NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406347 |
1xkm   |
6499 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xkm
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 502
_Distance_constraint_stats_list.Viol_count 629
_Distance_constraint_stats_list.Viol_total 19741.883
_Distance_constraint_stats_list.Viol_max 8.384
_Distance_constraint_stats_list.Viol_rms 0.5533
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0683
_Distance_constraint_stats_list.Viol_average_violations_only 1.3078
_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 2 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 ARG 0.067 0.067 1 0 "[ . 1 . 2 ]"
1 4 GLU 0.067 0.067 1 0 "[ . 1 . 2 ]"
1 5 VAL 0.546 0.546 1 1 "[+ . 1 . 2 ]"
1 6 PRO 0.521 0.337 1 0 "[ . 1 . 2 ]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 PHE 265.143 7.433 6 24 [**-**+******************]
1 10 THR 0.531 0.531 8 1 "[ . + 1 . 2 ]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 LEU 2.777 0.276 3 0 "[ . 1 . 2 ]"
1 13 ILE 175.244 8.384 16 24 [*******-*******+********]
1 14 LYS 0.070 0.070 8 0 "[ . 1 . 2 ]"
1 15 THR 2.570 0.276 3 0 "[ . 1 . 2 ]"
1 16 LEU 3.765 0.314 13 0 "[ . 1 . 2 ]"
1 17 ARG 5.104 0.594 8 2 "[- . + 1 . 2 ]"
1 18 LYS 4.668 1.239 9 1 "[ . +1 . 2 ]"
1 19 CYS 10.707 0.847 5 12 "[ *+* -1** *.****2 *]"
1 20 LYS 11.621 0.540 21 1 "[ . 1 . 2+ ]"
1 21 ILE 7.085 1.239 9 1 "[ . +1 . 2 ]"
1 22 ILE 16.583 0.594 8 3 "[- . + 1 . 2* ]"
2 1 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 2 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 3 VAL 0.966 0.470 11 0 "[ . 1 . 2 ]"
2 4 SER 2.055 0.470 11 0 "[ . 1 . 2 ]"
2 5 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 6 LEU 0.775 0.271 15 0 "[ . 1 . 2 ]"
2 7 ILE 6.203 0.408 21 0 "[ . 1 . 2 ]"
2 8 GLU 4.791 0.408 21 0 "[ . 1 . 2 ]"
2 9 ALA 0.760 0.292 17 0 "[ . 1 . 2 ]"
2 10 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 11 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 12 TYR 0.573 0.292 17 0 "[ . 1 . 2 ]"
2 13 LEU 3.262 0.651 18 4 "[ . *1- . *+ 2 ]"
2 14 GLU 3.198 0.651 18 4 "[ . *1- . *+ 2 ]"
2 15 GLN 0.030 0.030 19 0 "[ . 1 . 2 ]"
2 16 LEU 0.082 0.053 24 0 "[ . 1 . 2 ]"
2 17 HIS 3.431 0.349 23 0 "[ . 1 . 2 ]"
2 18 ARG 0.065 0.035 5 0 "[ . 1 . 2 ]"
2 19 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 20 LEU 1.443 0.296 3 0 "[ . 1 . 2 ]"
2 21 LYS 0.035 0.035 5 0 "[ . 1 . 2 ]"
2 22 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 23 CYS 10.787 0.847 5 12 "[ *+* -1** *.****2 *]"
2 24 LYS 0.107 0.042 23 0 "[ . 1 . 2 ]"
2 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 2 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 3 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 4 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 5 VAL 0.521 0.337 1 0 "[ . 1 . 2 ]"
3 6 PRO 0.546 0.546 1 1 "[+ . 1 . 2 ]"
3 7 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 8 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 9 PHE 0.625 0.350 8 0 "[ . 1 . 2 ]"
3 10 THR 0.879 0.356 24 0 "[ . 1 . 2 ]"
3 11 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 12 LEU 91.553 4.522 16 24 [**************-+********]
3 13 ILE 0.922 0.356 24 0 "[ . 1 . 2 ]"
3 14 LYS 0.043 0.043 24 0 "[ . 1 . 2 ]"
3 15 THR 2.627 0.266 17 0 "[ . 1 . 2 ]"
3 16 LEU 103.485 5.057 1 24 [+****************-******]
3 17 ARG 5.122 0.654 6 1 "[ .+ 1 . 2 ]"
3 18 LYS 6.050 1.390 2 2 "[*+ . 1 . 2 ]"
3 19 CYS 40.299 2.521 1 24 [+*******-***************]
3 20 LYS 11.161 0.463 9 0 "[ . 1 . 2 ]"
3 21 ILE 8.474 1.390 2 2 "[*+ . 1 . 2 ]"
3 22 ILE 14.993 0.654 6 1 "[ .+ 1 . 2 ]"
4 1 ASN 0.438 0.102 3 0 "[ . 1 . 2 ]"
4 2 LEU 0.438 0.102 3 0 "[ . 1 . 2 ]"
4 3 VAL 2.224 0.565 18 2 "[ . 1 -. + 2 ]"
4 4 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 5 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 6 LEU 3.061 0.565 18 2 "[ . 1 -. + 2 ]"
4 7 ILE 0.288 0.258 14 0 "[ . 1 . 2 ]"
4 8 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 9 ALA 0.579 0.355 14 0 "[ . 1 . 2 ]"
4 10 ARG 0.137 0.121 12 0 "[ . 1 . 2 ]"
4 11 LYS 588.989 8.384 16 24 [***************+*****-**]
4 12 TYR 65.543 2.580 20 24 [*******************+*-**]
4 13 LEU 0.189 0.163 24 0 "[ . 1 . 2 ]"
4 14 GLU 0.035 0.035 23 0 "[ . 1 . 2 ]"
4 15 GLN 1.766 0.341 16 0 "[ . 1 . 2 ]"
4 16 LEU 0.189 0.163 24 0 "[ . 1 . 2 ]"
4 17 HIS 0.035 0.035 23 0 "[ . 1 . 2 ]"
4 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 19 LYS 100.141 5.057 1 24 [+****************-******]
4 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 21 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 22 ASN 40.146 2.521 1 24 [+*******-***************]
4 23 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
4 24 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASN HA 1 3 ARG H . . 5.000 2.707 2.129 3.626 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 ARG HA 1 4 GLU H . . 4.000 2.828 2.091 3.614 . 0 0 "[ . 1 . 2 ]" 1
3 1 3 ARG QB 1 4 GLU H . . 4.000 3.058 2.081 4.067 0.067 1 0 "[ . 1 . 2 ]" 1
4 1 4 GLU H 1 5 VAL H . . 6.000 3.900 2.694 4.652 . 0 0 "[ . 1 . 2 ]" 1
5 1 4 GLU HA 1 5 VAL H . . 4.000 2.901 2.169 3.639 . 0 0 "[ . 1 . 2 ]" 1
6 1 4 GLU QB 1 5 VAL H . . 4.500 2.721 1.891 4.069 . 0 0 "[ . 1 . 2 ]" 1
7 1 4 GLU QG 1 5 VAL H . . 5.000 3.790 2.385 4.476 . 0 0 "[ . 1 . 2 ]" 1
8 1 5 VAL H 1 6 PRO QD . . 7.000 4.055 2.767 4.515 . 0 0 "[ . 1 . 2 ]" 1
9 1 5 VAL HA 1 6 PRO QB . . 5.000 4.596 4.478 4.727 . 0 0 "[ . 1 . 2 ]" 1
10 1 5 VAL HA 1 6 PRO QD . . 4.000 2.106 2.052 2.297 . 0 0 "[ . 1 . 2 ]" 1
11 1 5 VAL HA 3 6 PRO QB . . 5.500 4.670 3.682 6.046 0.546 1 1 "[+ . 1 . 2 ]" 1
12 1 5 VAL QG 1 9 PHE QD . . 4.000 2.291 2.139 2.794 . 0 0 "[ . 1 . 2 ]" 1
13 1 6 PRO HA 1 7 PRO QD . . 4.000 2.136 2.072 2.231 . 0 0 "[ . 1 . 2 ]" 1
14 1 6 PRO QB 1 7 PRO QD . . 6.000 2.593 2.240 3.042 . 0 0 "[ . 1 . 2 ]" 1
15 1 6 PRO QB 1 9 PHE H . . 5.000 3.529 2.971 3.997 . 0 0 "[ . 1 . 2 ]" 1
16 1 6 PRO QB 1 9 PHE QB . . 6.500 4.362 3.859 4.817 . 0 0 "[ . 1 . 2 ]" 1
17 1 6 PRO QB 3 5 VAL HA . . 5.500 4.848 3.933 5.837 0.337 1 0 "[ . 1 . 2 ]" 1
18 1 6 PRO QD 1 9 PHE H . . 5.000 3.813 3.357 4.331 . 0 0 "[ . 1 . 2 ]" 1
19 1 6 PRO QG 1 9 PHE H . . 4.000 2.488 2.124 2.960 . 0 0 "[ . 1 . 2 ]" 1
20 1 6 PRO QG 1 9 PHE QB . . 6.000 2.819 2.223 3.526 . 0 0 "[ . 1 . 2 ]" 1
21 1 7 PRO HA 1 9 PHE H . . 6.500 3.894 3.713 4.125 . 0 0 "[ . 1 . 2 ]" 1
22 1 7 PRO HA 1 10 THR HB . . 3.800 3.103 2.716 3.417 . 0 0 "[ . 1 . 2 ]" 1
23 1 7 PRO HA 1 10 THR MG . . 6.000 4.368 3.977 4.609 . 0 0 "[ . 1 . 2 ]" 1
24 1 7 PRO HA 1 11 ALA H . . 6.000 4.114 3.959 4.233 . 0 0 "[ . 1 . 2 ]" 1
25 1 7 PRO QD 1 8 GLY H . . 6.500 2.835 2.614 3.073 . 0 0 "[ . 1 . 2 ]" 1
26 1 8 GLY H 1 9 PHE H . . 7.000 2.977 2.886 3.063 . 0 0 "[ . 1 . 2 ]" 1
27 1 8 GLY QA 1 9 PHE H . . 4.000 2.809 2.768 2.851 . 0 0 "[ . 1 . 2 ]" 1
28 1 8 GLY QA 1 11 ALA H . . 4.000 3.471 3.294 3.586 . 0 0 "[ . 1 . 2 ]" 1
29 1 8 GLY QA 1 11 ALA MB . . 4.000 2.411 2.298 2.598 . 0 0 "[ . 1 . 2 ]" 1
30 1 9 PHE H 1 10 THR H . . 4.000 2.710 2.587 2.780 . 0 0 "[ . 1 . 2 ]" 1
31 1 9 PHE H 1 11 ALA H . . 6.500 4.075 3.946 4.217 . 0 0 "[ . 1 . 2 ]" 1
32 1 9 PHE HA 1 10 THR H . . 4.000 3.615 3.570 3.631 . 0 0 "[ . 1 . 2 ]" 1
33 1 9 PHE HA 1 12 LEU H . . 4.000 3.494 3.271 3.689 . 0 0 "[ . 1 . 2 ]" 1
34 1 9 PHE HA 1 12 LEU QB . . 4.000 2.524 2.321 2.735 . 0 0 "[ . 1 . 2 ]" 1
35 1 9 PHE HA 1 12 LEU QD . . 4.500 3.300 2.946 3.675 . 0 0 "[ . 1 . 2 ]" 1
36 1 9 PHE HA 3 9 PHE QD . . 6.500 4.588 4.028 5.051 . 0 0 "[ . 1 . 2 ]" 1
37 1 9 PHE HA 3 9 PHE QE . . 4.800 4.097 3.499 4.511 . 0 0 "[ . 1 . 2 ]" 1
38 1 9 PHE QB 1 10 THR H . . 4.000 2.492 2.370 2.719 . 0 0 "[ . 1 . 2 ]" 1
39 1 9 PHE QB 1 12 LEU H . . 6.500 5.028 4.909 5.150 . 0 0 "[ . 1 . 2 ]" 1
40 1 9 PHE QB 3 9 PHE QD . . 5.800 4.022 3.178 4.522 . 0 0 "[ . 1 . 2 ]" 1
41 1 9 PHE QB 3 9 PHE QE . . 5.800 4.636 4.027 5.016 . 0 0 "[ . 1 . 2 ]" 1
42 1 9 PHE QB 3 9 PHE HZ . . 6.500 5.940 5.427 6.422 . 0 0 "[ . 1 . 2 ]" 1
43 1 9 PHE QD 1 12 LEU QD . . 6.500 3.207 2.925 3.756 . 0 0 "[ . 1 . 2 ]" 1
44 1 9 PHE QD 3 9 PHE HA . . 6.500 4.674 4.306 5.234 . 0 0 "[ . 1 . 2 ]" 1
45 1 9 PHE QD 3 9 PHE QB . . 5.800 4.090 3.494 4.547 . 0 0 "[ . 1 . 2 ]" 1
46 1 9 PHE QD 3 13 ILE MD . . 6.500 4.653 4.005 5.488 . 0 0 "[ . 1 . 2 ]" 1
47 1 9 PHE QD 4 11 LYS QE . . 6.500 11.157 9.351 12.581 6.081 17 24 [****************+*-*****] 1
48 1 9 PHE QE 1 10 THR HA . . 6.500 4.616 3.960 4.991 . 0 0 "[ . 1 . 2 ]" 1
49 1 9 PHE QE 1 12 LEU QB . . 6.500 4.865 4.474 5.401 . 0 0 "[ . 1 . 2 ]" 1
50 1 9 PHE QE 3 9 PHE HA . . 4.800 4.213 3.518 5.150 0.350 8 0 "[ . 1 . 2 ]" 1
51 1 9 PHE QE 3 9 PHE QB . . 5.800 4.694 3.918 5.399 . 0 0 "[ . 1 . 2 ]" 1
52 1 9 PHE QE 4 11 LYS QE . . 4.000 10.201 8.695 11.433 7.433 6 24 [*****+************-*****] 1
53 1 9 PHE QE 4 12 TYR QB . . 4.000 3.944 3.117 5.262 1.262 13 2 "[ - . 1 + . 2 ]" 1
54 1 9 PHE HZ 1 13 ILE MD . . 4.000 3.106 2.651 3.772 . 0 0 "[ . 1 . 2 ]" 1
55 1 9 PHE HZ 3 9 PHE QB . . 6.500 5.963 5.403 6.665 0.165 18 0 "[ . 1 . 2 ]" 1
56 1 10 THR H 1 11 ALA H . . 4.000 2.802 2.562 2.932 . 0 0 "[ . 1 . 2 ]" 1
57 1 10 THR H 1 11 ALA MB . . 5.000 4.415 4.204 4.509 . 0 0 "[ . 1 . 2 ]" 1
58 1 10 THR HA 1 11 ALA H . . 4.000 3.583 3.556 3.598 . 0 0 "[ . 1 . 2 ]" 1
59 1 10 THR HA 1 13 ILE H . . 4.000 3.579 3.445 3.838 . 0 0 "[ . 1 . 2 ]" 1
60 1 10 THR HA 1 13 ILE HB . . 4.000 2.771 2.496 4.531 0.531 8 1 "[ . + 1 . 2 ]" 1
61 1 10 THR HB 1 11 ALA H . . 4.000 2.501 2.405 2.613 . 0 0 "[ . 1 . 2 ]" 1
62 1 10 THR MG 1 11 ALA H . . 4.000 3.627 3.522 3.770 . 0 0 "[ . 1 . 2 ]" 1
63 1 10 THR MG 1 11 ALA HA . . 6.500 3.925 3.754 4.181 . 0 0 "[ . 1 . 2 ]" 1
64 1 11 ALA H 1 12 LEU H . . 4.000 2.841 2.783 2.885 . 0 0 "[ . 1 . 2 ]" 1
65 1 11 ALA HA 1 12 LEU H . . 4.500 3.612 3.597 3.630 . 0 0 "[ . 1 . 2 ]" 1
66 1 11 ALA HA 1 14 LYS H . . 4.000 3.543 3.335 3.796 . 0 0 "[ . 1 . 2 ]" 1
67 1 11 ALA HA 1 14 LYS QB . . 4.000 2.602 2.368 2.880 . 0 0 "[ . 1 . 2 ]" 1
68 1 11 ALA MB 1 12 LEU H . . 4.000 2.480 2.369 2.667 . 0 0 "[ . 1 . 2 ]" 1
69 1 11 ALA MB 1 12 LEU HA . . 5.000 4.010 3.891 4.167 . 0 0 "[ . 1 . 2 ]" 1
70 1 12 LEU H 1 13 ILE H . . 4.000 2.952 2.889 3.028 . 0 0 "[ . 1 . 2 ]" 1
71 1 12 LEU H 1 14 LYS H . . 6.500 4.408 4.255 4.519 . 0 0 "[ . 1 . 2 ]" 1
72 1 12 LEU HA 1 13 ILE H . . 4.000 3.622 3.606 3.638 . 0 0 "[ . 1 . 2 ]" 1
73 1 12 LEU HA 1 15 THR H . . 4.000 3.702 3.560 3.975 . 0 0 "[ . 1 . 2 ]" 1
74 1 12 LEU HA 1 15 THR HB . . 4.500 4.107 2.602 4.776 0.276 3 0 "[ . 1 . 2 ]" 1
75 1 12 LEU QB 1 13 ILE H . . 4.000 2.448 2.318 2.580 . 0 0 "[ . 1 . 2 ]" 1
76 1 12 LEU QB 2 17 HIS HD2 . . 5.000 3.846 2.687 5.207 0.207 5 0 "[ . 1 . 2 ]" 1
77 1 12 LEU QD 1 13 ILE H . . 4.500 3.002 2.721 3.487 . 0 0 "[ . 1 . 2 ]" 1
78 1 12 LEU QD 2 12 TYR QE . . 6.500 4.444 3.674 5.117 . 0 0 "[ . 1 . 2 ]" 1
79 1 12 LEU QD 2 16 LEU HA . . 6.500 4.437 4.084 4.638 . 0 0 "[ . 1 . 2 ]" 1
80 1 12 LEU QD 2 16 LEU QD . . 5.000 2.279 1.990 2.705 . 0 0 "[ . 1 . 2 ]" 1
81 1 12 LEU QD 3 12 LEU QD . . 6.500 3.642 3.376 4.036 . 0 0 "[ . 1 . 2 ]" 1
82 1 12 LEU QD 3 13 ILE MD . . 4.500 2.393 1.976 3.084 . 0 0 "[ . 1 . 2 ]" 1
83 1 13 ILE H 1 14 LYS H . . 4.000 2.941 2.797 3.000 . 0 0 "[ . 1 . 2 ]" 1
84 1 13 ILE HA 1 14 LYS H . . 4.500 3.606 3.584 3.629 . 0 0 "[ . 1 . 2 ]" 1
85 1 13 ILE HA 1 16 LEU H . . 4.000 3.479 2.881 3.815 . 0 0 "[ . 1 . 2 ]" 1
86 1 13 ILE HA 1 16 LEU QB . . 4.000 2.444 2.225 2.635 . 0 0 "[ . 1 . 2 ]" 1
87 1 13 ILE HB 1 14 LYS H . . 4.000 2.702 2.522 4.070 0.070 8 0 "[ . 1 . 2 ]" 1
88 1 13 ILE MD 1 14 LYS H . . 6.500 4.843 4.793 4.926 . 0 0 "[ . 1 . 2 ]" 1
89 1 13 ILE MD 1 16 LEU H . . 6.500 5.042 4.190 5.392 . 0 0 "[ . 1 . 2 ]" 1
90 1 13 ILE MD 3 9 PHE QD . . 6.500 4.725 3.728 5.720 . 0 0 "[ . 1 . 2 ]" 1
91 1 13 ILE MD 3 12 LEU QD . . 4.500 2.376 1.984 2.912 . 0 0 "[ . 1 . 2 ]" 1
92 1 13 ILE MD 3 13 ILE MD . . 6.500 3.977 2.996 4.817 . 0 0 "[ . 1 . 2 ]" 1
93 1 13 ILE MD 4 11 LYS QE . . 5.000 12.277 10.313 13.384 8.384 16 24 [**************-+********] 1
94 1 13 ILE QG 1 14 LYS H . . 5.000 4.200 4.137 4.280 . 0 0 "[ . 1 . 2 ]" 1
95 1 13 ILE MG 1 14 LYS H . . 4.000 3.099 2.336 3.550 . 0 0 "[ . 1 . 2 ]" 1
96 1 14 LYS H 1 15 THR H . . 4.000 2.901 2.755 2.974 . 0 0 "[ . 1 . 2 ]" 1
97 1 14 LYS H 1 16 LEU H . . 6.500 4.240 4.095 4.401 . 0 0 "[ . 1 . 2 ]" 1
98 1 14 LYS HA 1 15 THR H . . 4.000 3.600 3.570 3.644 . 0 0 "[ . 1 . 2 ]" 1
99 1 14 LYS HA 1 17 ARG H . . 4.500 3.638 3.296 3.786 . 0 0 "[ . 1 . 2 ]" 1
100 1 14 LYS HA 1 17 ARG QB . . 6.100 2.702 2.359 2.990 . 0 0 "[ . 1 . 2 ]" 1
101 1 14 LYS QB 1 15 THR H . . 6.100 2.438 2.338 2.659 . 0 0 "[ . 1 . 2 ]" 1
102 1 15 THR H 1 16 LEU H . . 4.000 2.783 2.695 2.891 . 0 0 "[ . 1 . 2 ]" 1
103 1 15 THR H 1 17 ARG H . . 6.000 4.402 4.192 4.536 . 0 0 "[ . 1 . 2 ]" 1
104 1 15 THR HA 1 16 LEU H . . 4.000 3.566 3.517 3.602 . 0 0 "[ . 1 . 2 ]" 1
105 1 15 THR HA 1 18 LYS H . . 4.000 3.344 3.020 3.658 . 0 0 "[ . 1 . 2 ]" 1
106 1 15 THR HA 1 18 LYS QB . . 6.100 2.432 2.169 2.764 . 0 0 "[ . 1 . 2 ]" 1
107 1 15 THR HB 1 16 LEU H . . 4.000 3.431 2.596 3.989 . 0 0 "[ . 1 . 2 ]" 1
108 1 15 THR MG 2 18 ARG HA . . 6.500 5.134 4.663 6.214 . 0 0 "[ . 1 . 2 ]" 1
109 1 16 LEU H 1 17 ARG H . . 4.000 2.830 2.690 3.029 . 0 0 "[ . 1 . 2 ]" 1
110 1 16 LEU H 1 17 ARG HA . . 6.500 5.431 5.324 5.584 . 0 0 "[ . 1 . 2 ]" 1
111 1 16 LEU H 1 18 LYS H . . 6.500 4.207 4.024 4.390 . 0 0 "[ . 1 . 2 ]" 1
112 1 16 LEU HA 1 17 ARG H . . 4.000 3.597 3.563 3.624 . 0 0 "[ . 1 . 2 ]" 1
113 1 16 LEU HA 1 19 CYS H . . 4.000 3.581 3.189 3.755 . 0 0 "[ . 1 . 2 ]" 1
114 1 16 LEU HA 1 19 CYS QB . . 6.000 2.624 2.265 3.117 . 0 0 "[ . 1 . 2 ]" 1
115 1 16 LEU QB 1 17 ARG H . . 4.000 2.375 2.274 2.701 . 0 0 "[ . 1 . 2 ]" 1
116 1 16 LEU QD 1 17 ARG H . . 4.500 3.152 2.898 3.511 . 0 0 "[ . 1 . 2 ]" 1
117 1 16 LEU QD 2 20 LEU QD . . 5.000 2.307 1.986 2.688 . 0 0 "[ . 1 . 2 ]" 1
118 1 16 LEU QD 3 16 LEU QD . . 4.000 1.983 1.706 2.316 . 0 0 "[ . 1 . 2 ]" 1
119 1 16 LEU HG 1 17 ARG H . . 4.500 4.584 4.392 4.814 0.314 13 0 "[ . 1 . 2 ]" 1
120 1 16 LEU HG 2 20 LEU HA . . 6.000 5.939 5.563 6.296 0.296 3 0 "[ . 1 . 2 ]" 1
121 1 17 ARG H 1 18 LYS H . . 4.000 2.892 2.790 2.997 . 0 0 "[ . 1 . 2 ]" 1
122 1 17 ARG HA 1 18 LYS H . . 4.000 3.609 3.588 3.638 . 0 0 "[ . 1 . 2 ]" 1
123 1 17 ARG HA 1 20 LYS H . . 4.000 3.687 3.391 4.105 0.105 21 0 "[ . 1 . 2 ]" 1
124 1 17 ARG HA 1 22 ILE H . . 5.500 5.221 2.459 6.094 0.594 8 2 "[- . + 1 . 2 ]" 1
125 1 17 ARG QB 1 18 LYS H . . 4.000 2.570 2.374 2.786 . 0 0 "[ . 1 . 2 ]" 1
126 1 18 LYS H 1 19 CYS H . . 4.000 2.947 2.835 3.044 . 0 0 "[ . 1 . 2 ]" 1
127 1 18 LYS HA 1 19 CYS H . . 4.000 3.608 3.541 3.650 . 0 0 "[ . 1 . 2 ]" 1
128 1 18 LYS HA 1 21 ILE H . . 5.000 3.728 3.292 5.765 0.765 9 1 "[ . +1 . 2 ]" 1
129 1 18 LYS HA 1 21 ILE HB . . 6.500 6.621 6.238 7.739 1.239 9 1 "[ . +1 . 2 ]" 1
130 1 18 LYS QB 1 19 CYS H . . 4.000 2.403 2.228 2.765 . 0 0 "[ . 1 . 2 ]" 1
131 1 19 CYS H 1 20 LYS H . . 4.000 2.898 2.726 3.050 . 0 0 "[ . 1 . 2 ]" 1
132 1 19 CYS H 2 23 CYS H . . 6.500 6.937 6.365 7.347 0.847 5 12 "[ *+* -1** *.****2 *]" 1
133 1 19 CYS HA 1 20 LYS H . . 4.000 3.563 3.304 3.613 . 0 0 "[ . 1 . 2 ]" 1
134 1 19 CYS HA 1 21 ILE MD . . 5.000 4.161 3.564 5.027 0.027 21 0 "[ . 1 . 2 ]" 1
135 1 19 CYS QB 1 20 LYS H . . 5.000 2.554 2.307 3.599 . 0 0 "[ . 1 . 2 ]" 1
136 1 19 CYS QB 1 21 ILE H . . 5.000 4.499 3.496 4.669 . 0 0 "[ . 1 . 2 ]" 1
137 1 20 LYS H 1 21 ILE H . . 4.000 2.690 2.493 2.874 . 0 0 "[ . 1 . 2 ]" 1
138 1 20 LYS H 1 22 ILE H . . 5.000 5.129 4.277 5.540 0.540 21 1 "[ . 1 . 2+ ]" 1
139 1 20 LYS HA 1 21 ILE H . . 4.000 3.380 3.021 3.549 . 0 0 "[ . 1 . 2 ]" 1
140 1 20 LYS HA 1 22 ILE H . . 4.000 4.303 4.100 4.399 0.399 14 0 "[ . 1 . 2 ]" 1
141 1 20 LYS QB 1 21 ILE H . . 4.000 3.327 2.767 3.846 . 0 0 "[ . 1 . 2 ]" 1
142 1 21 ILE H 1 22 ILE H . . 3.800 3.584 2.407 3.796 . 0 0 "[ . 1 . 2 ]" 1
143 1 21 ILE HA 1 22 ILE H . . 4.000 3.569 3.559 3.594 . 0 0 "[ . 1 . 2 ]" 1
144 1 21 ILE HB 1 22 ILE H . . 4.000 2.471 2.352 2.630 . 0 0 "[ . 1 . 2 ]" 1
145 1 21 ILE HB 1 22 ILE HA . . 4.500 4.577 4.212 4.832 0.332 20 0 "[ . 1 . 2 ]" 1
146 1 21 ILE MD 1 22 ILE H . . 5.500 4.639 4.456 4.798 . 0 0 "[ . 1 . 2 ]" 1
147 1 21 ILE QG 1 22 ILE H . . 4.000 3.904 3.835 4.019 0.019 6 0 "[ . 1 . 2 ]" 1
148 1 21 ILE QG 1 22 ILE HA . . 6.500 5.975 5.754 6.094 . 0 0 "[ . 1 . 2 ]" 1
149 2 1 ASN HA 2 2 LEU H . . 4.000 2.795 2.152 3.610 . 0 0 "[ . 1 . 2 ]" 1
150 2 2 LEU HA 2 3 VAL H . . 4.000 3.291 2.126 3.619 . 0 0 "[ . 1 . 2 ]" 1
151 2 2 LEU QB 2 3 VAL H . . 4.000 2.626 1.898 3.919 . 0 0 "[ . 1 . 2 ]" 1
152 2 3 VAL HA 2 4 SER H . . 4.000 3.244 2.184 3.633 . 0 0 "[ . 1 . 2 ]" 1
153 2 3 VAL HB 2 4 SER H . . 4.000 3.365 2.157 4.470 0.470 11 0 "[ . 1 . 2 ]" 1
154 2 4 SER HA 2 5 GLY H . . 6.500 3.204 2.214 3.645 . 0 0 "[ . 1 . 2 ]" 1
155 2 4 SER HA 2 7 ILE H . . 7.000 5.128 3.641 7.370 0.370 17 0 "[ . 1 . 2 ]" 1
156 2 4 SER QB 2 5 GLY H . . 4.000 3.124 2.140 3.963 . 0 0 "[ . 1 . 2 ]" 1
157 2 5 GLY H 2 6 LEU H . . 5.000 3.106 1.927 3.827 . 0 0 "[ . 1 . 2 ]" 1
158 2 5 GLY QA 2 6 LEU H . . 4.000 2.621 2.369 2.908 . 0 0 "[ . 1 . 2 ]" 1
159 2 5 GLY QA 2 8 GLU H . . 4.000 3.642 3.060 3.967 . 0 0 "[ . 1 . 2 ]" 1
160 2 6 LEU H 2 7 ILE H . . 4.000 3.203 2.572 4.271 0.271 15 0 "[ . 1 . 2 ]" 1
161 2 6 LEU H 2 8 GLU H . . 6.500 4.438 3.833 4.811 . 0 0 "[ . 1 . 2 ]" 1
162 2 6 LEU HA 2 7 ILE H . . 5.000 3.619 3.545 3.661 . 0 0 "[ . 1 . 2 ]" 1
163 2 6 LEU HA 2 9 ALA H . . 4.000 3.796 3.302 4.183 0.183 15 0 "[ . 1 . 2 ]" 1
164 2 6 LEU QB 2 7 ILE H . . 4.000 2.375 2.050 3.474 . 0 0 "[ . 1 . 2 ]" 1
165 2 6 LEU QD 3 5 VAL QG . . 6.000 3.005 1.974 4.205 . 0 0 "[ . 1 . 2 ]" 1
166 2 6 LEU MD1 2 7 ILE H . . 5.000 4.230 3.726 4.533 . 0 0 "[ . 1 . 2 ]" 1
167 2 6 LEU MD2 2 7 ILE H . . 4.500 3.635 2.126 4.684 0.184 18 0 "[ . 1 . 2 ]" 1
168 2 7 ILE H 2 8 GLU H . . 4.000 2.828 2.721 2.939 . 0 0 "[ . 1 . 2 ]" 1
169 2 7 ILE HA 2 8 GLU H . . 4.000 3.575 3.545 3.609 . 0 0 "[ . 1 . 2 ]" 1
170 2 7 ILE HA 2 10 ARG H . . 4.000 3.509 3.275 3.739 . 0 0 "[ . 1 . 2 ]" 1
171 2 7 ILE HA 2 10 ARG QB . . 6.100 2.602 2.272 4.210 . 0 0 "[ . 1 . 2 ]" 1
172 2 7 ILE HB 2 8 GLU H . . 4.000 3.884 3.768 4.096 0.096 21 0 "[ . 1 . 2 ]" 1
173 2 7 ILE HB 2 8 GLU HA . . 4.500 4.690 4.592 4.908 0.408 21 0 "[ . 1 . 2 ]" 1
174 2 7 ILE MD 2 8 GLU H . . 4.500 3.445 2.018 4.069 . 0 0 "[ . 1 . 2 ]" 1
175 2 7 ILE QG 2 8 GLU HA . . 4.000 3.541 3.421 3.748 . 0 0 "[ . 1 . 2 ]" 1
176 2 7 ILE MG 2 8 GLU H . . 6.500 4.043 3.976 4.143 . 0 0 "[ . 1 . 2 ]" 1
177 2 8 GLU H 2 9 ALA H . . 4.000 2.722 2.465 2.962 . 0 0 "[ . 1 . 2 ]" 1
178 2 8 GLU HA 2 9 ALA H . . 4.000 3.591 3.560 3.637 . 0 0 "[ . 1 . 2 ]" 1
179 2 8 GLU HA 2 11 LYS H . . 4.000 3.555 3.169 3.887 . 0 0 "[ . 1 . 2 ]" 1
180 2 8 GLU HA 2 11 LYS QB . . 4.000 2.631 2.315 2.948 . 0 0 "[ . 1 . 2 ]" 1
181 2 8 GLU HA 2 12 TYR H . . 4.000 3.859 3.683 4.079 0.079 13 0 "[ . 1 . 2 ]" 1
182 2 8 GLU QB 2 9 ALA H . . 4.000 2.453 2.271 2.688 . 0 0 "[ . 1 . 2 ]" 1
183 2 8 GLU QG 2 9 ALA H . . 5.000 3.768 3.171 4.458 . 0 0 "[ . 1 . 2 ]" 1
184 2 9 ALA H 2 10 ARG H . . 4.000 2.830 2.752 3.015 . 0 0 "[ . 1 . 2 ]" 1
185 2 9 ALA H 2 11 LYS H . . 6.500 4.347 4.138 4.553 . 0 0 "[ . 1 . 2 ]" 1
186 2 9 ALA HA 2 10 ARG H . . 4.000 3.594 3.563 3.644 . 0 0 "[ . 1 . 2 ]" 1
187 2 9 ALA HA 2 12 TYR H . . 4.000 3.659 3.365 3.879 . 0 0 "[ . 1 . 2 ]" 1
188 2 9 ALA HA 2 12 TYR QB . . 4.000 2.718 2.343 4.292 0.292 17 0 "[ . 1 . 2 ]" 1
189 2 9 ALA MB 2 10 ARG H . . 4.000 2.480 2.305 2.571 . 0 0 "[ . 1 . 2 ]" 1
190 2 10 ARG H 2 11 LYS H . . 4.000 2.855 2.784 2.933 . 0 0 "[ . 1 . 2 ]" 1
191 2 10 ARG HA 2 11 LYS H . . 4.000 3.620 3.590 3.639 . 0 0 "[ . 1 . 2 ]" 1
192 2 10 ARG HA 2 13 LEU H . . 4.500 3.583 3.192 3.775 . 0 0 "[ . 1 . 2 ]" 1
193 2 10 ARG HA 2 13 LEU QB . . 6.100 2.438 2.206 2.721 . 0 0 "[ . 1 . 2 ]" 1
194 2 10 ARG QB 2 11 LYS H . . 6.100 2.575 2.386 3.662 . 0 0 "[ . 1 . 2 ]" 1
195 2 11 LYS H 2 12 TYR H . . 4.000 2.872 2.774 2.970 . 0 0 "[ . 1 . 2 ]" 1
196 2 11 LYS HA 2 12 TYR H . . 4.000 3.607 3.576 3.658 . 0 0 "[ . 1 . 2 ]" 1
197 2 11 LYS HA 2 14 GLU H . . 4.000 3.652 3.385 3.853 . 0 0 "[ . 1 . 2 ]" 1
198 2 11 LYS HA 2 14 GLU QB . . 6.100 2.674 2.373 3.063 . 0 0 "[ . 1 . 2 ]" 1
199 2 11 LYS QB 2 12 TYR H . . 6.100 2.482 2.344 2.644 . 0 0 "[ . 1 . 2 ]" 1
200 2 11 LYS QB 2 12 TYR HA . . 4.500 4.098 3.851 4.394 . 0 0 "[ . 1 . 2 ]" 1
201 2 12 TYR H 2 12 TYR QD . . 5.000 4.056 3.194 4.205 . 0 0 "[ . 1 . 2 ]" 1
202 2 12 TYR H 2 13 LEU H . . 4.000 2.925 2.737 3.032 . 0 0 "[ . 1 . 2 ]" 1
203 2 12 TYR HA 2 12 TYR QD . . 3.800 2.885 2.465 3.624 . 0 0 "[ . 1 . 2 ]" 1
204 2 12 TYR HA 2 13 LEU H . . 4.000 3.600 3.576 3.621 . 0 0 "[ . 1 . 2 ]" 1
205 2 12 TYR HA 2 15 GLN H . . 4.000 3.658 3.102 3.969 . 0 0 "[ . 1 . 2 ]" 1
206 2 12 TYR HA 2 15 GLN QB . . 4.000 2.746 2.285 3.086 . 0 0 "[ . 1 . 2 ]" 1
207 2 12 TYR QB 2 13 LEU H . . 4.000 2.553 2.316 3.687 . 0 0 "[ . 1 . 2 ]" 1
208 2 12 TYR QD 2 13 LEU H . . 5.000 3.043 2.758 3.505 . 0 0 "[ . 1 . 2 ]" 1
209 2 12 TYR QD 2 13 LEU HA . . 4.000 3.494 3.217 3.993 . 0 0 "[ . 1 . 2 ]" 1
210 2 12 TYR QD 2 15 GLN QB . . 6.500 4.514 4.095 5.324 . 0 0 "[ . 1 . 2 ]" 1
211 2 12 TYR QE 2 13 LEU HA . . 7.000 4.437 3.882 4.972 . 0 0 "[ . 1 . 2 ]" 1
212 2 12 TYR QE 2 16 LEU QD . . 5.000 2.672 2.385 3.066 . 0 0 "[ . 1 . 2 ]" 1
213 2 12 TYR QE 3 9 PHE QD . . 6.500 4.412 2.946 5.470 . 0 0 "[ . 1 . 2 ]" 1
214 2 12 TYR QE 3 9 PHE QE . . 4.000 3.053 2.635 3.728 . 0 0 "[ . 1 . 2 ]" 1
215 2 12 TYR QE 3 13 ILE MD . . 5.000 3.725 2.714 4.792 . 0 0 "[ . 1 . 2 ]" 1
216 2 13 LEU H 2 14 GLU H . . 4.000 2.972 2.876 3.032 . 0 0 "[ . 1 . 2 ]" 1
217 2 13 LEU HA 2 14 GLU H . . 4.000 3.599 3.567 3.622 . 0 0 "[ . 1 . 2 ]" 1
218 2 13 LEU HA 2 16 LEU H . . 4.000 3.883 3.768 4.053 0.053 24 0 "[ . 1 . 2 ]" 1
219 2 13 LEU HA 2 16 LEU QB . . 4.000 2.906 2.740 3.046 . 0 0 "[ . 1 . 2 ]" 1
220 2 13 LEU QB 2 14 GLU H . . 6.100 2.370 2.208 2.472 . 0 0 "[ . 1 . 2 ]" 1
221 2 13 LEU QB 3 9 PHE QE . . 4.000 2.742 2.270 3.610 . 0 0 "[ . 1 . 2 ]" 1
222 2 13 LEU HG 2 14 GLU H . . 4.000 3.570 3.007 4.651 0.651 18 4 "[ . *1- . *+ 2 ]" 1
223 2 14 GLU H 2 15 GLN H . . 4.000 2.913 2.773 3.027 . 0 0 "[ . 1 . 2 ]" 1
224 2 14 GLU H 2 16 LEU H . . 6.500 4.423 4.218 4.599 . 0 0 "[ . 1 . 2 ]" 1
225 2 14 GLU HA 2 15 GLN H . . 4.000 3.607 3.572 3.638 . 0 0 "[ . 1 . 2 ]" 1
226 2 14 GLU HA 2 17 HIS H . . 4.000 3.714 3.335 4.018 0.018 2 0 "[ . 1 . 2 ]" 1
227 2 14 GLU QB 2 15 GLN H . . 4.000 2.512 2.312 2.941 . 0 0 "[ . 1 . 2 ]" 1
228 2 14 GLU QG 2 15 GLN H . . 5.000 3.731 3.282 4.502 . 0 0 "[ . 1 . 2 ]" 1
229 2 15 GLN H 2 16 LEU H . . 4.000 2.846 2.753 2.988 . 0 0 "[ . 1 . 2 ]" 1
230 2 15 GLN HA 2 16 LEU H . . 4.000 3.599 3.574 3.621 . 0 0 "[ . 1 . 2 ]" 1
231 2 15 GLN HA 2 18 ARG H . . 4.000 3.579 3.329 3.925 . 0 0 "[ . 1 . 2 ]" 1
232 2 15 GLN HA 2 18 ARG QB . . 6.100 2.788 2.290 4.416 . 0 0 "[ . 1 . 2 ]" 1
233 2 15 GLN HA 2 18 ARG QD . . 4.000 3.292 2.519 4.030 0.030 19 0 "[ . 1 . 2 ]" 1
234 2 15 GLN QB 2 16 LEU H . . 4.000 2.516 2.332 2.727 . 0 0 "[ . 1 . 2 ]" 1
235 2 16 LEU H 2 17 HIS H . . 6.100 2.857 2.768 2.942 . 0 0 "[ . 1 . 2 ]" 1
236 2 16 LEU HA 2 17 HIS H . . 4.000 3.608 3.588 3.632 . 0 0 "[ . 1 . 2 ]" 1
237 2 16 LEU HA 2 19 LYS QB . . 6.100 2.730 2.470 2.968 . 0 0 "[ . 1 . 2 ]" 1
238 2 16 LEU QB 2 17 HIS H . . 6.100 2.418 2.303 2.573 . 0 0 "[ . 1 . 2 ]" 1
239 2 16 LEU QD 2 17 HIS H . . 5.000 3.795 3.320 4.108 . 0 0 "[ . 1 . 2 ]" 1
240 2 16 LEU HG 2 17 HIS H . . 5.000 4.194 3.495 4.972 . 0 0 "[ . 1 . 2 ]" 1
241 2 17 HIS H 2 18 ARG H . . 4.000 2.933 2.819 3.088 . 0 0 "[ . 1 . 2 ]" 1
242 2 17 HIS HA 2 17 HIS HD2 . . 4.500 4.110 2.513 4.849 0.349 23 0 "[ . 1 . 2 ]" 1
243 2 17 HIS HA 2 18 ARG H . . 4.000 3.610 3.576 3.662 . 0 0 "[ . 1 . 2 ]" 1
244 2 17 HIS HA 2 20 LEU H . . 4.000 3.643 3.427 3.846 . 0 0 "[ . 1 . 2 ]" 1
245 2 17 HIS QB 2 18 ARG H . . 4.500 2.500 2.320 2.586 . 0 0 "[ . 1 . 2 ]" 1
246 2 18 ARG H 2 19 LYS H . . 4.000 2.881 2.741 3.001 . 0 0 "[ . 1 . 2 ]" 1
247 2 18 ARG HA 2 19 LYS H . . 4.000 3.614 3.580 3.640 . 0 0 "[ . 1 . 2 ]" 1
248 2 18 ARG HA 2 21 LYS H . . 4.000 3.413 3.020 4.035 0.035 5 0 "[ . 1 . 2 ]" 1
249 2 18 ARG HA 2 21 LYS QB . . 6.100 2.505 2.206 3.079 . 0 0 "[ . 1 . 2 ]" 1
250 2 18 ARG QB 2 19 LYS H . . 6.100 2.734 2.428 3.676 . 0 0 "[ . 1 . 2 ]" 1
251 2 19 LYS H 2 20 LEU H . . 4.000 2.839 2.733 2.904 . 0 0 "[ . 1 . 2 ]" 1
252 2 19 LYS HA 2 20 LEU H . . 4.000 3.601 3.573 3.627 . 0 0 "[ . 1 . 2 ]" 1
253 2 19 LYS HA 2 22 ASN H . . 5.000 3.450 3.321 3.647 . 0 0 "[ . 1 . 2 ]" 1
254 2 19 LYS HA 2 22 ASN QB . . 5.000 2.603 2.413 2.892 . 0 0 "[ . 1 . 2 ]" 1
255 2 19 LYS QB 2 20 LEU H . . 4.000 2.472 2.320 2.681 . 0 0 "[ . 1 . 2 ]" 1
256 2 20 LEU H 2 21 LYS H . . 4.000 2.808 2.728 2.945 . 0 0 "[ . 1 . 2 ]" 1
257 2 20 LEU HA 2 21 LYS H . . 4.000 3.578 3.534 3.646 . 0 0 "[ . 1 . 2 ]" 1
258 2 20 LEU HA 2 23 CYS H . . 4.000 3.332 3.030 3.846 . 0 0 "[ . 1 . 2 ]" 1
259 2 20 LEU HA 2 23 CYS QB . . 5.000 2.686 2.191 4.038 . 0 0 "[ . 1 . 2 ]" 1
260 2 20 LEU QB 2 21 LYS H . . 4.000 2.774 2.453 2.935 . 0 0 "[ . 1 . 2 ]" 1
261 2 20 LEU QD 2 21 LYS H . . 6.000 4.167 3.946 4.317 . 0 0 "[ . 1 . 2 ]" 1
262 2 21 LYS H 2 22 ASN H . . 4.000 2.753 2.657 2.912 . 0 0 "[ . 1 . 2 ]" 1
263 2 21 LYS H 2 23 CYS H . . 6.500 4.114 3.977 4.276 . 0 0 "[ . 1 . 2 ]" 1
264 2 21 LYS HA 2 22 ASN H . . 4.000 3.585 3.541 3.606 . 0 0 "[ . 1 . 2 ]" 1
265 2 21 LYS HA 2 24 LYS QB . . 6.100 4.846 2.438 5.915 . 0 0 "[ . 1 . 2 ]" 1
266 2 21 LYS QB 2 22 ASN H . . 4.000 2.485 2.108 2.928 . 0 0 "[ . 1 . 2 ]" 1
267 2 21 LYS QD 2 22 ASN H . . 6.500 4.653 3.064 5.453 . 0 0 "[ . 1 . 2 ]" 1
268 2 21 LYS QG 2 22 ASN H . . 6.500 3.673 3.183 4.339 . 0 0 "[ . 1 . 2 ]" 1
269 2 22 ASN H 2 23 CYS H . . 4.000 2.810 2.417 3.043 . 0 0 "[ . 1 . 2 ]" 1
270 2 22 ASN H 2 23 CYS HA . . 6.500 5.427 5.157 5.571 . 0 0 "[ . 1 . 2 ]" 1
271 2 22 ASN H 2 23 CYS QB . . 6.500 4.525 4.149 5.097 . 0 0 "[ . 1 . 2 ]" 1
272 2 22 ASN HA 2 23 CYS H . . 4.000 3.549 3.419 3.624 . 0 0 "[ . 1 . 2 ]" 1
273 2 22 ASN QB 2 23 CYS H . . 5.000 2.834 2.656 3.480 . 0 0 "[ . 1 . 2 ]" 1
274 2 23 CYS H 2 24 LYS H . . 6.500 3.029 2.591 3.717 . 0 0 "[ . 1 . 2 ]" 1
275 2 23 CYS HA 2 24 LYS H . . 4.000 3.382 2.368 3.635 . 0 0 "[ . 1 . 2 ]" 1
276 2 23 CYS QB 2 24 LYS H . . 4.000 2.992 2.104 4.042 0.042 23 0 "[ . 1 . 2 ]" 1
277 2 23 CYS QB 2 25 VAL QG . . 6.000 4.042 3.118 4.949 . 0 0 "[ . 1 . 2 ]" 1
278 2 24 LYS H 2 25 VAL H . . 6.500 3.509 1.894 3.931 . 0 0 "[ . 1 . 2 ]" 1
279 2 24 LYS HA 2 25 VAL H . . 4.000 3.167 2.397 3.600 . 0 0 "[ . 1 . 2 ]" 1
280 2 24 LYS QB 2 25 VAL H . . 5.000 3.365 2.291 4.077 . 0 0 "[ . 1 . 2 ]" 1
281 3 2 ASN HA 3 3 ARG H . . 5.000 2.716 2.105 3.609 . 0 0 "[ . 1 . 2 ]" 1
282 3 3 ARG HA 3 4 GLU H . . 4.000 3.010 2.146 3.632 . 0 0 "[ . 1 . 2 ]" 1
283 3 3 ARG QB 3 4 GLU H . . 4.000 2.972 2.052 3.967 . 0 0 "[ . 1 . 2 ]" 1
284 3 4 GLU H 3 5 VAL H . . 6.000 3.670 2.377 4.675 . 0 0 "[ . 1 . 2 ]" 1
285 3 4 GLU HA 3 5 VAL H . . 4.000 3.006 2.264 3.627 . 0 0 "[ . 1 . 2 ]" 1
286 3 4 GLU QB 3 5 VAL H . . 4.500 3.121 2.168 4.085 . 0 0 "[ . 1 . 2 ]" 1
287 3 4 GLU QG 3 5 VAL H . . 5.000 3.981 2.314 4.488 . 0 0 "[ . 1 . 2 ]" 1
288 3 5 VAL H 3 6 PRO QD . . 7.000 3.990 2.337 4.421 . 0 0 "[ . 1 . 2 ]" 1
289 3 5 VAL HA 3 6 PRO QB . . 5.000 4.607 4.417 4.864 . 0 0 "[ . 1 . 2 ]" 1
290 3 5 VAL HA 3 6 PRO QD . . 4.000 2.095 2.038 2.201 . 0 0 "[ . 1 . 2 ]" 1
291 3 5 VAL QG 3 9 PHE QD . . 4.000 2.349 2.104 3.245 . 0 0 "[ . 1 . 2 ]" 1
292 3 6 PRO HA 3 7 PRO QD . . 4.000 2.131 2.075 2.284 . 0 0 "[ . 1 . 2 ]" 1
293 3 6 PRO QB 3 7 PRO QD . . 6.000 2.625 2.249 3.198 . 0 0 "[ . 1 . 2 ]" 1
294 3 6 PRO QB 3 9 PHE H . . 5.000 3.458 3.024 4.174 . 0 0 "[ . 1 . 2 ]" 1
295 3 6 PRO QB 3 9 PHE QB . . 6.500 4.267 3.707 4.854 . 0 0 "[ . 1 . 2 ]" 1
296 3 6 PRO QD 3 9 PHE H . . 5.000 3.887 3.435 4.310 . 0 0 "[ . 1 . 2 ]" 1
297 3 6 PRO QG 3 9 PHE H . . 4.000 2.483 1.998 3.180 . 0 0 "[ . 1 . 2 ]" 1
298 3 6 PRO QG 3 9 PHE QB . . 6.000 2.705 2.086 3.637 . 0 0 "[ . 1 . 2 ]" 1
299 3 7 PRO HA 3 9 PHE H . . 6.500 3.943 3.686 4.468 . 0 0 "[ . 1 . 2 ]" 1
300 3 7 PRO HA 3 10 THR HB . . 3.800 3.046 2.528 3.547 . 0 0 "[ . 1 . 2 ]" 1
301 3 7 PRO HA 3 10 THR MG . . 6.000 4.324 3.765 4.801 . 0 0 "[ . 1 . 2 ]" 1
302 3 7 PRO HA 3 11 ALA H . . 6.000 4.093 3.821 4.351 . 0 0 "[ . 1 . 2 ]" 1
303 3 7 PRO QD 3 8 GLY H . . 6.500 2.840 2.599 3.119 . 0 0 "[ . 1 . 2 ]" 1
304 3 8 GLY H 3 9 PHE H . . 7.000 2.983 2.890 3.171 . 0 0 "[ . 1 . 2 ]" 1
305 3 8 GLY QA 3 9 PHE H . . 4.000 2.808 2.721 2.865 . 0 0 "[ . 1 . 2 ]" 1
306 3 8 GLY QA 3 11 ALA H . . 4.000 3.480 3.259 3.672 . 0 0 "[ . 1 . 2 ]" 1
307 3 8 GLY QA 3 11 ALA MB . . 4.000 2.426 2.261 2.722 . 0 0 "[ . 1 . 2 ]" 1
308 3 9 PHE H 3 10 THR H . . 4.000 2.686 2.506 2.825 . 0 0 "[ . 1 . 2 ]" 1
309 3 9 PHE H 3 11 ALA H . . 6.500 4.065 3.955 4.212 . 0 0 "[ . 1 . 2 ]" 1
310 3 9 PHE HA 3 10 THR H . . 4.000 3.611 3.562 3.629 . 0 0 "[ . 1 . 2 ]" 1
311 3 9 PHE HA 3 12 LEU H . . 4.000 3.432 3.255 3.667 . 0 0 "[ . 1 . 2 ]" 1
312 3 9 PHE HA 3 12 LEU QB . . 4.000 2.490 2.275 2.702 . 0 0 "[ . 1 . 2 ]" 1
313 3 9 PHE HA 3 12 LEU QD . . 4.500 3.280 3.012 3.525 . 0 0 "[ . 1 . 2 ]" 1
314 3 9 PHE QB 3 10 THR H . . 4.000 2.518 2.318 2.749 . 0 0 "[ . 1 . 2 ]" 1
315 3 9 PHE QB 3 12 LEU H . . 6.500 4.989 4.865 5.152 . 0 0 "[ . 1 . 2 ]" 1
316 3 9 PHE QD 3 12 LEU QD . . 6.500 3.179 2.789 3.522 . 0 0 "[ . 1 . 2 ]" 1
317 3 9 PHE QE 3 10 THR HA . . 6.500 4.548 3.714 5.242 . 0 0 "[ . 1 . 2 ]" 1
318 3 9 PHE QE 3 12 LEU QB . . 6.500 4.783 4.217 5.131 . 0 0 "[ . 1 . 2 ]" 1
319 3 9 PHE HZ 3 13 ILE MD . . 4.000 3.059 2.541 3.828 . 0 0 "[ . 1 . 2 ]" 1
320 3 10 THR H 3 11 ALA H . . 4.000 2.791 2.526 2.899 . 0 0 "[ . 1 . 2 ]" 1
321 3 10 THR H 3 11 ALA MB . . 5.000 4.402 4.190 4.493 . 0 0 "[ . 1 . 2 ]" 1
322 3 10 THR HA 3 11 ALA H . . 4.000 3.578 3.552 3.592 . 0 0 "[ . 1 . 2 ]" 1
323 3 10 THR HA 3 13 ILE H . . 4.000 3.578 3.230 3.829 . 0 0 "[ . 1 . 2 ]" 1
324 3 10 THR HA 3 13 ILE HB . . 4.000 2.936 2.391 4.356 0.356 24 0 "[ . 1 . 2 ]" 1
325 3 10 THR HB 3 11 ALA H . . 4.000 2.507 2.392 2.714 . 0 0 "[ . 1 . 2 ]" 1
326 3 10 THR MG 3 11 ALA H . . 4.000 3.615 3.518 3.717 . 0 0 "[ . 1 . 2 ]" 1
327 3 10 THR MG 3 11 ALA HA . . 6.500 3.927 3.801 4.027 . 0 0 "[ . 1 . 2 ]" 1
328 3 11 ALA H 3 12 LEU H . . 4.000 2.841 2.802 2.892 . 0 0 "[ . 1 . 2 ]" 1
329 3 11 ALA HA 3 12 LEU H . . 4.500 3.615 3.592 3.640 . 0 0 "[ . 1 . 2 ]" 1
330 3 11 ALA HA 3 14 LYS H . . 4.000 3.556 3.268 3.841 . 0 0 "[ . 1 . 2 ]" 1
331 3 11 ALA HA 3 14 LYS QB . . 4.000 2.582 2.395 2.735 . 0 0 "[ . 1 . 2 ]" 1
332 3 11 ALA MB 3 12 LEU H . . 4.000 2.490 2.373 2.568 . 0 0 "[ . 1 . 2 ]" 1
333 3 11 ALA MB 3 12 LEU HA . . 5.000 4.005 3.942 4.076 . 0 0 "[ . 1 . 2 ]" 1
334 3 12 LEU H 3 13 ILE H . . 4.000 2.970 2.906 3.094 . 0 0 "[ . 1 . 2 ]" 1
335 3 12 LEU H 3 14 LYS H . . 6.500 4.420 4.273 4.525 . 0 0 "[ . 1 . 2 ]" 1
336 3 12 LEU HA 3 13 ILE H . . 4.000 3.626 3.603 3.642 . 0 0 "[ . 1 . 2 ]" 1
337 3 12 LEU HA 3 15 THR H . . 4.000 3.684 3.462 3.862 . 0 0 "[ . 1 . 2 ]" 1
338 3 12 LEU HA 3 15 THR HB . . 4.500 4.072 2.479 4.766 0.266 17 0 "[ . 1 . 2 ]" 1
339 3 12 LEU QB 3 13 ILE H . . 4.000 2.448 2.225 2.608 . 0 0 "[ . 1 . 2 ]" 1
340 3 12 LEU QD 3 13 ILE H . . 4.500 3.007 2.870 3.602 . 0 0 "[ . 1 . 2 ]" 1
341 3 12 LEU QD 4 11 LYS QE . . 6.500 10.132 8.980 11.022 4.522 16 24 [**************-+********] 1
342 3 12 LEU QD 4 15 GLN HA . . 6.500 6.543 6.366 6.841 0.341 16 0 "[ . 1 . 2 ]" 1
343 3 13 ILE H 3 14 LYS H . . 4.000 2.939 2.854 2.999 . 0 0 "[ . 1 . 2 ]" 1
344 3 13 ILE HA 3 14 LYS H . . 4.500 3.606 3.582 3.627 . 0 0 "[ . 1 . 2 ]" 1
345 3 13 ILE HA 3 16 LEU H . . 4.000 3.404 3.101 3.787 . 0 0 "[ . 1 . 2 ]" 1
346 3 13 ILE HA 3 16 LEU QB . . 4.000 2.424 2.230 2.637 . 0 0 "[ . 1 . 2 ]" 1
347 3 13 ILE HB 3 14 LYS H . . 4.000 2.838 2.496 4.043 0.043 24 0 "[ . 1 . 2 ]" 1
348 3 13 ILE MD 3 14 LYS H . . 6.500 4.792 4.383 4.948 . 0 0 "[ . 1 . 2 ]" 1
349 3 13 ILE MD 3 16 LEU H . . 6.500 4.947 4.473 5.289 . 0 0 "[ . 1 . 2 ]" 1
350 3 13 ILE QG 3 14 LYS H . . 5.000 4.223 3.999 4.568 . 0 0 "[ . 1 . 2 ]" 1
351 3 13 ILE MG 3 14 LYS H . . 4.000 3.003 2.259 3.383 . 0 0 "[ . 1 . 2 ]" 1
352 3 14 LYS H 3 15 THR H . . 4.000 2.892 2.791 2.985 . 0 0 "[ . 1 . 2 ]" 1
353 3 14 LYS H 3 16 LEU H . . 6.500 4.197 4.035 4.417 . 0 0 "[ . 1 . 2 ]" 1
354 3 14 LYS HA 3 15 THR H . . 4.000 3.595 3.562 3.623 . 0 0 "[ . 1 . 2 ]" 1
355 3 14 LYS HA 3 17 ARG H . . 4.500 3.623 3.396 3.814 . 0 0 "[ . 1 . 2 ]" 1
356 3 14 LYS HA 3 17 ARG QB . . 6.100 2.687 2.451 2.933 . 0 0 "[ . 1 . 2 ]" 1
357 3 14 LYS QB 3 15 THR H . . 6.100 2.452 2.369 2.612 . 0 0 "[ . 1 . 2 ]" 1
358 3 15 THR H 3 16 LEU H . . 4.000 2.758 2.665 2.858 . 0 0 "[ . 1 . 2 ]" 1
359 3 15 THR H 3 17 ARG H . . 6.000 4.408 4.244 4.525 . 0 0 "[ . 1 . 2 ]" 1
360 3 15 THR HA 3 16 LEU H . . 4.000 3.559 3.517 3.609 . 0 0 "[ . 1 . 2 ]" 1
361 3 15 THR HA 3 18 LYS H . . 4.000 3.311 3.011 3.502 . 0 0 "[ . 1 . 2 ]" 1
362 3 15 THR HA 3 18 LYS QB . . 6.100 2.374 2.148 2.783 . 0 0 "[ . 1 . 2 ]" 1
363 3 15 THR HB 3 16 LEU H . . 4.000 3.496 2.609 3.922 . 0 0 "[ . 1 . 2 ]" 1
364 3 15 THR MG 4 17 HIS HA . . 6.500 4.299 3.593 4.796 . 0 0 "[ . 1 . 2 ]" 1
365 3 16 LEU H 3 17 ARG H . . 4.000 2.803 2.658 2.986 . 0 0 "[ . 1 . 2 ]" 1
366 3 16 LEU H 3 17 ARG HA . . 6.500 5.414 5.312 5.533 . 0 0 "[ . 1 . 2 ]" 1
367 3 16 LEU H 3 18 LYS H . . 6.500 4.188 4.054 4.393 . 0 0 "[ . 1 . 2 ]" 1
368 3 16 LEU HA 3 17 ARG H . . 4.000 3.594 3.574 3.623 . 0 0 "[ . 1 . 2 ]" 1
369 3 16 LEU HA 3 19 CYS H . . 4.000 3.557 3.334 3.763 . 0 0 "[ . 1 . 2 ]" 1
370 3 16 LEU HA 3 19 CYS QB . . 6.000 2.631 2.353 3.064 . 0 0 "[ . 1 . 2 ]" 1
371 3 16 LEU QB 3 17 ARG H . . 4.000 2.375 2.258 2.604 . 0 0 "[ . 1 . 2 ]" 1
372 3 16 LEU QD 3 17 ARG H . . 4.500 3.202 2.972 3.496 . 0 0 "[ . 1 . 2 ]" 1
373 3 16 LEU HG 3 17 ARG H . . 4.500 4.636 4.447 4.891 0.391 18 0 "[ . 1 . 2 ]" 1
374 3 16 LEU HG 4 19 LYS HA . . 6.000 10.173 9.525 11.057 5.057 1 24 [+****************-******] 1
375 3 17 ARG H 3 18 LYS H . . 4.000 2.910 2.824 2.989 . 0 0 "[ . 1 . 2 ]" 1
376 3 17 ARG HA 3 18 LYS H . . 4.000 3.608 3.594 3.630 . 0 0 "[ . 1 . 2 ]" 1
377 3 17 ARG HA 3 20 LYS H . . 4.000 3.735 3.506 4.108 0.108 4 0 "[ . 1 . 2 ]" 1
378 3 17 ARG HA 3 22 ILE H . . 5.500 5.045 2.450 6.154 0.654 6 1 "[ .+ 1 . 2 ]" 1
379 3 17 ARG QB 3 18 LYS H . . 4.000 2.513 2.359 2.699 . 0 0 "[ . 1 . 2 ]" 1
380 3 18 LYS H 3 19 CYS H . . 4.000 2.967 2.815 3.074 . 0 0 "[ . 1 . 2 ]" 1
381 3 18 LYS HA 3 19 CYS H . . 4.000 3.610 3.561 3.632 . 0 0 "[ . 1 . 2 ]" 1
382 3 18 LYS HA 3 21 ILE H . . 5.000 3.819 3.257 5.927 0.927 1 2 "[+- . 1 . 2 ]" 1
383 3 18 LYS HA 3 21 ILE HB . . 6.500 6.609 5.767 7.890 1.390 2 2 "[-+ . 1 . 2 ]" 1
384 3 18 LYS QB 3 19 CYS H . . 4.000 2.423 2.240 2.868 . 0 0 "[ . 1 . 2 ]" 1
385 3 19 CYS H 3 20 LYS H . . 4.000 2.893 2.740 3.008 . 0 0 "[ . 1 . 2 ]" 1
386 3 19 CYS H 4 22 ASN H . . 6.500 8.173 7.584 9.021 2.521 1 24 [+*******-***************] 1
387 3 19 CYS HA 3 20 LYS H . . 4.000 3.562 3.304 3.610 . 0 0 "[ . 1 . 2 ]" 1
388 3 19 CYS HA 3 21 ILE MD . . 5.000 4.347 3.711 5.154 0.154 1 0 "[ . 1 . 2 ]" 1
389 3 19 CYS QB 3 20 LYS H . . 5.000 2.586 2.337 3.522 . 0 0 "[ . 1 . 2 ]" 1
390 3 19 CYS QB 3 21 ILE H . . 5.000 4.447 3.298 4.750 . 0 0 "[ . 1 . 2 ]" 1
391 3 20 LYS H 3 21 ILE H . . 4.000 2.675 2.525 2.823 . 0 0 "[ . 1 . 2 ]" 1
392 3 20 LYS H 3 22 ILE H . . 5.000 5.077 4.135 5.447 0.447 16 0 "[ . 1 . 2 ]" 1
393 3 20 LYS HA 3 21 ILE H . . 4.000 3.335 2.890 3.545 . 0 0 "[ . 1 . 2 ]" 1
394 3 20 LYS HA 3 22 ILE H . . 4.000 4.272 3.590 4.463 0.463 9 0 "[ . 1 . 2 ]" 1
395 3 20 LYS QB 3 21 ILE H . . 4.000 3.396 2.823 3.925 . 0 0 "[ . 1 . 2 ]" 1
396 3 21 ILE H 3 22 ILE H . . 3.800 3.568 2.364 3.727 . 0 0 "[ . 1 . 2 ]" 1
397 3 21 ILE HA 3 22 ILE H . . 4.000 3.571 3.537 3.595 . 0 0 "[ . 1 . 2 ]" 1
398 3 21 ILE HB 3 22 ILE H . . 4.000 2.444 2.285 3.008 . 0 0 "[ . 1 . 2 ]" 1
399 3 21 ILE HB 3 22 ILE HA . . 4.500 4.552 4.286 4.998 0.498 1 0 "[ . 1 . 2 ]" 1
400 3 21 ILE MD 3 22 ILE H . . 5.500 4.636 4.448 4.744 . 0 0 "[ . 1 . 2 ]" 1
401 3 21 ILE QG 3 22 ILE H . . 4.000 3.894 3.741 4.126 0.126 2 0 "[ . 1 . 2 ]" 1
402 3 21 ILE QG 3 22 ILE HA . . 6.500 5.960 5.807 6.183 . 0 0 "[ . 1 . 2 ]" 1
403 4 1 ASN HA 4 2 LEU H . . 4.000 2.790 2.163 3.621 . 0 0 "[ . 1 . 2 ]" 1
404 4 1 ASN QB 4 2 LEU H . . 4.000 3.286 2.117 4.102 0.102 3 0 "[ . 1 . 2 ]" 1
405 4 2 LEU HA 4 3 VAL H . . 4.000 3.084 2.143 3.608 . 0 0 "[ . 1 . 2 ]" 1
406 4 3 VAL HA 4 4 SER H . . 6.500 3.261 2.132 3.620 . 0 0 "[ . 1 . 2 ]" 1
407 4 3 VAL HA 4 6 LEU H . . 7.000 4.979 3.357 7.565 0.565 18 2 "[ . 1 -. + 2 ]" 1
408 4 4 SER H 4 5 GLY H . . 5.000 3.117 2.034 4.552 . 0 0 "[ . 1 . 2 ]" 1
409 4 5 GLY H 4 6 LEU H . . 4.000 3.206 2.726 3.789 . 0 0 "[ . 1 . 2 ]" 1
410 4 5 GLY H 4 7 ILE H . . 6.500 5.181 4.599 6.464 . 0 0 "[ . 1 . 2 ]" 1
411 4 6 LEU H 4 7 ILE H . . 4.000 3.144 2.647 4.258 0.258 14 0 "[ . 1 . 2 ]" 1
412 4 6 LEU HA 4 7 ILE H . . 4.000 3.626 3.528 3.683 . 0 0 "[ . 1 . 2 ]" 1
413 4 6 LEU HA 4 9 ALA H . . 4.000 3.794 3.400 4.355 0.355 14 0 "[ . 1 . 2 ]" 1
414 4 6 LEU HA 4 9 ALA MB . . 6.100 2.773 2.394 3.115 . 0 0 "[ . 1 . 2 ]" 1
415 4 6 LEU MD1 4 7 ILE H . . 4.500 4.251 4.009 4.398 . 0 0 "[ . 1 . 2 ]" 1
416 4 7 ILE H 4 8 GLU H . . 4.000 2.839 2.751 2.946 . 0 0 "[ . 1 . 2 ]" 1
417 4 7 ILE HA 4 8 GLU H . . 4.000 3.575 3.551 3.603 . 0 0 "[ . 1 . 2 ]" 1
418 4 7 ILE HA 4 10 ARG H . . 4.000 3.477 3.160 3.739 . 0 0 "[ . 1 . 2 ]" 1
419 4 7 ILE HA 4 10 ARG QB . . 4.000 2.496 2.321 2.785 . 0 0 "[ . 1 . 2 ]" 1
420 4 7 ILE HA 4 11 LYS H . . 4.000 3.806 3.595 4.030 0.030 24 0 "[ . 1 . 2 ]" 1
421 4 8 GLU H 4 9 ALA H . . 4.000 2.742 2.428 2.963 . 0 0 "[ . 1 . 2 ]" 1
422 4 8 GLU H 4 10 ARG H . . 6.500 4.175 3.982 4.345 . 0 0 "[ . 1 . 2 ]" 1
423 4 8 GLU HA 4 9 ALA H . . 4.000 3.596 3.564 3.630 . 0 0 "[ . 1 . 2 ]" 1
424 4 8 GLU HA 4 11 LYS H . . 4.000 3.544 3.222 3.787 . 0 0 "[ . 1 . 2 ]" 1
425 4 8 GLU HA 4 11 LYS QB . . 4.000 2.644 2.377 2.912 . 0 0 "[ . 1 . 2 ]" 1
426 4 8 GLU QB 4 9 ALA H . . 4.000 2.461 2.291 2.705 . 0 0 "[ . 1 . 2 ]" 1
427 4 9 ALA H 4 10 ARG H . . 4.000 2.830 2.727 2.947 . 0 0 "[ . 1 . 2 ]" 1
428 4 9 ALA HA 4 10 ARG H . . 4.000 3.595 3.557 3.626 . 0 0 "[ . 1 . 2 ]" 1
429 4 9 ALA HA 4 12 TYR H . . 4.500 3.633 3.507 3.792 . 0 0 "[ . 1 . 2 ]" 1
430 4 9 ALA HA 4 12 TYR QB . . 6.100 2.653 2.346 4.099 . 0 0 "[ . 1 . 2 ]" 1
431 4 9 ALA MB 4 10 ARG H . . 6.100 2.516 2.374 2.642 . 0 0 "[ . 1 . 2 ]" 1
432 4 10 ARG H 4 11 LYS H . . 4.000 2.876 2.751 2.946 . 0 0 "[ . 1 . 2 ]" 1
433 4 10 ARG HA 4 11 LYS H . . 4.000 3.619 3.588 3.640 . 0 0 "[ . 1 . 2 ]" 1
434 4 10 ARG HA 4 13 LEU H . . 4.000 3.629 3.381 3.921 . 0 0 "[ . 1 . 2 ]" 1
435 4 10 ARG HA 4 13 LEU QB . . 6.100 2.445 2.226 2.709 . 0 0 "[ . 1 . 2 ]" 1
436 4 10 ARG QB 4 11 LYS H . . 6.100 2.508 2.331 2.747 . 0 0 "[ . 1 . 2 ]" 1
437 4 10 ARG QB 4 11 LYS HA . . 4.500 4.168 3.853 4.621 0.121 12 0 "[ . 1 . 2 ]" 1
438 4 11 LYS H 4 11 LYS QD . . 5.000 3.948 3.508 4.789 . 0 0 "[ . 1 . 2 ]" 1
439 4 11 LYS H 4 12 TYR H . . 4.000 2.868 2.741 3.034 . 0 0 "[ . 1 . 2 ]" 1
440 4 11 LYS HA 4 11 LYS QD . . 3.800 3.931 2.137 4.163 0.363 20 0 "[ . 1 . 2 ]" 1
441 4 11 LYS HA 4 12 TYR H . . 4.000 3.603 3.556 3.661 . 0 0 "[ . 1 . 2 ]" 1
442 4 11 LYS HA 4 14 GLU H . . 4.000 3.715 3.517 3.929 . 0 0 "[ . 1 . 2 ]" 1
443 4 11 LYS HA 4 14 GLU QB . . 4.000 2.772 2.339 3.180 . 0 0 "[ . 1 . 2 ]" 1
444 4 11 LYS QB 4 12 TYR H . . 4.000 2.477 2.342 2.610 . 0 0 "[ . 1 . 2 ]" 1
445 4 11 LYS QD 4 12 TYR H . . 5.000 4.736 4.317 5.295 0.295 23 0 "[ . 1 . 2 ]" 1
446 4 11 LYS QD 4 12 TYR HA . . 4.000 6.012 4.895 6.580 2.580 20 24 [**********-********+****] 1
447 4 11 LYS QD 4 14 GLU QB . . 6.500 5.884 3.397 6.491 . 0 0 "[ . 1 . 2 ]" 1
448 4 11 LYS QE 4 12 TYR HA . . 7.000 7.025 4.470 8.024 1.024 2 15 "[ +* *** *1 ***.*** 2*- *]" 1
449 4 12 TYR H 4 13 LEU H . . 4.000 2.901 2.751 2.987 . 0 0 "[ . 1 . 2 ]" 1
450 4 12 TYR HA 4 13 LEU H . . 4.000 3.595 3.572 3.625 . 0 0 "[ . 1 . 2 ]" 1
451 4 12 TYR HA 4 15 GLN H . . 4.000 3.697 3.294 3.888 . 0 0 "[ . 1 . 2 ]" 1
452 4 12 TYR HA 4 15 GLN QB . . 4.000 2.738 2.387 3.116 . 0 0 "[ . 1 . 2 ]" 1
453 4 12 TYR QB 4 13 LEU H . . 6.100 2.498 2.254 3.601 . 0 0 "[ . 1 . 2 ]" 1
454 4 13 LEU H 4 14 GLU H . . 4.000 2.979 2.859 3.067 . 0 0 "[ . 1 . 2 ]" 1
455 4 13 LEU H 4 15 GLN H . . 6.500 4.480 4.298 4.621 . 0 0 "[ . 1 . 2 ]" 1
456 4 13 LEU HA 4 14 GLU H . . 4.000 3.603 3.564 3.627 . 0 0 "[ . 1 . 2 ]" 1
457 4 13 LEU HA 4 16 LEU H . . 4.000 3.910 3.763 4.163 0.163 24 0 "[ . 1 . 2 ]" 1
458 4 13 LEU QB 4 14 GLU H . . 4.000 2.356 2.183 2.492 . 0 0 "[ . 1 . 2 ]" 1
459 4 14 GLU H 4 15 GLN H . . 4.000 2.919 2.782 3.021 . 0 0 "[ . 1 . 2 ]" 1
460 4 14 GLU HA 4 15 GLN H . . 4.000 3.610 3.564 3.628 . 0 0 "[ . 1 . 2 ]" 1
461 4 14 GLU HA 4 17 HIS H . . 4.000 3.720 3.329 4.035 0.035 23 0 "[ . 1 . 2 ]" 1
462 4 14 GLU HA 4 17 HIS QB . . 6.100 2.569 2.093 2.898 . 0 0 "[ . 1 . 2 ]" 1
463 4 14 GLU QB 4 15 GLN H . . 4.000 2.506 2.260 2.918 . 0 0 "[ . 1 . 2 ]" 1
464 4 15 GLN H 4 16 LEU H . . 6.100 2.864 2.711 3.063 . 0 0 "[ . 1 . 2 ]" 1
465 4 15 GLN HA 4 16 LEU H . . 4.000 3.601 3.574 3.625 . 0 0 "[ . 1 . 2 ]" 1
466 4 15 GLN HA 4 18 ARG QB . . 6.100 2.625 2.246 4.299 . 0 0 "[ . 1 . 2 ]" 1
467 4 15 GLN QB 4 16 LEU H . . 6.100 2.563 2.378 2.813 . 0 0 "[ . 1 . 2 ]" 1
468 4 16 LEU H 4 17 HIS H . . 4.000 2.844 2.749 2.933 . 0 0 "[ . 1 . 2 ]" 1
469 4 16 LEU HA 4 17 HIS H . . 4.000 3.610 3.590 3.632 . 0 0 "[ . 1 . 2 ]" 1
470 4 16 LEU HA 4 19 LYS H . . 4.000 3.481 3.306 3.649 . 0 0 "[ . 1 . 2 ]" 1
471 4 16 LEU QB 4 17 HIS H . . 4.500 2.443 2.314 2.650 . 0 0 "[ . 1 . 2 ]" 1
472 4 17 HIS H 4 18 ARG H . . 4.000 2.925 2.816 3.161 . 0 0 "[ . 1 . 2 ]" 1
473 4 17 HIS HA 4 18 ARG H . . 4.000 3.605 3.578 3.633 . 0 0 "[ . 1 . 2 ]" 1
474 4 17 HIS HA 4 20 LEU H . . 4.000 3.655 3.432 3.862 . 0 0 "[ . 1 . 2 ]" 1
475 4 17 HIS HA 4 20 LEU QB . . 6.100 2.711 2.444 3.137 . 0 0 "[ . 1 . 2 ]" 1
476 4 17 HIS QB 4 18 ARG H . . 6.100 2.498 2.414 2.631 . 0 0 "[ . 1 . 2 ]" 1
477 4 18 ARG H 4 19 LYS H . . 4.000 2.889 2.775 2.995 . 0 0 "[ . 1 . 2 ]" 1
478 4 18 ARG HA 4 19 LYS H . . 4.000 3.617 3.587 3.634 . 0 0 "[ . 1 . 2 ]" 1
479 4 18 ARG HA 4 21 LYS H . . 5.000 3.469 3.199 3.756 . 0 0 "[ . 1 . 2 ]" 1
480 4 18 ARG HA 4 21 LYS QB . . 5.000 2.485 2.246 2.725 . 0 0 "[ . 1 . 2 ]" 1
481 4 18 ARG QB 4 19 LYS H . . 4.000 2.601 2.345 3.669 . 0 0 "[ . 1 . 2 ]" 1
482 4 19 LYS H 4 20 LEU H . . 4.000 2.859 2.718 2.934 . 0 0 "[ . 1 . 2 ]" 1
483 4 19 LYS HA 4 20 LEU H . . 4.000 3.600 3.579 3.623 . 0 0 "[ . 1 . 2 ]" 1
484 4 19 LYS HA 4 22 ASN H . . 4.000 3.455 3.300 3.559 . 0 0 "[ . 1 . 2 ]" 1
485 4 19 LYS HA 4 22 ASN QB . . 5.000 2.608 2.332 2.804 . 0 0 "[ . 1 . 2 ]" 1
486 4 19 LYS QB 4 20 LEU H . . 4.000 2.487 2.404 2.608 . 0 0 "[ . 1 . 2 ]" 1
487 4 20 LEU H 4 21 LYS H . . 4.000 2.804 2.726 2.929 . 0 0 "[ . 1 . 2 ]" 1
488 4 20 LEU H 4 22 ASN H . . 6.500 4.231 3.996 4.608 . 0 0 "[ . 1 . 2 ]" 1
489 4 20 LEU HA 4 21 LYS H . . 4.000 3.586 3.529 3.636 . 0 0 "[ . 1 . 2 ]" 1
490 4 20 LEU HA 4 23 CYS QB . . 6.500 2.895 2.186 3.976 . 0 0 "[ . 1 . 2 ]" 1
491 4 20 LEU QB 4 21 LYS H . . 4.000 2.676 2.512 2.969 . 0 0 "[ . 1 . 2 ]" 1
492 4 21 LYS H 4 22 ASN H . . 4.000 2.777 2.677 2.857 . 0 0 "[ . 1 . 2 ]" 1
493 4 21 LYS H 4 22 ASN HA . . 6.500 5.411 5.332 5.491 . 0 0 "[ . 1 . 2 ]" 1
494 4 21 LYS H 4 22 ASN QB . . 6.500 4.564 4.267 4.835 . 0 0 "[ . 1 . 2 ]" 1
495 4 21 LYS HA 4 22 ASN H . . 4.000 3.577 3.549 3.608 . 0 0 "[ . 1 . 2 ]" 1
496 4 21 LYS QB 4 22 ASN H . . 5.000 2.567 2.230 2.832 . 0 0 "[ . 1 . 2 ]" 1
497 4 22 ASN H 4 23 CYS H . . 6.500 2.795 2.422 3.003 . 0 0 "[ . 1 . 2 ]" 1
498 4 22 ASN HA 4 23 CYS H . . 4.000 3.556 3.464 3.631 . 0 0 "[ . 1 . 2 ]" 1
499 4 22 ASN QB 4 23 CYS H . . 4.000 2.880 2.510 3.394 . 0 0 "[ . 1 . 2 ]" 1
500 4 23 CYS H 4 24 LYS H . . 6.500 2.984 2.492 4.705 . 0 0 "[ . 1 . 2 ]" 1
501 4 23 CYS HA 4 24 LYS H . . 4.000 3.442 2.236 3.611 . 0 0 "[ . 1 . 2 ]" 1
502 4 23 CYS QB 4 24 LYS H . . 5.000 2.777 2.135 3.942 . 0 0 "[ . 1 . 2 ]" 1
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