1 20 ASP HB3 2.781 . 3.615 2.846 2.660 3.024 . 0 0 "[ . 1 . 2]" 2
210 1 20 ASP HA 1 21 GLY H 3.303 2.312 4.294 3.341 3.217 3.403 . 0 0 "[ . 1 . 2]" 2
211 1 20 ASP HB3 1 21 GLY H 3.253 2.277 4.229 4.240 4.108 4.384 0.155 3 0 "[ . 1 . 2]" 2
212 1 21 GLY H 1 21 GLY HA2 2.890 2.023 3.757 2.510 2.422 2.536 . 0 0 "[ . 1 . 2]" 2
213 1 21 GLY H 1 21 GLY HA3 2.736 . 3.557 2.951 2.931 2.960 . 0 0 "[ . 1 . 2]" 2
214 1 20 ASP HB2 1 22 VAL H 3.911 2.738 5.584 5.309 5.034 5.682 0.098 17 0 "[ . 1 . 2]" 2
215 1 21 GLY HA3 1 22 VAL H 3.400 2.380 4.420 3.420 3.318 3.514 . 0 0 "[ . 1 . 2]" 2
216 1 22 VAL H 1 22 VAL HB 2.790 . 3.627 2.416 2.358 2.694 . 0 0 "[ . 1 . 2]" 2
217 1 23 TYR HB2 1 24 VAL H 2.871 2.010 3.732 3.548 2.201 4.137 0.405 3 0 "[ . 1 . 2]" 2
218 1 23 TYR HA 1 24 VAL H 2.997 2.098 3.896 2.196 2.059 2.550 0.039 8 0 "[ . 1 . 2]" 2
219 1 25 SER H 1 25 SER HA 3.241 2.269 4.213 2.896 2.851 2.944 . 0 0 "[ . 1 . 2]" 2
220 1 25 SER H 1 25 SER HB3 3.409 2.386 4.432 3.198 2.493 3.706 . 0 0 "[ . 1 . 2]" 2
221 1 25 SER H 1 25 SER HB2 2.883 2.018 3.748 2.734 2.488 3.610 . 0 0 "[ . 1 . 2]" 2
222 1 25 SER HB2 1 26 ALA H 2.935 2.054 3.816 3.745 2.485 4.088 0.272 1 0 "[ . 1 . 2]" 2
223 1 25 SER HB3 1 26 ALA H 2.679 . 3.983 3.330 2.518 3.876 . 0 0 "[ . 1 . 2]" 2
224 1 25 SER H 1 26 ALA H 3.902 2.732 5.072 4.565 4.446 4.626 . 0 0 "[ . 1 . 2]" 2
225 1 15 LEU QD 1 26 ALA H 2.925 2.047 3.803 2.471 1.701 3.533 0.346 9 0 "[ . 1 . 2]" 2
226 1 26 ALA H 1 26 ALA HA 3.306 2.314 4.298 2.930 2.921 2.938 . 0 0 "[ . 1 . 2]" 2
227 1 26 ALA H 1 26 ALA MB 3.036 2.125 3.947 2.399 2.363 2.501 . 0 0 "[ . 1 . 2]" 2
228 1 26 ALA HA 1 27 LEU H 2.598 . 3.377 2.081 2.040 2.159 . 0 0 "[ . 1 . 2]" 2
229 1 26 ALA MB 1 27 LEU H 2.927 2.049 3.805 3.130 2.884 3.267 . 0 0 "[ . 1 . 2]" 2
230 1 29 ILE MG 1 30 LYS H 3.286 2.300 4.772 3.142 2.846 3.470 . 0 0 "[ . 1 . 2]" 2
231 1 30 LYS H 1 30 LYS QG 3.046 2.132 3.960 3.665 1.983 4.037 0.149 16 0 "[ . 1 . 2]" 2
232 1 30 LYS HA 1 31 ALA H 2.718 . 3.533 3.555 3.508 3.574 0.041 2 0 "[ . 1 . 2]" 2
233 1 30 LYS QG 1 31 ALA H 2.760 . 3.588 3.258 2.549 3.797 0.209 12 0 "[ . 1 . 2]" 2
234 1 31 ALA H 1 32 ILE HG12 2.777 . 5.507 5.262 4.921 5.518 0.011 12 0 "[ . 1 . 2]" 2
235 1 32 ILE H 1 32 ILE MG 3.153 2.207 4.099 3.859 3.767 3.915 . 0 0 "[ . 1 . 2]" 2
236 1 32 ILE H 1 42 ALA MB 3.604 2.523 5.700 5.665 5.204 5.819 0.119 10 0 "[ . 1 . 2]" 2
237 1 32 ILE HA 1 33 LYS H 2.559 . 3.327 2.179 2.077 2.314 . 0 0 "[ . 1 . 2]" 2
238 1 33 LYS H 1 33 LYS HB2 2.929 2.050 3.808 2.939 2.434 3.856 0.048 3 0 "[ . 1 . 2]" 2
239 1 33 LYS HA 1 34 TYR H 2.441 . 3.173 2.147 2.094 2.255 . 0 0 "[ . 1 . 2]" 2
240 1 33 LYS HB2 1 34 TYR H 3.317 2.322 4.312 4.189 2.639 4.539 0.227 1 0 "[ . 1 . 2]" 2
241 1 33 LYS QE 1 34 TYR H 3.156 2.209 4.103 3.776 3.024 4.134 0.031 19 0 "[ . 1 . 2]" 2
242 1 34 TYR H 1 34 TYR HB2 2.784 . 3.619 2.444 2.359 2.550 . 0 0 "[ . 1 . 2]" 2
243 1 34 TYR H 1 34 TYR QD 3.019 2.113 3.925 2.537 2.180 2.879 . 0 0 "[ . 1 . 2]" 2
244 1 34 TYR HA 1 35 ALA H 2.517 . 3.272 2.123 2.089 2.162 . 0 0 "[ . 1 . 2]" 2
245 1 34 TYR QD 1 35 ALA H 3.551 2.486 4.616 4.279 3.921 4.579 . 0 0 "[ . 1 . 2]" 2
246 1 35 ALA H 1 35 ALA MB 2.838 . 3.689 2.268 2.223 2.378 . 0 0 "[ . 1 . 2]" 2
247 1 35 ALA H 1 35 ALA HA 2.970 2.079 3.861 2.877 2.845 2.927 . 0 0 "[ . 1 . 2]" 2
248 1 35 ALA HA 1 36 ASN H 2.419 . 3.145 2.356 2.121 2.810 . 0 0 "[ . 1 . 2]" 2
249 1 35 ALA MB 1 36 ASN H 2.616 . 3.401 2.361 1.808 2.970 0.023 8 0 "[ . 1 . 2]" 2
250 1 36 ASN H 1 36 ASN HB3 2.521 . 3.277 2.668 2.432 3.633 0.356 17 0 "[ . 1 . 2]" 2
251 1 36 ASN HB3 1 36 ASN QD 2.900 2.222 3.770 2.625 2.186 3.296 0.036 6 0 "[ . 1 . 2]" 2
252 1 36 ASN HA 1 36 ASN QD 3.392 2.374 4.410 3.906 3.492 4.013 . 0 0 "[ . 1 . 2]" 2
253 1 36 ASN H 1 37 ASP H . 2.508 3.106 2.638 2.480 2.783 0.028 13 0 "[ . 1 . 2]" 2
254 1 36 ASN HA 1 37 ASP H 3.112 2.178 4.046 3.427 3.349 3.548 . 0 0 "[ . 1 . 2]" 2
255 1 36 ASN HB2 1 37 ASP H 3.411 2.388 4.434 3.982 2.483 4.262 . 0 0 "[ . 1 . 2]" 2
256 1 36 ASN HB3 1 37 ASP H 3.313 2.319 4.307 4.137 3.272 4.338 0.031 13 0 "[ . 1 . 2]" 2
257 1 37 ASP H 1 37 ASP HB3 2.954 2.068 3.840 2.635 2.470 2.784 . 0 0 "[ . 1 . 2]" 2
258 1 35 ALA MB 1 38 GLY H 3.232 2.263 4.201 3.216 2.902 3.770 . 0 0 "[ . 1 . 2]" 2
259 1 37 ASP HA 1 38 GLY H 3.173 2.221 4.125 3.387 3.071 3.486 . 0 0 "[ . 1 . 2]" 2
260 1 37 ASP HB3 1 38 GLY H 3.828 2.679 4.977 4.149 4.008 4.484 . 0 0 "[ . 1 . 2]" 2
261 1 38 GLY H 1 38 GLY HA2 2.734 . 3.554 2.480 2.322 2.550 . 0 0 "[ . 1 . 2]" 2
262 1 38 GLY H 1 38 GLY HA3 2.642 . 3.435 2.949 2.888 2.956 . 0 0 "[ . 1 . 2]" 2
263 1 39 SER H 1 39 SER HA 3.255 2.279 4.231 2.834 2.788 2.868 . 0 0 "[ . 1 . 2]" 2
264 1 33 LYS HA 1 41 ASN H 3.609 2.526 6.040 4.693 4.437 4.964 . 0 0 "[ . 1 . 2]" 2
265 1 34 TYR HA 1 41 ASN H 3.434 2.404 4.464 3.857 3.428 4.298 . 0 0 "[ . 1 . 2]" 2
266 1 40 ALA HA 1 41 ASN H 2.625 . 3.413 2.228 2.104 2.747 . 0 0 "[ . 1 . 2]" 2
267 1 41 ASN H 1 41 ASN QB 3.103 2.172 3.595 2.580 2.250 3.371 . 0 0 "[ . 1 . 2]" 2
268 1 41 ASN QB 1 41 ASN HD22 3.400 2.380 4.420 3.296 3.204 3.476 . 0 0 "[ . 1 . 2]" 2
269 1 41 ASN HA 1 42 ALA H 2.657 . 3.454 2.172 2.117 2.281 . 0 0 "[ . 1 . 2]" 2
270 1 41 ASN H 1 42 ALA H 3.581 2.507 4.655 4.378 4.095 4.609 . 0 0 "[ . 1 . 2]" 2
271 1 41 ASN QB 1 42 ALA H 3.241 2.269 4.213 3.384 2.733 3.841 . 0 0 "[ . 1 . 2]" 2
272 1 42 ALA H 1 42 ALA MB 2.901 2.031 3.771 2.387 2.263 2.589 . 0 0 "[ . 1 . 2]" 2
273 1 42 ALA H 1 52 TYR HA 3.494 2.446 4.542 3.654 2.727 4.715 0.173 11 0 "[ . 1 . 2]" 2
274 1 42 ALA HA 1 43 GLU H 2.967 2.077 3.857 2.200 2.082 2.456 . 0 0 "[ . 1 . 2]" 2
275 1 42 ALA MB 1 43 GLU H 3.436 2.405 4.467 2.929 2.308 3.553 0.097 19 0 "[ . 1 . 2]" 2
276 1 44 PHE H 1 44 PHE HB3 3.460 2.422 4.498 3.644 3.353 3.743 . 0 0 "[ . 1 . 2]" 2
277 1 44 PHE H 1 44 PHE HB2 3.135 2.194 4.076 2.459 2.089 2.607 0.105 16 0 "[ . 1 . 2]" 2
278 1 44 PHE H 1 44 PHE QD 3.440 2.408 4.472 3.017 2.454 3.554 . 0 0 "[ . 1 . 2]" 2
279 1 44 PHE H 1 44 PHE HA 2.611 . 3.394 2.907 2.740 2.950 . 0 0 "[ . 1 . 2]" 2
280 1 44 PHE HB3 1 45 ASP H 3.222 2.255 4.189 2.652 2.078 3.230 0.177 6 0 "[ . 1 . 2]" 2
281 1 44 PHE HB2 1 45 ASP H 3.256 2.279 4.233 3.824 3.136 4.296 0.063 8 0 "[ . 1 . 2]" 2
282 1 44 PHE HB2 1 46 GLY H 3.337 2.336 5.500 4.751 3.329 6.463 0.963 4 2 "[ +. 1 . - 2]" 2
283 1 45 ASP H 1 45 ASP HA 2.918 2.043 3.793 2.851 2.252 2.954 . 0 0 "[ . 1 . 2]" 2
284 1 45 ASP H 1 45 ASP HB2 3.399 2.379 4.419 2.881 2.367 3.810 0.012 14 0 "[ . 1 . 2]" 2
285 1 45 ASP HB2 1 46 GLY H 3.042 2.129 3.955 3.837 2.118 4.538 0.583 3 2 "[ + . 1- . 2]" 2
286 1 28 PRO HD2 1 46 GLY H 3.458 2.421 4.995 4.809 2.519 5.227 0.232 8 0 "[ . 1 . 2]" 2
287 1 45 ASP HA 1 46 GLY H 2.520 . 3.276 2.875 2.077 3.521 0.245 6 0 "[ . 1 . 2]" 2
288 1 46 GLY H 1 46 GLY HA2 2.823 . 3.670 2.695 2.346 2.953 . 0 0 "[ . 1 . 2]" 2
289 1 46 GLY H 1 46 GLY HA3 2.816 . 3.661 2.681 2.308 2.946 . 0 0 "[ . 1 . 2]" 2
290 1 47 PRO HA 1 48 TYR H 2.810 . 4.153 2.886 2.492 3.506 . 0 0 "[ . 1 . 2]" 2
291 1 48 TYR H 1 48 TYR HB2 3.044 2.131 3.957 2.630 2.256 2.801 . 0 0 "[ . 1 . 2]" 2
292 1 48 TYR H 1 48 TYR QD 3.228 2.260 4.196 3.016 2.257 3.421 0.003 19 0 "[ . 1 . 2]" 2
293 1 48 TYR HA 1 49 ALA H 2.673 . 3.475 2.497 2.116 2.692 . 0 0 "[ . 1 . 2]" 2
294 1 49 ALA H 1 49 ALA HA 3.208 2.246 4.170 2.843 2.658 2.951 . 0 0 "[ . 1 . 2]" 2
295 1 49 ALA H 1 49 ALA MB 2.567 . 3.337 2.282 2.189 2.438 . 0 0 "[ . 1 . 2]" 2
296 1 49 ALA HA 1 50 ASP H 2.458 . 3.195 2.474 2.086 2.808 . 0 0 "[ . 1 . 2]" 2
297 1 49 ALA MB 1 50 ASP H 2.732 . 3.551 2.357 1.848 3.281 0.065 2 0 "[ . 1 . 2]" 2
298 1 50 ASP H 1 50 ASP HA 3.293 2.305 4.281 2.860 2.314 2.944 . 0 0 "[ . 1 . 2]" 2
299 1 50 ASP H 1 50 ASP QB 2.744 . 3.567 2.801 2.233 3.363 . 0 0 "[ . 1 . 2]" 2
300 1 42 ALA MB 1 51 GLN H 3.224 2.257 4.191 3.196 2.249 3.904 0.008 2 0 "[ . 1 . 2]" 2
301 1 50 ASP HA 1 51 GLN H 2.961 2.073 3.849 2.372 2.095 3.544 . 0 0 "[ . 1 . 2]" 2
302 1 51 GLN H 1 51 GLN HG2 3.239 2.267 4.211 3.710 2.166 4.915 0.704 7 3 "[ . + 1 . * -]" 2
303 1 51 GLN HE22 1 51 GLN HG2 3.440 2.408 4.472 3.720 3.462 4.054 . 0 0 "[ . 1 . 2]" 2
304 1 51 GLN HA 1 51 GLN HE22 4.403 3.082 5.724 5.477 4.334 6.552 0.828 5 1 "[ + 1 . 2]" 2
305 1 52 TYR H 1 52 TYR HB2 2.981 2.087 3.875 3.168 2.327 3.733 . 0 0 "[ . 1 . 2]" 2
306 1 52 TYR HA 1 53 MET H 3.127 2.189 4.065 2.284 2.109 2.994 0.080 3 0 "[ . 1 . 2]" 2
307 1 53 MET HA 1 54 SER H 2.661 . 3.459 2.419 2.123 3.565 0.106 11 0 "[ . 1 . 2]" 2
308 1 54 SER H 1 54 SER HA 3.456 2.419 4.493 2.786 2.698 2.933 . 0 0 "[ . 1 . 2]" 2
309 1 54 SER H 1 54 SER HB3 2.689 . 3.496 2.954 2.086 3.314 . 0 0 "[ . 1 . 2]" 2
310 1 54 SER HB2 1 55 ALA H 2.853 . 3.709 3.045 2.630 3.760 0.051 20 0 "[ . 1 . 2]" 2
311 1 42 ALA HA 1 51 GLN H 3.428 2.400 4.456 4.646 4.285 4.853 0.397 4 0 "[ . 1 . 2]" 2
312 1 54 SER HB2 1 58 VAL H 3.437 2.406 4.468 4.562 4.242 5.303 0.835 6 1 "[ .+ 1 . 2]" 2
313 1 54 SER HA 1 55 ALA H 3.099 2.169 4.029 2.229 2.129 2.446 0.040 20 0 "[ . 1 . 2]" 2
314 1 55 ALA H 1 55 ALA MB 2.614 . 3.398 2.224 2.208 2.257 . 0 0 "[ . 1 . 2]" 2
315 1 55 ALA H 1 56 GLN H . 2.383 3.271 2.718 2.542 3.016 . 0 0 "[ . 1 . 2]" 2
316 1 55 ALA MB 1 56 GLN H 2.780 . 3.614 2.567 2.208 2.871 . 0 0 "[ . 1 . 2]" 2
317 1 56 GLN H 1 56 GLN HA 2.845 . 3.699 2.811 2.765 2.838 . 0 0 "[ . 1 . 2]" 2
318 1 56 GLN H 1 56 GLN HB2 2.680 . 3.484 2.823 2.352 3.620 0.136 1 0 "[ . 1 . 2]" 2
319 1 56 GLN H 1 56 GLN HG2 3.127 2.189 4.065 3.101 1.911 4.465 0.400 17 0 "[ . 1 . 2]" 2
320 1 56 GLN HE21 1 56 GLN HG2 3.238 2.266 4.210 2.729 2.224 3.490 0.042 17 0 "[ . 1 . 2]" 2
321 1 56 GLN HB2 1 57 THR H 3.340 2.338 4.342 3.181 2.438 4.028 . 0 0 "[ . 1 . 2]" 2
322 1 57 THR H 1 57 THR HB 2.758 . 3.585 2.594 2.510 2.683 . 0 0 "[ . 1 . 2]" 2
323 1 57 THR H 1 57 THR MG 3.420 2.394 4.446 3.766 3.749 3.780 . 0 0 "[ . 1 . 2]" 2
324 1 57 THR HA 1 58 VAL H 3.739 2.617 4.861 3.514 3.491 3.525 . 0 0 "[ . 1 . 2]" 2
325 1 58 VAL H 1 58 VAL HA 3.408 2.386 4.430 2.845 2.825 2.876 . 0 0 "[ . 1 . 2]" 2
326 1 58 VAL H 1 58 VAL HB 2.777 . 3.610 2.410 2.360 2.496 . 0 0 "[ . 1 . 2]" 2
327 1 58 VAL H 1 58 VAL MG2 2.791 . 3.628 2.283 2.165 2.410 . 0 0 "[ . 1 . 2]" 2
328 1 58 VAL MG2 1 59 ALA H 3.079 2.155 4.479 4.060 3.989 4.123 . 0 0 "[ . 1 . 2]" 2
329 1 59 ALA H 1 59 ALA HA 2.724 . 3.541 2.830 2.795 2.876 . 0 0 "[ . 1 . 2]" 2
330 1 59 ALA H 1 59 ALA MB 2.487 . 3.233 2.251 2.231 2.284 . 0 0 "[ . 1 . 2]" 2
331 1 58 VAL HA 1 60 VAL H 3.105 2.174 4.036 4.089 4.041 4.133 0.097 12 0 "[ . 1 . 2]" 2
332 1 59 ALA HA 1 60 VAL H 3.350 2.345 4.355 3.508 3.491 3.527 . 0 0 "[ . 1 . 2]" 2
333 1 59 ALA MB 1 60 VAL H 3.106 2.174 4.038 2.689 2.588 2.808 . 0 0 "[ . 1 . 2]" 2
334 1 59 ALA H 1 60 VAL H 3.059 2.221 3.977 2.547 2.360 2.666 . 0 0 "[ . 1 . 2]" 2
335 1 59 ALA H 1 60 VAL MG2 3.070 2.149 3.991 3.772 3.609 3.971 . 0 0 "[ . 1 . 2]" 2
336 1 60 VAL H 1 60 VAL HA 3.133 2.193 4.073 2.938 2.916 2.954 . 0 0 "[ . 1 . 2]" 2
337 1 60 VAL H 1 60 VAL HB 2.816 . 3.661 2.852 2.778 2.939 . 0 0 "[ . 1 . 2]" 2
338 1 60 VAL H 1 60 VAL MG2 2.838 . 3.689 2.033 1.959 2.123 0.028 16 0 "[ . 1 . 2]" 2
339 1 60 VAL H 1 60 VAL MG1 3.363 2.354 4.372 3.849 3.818 3.875 . 0 0 "[ . 1 . 2]" 2
340 1 59 ALA HA 1 61 PHE H 3.344 2.341 4.347 4.466 4.435 4.505 0.158 17 0 "[ . 1 . 2]" 2
341 1 60 VAL HB 1 61 PHE H 2.980 2.086 3.874 2.954 2.802 3.142 . 0 0 "[ . 1 . 2]" 2
342 1 61 PHE H 1 61 PHE HB2 2.852 . 3.708 2.454 2.317 2.566 . 0 0 "[ . 1 . 2]" 2
343 1 61 PHE HB2 1 62 LYS H 3.345 2.341 4.349 3.866 3.712 3.968 . 0 0 "[ . 1 . 2]" 2
344 1 61 PHE HB3 1 62 LYS H 3.273 2.291 4.255 4.317 4.228 4.388 0.133 6 0 "[ . 1 . 2]" 2
345 1 59 ALA HA 1 62 LYS H 4.159 2.911 5.407 4.098 3.855 4.336 . 0 0 "[ . 1 . 2]" 2
346 1 62 LYS H 1 62 LYS HA 2.922 2.046 3.798 2.768 2.710 2.876 . 0 0 "[ . 1 . 2]" 2
347 1 62 LYS H 1 62 LYS HG3 2.951 2.066 4.336 3.632 1.926 4.516 0.180 19 0 "[ . 1 . 2]" 2
348 1 62 LYS H 1 62 LYS HB2 3.214 2.250 4.178 3.228 2.374 3.638 . 0 0 "[ . 1 . 2]" 2
349 1 63 PRO HA 1 64 GLU H 2.658 . 3.455 2.934 2.681 3.419 . 0 0 "[ . 1 . 2]" 2
350 1 64 GLU H 1 64 GLU HA 3.193 2.235 4.151 2.914 2.877 2.937 . 0 0 "[ . 1 . 2]" 2
351 1 64 GLU H 1 64 GLU HG2 3.403 2.382 4.424 4.039 3.489 4.461 0.037 18 0 "[ . 1 . 2]" 2
352 1 64 GLU H 1 64 GLU QB 3.338 2.336 4.340 2.718 2.577 2.895 . 0 0 "[ . 1 . 2]" 2
353 1 64 GLU HA 1 65 VAL H 2.652 . 3.448 2.226 2.146 2.412 . 0 0 "[ . 1 . 2]" 2
354 1 64 GLU HG2 1 65 VAL H 3.488 2.442 4.534 4.299 3.975 4.656 0.122 12 0 "[ . 1 . 2]" 2
355 1 65 VAL H 1 65 VAL HA 3.256 2.279 4.233 2.859 2.775 2.898 . 0 0 "[ . 1 . 2]" 2
356 1 65 VAL H 1 65 VAL HB 3.307 2.315 4.299 3.085 2.465 3.685 . 0 0 "[ . 1 . 2]" 2
357 1 65 VAL H 1 65 VAL QG 2.584 . 3.859 2.001 1.879 2.335 . 0 0 "[ . 1 . 2]" 2
358 1 29 ILE MG 1 66 GLY H 3.697 2.588 4.806 2.869 2.520 3.265 0.068 16 0 "[ . 1 . 2]" 2
359 1 65 VAL HA 1 66 GLY H 2.634 . 3.424 2.081 2.021 2.143 . 0 0 "[ . 1 . 2]" 2
360 1 65 VAL QG 1 66 GLY H 2.930 2.051 3.809 3.241 2.894 3.531 . 0 0 "[ . 1 . 2]" 2
361 1 66 GLY H 1 66 GLY HA2 2.866 2.006 3.726 2.441 2.355 2.551 . 0 0 "[ . 1 . 2]" 2
362 1 64 GLU QB 1 67 GLY H 3.142 2.199 4.085 3.420 2.927 3.896 . 0 0 "[ . 1 . 2]" 2
363 1 66 GLY HA3 1 67 GLY H 3.173 2.221 4.125 3.186 2.965 3.450 . 0 0 "[ . 1 . 2]" 2
364 1 67 GLY H 1 67 GLY HA2 2.710 . 3.523 2.903 2.860 2.950 . 0 0 "[ . 1 . 2]" 2
365 1 67 GLY H 1 67 GLY HA3 2.743 . 3.566 2.346 2.298 2.572 . 0 0 "[ . 1 . 2]" 2
366 1 67 GLY HA2 1 68 TYR H 2.977 2.084 3.870 2.756 2.537 2.905 . 0 0 "[ . 1 . 2]" 2
367 1 67 GLY HA3 1 68 TYR H 2.937 2.056 3.818 2.399 2.269 3.556 . 0 0 "[ . 1 . 2]" 2
368 1 68 TYR H 1 68 TYR HA 3.559 2.491 4.627 2.939 2.889 2.949 . 0 0 "[ . 1 . 2]" 2
369 1 68 TYR HA 1 69 LEU H 2.902 2.032 3.772 2.198 2.103 2.888 . 0 0 "[ . 1 . 2]" 2
370 1 69 LEU H 1 69 LEU HB3 3.080 2.156 4.004 2.797 2.433 3.652 . 0 0 "[ . 1 . 2]" 2
371 1 69 LEU HA 1 70 PHE H 2.774 . 3.606 2.453 2.176 3.588 . 0 0 "[ . 1 . 2]" 2
372 1 69 LEU HB2 1 70 PHE H 3.329 2.330 4.328 3.940 3.050 4.447 0.119 18 0 "[ . 1 . 2]" 2
373 1 70 PHE H 1 70 PHE QD 3.127 2.189 4.065 3.013 2.553 3.471 . 0 0 "[ . 1 . 2]" 2
374 1 70 PHE H 1 70 PHE HA 3.215 2.250 4.180 2.910 2.821 2.946 . 0 0 "[ . 1 . 2]" 2
375 1 70 PHE QD 1 71 ARG H 3.195 2.236 4.154 3.429 2.740 4.161 0.007 3 0 "[ . 1 . 2]" 2
376 1 70 PHE HA 1 71 ARG H 3.284 2.299 4.269 2.334 2.229 2.528 0.070 3 0 "[ . 1 . 2]" 2
377 1 71 ARG H 1 71 ARG HA 3.604 2.523 4.685 2.927 2.892 2.951 . 0 0 "[ . 1 . 2]" 2
378 1 71 ARG HA 1 72 SER H 2.816 . 3.661 2.180 2.120 2.242 . 0 0 "[ . 1 . 2]" 2
379 1 72 SER H 1 72 SER HA 3.260 2.282 4.238 2.926 2.906 2.941 . 0 0 "[ . 1 . 2]" 2
380 1 72 SER H 1 72 SER HB2 3.076 2.153 3.999 3.674 3.607 3.759 . 0 0 "[ . 1 . 2]" 2
381 1 72 SER H 1 77 LEU QD 3.570 2.499 4.641 4.428 3.456 4.663 0.022 2 0 "[ . 1 . 2]" 2
382 1 74 TYR H 1 74 TYR HA 3.296 2.307 4.285 2.889 2.833 2.944 . 0 0 "[ . 1 . 2]" 2
383 1 74 TYR H 1 75 GLY H 2.928 2.050 3.226 2.400 2.037 2.755 0.013 12 0 "[ . 1 . 2]" 2
384 1 74 TYR HA 1 75 GLY H 3.288 2.302 4.274 3.281 3.038 3.407 . 0 0 "[ . 1 . 2]" 2
385 1 75 GLY H 1 75 GLY HA2 2.963 2.074 3.852 2.345 2.302 2.422 . 0 0 "[ . 1 . 2]" 2
386 1 75 GLY H 1 76 GLU H 3.230 2.261 3.398 2.357 2.213 2.569 0.048 15 0 "[ . 1 . 2]" 2
387 1 76 GLU H 1 76 GLU HB2 2.835 . 3.686 2.601 2.378 3.626 . 0 0 "[ . 1 . 2]" 2
388 1 76 GLU HG2 1 77 LEU H 3.605 2.524 4.686 4.378 2.821 5.189 0.503 6 1 "[ .+ 1 . 2]" 2
389 1 77 LEU H 1 77 LEU QD 2.957 2.070 5.500 2.479 1.771 3.959 0.299 1 0 "[ . 1 . 2]" 2
390 1 77 LEU HA 1 78 LEU H 3.028 2.120 3.936 2.156 2.038 2.348 0.082 4 0 "[ . 1 . 2]" 2
391 1 39 SER HA 1 53 MET H 3.594 2.516 4.672 4.614 4.194 4.872 0.200 18 0 "[ . 1 . 2]" 2
392 1 57 THR HA 1 61 PHE H 3.231 2.262 4.200 4.250 4.206 4.301 0.101 2 0 "[ . 1 . 2]" 2
393 1 78 LEU HA 1 79 TYR H 2.955 2.069 3.841 2.495 2.220 3.181 . 0 0 "[ . 1 . 2]" 2
394 1 78 LEU MD1 1 79 TYR H 2.939 2.057 3.821 3.905 2.380 4.632 0.811 7 7 "[** . +* 1 * * -]" 2
395 1 79 TYR H 1 79 TYR HA 3.465 2.426 4.504 2.937 2.912 2.953 . 0 0 "[ . 1 . 2]" 2
396 1 79 TYR HA 1 80 MET H 2.712 . 3.526 2.248 2.129 2.343 . 0 0 "[ . 1 . 2]" 2
397 1 79 TYR QD 1 80 MET H 3.268 2.288 4.248 3.229 2.781 3.775 . 0 0 "[ . 1 . 2]" 2
398 1 79 TYR HB2 1 80 MET H 3.116 2.181 4.051 3.249 2.749 4.178 0.127 6 0 "[ . 1 . 2]" 2
399 1 80 MET H 1 80 MET HA 3.505 2.453 4.557 2.877 2.800 2.946 . 0 0 "[ . 1 . 2]" 2
400 1 79 TYR QE 1 81 SER H 3.545 2.482 5.108 4.955 3.960 5.224 0.116 13 0 "[ . 1 . 2]" 2
401 1 80 MET ME 1 81 SER H 3.222 2.255 4.689 3.775 2.313 4.829 0.140 11 0 "[ . 1 . 2]" 2
402 1 82 LYS H 1 82 LYS HA 2.506 . 3.258 2.806 2.741 2.880 . 0 0 "[ . 1 . 2]" 2
403 1 82 LYS H 1 82 LYS HB2 2.988 2.092 3.884 3.529 2.768 3.678 . 0 0 "[ . 1 . 2]" 2
404 1 82 LYS HB2 1 83 THR H 3.139 2.197 4.081 3.837 2.564 4.179 0.098 9 0 "[ . 1 . 2]" 2
405 1 54 SER H 1 57 THR H 3.407 2.385 5.500 4.567 3.986 4.966 . 0 0 "[ . 1 . 2]" 2
406 1 82 LYS H 1 83 THR H 3.074 2.152 3.444 2.684 2.358 2.925 . 0 0 "[ . 1 . 2]" 2
407 1 82 LYS HG3 1 83 THR H 2.703 . 3.514 2.731 2.094 4.021 0.507 6 1 "[ .+ 1 . 2]" 2
408 1 83 THR H 1 83 THR HA 2.905 2.034 3.776 2.778 2.717 2.816 . 0 0 "[ . 1 . 2]" 2
409 1 83 THR H 1 83 THR HB 2.681 . 3.485 3.552 3.524 3.603 0.118 3 0 "[ . 1 . 2]" 2
410 1 83 THR H 1 83 THR MG 2.899 2.029 3.769 2.419 2.196 2.639 . 0 0 "[ . 1 . 2]" 2
411 1 83 THR H 1 84 ALA H 3.133 2.193 3.221 2.825 2.553 3.189 . 0 0 "[ . 1 . 2]" 2
412 1 84 ALA H 1 84 ALA HA 2.783 . 3.618 2.856 2.805 2.885 . 0 0 "[ . 1 . 2]" 2
413 1 84 ALA H 1 84 ALA MB 2.621 . 3.407 2.242 2.224 2.278 . 0 0 "[ . 1 . 2]" 2
414 1 84 ALA H 1 85 PHE H 3.043 2.130 3.857 2.506 2.359 2.645 . 0 0 "[ . 1 . 2]" 2
415 1 84 ALA MB 1 85 PHE H 2.805 . 3.647 2.504 2.255 2.686 . 0 0 "[ . 1 . 2]" 2
416 1 85 PHE H 1 85 PHE QB 2.725 . 3.543 2.204 2.084 2.274 . 0 0 "[ . 1 . 2]" 2
417 1 84 ALA MB 1 86 GLU H 3.458 2.421 4.495 4.579 4.321 4.710 0.215 15 0 "[ . 1 . 2]" 2
418 1 85 PHE QB 1 86 GLU H 3.158 2.211 4.105 2.500 2.069 2.933 0.142 6 0 "[ . 1 . 2]" 2
419 1 86 GLU H 1 86 GLU HA 2.919 2.043 3.795 2.826 2.780 2.867 . 0 0 "[ . 1 . 2]" 2
420 1 84 ALA HA 1 87 ALA H 3.169 2.218 5.500 3.540 3.146 3.998 . 0 0 "[ . 1 . 2]" 2
421 1 87 ALA H 1 87 ALA HA 2.830 . 3.679 2.892 2.833 2.929 . 0 0 "[ . 1 . 2]" 2
422 1 87 ALA H 1 87 ALA MB 2.424 . 3.151 2.290 2.246 2.347 . 0 0 "[ . 1 . 2]" 2
423 1 87 ALA MB 1 88 ASN H 2.972 2.080 3.864 2.814 2.151 3.302 . 0 0 "[ . 1 . 2]" 2
424 1 88 ASN H 1 88 ASN HA 3.153 2.207 4.099 2.909 2.847 2.948 . 0 0 "[ . 1 . 2]" 2
425 1 88 ASN H 1 88 ASN QB 2.846 2.157 3.700 2.372 2.093 2.584 0.064 11 0 "[ . 1 . 2]" 2
426 1 88 ASN HA 1 88 ASN HD22 3.369 2.358 4.380 3.944 3.365 4.504 0.124 20 0 "[ . 1 . 2]" 2
427 1 88 ASN QB 1 88 ASN HD22 3.589 2.512 4.666 3.359 3.209 3.498 . 0 0 "[ . 1 . 2]" 2
428 1 85 PHE HA 1 89 TYR H 3.628 2.540 4.716 4.006 3.227 4.855 0.139 11 0 "[ . 1 . 2]" 2
429 1 88 ASN H 1 89 TYR H 2.806 2.012 3.439 2.236 1.962 2.552 0.050 4 0 "[ . 1 . 2]" 2
430 1 88 ASN QB 1 89 TYR H 3.300 2.310 3.997 2.943 2.764 3.188 . 0 0 "[ . 1 . 2]" 2
431 1 89 TYR H 1 89 TYR QE 3.024 2.117 3.931 4.125 3.924 4.267 0.336 10 0 "[ . 1 . 2]" 2
432 1 89 TYR H 1 90 THR MG 3.083 2.158 4.008 4.001 3.175 4.404 0.396 19 0 "[ . 1 . 2]" 2
433 1 89 TYR HA 1 90 THR H 2.715 . 3.529 3.153 2.391 3.592 0.063 16 0 "[ . 1 . 2]" 2
434 1 90 THR H 1 90 THR MG 3.039 2.127 3.951 2.813 2.044 3.579 0.083 18 0 "[ . 1 . 2]" 2
435 1 91 SER H 1 91 SER HB3 2.743 . 3.566 3.215 2.626 4.040 0.474 11 0 "[ . 1 . 2]" 2
436 1 91 SER H 1 91 SER HB2 2.764 . 3.593 2.660 2.239 3.617 0.024 11 0 "[ . 1 . 2]" 2
437 1 91 SER HA 1 92 ALA H 3.192 2.234 4.150 3.030 2.224 3.590 0.010 15 0 "[ . 1 . 2]" 2
438 1 91 SER HB3 1 92 ALA H 2.579 . 3.353 2.871 1.822 3.919 0.566 20 1 "[ . 1 . +]" 2
439 1 92 ALA H 1 92 ALA HA 3.171 2.220 4.122 2.472 2.257 2.943 . 0 0 "[ . 1 . 2]" 2
440 1 92 ALA H 1 92 ALA MB 2.903 2.032 3.774 2.840 2.442 3.032 . 0 0 "[ . 1 . 2]" 2
441 1 92 ALA MB 1 93 SER H 2.932 2.052 3.812 3.150 2.002 3.721 0.050 9 0 "[ . 1 . 2]" 2
442 1 92 ALA H 1 93 SER H . 2.283 3.116 2.721 2.234 3.301 0.185 17 0 "[ . 1 . 2]" 2
443 1 92 ALA HA 1 93 SER H 2.739 . 3.561 3.030 2.293 3.578 0.017 9 0 "[ . 1 . 2]" 2
444 1 93 SER QB 1 94 GLY H 2.772 . 3.604 2.904 1.881 3.869 0.265 6 0 "[ . 1 . 2]" 2
445 1 93 SER HA 1 94 GLY H 3.056 2.139 3.973 2.839 2.122 3.564 0.017 10 0 "[ . 1 . 2]" 2
446 1 94 GLY H 1 94 GLY HA2 2.636 . 3.427 2.596 2.298 2.912 . 0 0 "[ . 1 . 2]" 2
447 1 94 GLY HA2 1 95 SER H 3.226 2.258 4.194 3.371 2.594 3.576 . 0 0 "[ . 1 . 2]" 2
448 1 95 SER HA 1 96 VAL H 2.978 2.084 3.872 3.093 2.252 3.548 . 0 0 "[ . 1 . 2]" 2
449 1 96 VAL H 1 96 VAL HB 3.591 2.514 4.668 3.132 2.485 3.735 0.029 4 0 "[ . 1 . 2]" 2
450 1 96 VAL H 1 96 VAL QG 3.130 2.191 4.069 2.531 2.066 2.951 0.125 15 0 "[ . 1 . 2]" 2
451 1 96 VAL H 1 98 ASN QD 3.541 2.479 4.603 4.013 2.707 4.502 . 0 0 "[ . 1 . 2]" 2
452 1 96 VAL HA 1 97 ALA H 2.869 2.008 3.730 3.421 2.218 3.575 . 0 0 "[ . 1 . 2]" 2
453 1 97 ALA H 1 97 ALA MB 2.945 2.061 3.829 2.484 2.239 2.942 . 0 0 "[ . 1 . 2]" 2
454 1 97 ALA MB 1 98 ASN H 3.771 2.640 4.902 3.222 2.569 3.708 0.071 8 0 "[ . 1 . 2]" 2
455 1 97 ALA HA 1 98 ASN H 2.966 2.076 3.856 3.166 2.164 3.531 . 0 0 "[ . 1 . 2]" 2
456 1 98 ASN H 1 98 ASN QB 3.518 2.463 4.573 3.104 2.348 3.437 0.115 14 0 "[ . 1 . 2]" 2
457 1 98 ASN H 1 98 ASN HA 3.287 2.301 4.273 2.657 2.266 2.932 0.035 5 0 "[ . 1 . 2]" 2
458 1 98 ASN HA 1 98 ASN QD 3.303 2.312 4.294 3.521 2.108 4.273 0.204 2 0 "[ . 1 . 2]" 2
459 1 98 ASN HA 1 99 ALA H 3.129 2.190 4.068 2.906 2.152 3.599 0.038 18 0 "[ . 1 . 2]" 2
460 1 98 ASN QB 1 99 ALA H 3.596 2.517 4.675 3.241 2.387 3.953 0.130 7 0 "[ . 1 . 2]" 2
461 1 99 ALA H 1 99 ALA MB 2.994 2.096 3.892 2.464 2.249 2.987 . 0 0 "[ . 1 . 2]" 2
462 1 99 ALA HA 1 100 GLU H 2.389 . 3.106 3.180 2.618 3.475 0.369 18 0 "[ . 1 . 2]" 2
463 1 100 GLU H 1 100 GLU QB 3.240 2.268 3.831 2.586 2.316 3.334 . 0 0 "[ . 1 . 2]" 2
464 1 100 GLU H 1 100 GLU QG 3.376 2.363 4.389 2.828 2.261 3.548 0.102 10 0 "[ . 1 . 2]" 2
465 1 98 ASN HA 1 101 THR H 3.345 2.342 4.348 4.114 2.989 4.670 0.322 3 0 "[ . 1 . 2]" 2
466 1 100 GLU QG 1 101 THR H 3.554 2.488 4.620 4.159 3.767 4.558 . 0 0 "[ . 1 . 2]" 2
467 1 100 GLU HA 1 101 THR H 3.143 2.200 4.086 3.385 2.532 3.597 . 0 0 "[ . 1 . 2]" 2
468 1 101 THR H 1 101 THR HB 3.174 2.222 4.126 3.080 2.481 4.079 . 0 0 "[ . 1 . 2]" 2
469 1 102 ALA H 1 102 ALA MB 2.870 2.009 3.731 2.603 2.219 2.944 . 0 0 "[ . 1 . 2]" 2
470 1 102 ALA HA 1 103 ASP H 3.196 2.237 4.155 2.599 2.150 3.496 0.087 10 0 "[ . 1 . 2]" 2
471 1 103 ASP H 1 103 ASP QB 2.908 2.036 3.780 2.434 2.188 2.854 . 0 0 "[ . 1 . 2]" 2
472 1 103 ASP HA 1 104 LYS H 3.112 2.178 4.046 3.395 3.087 3.621 . 0 0 "[ . 1 . 2]" 2
473 1 103 ASP QB 1 104 LYS H 3.664 2.565 4.763 3.237 2.320 3.918 0.245 8 0 "[ . 1 . 2]" 2
474 1 104 LYS H 1 104 LYS QB 2.833 . 3.683 2.480 2.176 2.897 . 0 0 "[ . 1 . 2]" 2
475 1 104 LYS H 1 104 LYS QG 3.595 2.517 4.673 3.175 1.925 4.169 0.592 2 4 "[*+ . 1 . -*]" 2
476 1 106 SER H 1 106 SER HA 2.732 . 3.552 2.686 2.252 2.940 . 0 0 "[ . 1 . 2]" 2
477 1 106 SER H 1 106 SER QB 2.817 . 3.662 2.975 2.469 3.451 . 0 0 "[ . 1 . 2]" 2
478 1 106 SER HA 1 107 THR H 2.806 . 3.648 2.865 2.231 3.505 . 0 0 "[ . 1 . 2]" 2
479 1 104 LYS QG 1 107 THR H 3.244 2.271 4.217 3.730 2.763 4.230 0.013 20 0 "[ . 1 . 2]" 2
480 1 106 SER QB 1 107 THR H 2.925 2.048 3.802 3.694 2.855 3.985 0.183 4 0 "[ . 1 . 2]" 2
481 1 106 SER H 1 107 THR MG 2.876 2.013 3.739 3.584 2.863 3.939 0.200 16 0 "[ . 1 . 2]" 2
482 1 107 THR H 1 107 THR HA 2.909 2.036 3.782 2.882 2.710 2.944 . 0 0 "[ . 1 . 2]" 2
483 1 108 ALA H 1 108 ALA MB 3.088 2.162 4.014 2.653 2.217 2.981 . 0 0 "[ . 1 . 2]" 2
484 1 108 ALA HA 1 109 ARG H 2.775 . 3.607 3.168 2.161 3.560 . 0 0 "[ . 1 . 2]" 2
485 1 109 ARG H 1 109 ARG HB2 3.412 2.389 4.435 2.836 2.422 3.643 . 0 0 "[ . 1 . 2]" 2
486 1 109 ARG H 1 109 ARG HG2 3.899 2.729 5.069 3.569 2.659 4.702 0.070 12 0 "[ . 1 . 2]" 2
487 1 109 ARG HA 1 110 THR H 2.741 . 3.563 2.902 2.109 3.570 0.007 9 0 "[ . 1 . 2]" 2
488 1 110 THR H 1 110 THR HB 3.534 2.474 4.594 3.694 3.505 4.039 . 0 0 "[ . 1 . 2]" 2
489 1 110 THR HA 1 111 ILE H 2.742 . 3.565 2.961 2.162 3.571 0.006 9 0 "[ . 1 . 2]" 2
490 1 111 ILE H 1 111 ILE HB 3.055 2.138 3.972 2.923 2.498 3.693 . 0 0 "[ . 1 . 2]" 2
491 1 111 ILE HA 1 112 THR H 2.781 . 3.615 3.112 2.135 3.582 . 0 0 "[ . 1 . 2]" 2
492 1 112 THR H 1 112 THR HB 3.418 2.393 4.443 3.740 3.490 4.090 . 0 0 "[ . 1 . 2]" 2
493 1 113 LEU HA 1 114 THR H 2.810 . 3.653 2.645 2.120 3.538 . 0 0 "[ . 1 . 2]" 2
494 1 114 THR HA 1 115 GLY H 3.325 2.327 4.323 2.951 2.190 3.558 0.137 17 0 "[ . 1 . 2]" 2
495 1 115 GLY H 1 115 GLY QA 2.842 . 3.695 2.335 2.200 2.500 . 0 0 "[ . 1 . 2]" 2
496 1 115 GLY HA2 1 116 ALA H 2.904 2.033 3.775 3.030 2.196 3.566 . 0 0 "[ . 1 . 2]" 2
497 1 116 ALA H 1 116 ALA MB 3.391 2.374 4.408 2.593 2.307 2.957 0.067 1 0 "[ . 1 . 2]" 2
498 1 116 ALA H 1 116 ALA HA 3.453 2.417 4.489 2.820 2.290 2.945 0.127 4 0 "[ . 1 . 2]" 2
499 1 116 ALA HA 1 117 VAL H 3.064 2.145 3.983 2.750 2.138 3.561 0.007 12 0 "[ . 1 . 2]" 2
500 1 119 GLY H 1 119 GLY QA 3.194 2.236 4.152 2.352 2.204 2.502 0.032 8 0 "[ . 1 . 2]" 2
501 1 120 SER H 1 120 SER HA 2.344 . 3.047 2.873 2.256 2.949 . 0 0 "[ . 1 . 2]" 2
502 1 121 ALA H 1 121 ALA MB 2.800 . 3.640 2.629 2.222 2.951 . 0 0 "[ . 1 . 2]" 2
503 1 121 ALA HA 1 122 SER H 3.094 2.166 4.022 3.091 2.268 3.571 . 0 0 "[ . 1 . 2]" 2
504 1 122 SER H 1 122 SER HB3 3.388 2.372 4.404 3.306 2.498 4.066 . 0 0 "[ . 1 . 2]" 2
505 1 122 SER HA 1 123 PHE H 3.514 2.460 4.568 2.784 2.241 3.557 0.219 1 0 "[ . 1 . 2]" 2
506 1 123 PHE H 1 123 PHE QD 3.339 2.337 4.341 3.075 2.305 3.603 0.032 5 0 "[ . 1 . 2]" 2
507 1 124 ASP HA 1 125 GLY H 3.403 2.382 4.424 2.979 2.248 3.573 0.134 11 0 "[ . 1 . 2]" 2
508 1 125 GLY H 1 125 GLY QA 3.124 2.187 4.061 2.338 2.187 2.495 . 0 0 "[ . 1 . 2]" 2
509 1 126 SER HA 1 127 ALA H 3.342 2.339 4.345 2.807 2.204 3.567 0.135 4 0 "[ . 1 . 2]" 2
510 1 127 ALA H 1 127 ALA MB 2.937 2.056 3.818 2.463 2.226 2.975 . 0 0 "[ . 1 . 2]" 2
511 1 127 ALA HA 1 128 ASN H 3.329 2.330 4.328 2.934 2.206 3.575 0.124 2 0 "[ . 1 . 2]" 2
512 1 127 ALA MB 1 128 ASN H 3.510 2.457 4.563 3.146 2.332 3.710 0.125 20 0 "[ . 1 . 2]" 2
513 1 128 ASN HB2 1 128 ASN HD21 3.395 2.376 4.414 2.585 2.196 3.475 0.180 9 0 "[ . 1 . 2]" 2
514 1 130 THR H 1 130 THR HA 2.588 . 3.364 2.734 2.239 2.943 . 0 0 "[ . 1 . 2]" 2
515 1 130 THR H 1 130 THR MG 3.040 2.128 3.952 2.803 2.598 3.376 . 0 0 "[ . 1 . 2]" 2
516 1 130 THR HA 1 131 ILE H 2.981 2.087 3.875 3.165 2.146 3.569 . 0 0 "[ . 1 . 2]" 2
517 1 130 THR HB 1 132 GLU H 3.048 2.134 3.962 3.589 2.334 4.012 0.050 16 0 "[ . 1 . 2]" 2
518 1 132 GLU H 1 132 GLU HA 3.725 2.608 4.842 2.864 2.313 2.948 0.295 17 0 "[ . 1 . 2]" 2
519 1 136 GLY HA3 1 137 SER H 2.781 . 3.615 2.848 2.154 3.555 . 0 0 "[ . 1 . 2]" 2
520 1 137 SER H 1 137 SER HA 2.973 2.081 3.865 2.917 2.779 2.942 . 0 0 "[ . 1 . 2]" 2
521 1 5 ALA H 1 6 ASN H 2.594 . 3.372 2.654 1.765 3.507 0.135 20 0 "[ . 1 . 2]" 2
522 1 12 SER H 1 13 TRP H 3.010 2.107 3.913 2.785 2.455 3.705 . 0 0 "[ . 1 . 2]" 2
523 1 25 SER H 1 71 ARG H 3.416 2.391 4.441 3.084 2.788 3.423 . 0 0 "[ . 1 . 2]" 2
524 1 27 LEU H 1 69 LEU H 3.525 2.467 5.500 3.575 3.023 4.493 . 0 0 "[ . 1 . 2]" 2
525 1 33 LYS H 1 41 ASN H 3.156 2.209 5.500 2.907 2.475 3.531 . 0 0 "[ . 1 . 2]" 2
526 1 37 ASP H 1 38 GLY H 2.943 2.060 2.988 2.385 2.170 2.602 . 0 0 "[ . 1 . 2]" 2
527 1 55 ALA H 1 58 VAL H 3.407 2.385 4.429 4.520 4.441 4.595 0.166 20 0 "[ . 1 . 2]" 2
528 1 60 VAL H 1 62 LYS H 3.797 2.658 4.936 3.835 3.695 3.925 . 0 0 "[ . 1 . 2]" 2
529 1 61 PHE H 1 62 LYS H 3.319 2.323 4.315 2.448 2.279 2.574 0.044 12 0 "[ . 1 . 2]" 2
530 1 70 PHE H 1 78 LEU H 3.608 2.526 5.190 2.963 2.639 3.482 . 0 0 "[ . 1 . 2]" 2
531 1 73 GLN H 1 73 GLN QE 3.652 2.556 4.748 3.541 2.457 4.821 0.099 14 0 "[ . 1 . 2]" 2
532 1 72 SER H 1 75 GLY H 3.847 2.693 5.001 3.886 3.394 4.366 . 0 0 "[ . 1 . 2]" 2
533 1 93 SER H 1 94 GLY H 3.294 2.306 4.282 3.502 2.173 4.554 0.272 20 0 "[ . 1 . 2]" 2
534 1 94 GLY H 1 95 SER H 3.022 2.115 3.929 3.134 2.302 4.024 0.095 3 0 "[ . 1 . 2]" 2
535 1 98 ASN H 1 99 ALA H 3.371 2.360 4.382 3.226 2.312 4.346 0.048 20 0 "[ . 1 . 2]" 2
536 1 100 GLU H 1 102 ALA H 2.726 . 3.544 3.488 3.128 3.692 0.148 5 0 "[ . 1 . 2]" 2
537 1 101 THR H 1 102 ALA H 3.090 2.163 4.017 2.642 2.136 3.583 0.027 7 0 "[ . 1 . 2]" 2
538 1 107 THR H 1 108 ALA H 3.236 2.265 4.207 3.293 2.218 4.403 0.196 6 0 "[ . 1 . 2]" 2
539 1 109 ARG H 1 111 ILE H 4.571 3.200 5.942 4.975 3.375 6.126 0.184 10 0 "[ . 1 . 2]" 2
540 1 111 ILE H 1 112 THR H 3.211 2.248 4.174 2.944 2.115 4.130 0.133 8 0 "[ . 1 . 2]" 2
541 1 111 ILE H 1 113 LEU H 2.990 2.093 3.887 3.774 3.205 4.054 0.167 20 0 "[ . 1 . 2]" 2
542 1 112 THR H 1 113 LEU H 3.521 2.465 4.577 2.842 2.470 3.874 . 0 0 "[ . 1 . 2]" 2
543 1 115 GLY H 1 116 ALA H 3.367 2.357 4.377 3.116 2.338 4.450 0.073 4 0 "[ . 1 . 2]" 2
544 1 121 ALA H 1 122 SER H 3.432 2.402 4.462 2.949 2.399 3.930 0.003 9 0 "[ . 1 . 2]" 2
545 1 120 SER H 1 122 SER H 3.282 2.298 4.266 3.873 3.031 4.360 0.094 14 0 "[ . 1 . 2]" 2
546 1 17 LYS HA 1 23 TYR HA 5.756 . 6.907 2.787 1.889 3.467 . 0 0 "[ . 1 . 2]" 2
547 1 24 VAL HA 1 72 SER HA 3.098 2.478 3.718 2.518 2.365 3.269 0.113 8 0 "[ . 1 . 2]" 2
548 1 31 ALA MB 1 32 ILE MD 3.961 3.169 5.253 5.253 5.164 5.313 0.060 5 0 "[ . 1 . 2]" 2
549 1 32 ILE HA 1 42 ALA HA 2.308 . 5.500 2.375 2.063 2.616 . 0 0 "[ . 1 . 2]" 2
550 1 43 GLU HA 1 50 ASP HA 3.362 2.690 4.034 2.844 2.475 4.323 0.289 19 0 "[ . 1 . 2]" 2
551 1 57 THR HA 1 60 VAL HB 5.360 4.288 6.432 4.143 4.094 4.175 0.194 16 0 "[ . 1 . 2]" 2
552 1 56 GLN HA 1 59 ALA MB 3.313 2.650 3.976 2.686 2.575 2.818 0.075 1 0 "[ . 1 . 2]" 2
553 1 58 VAL HA 1 61 PHE HB2 5.675 . 6.810 3.015 2.398 3.382 . 0 0 "[ . 1 . 2]" 2
554 1 86 GLU HA 1 89 TYR QB 5.606 4.485 6.727 4.382 3.283 6.182 1.202 12 6 "[ * -1 + .* **]" 2
555 1 84 ALA HA 1 87 ALA MB 3.406 2.725 5.500 2.900 2.611 3.821 0.114 15 0 "[ . 1 . 2]" 2
556 1 121 ALA HA 1 121 ALA MB 7.134 . 8.000 2.127 2.121 2.136 . 0 0 "[ . 1 . 2]" 2
557 1 15 LEU QD 1 23 TYR QE 4.243 3.182 5.500 2.928 1.985 4.516 1.197 14 7 "[ * *.- 1* +* *]" 2
558 1 20 ASP HB2 1 21 GLY HA3 3.570 2.677 4.870 4.858 4.776 4.945 0.075 5 0 "[ . 1 . 2]" 2
559 1 21 GLY HA2 1 22 VAL HB 5.027 3.770 6.284 5.323 5.161 5.613 . 0 0 "[ . 1 . 2]" 2
560 1 22 VAL QG 1 72 SER HA 4.443 3.332 6.054 4.129 3.422 5.236 . 0 0 "[ . 1 . 2]" 2
561 1 15 LEU HB2 1 23 TYR QD 5.023 3.767 6.779 4.570 3.686 6.166 0.081 1 0 "[ . 1 . 2]" 2
562 1 24 VAL HA 1 24 VAL QG 3.879 2.918 4.849 2.540 2.448 2.613 0.470 16 0 "[ . 1 . 2]" 2
563 1 24 VAL QG 1 70 PHE QE 3.471 2.603 5.500 3.636 2.757 4.571 . 0 0 "[ . 1 . 2]" 2
564 1 24 VAL QG 1 72 SER HB3 2.706 2.029 3.383 2.612 1.934 3.262 0.095 13 0 "[ . 1 . 2]" 2
565 1 24 VAL QG 1 72 SER HA 4.330 3.247 5.413 2.979 1.908 3.498 1.339 17 4 "[ * 1- * . + 2]" 2
566 1 26 ALA MB 1 69 LEU HA 4.449 3.337 6.061 5.819 4.880 6.214 0.153 8 0 "[ . 1 . 2]" 2
567 1 27 LEU QD 1 48 TYR QE 4.400 3.300 4.756 3.031 2.653 4.251 0.647 9 7 "[* * +1 **-. * 2]" 2
568 1 27 LEU QD 1 48 TYR QB 4.447 3.335 5.559 3.454 3.119 4.185 0.216 20 0 "[ . 1 . 2]" 2
569 1 28 PRO HA 1 29 ILE HG12 4.087 3.065 5.109 4.975 4.822 5.203 0.094 1 0 "[ . 1 . 2]" 2
570 1 29 ILE MD 1 29 ILE MG 2.799 2.099 3.499 2.108 2.031 3.227 0.068 9 0 "[ . 1 . 2]" 2
571 1 29 ILE HB 1 29 ILE MD 2.861 2.146 3.576 2.412 2.355 2.450 . 0 0 "[ . 1 . 2]" 2
572 1 29 ILE HA 1 29 ILE HB 3.572 2.679 4.465 3.020 2.912 3.031 . 0 0 "[ . 1 . 2]" 2
573 1 29 ILE MG 1 66 GLY HA2 5.059 3.794 6.324 4.724 4.114 5.231 . 0 0 "[ . 1 . 2]" 2
574 1 32 ILE HB 1 32 ILE HG13 3.100 2.325 3.875 2.586 2.571 2.606 . 0 0 "[ . 1 . 2]" 2
575 1 32 ILE HA 1 32 ILE HB 3.452 2.589 4.315 3.033 3.021 3.042 . 0 0 "[ . 1 . 2]" 2
576 1 32 ILE MD 1 42 ALA MB 3.003 2.252 3.754 3.245 2.854 3.751 . 0 0 "[ . 1 . 2]" 2
577 1 32 ILE MD 1 65 VAL QG 2.970 2.228 3.712 2.600 2.183 3.284 0.045 19 0 "[ . 1 . 2]" 2
578 1 18 ASP HB2 1 20 ASP H 2.963 2.074 5.500 4.468 3.478 4.776 . 0 0 "[ . 1 . 2]" 2
579 1 18 ASP HB2 1 21 GLY H 3.110 2.177 5.500 4.664 1.859 5.078 0.318 17 0 "[ . 1 . 2]" 2
580 1 37 ASP HB2 1 39 SER H 3.299 2.309 5.500 4.098 3.992 4.496 . 0 0 "[ . 1 . 2]" 2
581 1 30 LYS QB 1 44 PHE H 3.371 2.360 4.382 4.248 3.989 4.474 0.092 13 0 "[ . 1 . 2]" 2
582 1 20 ASP H 1 22 VAL QG 3.508 2.455 4.561 3.694 3.332 4.009 . 0 0 "[ . 1 . 2]" 2
583 1 16 TYR H 1 24 VAL H 3.374 2.362 5.500 3.653 2.882 4.389 . 0 0 "[ . 1 . 2]" 2
584 1 27 LEU QB 1 48 TYR QB 3.577 2.683 5.500 4.273 3.388 5.547 0.047 16 0 "[ . 1 . 2]" 2
585 1 18 ASP H 1 22 VAL H 3.250 2.275 5.500 3.380 2.897 4.618 . 0 0 "[ . 1 . 2]" 2
586 1 19 ALA H 1 21 GLY H 3.094 2.166 5.500 3.700 2.747 3.906 . 0 0 "[ . 1 . 2]" 2
587 1 34 TYR HA 1 40 ALA HA 3.227 2.582 5.500 2.616 2.447 3.293 0.135 14 0 "[ . 1 . 2]" 2
588 1 72 SER H 1 77 LEU H 3.501 2.451 5.051 4.946 4.696 5.149 0.098 11 0 "[ . 1 . 2]" 2
589 1 31 ALA HA 1 65 VAL HA 4.343 3.474 5.500 4.040 3.460 5.060 0.014 15 0 "[ . 1 . 2]" 2
590 1 32 ILE HB 1 65 VAL QG 3.361 2.521 5.500 2.679 2.438 3.224 0.083 19 0 "[ . 1 . 2]" 2
591 1 37 ASP HA 1 37 ASP HB2 2.704 2.028 3.380 2.409 2.364 2.453 . 0 0 "[ . 1 . 2]" 2
592 1 37 ASP HA 1 37 ASP HB3 2.617 . 3.271 2.502 2.445 2.563 . 0 0 "[ . 1 . 2]" 2
593 1 34 TYR HA 1 40 ALA MB 2.598 . 5.500 2.744 2.032 3.787 . 0 0 "[ . 1 . 2]" 2
594 1 33 LYS QB 1 41 ASN QB 3.060 2.295 3.825 2.842 2.132 3.768 0.163 12 0 "[ . 1 . 2]" 2
595 1 41 ASN QB 1 52 TYR HA 2.538 2.403 4.005 3.545 2.337 4.174 0.169 18 0 "[ . 1 . 2]" 2
596 1 30 LYS QG 1 45 ASP HA 7.028 5.271 8.000 5.286 5.077 5.906 0.194 8 0 "[ . 1 . 2]" 2
597 1 45 ASP HA 1 45 ASP HB2 3.597 2.698 4.496 2.594 2.319 3.029 0.379 13 0 "[ . 1 . 2]" 2
598 1 27 LEU HA 1 48 TYR QE 5.165 3.874 6.456 4.880 3.871 6.104 0.003 1 0 "[ . 1 . 2]" 2
599 1 48 TYR HA 1 48 TYR QD 3.928 2.946 4.910 2.956 2.852 3.114 0.094 18 0 "[ . 1 . 2]" 2
600 1 48 TYR QD 1 49 ALA MB 4.724 3.543 5.905 4.865 4.172 5.516 . 0 0 "[ . 1 . 2]" 2
601 1 49 ALA HA 1 49 ALA MB 2.889 2.167 3.611 2.128 2.121 2.136 0.046 5 0 "[ . 1 . 2]" 2
602 1 51 GLN HA 1 52 TYR QD 4.315 3.236 5.394 3.999 3.210 5.346 0.026 8 0 "[ . 1 . 2]" 2
603 1 39 SER QB 1 54 SER QB 3.162 2.372 5.500 4.785 3.938 5.328 . 0 0 "[ . 1 . 2]" 2
604 1 60 VAL HB 1 61 PHE HA 3.231 2.423 4.039 4.082 3.989 4.133 0.094 12 0 "[ . 1 . 2]" 2
605 1 59 ALA HA 1 62 LYS HG3 3.249 2.437 5.500 5.256 3.251 5.739 0.239 14 0 "[ . 1 . 2]" 2
606 1 62 LYS HA 1 62 LYS HG3 3.686 2.764 4.608 3.452 2.576 4.265 0.188 11 0 "[ . 1 . 2]" 2
607 1 64 GLU HA 1 65 VAL QG 4.923 3.692 6.154 3.410 3.222 3.716 0.470 7 0 "[ . 1 . 2]" 2
608 1 66 GLY HA2 1 67 GLY HA2 4.410 3.308 5.512 4.619 4.457 4.705 . 0 0 "[ . 1 . 2]" 2
609 1 66 GLY HA2 1 67 GLY HA3 4.950 3.712 6.188 5.217 5.042 5.297 . 0 0 "[ . 1 . 2]" 2
610 1 24 VAL QG 1 70 PHE QB 4.621 3.466 5.776 2.155 1.773 2.694 1.693 14 20 [*************+***-**] 2
611 1 69 LEU HB2 1 70 PHE QD 4.582 3.436 5.728 5.691 3.528 6.049 0.321 10 0 "[ . 1 . 2]" 2
612 1 69 LEU HA 1 70 PHE QD 4.793 3.595 5.991 3.574 3.383 4.304 0.212 6 0 "[ . 1 . 2]" 2
613 1 39 SER HA 1 58 VAL QG 2.685 2.014 5.500 3.106 2.338 3.557 . 0 0 "[ . 1 . 2]" 2
614 1 71 ARG QG 1 77 LEU QD . 3.488 3.520 2.861 1.936 3.331 1.552 5 14 "[ *+****1**-**** *2]" 2
615 1 74 TYR HA 1 74 TYR HB3 3.120 2.340 3.900 2.437 2.379 2.549 . 0 0 "[ . 1 . 2]" 2
616 1 74 TYR HA 1 74 TYR HB2 3.619 2.714 4.524 3.024 3.014 3.030 . 0 0 "[ . 1 . 2]" 2
617 1 80 MET HB2 1 81 SER HA 5.947 4.460 7.434 5.459 4.125 6.084 0.335 8 0 "[ . 1 . 2]" 2
618 1 82 LYS HA 1 82 LYS HG3 4.108 3.081 5.135 3.693 3.321 4.236 . 0 0 "[ . 1 . 2]" 2
619 1 85 PHE QB 1 86 GLU QB 4.003 3.002 5.004 3.849 3.459 4.087 . 0 0 "[ . 1 . 2]" 2
620 1 86 GLU QB 1 87 ALA HA 5.629 4.222 7.036 4.173 4.060 4.460 0.162 13 0 "[ . 1 . 2]" 2
621 1 89 TYR QB 1 90 THR HA 3.600 2.700 4.500 4.162 3.713 4.636 0.136 3 0 "[ . 1 . 2]" 2
622 1 91 SER HA 1 91 SER HB2 3.765 2.824 4.706 2.691 2.550 3.066 0.274 3 0 "[ . 1 . 2]" 2
623 1 92 ALA HA 1 96 VAL QG 4.511 3.383 5.639 4.502 2.932 5.602 0.451 17 0 "[ . 1 . 2]" 2
624 1 95 SER QB 1 100 GLU QG 4.779 3.584 5.974 3.649 2.204 5.842 1.380 4 7 "[ - +. *** .** 2]" 2
625 1 80 MET HA 1 84 ALA MB 3.270 2.452 5.570 4.570 2.311 5.664 0.141 10 0 "[ . 1 . 2]" 2
626 1 58 VAL HA 1 58 VAL MG1 3.877 2.908 4.846 2.601 2.550 2.650 0.358 18 0 "[ . 1 . 2]" 2
627 1 18 ASP HB2 1 19 ALA H 2.711 . 3.524 2.490 1.822 3.164 0.076 8 0 "[ . 1 . 2]" 2
628 1 64 GLU QB 1 65 VAL H 2.586 . 3.362 2.886 2.216 3.256 . 0 0 "[ . 1 . 2]" 2
629 1 23 TYR QE 1 24 VAL H 3.275 2.292 4.258 4.293 4.039 4.501 0.243 6 0 "[ . 1 . 2]" 2
630 1 30 LYS H 1 31 ALA H 2.483 2.048 3.228 2.671 2.232 2.989 . 0 0 "[ . 1 . 2]" 2
631 1 20 ASP H 1 21 GLY H . 2.117 2.940 2.143 2.033 2.270 0.084 20 0 "[ . 1 . 2]" 2
632 1 23 TYR HB3 1 24 VAL H 2.901 2.031 3.771 3.675 2.774 4.007 0.236 20 0 "[ . 1 . 2]" 2
633 1 35 ALA MB 1 37 ASP H 2.824 . 3.671 2.719 2.569 3.063 . 0 0 "[ . 1 . 2]" 2
634 1 69 LEU H 1 69 LEU HB2 2.936 2.055 3.817 2.818 2.293 3.869 0.052 9 0 "[ . 1 . 2]" 2
635 1 82 LYS H 1 82 LYS HG3 2.887 2.021 3.753 3.161 1.911 3.922 0.169 6 0 "[ . 1 . 2]" 2
636 1 72 SER HB3 1 73 GLN H 2.666 . 3.466 3.554 3.350 3.894 0.428 6 0 "[ . 1 . 2]" 2
637 1 77 LEU HG 1 78 LEU H 3.195 2.237 4.153 4.262 4.008 4.469 0.316 4 0 "[ . 1 . 2]" 2
638 1 69 LEU QD 1 70 PHE H 2.866 2.006 3.726 2.574 1.840 3.319 0.166 17 0 "[ . 1 . 2]" 2
639 1 32 ILE HG12 1 33 LYS H 2.987 2.091 3.883 4.099 4.029 4.172 0.289 12 0 "[ . 1 . 2]" 2
640 1 29 ILE MG 1 31 ALA H 3.104 2.173 4.035 3.421 2.899 4.232 0.197 16 0 "[ . 1 . 2]" 2
641 1 58 VAL MG1 1 62 LYS QB 2.213 . 2.766 2.647 2.294 2.864 0.098 2 0 "[ . 1 . 2]" 2
642 1 15 LEU QD 1 27 LEU QD 2.772 2.079 5.472 4.311 3.543 4.985 . 0 0 "[ . 1 . 2]" 2
643 1 69 LEU QD 1 78 LEU H 2.958 2.071 5.500 3.283 2.520 4.347 . 0 0 "[ . 1 . 2]" 2
644 1 35 ALA H 1 40 ALA HA 3.118 2.183 5.500 2.808 2.367 3.719 . 0 0 "[ . 1 . 2]" 2
645 1 27 LEU QD 1 70 PHE H 3.285 2.300 4.770 3.985 3.277 4.730 . 0 0 "[ . 1 . 2]" 2
646 1 30 LYS H 1 30 LYS QB 3.137 2.196 4.078 2.313 2.111 2.812 0.085 1 0 "[ . 1 . 2]" 2
647 1 29 ILE MD 1 80 MET H 3.523 2.466 4.580 4.454 3.971 4.647 0.067 20 0 "[ . 1 . 2]" 2
648 1 87 ALA HA 1 91 SER HB2 2.816 2.112 3.520 2.971 2.055 3.798 0.278 11 0 "[ . 1 . 2]" 2
649 1 90 THR HA 1 91 SER H 3.216 2.251 4.181 3.495 3.311 3.570 . 0 0 "[ . 1 . 2]" 2
650 1 19 ALA H 1 22 VAL HB 3.184 2.229 4.139 4.343 4.102 4.426 0.287 2 0 "[ . 1 . 2]" 2
651 1 82 LYS HB2 1 86 GLU H 2.868 2.008 4.228 4.373 4.147 4.973 0.745 13 2 "[ - . 1 + . 2]" 2
652 1 86 GLU HA 1 90 THR H 3.088 2.162 4.014 3.747 2.754 4.326 0.312 11 0 "[ . 1 . 2]" 2
653 1 17 LYS H 1 90 THR H 2.468 . 3.145 3.398 3.319 3.479 0.334 3 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 67
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 242.468
_Distance_constraint_stats_list.Viol_max 0.411
_Distance_constraint_stats_list.Viol_rms 0.0334
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.0709
_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 16 TYR 0.448 0.111 10 0 "[ . 1 . 2]"
1 18 ASP 0.587 0.307 12 0 "[ . 1 . 2]"
1 22 VAL 0.587 0.307 12 0 "[ . 1 . 2]"
1 24 VAL 0.448 0.111 10 0 "[ . 1 . 2]"
1 25 SER 0.019 0.019 10 0 "[ . 1 . 2]"
1 27 LEU 0.422 0.155 16 0 "[ . 1 . 2]"
1 29 ILE 0.292 0.248 16 0 "[ . 1 . 2]"
1 31 ALA 0.136 0.082 16 0 "[ . 1 . 2]"
1 33 LYS 0.034 0.023 2 0 "[ . 1 . 2]"
1 35 ALA 0.043 0.020 17 0 "[ . 1 . 2]"
1 38 GLY 0.043 0.020 17 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASN 0.034 0.023 2 0 "[ . 1 . 2]"
1 42 ALA 1.474 0.411 19 0 "[ . 1 . 2]"
1 43 GLU 0.136 0.082 16 0 "[ . 1 . 2]"
1 44 PHE 1.538 0.194 6 0 "[ . 1 . 2]"
1 49 ALA 1.538 0.194 6 0 "[ . 1 . 2]"
1 51 GLN 1.474 0.411 19 0 "[ . 1 . 2]"
1 53 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.046 0.044 6 0 "[ . 1 . 2]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLN 1.880 0.174 3 0 "[ . 1 . 2]"
1 57 THR 0.001 0.001 6 0 "[ . 1 . 2]"
1 58 VAL 0.100 0.055 18 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 1.880 0.174 3 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.055 0.055 18 0 "[ . 1 . 2]"
1 64 GLU 0.230 0.106 7 0 "[ . 1 . 2]"
1 66 GLY 0.292 0.248 16 0 "[ . 1 . 2]"
1 67 GLY 0.230 0.106 7 0 "[ . 1 . 2]"
1 68 TYR 0.875 0.188 10 0 "[ . 1 . 2]"
1 69 LEU 0.422 0.155 16 0 "[ . 1 . 2]"
1 70 PHE 0.288 0.190 17 0 "[ . 1 . 2]"
1 71 ARG 0.019 0.019 10 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.288 0.190 17 0 "[ . 1 . 2]"
1 80 MET 0.875 0.188 10 0 "[ . 1 . 2]"
1 81 SER 0.047 0.035 11 0 "[ . 1 . 2]"
1 82 LYS 0.179 0.077 3 0 "[ . 1 . 2]"
1 83 THR 0.826 0.134 15 0 "[ . 1 . 2]"
1 84 ALA 0.339 0.158 17 0 "[ . 1 . 2]"
1 85 PHE 0.251 0.079 6 0 "[ . 1 . 2]"
1 86 GLU 2.343 0.242 7 0 "[ . 1 . 2]"
1 87 ALA 0.826 0.134 15 0 "[ . 1 . 2]"
1 88 ASN 0.339 0.158 17 0 "[ . 1 . 2]"
1 89 TYR 0.204 0.079 6 0 "[ . 1 . 2]"
1 90 THR 2.164 0.242 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 35 ALA O 1 38 GLY H 2.200 . 2.700 2.196 1.825 2.720 0.020 17 0 "[ . 1 . 2]" 3
2 1 33 LYS O 1 41 ASN H 2.200 . 2.700 2.001 1.707 2.667 0.023 2 0 "[ . 1 . 2]" 3
3 1 33 LYS O 1 41 ASN N 3.200 2.516 3.927 2.885 2.653 3.358 . 0 0 "[ . 1 . 2]" 3
4 1 57 THR O 1 61 PHE H 2.200 . 2.700 1.973 1.885 2.074 . 0 0 "[ . 1 . 2]" 3
5 1 58 VAL O 1 62 LYS H 2.200 . 2.700 2.321 2.057 2.755 0.055 18 0 "[ . 1 . 2]" 3
6 1 64 GLU O 1 67 GLY H 2.200 . 2.700 2.437 1.926 2.806 0.106 7 0 "[ . 1 . 2]" 3
7 1 72 SER H 1 76 GLU O 2.200 . 2.700 2.092 1.784 2.623 . 0 0 "[ . 1 . 2]" 3
8 1 72 SER N 1 76 GLU O 3.200 2.516 3.927 2.982 2.747 3.408 . 0 0 "[ . 1 . 2]" 3
9 1 35 ALA O 1 38 GLY N 3.200 2.516 3.927 3.074 2.752 3.520 . 0 0 "[ . 1 . 2]" 3
10 1 33 LYS N 1 41 ASN O 3.200 2.516 3.927 2.844 2.681 3.138 . 0 0 "[ . 1 . 2]" 3
11 1 33 LYS H 1 41 ASN O 2.200 . 2.700 1.945 1.720 2.505 0.010 13 0 "[ . 1 . 2]" 3
12 1 64 GLU O 1 67 GLY N 3.200 2.516 3.927 3.370 2.782 3.753 . 0 0 "[ . 1 . 2]" 3
13 1 40 ALA O 1 53 MET N 3.200 2.516 3.927 2.931 2.684 3.625 . 0 0 "[ . 1 . 2]" 3
14 1 42 ALA O 1 51 GLN N 3.200 2.516 3.927 3.179 2.770 3.470 . 0 0 "[ . 1 . 2]" 3
15 1 42 ALA O 1 51 GLN H 3.200 2.516 3.927 2.533 2.105 3.141 0.411 19 0 "[ . 1 . 2]" 3
16 1 57 THR O 1 61 PHE N 3.200 2.516 3.927 2.839 2.717 2.974 . 0 0 "[ . 1 . 2]" 3
17 1 35 ALA N 1 39 SER O 3.200 2.516 3.927 2.919 2.736 3.363 . 0 0 "[ . 1 . 2]" 3
18 1 35 ALA H 1 39 SER O 2.200 . 2.700 2.019 1.801 2.510 . 0 0 "[ . 1 . 2]" 3
19 1 55 ALA O 1 59 ALA H 2.200 . 2.700 2.115 1.902 2.297 . 0 0 "[ . 1 . 2]" 3
20 1 55 ALA O 1 59 ALA N 3.200 2.516 3.927 2.831 2.715 2.986 . 0 0 "[ . 1 . 2]" 3
21 1 81 SER O 1 85 PHE H 2.200 . 2.700 2.215 1.737 2.735 0.035 11 0 "[ . 1 . 2]" 3
22 1 81 SER O 1 85 PHE N 3.200 2.516 3.927 3.158 2.705 3.654 . 0 0 "[ . 1 . 2]" 3
23 1 82 LYS O 1 86 GLU N 3.200 2.516 3.927 2.774 2.615 2.941 . 0 0 "[ . 1 . 2]" 3
24 1 82 LYS O 1 86 GLU H 2.200 . 2.700 1.822 1.653 2.034 0.077 3 0 "[ . 1 . 2]" 3
25 1 18 ASP H 1 22 VAL O 2.200 . 2.700 2.186 1.723 3.007 0.307 12 0 "[ . 1 . 2]" 3
26 1 18 ASP N 1 22 VAL O 3.200 2.516 3.927 2.945 2.656 3.588 . 0 0 "[ . 1 . 2]" 3
27 1 58 VAL O 1 62 LYS N 3.200 2.516 3.927 2.780 2.640 3.035 . 0 0 "[ . 1 . 2]" 3
28 1 25 SER H 1 71 ARG O 2.200 . 2.700 2.116 1.774 2.584 . 0 0 "[ . 1 . 2]" 3
29 1 54 SER O 1 57 THR H 2.200 . 2.700 2.271 2.160 2.701 0.001 6 0 "[ . 1 . 2]" 3
30 1 54 SER O 1 58 VAL H 2.200 . 2.700 1.865 1.686 2.061 0.044 6 0 "[ . 1 . 2]" 3
31 1 56 GLN O 1 60 VAL H 2.200 . 2.700 2.794 2.731 2.874 0.174 3 0 "[ . 1 . 2]" 3
32 1 29 ILE O 1 66 GLY H 2.200 . 2.700 2.425 1.942 2.948 0.248 16 0 "[ . 1 . 2]" 3
33 1 25 SER O 1 71 ARG H 2.200 . 2.700 2.068 1.782 2.719 0.019 10 0 "[ . 1 . 2]" 3
34 1 44 PHE H 1 49 ALA O 2.200 . 2.700 2.758 2.476 2.894 0.194 6 0 "[ . 1 . 2]" 3
35 1 44 PHE N 1 49 ALA O 3.200 2.516 3.927 3.556 3.153 3.739 . 0 0 "[ . 1 . 2]" 3
36 1 83 THR O 1 87 ALA H 2.200 . 2.700 2.692 2.415 2.834 0.134 15 0 "[ . 1 . 2]" 3
37 1 84 ALA O 1 88 ASN H 2.200 . 2.700 2.282 1.683 2.858 0.158 17 0 "[ . 1 . 2]" 3
38 1 85 PHE O 1 89 TYR H 2.200 . 2.700 2.186 1.722 2.779 0.079 6 0 "[ . 1 . 2]" 3
39 1 25 SER N 1 71 ARG O 3.200 2.516 3.927 2.992 2.708 3.393 . 0 0 "[ . 1 . 2]" 3
40 1 54 SER O 1 57 THR N 3.200 2.516 3.927 2.905 2.804 3.274 . 0 0 "[ . 1 . 2]" 3
41 1 54 SER O 1 58 VAL N 3.200 2.516 3.927 2.763 2.652 2.938 . 0 0 "[ . 1 . 2]" 3
42 1 56 GLN O 1 60 VAL N 3.200 2.516 3.927 3.625 3.556 3.721 . 0 0 "[ . 1 . 2]" 3
43 1 29 ILE O 1 66 GLY N 3.200 2.516 3.927 3.164 2.784 3.715 . 0 0 "[ . 1 . 2]" 3
44 1 27 LEU O 1 69 LEU H 2.200 . 2.900 2.112 1.689 3.055 0.155 16 0 "[ . 1 . 2]" 3
45 1 27 LEU O 1 69 LEU N 3.200 2.516 4.127 2.956 2.661 3.548 . 0 0 "[ . 1 . 2]" 3
46 1 25 SER O 1 71 ARG N 3.200 2.516 3.927 2.981 2.722 3.614 . 0 0 "[ . 1 . 2]" 3
47 1 83 THR O 1 87 ALA N 3.200 2.516 3.927 3.431 2.988 3.637 . 0 0 "[ . 1 . 2]" 3
48 1 84 ALA O 1 88 ASN N 3.200 2.516 3.927 3.080 2.619 3.760 . 0 0 "[ . 1 . 2]" 3
49 1 85 PHE O 1 89 TYR N 3.200 2.516 3.927 3.031 2.632 3.647 . 0 0 "[ . 1 . 2]" 3
50 1 68 TYR O 1 80 MET H 2.200 . 2.700 2.012 1.729 2.786 0.086 17 0 "[ . 1 . 2]" 3
51 1 68 TYR O 1 80 MET N 3.200 2.516 3.927 2.964 2.708 3.669 . 0 0 "[ . 1 . 2]" 3
52 1 68 TYR H 1 80 MET O 2.200 . 2.700 2.525 1.847 2.888 0.188 10 0 "[ . 1 . 2]" 3
53 1 68 TYR N 1 80 MET O 3.200 2.516 3.927 3.384 2.822 3.837 . 0 0 "[ . 1 . 2]" 3
54 1 16 TYR H 1 24 VAL O 2.200 . 2.700 2.466 1.733 2.811 0.111 10 0 "[ . 1 . 2]" 3
55 1 16 TYR O 1 24 VAL N 3.200 2.516 3.927 3.254 2.945 3.819 . 0 0 "[ . 1 . 2]" 3
56 1 31 ALA H 1 43 GLU O 2.200 . 2.700 2.421 2.000 2.782 0.082 16 0 "[ . 1 . 2]" 3
57 1 31 ALA N 1 43 GLU O 3.200 2.516 3.927 3.283 2.937 3.578 . 0 0 "[ . 1 . 2]" 3
58 1 27 LEU H 1 69 LEU O 2.200 . 2.700 1.772 1.676 2.035 0.054 1 0 "[ . 1 . 2]" 3
59 1 27 LEU N 1 69 LEU O 3.200 2.516 3.927 2.685 2.591 2.889 . 0 0 "[ . 1 . 2]" 3
60 1 42 ALA H 1 51 GLN O 2.200 . 2.700 1.989 1.718 2.762 0.062 11 0 "[ . 1 . 2]" 3
61 1 42 ALA N 1 51 GLN O 3.200 2.516 3.927 2.920 2.671 3.728 . 0 0 "[ . 1 . 2]" 3
62 1 70 PHE O 1 78 LEU H 2.200 . 2.700 2.367 1.872 2.735 0.035 6 0 "[ . 1 . 2]" 3
63 1 70 PHE O 1 78 LEU N 3.200 2.516 3.927 3.214 2.858 3.470 . 0 0 "[ . 1 . 2]" 3
64 1 70 PHE H 1 78 LEU O 2.200 . 2.700 2.144 1.778 2.890 0.190 17 0 "[ . 1 . 2]" 3
65 1 70 PHE N 1 78 LEU O 3.200 2.516 3.927 3.030 2.699 3.781 . 0 0 "[ . 1 . 2]" 3
66 1 86 GLU O 1 90 THR H 2.200 . 2.700 2.789 2.364 2.942 0.242 7 0 "[ . 1 . 2]" 3
67 1 86 GLU O 1 90 THR N 3.200 2.516 3.927 3.276 2.975 3.532 . 0 0 "[ . 1 . 2]" 3
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