NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572788 |
2mk3   |
19750 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mk3
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 464
_Distance_constraint_stats_list.Viol_count 3802
_Distance_constraint_stats_list.Viol_total 17028.715
_Distance_constraint_stats_list.Viol_max 1.070
_Distance_constraint_stats_list.Viol_rms 0.1514
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0917
_Distance_constraint_stats_list.Viol_average_violations_only 0.2239
_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 5 SER 7.729 1.023 4 4 "[ +-** 1 . 2]"
1 6 GLY 25.300 1.070 4 16 "[ **+*****1 *-**** **]"
1 7 ILE 29.733 1.023 4 4 "[ +* * -1 . 2]"
1 8 VAL 29.566 0.812 9 2 "[ *. +1 . 2]"
1 9 GLN 29.489 0.654 9 1 "[ . +1 . 2]"
1 10 GLN 44.842 1.070 4 16 "[ **+*****1 *-**** **]"
1 11 GLN 22.737 0.484 16 0 "[ . 1 . 2]"
1 12 ASN 27.175 0.522 14 2 "[ . 1 +.- 2]"
1 13 ASN 14.043 0.404 10 0 "[ . 1 . 2]"
1 14 LEU 3.317 0.322 7 0 "[ . 1 . 2]"
1 15 LEU 23.241 0.511 10 1 "[ . + . 2]"
1 16 ARG 7.203 0.268 6 0 "[ . 1 . 2]"
1 17 ALA 13.052 0.511 10 1 "[ . + . 2]"
1 18 ILE 55.765 0.901 7 19 [******+**-*********2]
1 19 GLU 18.444 0.367 7 0 "[ . 1 . 2]"
1 20 ALA 22.179 0.615 7 7 "[* **+ *1 - . *2]"
1 21 GLN 66.004 0.901 7 19 [******+**1**-*******]
1 22 GLN 50.393 0.652 1 18 "[+***** **1*********-]"
1 23 HIS 20.926 0.318 7 0 "[ . 1 . 2]"
1 24 LEU 23.635 0.485 10 0 "[ . 1 . 2]"
1 25 LEU 17.058 0.638 9 4 "[ - * +1 . *2]"
1 26 GLN 6.130 0.271 12 0 "[ . 1 . 2]"
1 27 LEU 8.586 0.271 12 0 "[ . 1 . 2]"
1 28 THR 5.884 0.250 9 0 "[ . 1 . 2]"
1 29 VAL 34.883 0.719 17 19 "[***** *******-**+***]"
1 30 TRP 23.291 0.899 17 13 "[* * * - *****+***]"
1 31 GLY 20.873 0.899 17 13 "[* * * - *****+***]"
1 32 ILE 50.141 0.708 14 4 "[ . * +. * -]"
1 33 LYS 40.599 0.719 17 20 [*********-******+***]
1 34 GLN 46.707 0.643 9 16 "[* *****+* **-*****]"
1 35 LEU 16.797 0.551 20 4 "[ . * -. * +]"
1 36 GLN 41.348 0.783 9 13 "[* *** +- *******]"
1 37 ALA 19.472 0.592 19 5 "[- . * *1 . * +2]"
1 38 ARG 37.164 0.657 17 12 "[** . -* * ***. +***]"
1 39 SER 45.059 0.783 9 16 "[-* ****+* **** ****]"
1 40 GLY 6.857 0.421 14 0 "[ . 1 . 2]"
1 41 GLY 11.810 0.485 14 0 "[ . 1 . 2]"
1 42 ARG 25.795 0.485 14 0 "[ . 1 . 2]"
1 43 GLY 8.883 0.352 15 0 "[ . 1 . 2]"
1 44 GLY 2.528 0.224 7 0 "[ . 1 . 2]"
1 45 TRP 11.343 0.536 18 5 "[ * . 1 * .*-+ 2]"
1 46 MET 19.511 0.536 18 5 "[ * . 1 * .*-+ 2]"
1 47 GLU 26.808 0.573 2 3 "[ + . 1 * .- 2]"
1 48 TRP 17.037 0.439 10 0 "[ . 1 . 2]"
1 49 ASP 13.091 0.416 16 0 "[ . 1 . 2]"
1 50 ARG 15.672 0.374 5 0 "[ . 1 . 2]"
1 51 GLU 24.899 0.573 2 3 "[ + . 1 * .- 2]"
1 52 ILE 45.801 0.481 4 0 "[ . 1 . 2]"
1 53 ASN 28.669 0.492 4 0 "[ . 1 . 2]"
1 54 ASN 34.427 0.448 17 0 "[ . 1 . 2]"
1 55 TYR 11.641 0.313 5 0 "[ . 1 . 2]"
1 56 THR 13.791 0.492 4 0 "[ . 1 . 2]"
1 57 SER 15.104 0.447 5 0 "[ . 1 . 2]"
1 58 LEU 11.012 0.315 2 0 "[ . 1 . 2]"
1 59 ILE 31.139 0.370 14 0 "[ . 1 . 2]"
1 60 HIS 28.878 0.563 13 7 "[ * .- 1 *+ ** * 2]"
1 61 SER 3.472 0.215 13 0 "[ . 1 . 2]"
1 62 LEU 34.199 0.717 13 16 "[ * .***-***+*******]"
1 63 ILE 26.238 0.717 13 15 "[ * .***-***+*.*****]"
1 64 GLU 19.132 0.672 3 3 "[- + . * 1 . 2]"
1 65 GLU 12.577 0.672 3 3 "[- + . * 1 . 2]"
1 66 SER 15.372 0.788 19 14 "[** *** * ******+-]"
1 67 GLN 13.997 0.460 8 0 "[ . 1 . 2]"
1 68 ASN 19.661 0.788 19 14 "[** *** * ******+-]"
1 69 GLN 1.044 0.132 3 0 "[ . 1 . 2]"
1 70 GLN 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 5 SER HA 1 6 GLY H 3.300 2.900 3.700 3.509 3.444 3.585 . 0 0 "[ . 1 . 2]" 1
2 1 5 SER HA 1 7 ILE H 4.400 3.900 4.900 4.824 3.999 5.923 1.023 4 3 "[ +- * 1 . 2]" 1
3 1 5 SER QB 1 6 GLY H 3.600 3.100 4.100 2.846 2.278 3.056 0.822 4 4 "[ +-** 1 . 2]" 1
4 1 6 GLY H 1 7 ILE H 2.800 2.500 3.100 2.523 1.964 3.721 0.621 4 2 "[ +. -1 . 2]" 1
5 1 6 GLY H 1 8 VAL H 4.200 3.700 4.700 4.707 4.380 5.395 0.695 4 1 "[ +. 1 . 2]" 1
6 1 6 GLY H 1 10 GLN H 4.700 4.200 5.200 5.845 5.580 6.270 1.070 4 16 "[ **+*****1 *-**** **]" 1
7 1 6 GLY QA 1 7 ILE H 2.700 2.400 3.000 2.603 2.165 2.801 0.235 4 0 "[ . 1 . 2]" 1
8 1 6 GLY QA 1 8 VAL H 3.600 3.300 3.900 3.314 3.087 3.564 0.213 5 0 "[ . 1 . 2]" 1
9 1 7 ILE H 1 7 ILE MD 3.800 3.400 4.200 3.225 2.904 3.438 0.496 16 0 "[ . 1 . 2]" 1
10 1 7 ILE H 1 7 ILE QG 2.800 2.500 3.100 2.531 2.273 3.075 0.227 1 0 "[ . 1 . 2]" 1
11 1 7 ILE H 1 7 ILE MG 3.300 3.000 3.600 3.728 3.703 3.746 0.146 14 0 "[ . 1 . 2]" 1
12 1 7 ILE H 1 9 GLN H 4.200 3.700 4.700 3.993 3.637 4.182 0.063 4 0 "[ . 1 . 2]" 1
13 1 7 ILE HA 1 8 VAL H 2.800 2.500 3.100 3.447 3.376 3.508 0.408 9 0 "[ . 1 . 2]" 1
14 1 7 ILE HA 1 10 GLN H 3.700 3.300 4.100 4.394 4.187 4.778 0.678 9 1 "[ . +1 . 2]" 1
15 1 7 ILE HB 1 8 VAL H 2.800 2.500 3.100 2.816 2.489 3.163 0.063 5 0 "[ . 1 . 2]" 1
16 1 7 ILE MD 1 8 VAL H 4.100 3.700 4.500 4.451 4.274 4.702 0.202 5 0 "[ . 1 . 2]" 1
17 1 7 ILE QG 1 8 VAL H 3.900 3.500 4.300 4.203 4.123 4.363 0.063 4 0 "[ . 1 . 2]" 1
18 1 7 ILE MG 1 8 VAL H 3.100 2.800 3.400 3.468 3.040 3.711 0.311 16 0 "[ . 1 . 2]" 1
19 1 8 VAL H 1 9 GLN H 2.600 2.300 2.900 2.368 2.243 2.496 0.057 15 0 "[ . 1 . 2]" 1
20 1 8 VAL H 1 10 GLN H 3.800 3.400 4.200 4.350 4.132 5.012 0.812 9 1 "[ . +1 . 2]" 1
21 1 8 VAL H 1 11 GLN H 4.800 4.300 5.300 4.779 4.667 5.006 . 0 0 "[ . 1 . 2]" 1
22 1 8 VAL HA 1 9 GLN H 3.700 3.300 4.100 3.498 3.465 3.526 . 0 0 "[ . 1 . 2]" 1
23 1 8 VAL HA 1 10 GLN H 4.100 3.700 4.500 4.755 4.422 5.186 0.686 9 1 "[ . +1 . 2]" 1
24 1 8 VAL HA 1 11 GLN H 4.000 3.500 4.500 3.449 3.236 3.577 0.264 19 0 "[ . 1 . 2]" 1
25 1 8 VAL HA 1 12 ASN H 4.600 4.100 5.100 3.983 3.795 4.098 0.305 7 0 "[ . 1 . 2]" 1
26 1 8 VAL MG1 1 9 GLN H 2.800 2.500 3.100 3.354 3.207 3.546 0.446 4 0 "[ . 1 . 2]" 1
27 1 8 VAL MG2 1 9 GLN H 3.500 3.000 4.000 3.668 3.621 3.750 . 0 0 "[ . 1 . 2]" 1
28 1 9 GLN H 1 10 GLN H 2.500 2.200 2.800 3.186 3.098 3.454 0.654 9 1 "[ . +1 . 2]" 1
29 1 9 GLN H 1 11 GLN H 3.600 3.200 4.000 4.291 4.162 4.429 0.429 10 0 "[ . 1 . 2]" 1
30 1 9 GLN H 1 12 ASN H 4.600 4.100 5.100 4.641 4.534 4.839 . 0 0 "[ . 1 . 2]" 1
31 1 9 GLN HA 1 10 GLN H 3.600 3.200 4.000 3.620 3.594 3.624 . 0 0 "[ . 1 . 2]" 1
32 1 9 GLN HA 1 11 GLN H 3.900 3.500 4.300 4.549 4.366 4.613 0.313 4 0 "[ . 1 . 2]" 1
33 1 9 GLN HA 1 12 ASN H 3.800 3.400 4.200 3.545 3.383 3.814 0.017 12 0 "[ . 1 . 2]" 1
34 1 9 GLN QB 1 10 GLN H 2.600 2.200 3.000 2.133 1.778 2.338 0.422 9 0 "[ . 1 . 2]" 1
35 1 9 GLN QB 1 11 GLN H 4.200 3.700 4.700 4.507 4.173 4.646 . 0 0 "[ . 1 . 2]" 1
36 1 9 GLN QE 1 9 GLN QG 2.800 2.400 3.200 2.197 2.193 2.213 0.207 16 0 "[ . 1 . 2]" 1
37 1 10 GLN H 1 11 GLN H 2.600 2.300 2.900 2.824 2.653 2.934 0.034 10 0 "[ . 1 . 2]" 1
38 1 10 GLN H 1 12 ASN H 4.300 3.800 4.800 4.302 4.106 4.749 . 0 0 "[ . 1 . 2]" 1
39 1 10 GLN HA 1 11 GLN H 3.600 3.200 4.000 3.546 3.528 3.556 . 0 0 "[ . 1 . 2]" 1
40 1 10 GLN HA 1 12 ASN H 4.000 3.500 4.500 4.410 4.142 4.879 0.379 10 0 "[ . 1 . 2]" 1
41 1 10 GLN HA 1 13 ASN H 4.000 3.500 4.500 3.356 3.264 3.710 0.236 1 0 "[ . 1 . 2]" 1
42 1 10 GLN QB 1 11 GLN H 2.800 2.500 3.100 2.501 2.429 2.591 0.071 10 0 "[ . 1 . 2]" 1
43 1 10 GLN QE 1 10 GLN QG 2.800 2.400 3.200 2.198 2.192 2.242 0.208 16 0 "[ . 1 . 2]" 1
44 1 11 GLN H 1 12 ASN H 2.600 2.300 2.900 2.760 2.661 2.942 0.042 9 0 "[ . 1 . 2]" 1
45 1 11 GLN HA 1 12 ASN H 3.500 3.100 3.900 3.533 3.495 3.564 . 0 0 "[ . 1 . 2]" 1
46 1 11 GLN HA 1 13 ASN H 4.700 4.200 5.200 4.388 4.199 4.659 0.001 3 0 "[ . 1 . 2]" 1
47 1 11 GLN HA 1 14 LEU H 3.700 3.300 4.100 3.654 3.523 3.773 . 0 0 "[ . 1 . 2]" 1
48 1 11 GLN QB 1 12 ASN H 2.500 2.200 2.800 2.604 2.293 2.815 0.015 16 0 "[ . 1 . 2]" 1
49 1 11 GLN QE 1 11 GLN QG 2.800 2.400 3.200 2.253 2.224 2.284 0.176 19 0 "[ . 1 . 2]" 1
50 1 11 GLN QG 1 12 ASN H 3.400 3.000 3.800 4.158 3.971 4.284 0.484 16 0 "[ . 1 . 2]" 1
51 1 12 ASN H 1 12 ASN QD 3.500 3.100 3.900 4.243 4.067 4.422 0.522 14 2 "[ . 1 +.- 2]" 1
52 1 12 ASN H 1 13 ASN H 2.800 2.500 3.100 2.462 2.341 2.761 0.159 16 0 "[ . 1 . 2]" 1
53 1 12 ASN H 1 14 LEU H 3.600 3.200 4.000 3.911 3.802 4.000 0.000 10 0 "[ . 1 . 2]" 1
54 1 12 ASN H 1 15 LEU H 4.900 4.500 5.300 5.232 5.124 5.355 0.055 6 0 "[ . 1 . 2]" 1
55 1 12 ASN HA 1 15 LEU H 3.400 3.000 3.800 3.724 3.584 3.825 0.025 17 0 "[ . 1 . 2]" 1
56 1 12 ASN QB 1 12 ASN QD 3.100 2.700 3.500 2.283 2.249 2.320 0.451 16 0 "[ . 1 . 2]" 1
57 1 12 ASN QB 1 13 ASN H 2.900 2.600 3.200 2.779 2.520 2.909 0.080 10 0 "[ . 1 . 2]" 1
58 1 13 ASN H 1 13 ASN QD 4.000 3.600 4.400 4.172 3.992 4.272 . 0 0 "[ . 1 . 2]" 1
59 1 13 ASN H 1 14 LEU H 2.500 2.200 2.800 2.439 2.317 2.610 . 0 0 "[ . 1 . 2]" 1
60 1 13 ASN H 1 15 LEU H 3.700 3.300 4.100 4.306 4.193 4.504 0.404 10 0 "[ . 1 . 2]" 1
61 1 13 ASN HA 1 14 LEU H 3.000 2.600 3.400 3.476 3.439 3.495 0.095 20 0 "[ . 1 . 2]" 1
62 1 13 ASN HA 1 16 ARG H 3.700 3.300 4.100 3.283 3.102 3.555 0.198 6 0 "[ . 1 . 2]" 1
63 1 13 ASN HA 1 17 ALA H 4.000 3.500 4.500 3.496 3.341 3.700 0.159 18 0 "[ . 1 . 2]" 1
64 1 13 ASN QB 1 13 ASN QD 2.800 2.400 3.200 2.296 2.274 2.316 0.126 11 0 "[ . 1 . 2]" 1
65 1 13 ASN QB 1 14 LEU H 2.800 2.500 3.100 2.874 2.802 3.009 . 0 0 "[ . 1 . 2]" 1
66 1 14 LEU H 1 15 LEU H 2.500 2.200 2.800 2.699 2.637 2.761 . 0 0 "[ . 1 . 2]" 1
67 1 14 LEU H 1 16 ARG H 4.400 3.900 4.900 4.064 3.911 4.397 . 0 0 "[ . 1 . 2]" 1
68 1 14 LEU H 1 17 ALA H 4.600 4.100 5.100 4.466 4.290 4.617 . 0 0 "[ . 1 . 2]" 1
69 1 14 LEU HA 1 15 LEU H 3.500 3.100 3.900 3.549 3.530 3.567 . 0 0 "[ . 1 . 2]" 1
70 1 14 LEU HA 1 16 ARG H 4.600 4.100 5.100 4.509 4.256 4.942 . 0 0 "[ . 1 . 2]" 1
71 1 14 LEU HA 1 17 ALA H 3.400 3.000 3.800 3.633 3.439 3.874 0.074 6 0 "[ . 1 . 2]" 1
72 1 14 LEU HA 1 18 ILE H 4.200 3.700 4.700 4.747 4.349 5.022 0.322 7 0 "[ . 1 . 2]" 1
73 1 14 LEU QB 1 15 LEU H 2.800 2.500 3.100 2.594 2.410 2.696 0.090 11 0 "[ . 1 . 2]" 1
74 1 15 LEU H 1 16 ARG H 2.700 2.400 3.000 2.524 2.375 2.734 0.025 6 0 "[ . 1 . 2]" 1
75 1 15 LEU H 1 17 ALA H 4.000 3.500 4.500 3.943 3.752 4.249 . 0 0 "[ . 1 . 2]" 1
76 1 15 LEU H 1 18 ILE H 4.600 4.200 5.000 5.185 5.089 5.272 0.272 9 0 "[ . 1 . 2]" 1
77 1 15 LEU HA 1 18 ILE H 3.200 2.800 3.600 3.957 3.832 4.110 0.510 10 1 "[ . + . 2]" 1
78 1 15 LEU QB 1 16 ARG H 2.600 2.300 2.900 2.674 2.317 2.955 0.055 20 0 "[ . 1 . 2]" 1
79 1 15 LEU QB 1 17 ALA H 4.100 3.600 4.600 4.674 4.338 4.883 0.283 10 0 "[ . 1 . 2]" 1
80 1 15 LEU QB 1 18 ILE H 4.900 4.400 5.400 5.227 4.949 5.429 0.029 20 0 "[ . 1 . 2]" 1
81 1 15 LEU QD 1 16 ARG H 3.800 3.400 4.200 3.701 3.556 3.903 . 0 0 "[ . 1 . 2]" 1
82 1 15 LEU QD 1 17 ALA H 4.200 3.700 4.700 5.002 4.834 5.211 0.511 10 1 "[ . + . 2]" 1
83 1 16 ARG H 1 17 ALA H 2.600 2.300 2.900 2.464 2.296 2.604 0.004 9 0 "[ . 1 . 2]" 1
84 1 16 ARG H 1 18 ILE H 4.000 3.600 4.400 4.147 3.986 4.420 0.020 6 0 "[ . 1 . 2]" 1
85 1 16 ARG HA 1 17 ALA H 3.400 3.100 3.700 3.528 3.467 3.563 . 0 0 "[ . 1 . 2]" 1
86 1 16 ARG HA 1 20 ALA H 4.200 3.700 4.700 4.105 3.704 4.359 . 0 0 "[ . 1 . 2]" 1
87 1 16 ARG QB 1 16 ARG HE 4.900 4.400 5.400 4.163 4.132 4.191 0.268 6 0 "[ . 1 . 2]" 1
88 1 16 ARG QB 1 17 ALA H 2.800 2.500 3.100 2.639 2.416 2.904 0.084 10 0 "[ . 1 . 2]" 1
89 1 16 ARG HE 1 16 ARG QG 3.300 2.900 3.700 2.854 2.782 2.893 0.118 6 0 "[ . 1 . 2]" 1
90 1 16 ARG QG 1 17 ALA H 4.600 4.100 5.100 4.130 4.010 4.230 0.090 7 0 "[ . 1 . 2]" 1
91 1 17 ALA H 1 18 ILE H 2.500 2.200 2.800 2.843 2.705 2.953 0.153 10 0 "[ . 1 . 2]" 1
92 1 17 ALA H 1 19 GLU H 4.900 4.500 5.300 4.972 4.839 5.084 . 0 0 "[ . 1 . 2]" 1
93 1 17 ALA H 1 20 ALA H 4.100 3.600 4.600 4.738 4.636 4.840 0.240 7 0 "[ . 1 . 2]" 1
94 1 17 ALA HA 1 18 ILE H 3.300 3.000 3.600 3.527 3.446 3.574 . 0 0 "[ . 1 . 2]" 1
95 1 17 ALA HA 1 19 GLU H 4.700 4.200 5.200 4.959 4.814 5.142 . 0 0 "[ . 1 . 2]" 1
96 1 17 ALA HA 1 20 ALA H 3.600 3.200 4.000 3.539 3.363 3.910 . 0 0 "[ . 1 . 2]" 1
97 1 17 ALA MB 1 18 ILE H 2.600 2.300 2.900 2.745 2.473 3.034 0.134 7 0 "[ . 1 . 2]" 1
98 1 18 ILE H 1 18 ILE MD 3.200 2.900 3.500 3.208 3.050 3.334 . 0 0 "[ . 1 . 2]" 1
99 1 18 ILE H 1 18 ILE QG 2.800 2.500 3.100 2.263 2.037 2.433 0.463 6 0 "[ . 1 . 2]" 1
100 1 18 ILE H 1 18 ILE MG 3.000 2.700 3.300 3.723 3.703 3.744 0.444 1 0 "[ . 1 . 2]" 1
101 1 18 ILE H 1 19 GLU H 2.600 2.300 2.900 2.989 2.802 3.126 0.226 1 0 "[ . 1 . 2]" 1
102 1 18 ILE H 1 20 ALA H 3.700 3.300 4.100 3.868 3.686 4.028 . 0 0 "[ . 1 . 2]" 1
103 1 18 ILE HA 1 19 GLU H 3.500 3.100 3.900 3.562 3.559 3.563 . 0 0 "[ . 1 . 2]" 1
104 1 18 ILE HA 1 20 ALA H 4.100 3.600 4.600 4.454 4.315 4.627 0.027 7 0 "[ . 1 . 2]" 1
105 1 18 ILE HA 1 21 GLN H 4.700 4.200 5.200 5.331 5.057 5.680 0.480 7 0 "[ . 1 . 2]" 1
106 1 18 ILE HB 1 19 GLU H 2.800 2.500 3.100 2.175 2.133 2.216 0.367 7 0 "[ . 1 . 2]" 1
107 1 18 ILE MD 1 19 GLU H 4.200 3.800 4.600 4.020 3.980 4.066 . 0 0 "[ . 1 . 2]" 1
108 1 18 ILE QG 1 19 GLU H 4.000 3.600 4.400 4.039 3.997 4.062 . 0 0 "[ . 1 . 2]" 1
109 1 18 ILE MG 1 19 GLU H 3.200 2.900 3.500 2.714 2.606 2.833 0.294 11 0 "[ . 1 . 2]" 1
110 1 18 ILE MG 1 20 ALA H 4.800 4.300 5.300 4.584 4.485 4.666 . 0 0 "[ . 1 . 2]" 1
111 1 18 ILE MG 1 21 GLN H 4.100 3.600 4.600 5.253 5.075 5.501 0.901 7 18 [******+**1*******-*2] 1
112 1 18 ILE MG 1 22 GLN QE 4.800 4.300 5.300 4.359 4.203 5.315 0.097 10 0 "[ . 1 . 2]" 1
113 1 19 GLU H 1 20 ALA H 2.600 2.300 2.900 2.596 2.566 2.637 . 0 0 "[ . 1 . 2]" 1
114 1 19 GLU H 1 21 GLN H 4.500 4.000 5.000 4.835 4.720 4.999 . 0 0 "[ . 1 . 2]" 1
115 1 19 GLU HA 1 20 ALA H 3.300 2.900 3.700 3.467 3.439 3.500 . 0 0 "[ . 1 . 2]" 1
116 1 19 GLU HA 1 21 GLN H 3.800 3.400 4.200 3.449 3.405 3.532 . 0 0 "[ . 1 . 2]" 1
117 1 19 GLU HA 1 22 GLN H 4.700 4.200 5.200 4.075 3.983 4.406 0.217 1 0 "[ . 1 . 2]" 1
118 1 19 GLU QB 1 20 ALA H 2.800 2.500 3.100 2.821 2.719 2.917 . 0 0 "[ . 1 . 2]" 1
119 1 19 GLU QG 1 20 ALA H 3.800 3.400 4.200 4.381 4.319 4.424 0.224 15 0 "[ . 1 . 2]" 1
120 1 20 ALA H 1 21 GLN H 2.500 2.200 2.800 3.257 3.098 3.415 0.615 7 7 "[* **+ *1 - . *2]" 1
121 1 20 ALA H 1 22 GLN H 4.900 4.400 5.400 4.823 4.707 5.101 . 0 0 "[ . 1 . 2]" 1
122 1 20 ALA HA 1 21 GLN H 3.100 2.700 3.500 2.861 2.770 2.947 . 0 0 "[ . 1 . 2]" 1
123 1 20 ALA HA 1 22 GLN H 3.900 3.400 4.400 3.791 3.745 3.813 . 0 0 "[ . 1 . 2]" 1
124 1 20 ALA MB 1 21 GLN H 3.200 2.800 3.600 3.660 3.618 3.697 0.097 9 0 "[ . 1 . 2]" 1
125 1 20 ALA MB 1 21 GLN QE 3.500 3.100 3.900 4.170 3.891 4.381 0.481 7 0 "[ . 1 . 2]" 1
126 1 21 GLN H 1 22 GLN H 2.700 2.300 3.100 1.737 1.648 1.834 0.652 1 18 "[+***** **1*********-]" 1
127 1 21 GLN HA 1 21 GLN QE 4.600 4.100 5.100 4.296 4.169 4.533 . 0 0 "[ . 1 . 2]" 1
128 1 21 GLN HA 1 22 GLN H 2.500 2.200 2.800 3.131 3.018 3.159 0.359 6 0 "[ . 1 . 2]" 1
129 1 21 GLN HA 1 23 HIS H 3.900 3.500 4.300 3.305 3.182 3.366 0.318 7 0 "[ . 1 . 2]" 1
130 1 21 GLN HA 1 24 LEU H 3.800 3.300 4.300 3.039 3.019 3.058 0.281 9 0 "[ . 1 . 2]" 1
131 1 21 GLN QB 1 22 GLN H 3.700 3.300 4.100 3.911 3.888 3.977 . 0 0 "[ . 1 . 2]" 1
132 1 21 GLN QE 1 21 GLN QG 3.300 2.900 3.700 2.538 2.468 2.612 0.432 7 0 "[ . 1 . 2]" 1
133 1 22 GLN H 1 23 HIS H 2.700 2.400 3.000 2.532 2.526 2.533 . 0 0 "[ . 1 . 2]" 1
134 1 22 GLN HA 1 23 HIS H 2.800 2.500 3.100 3.383 3.380 3.396 0.296 1 0 "[ . 1 . 2]" 1
135 1 22 GLN HA 1 24 LEU H 3.600 3.200 4.000 4.460 4.421 4.485 0.485 10 0 "[ . 1 . 2]" 1
136 1 22 GLN HA 1 25 LEU H 3.300 2.900 3.700 3.722 3.611 3.817 0.117 7 0 "[ . 1 . 2]" 1
137 1 22 GLN QB 1 23 HIS H 2.800 2.500 3.100 3.027 3.014 3.030 . 0 0 "[ . 1 . 2]" 1
138 1 22 GLN QB 1 24 LEU H 4.300 3.800 4.800 4.934 4.890 4.951 0.151 10 0 "[ . 1 . 2]" 1
139 1 22 GLN QE 1 22 GLN QG 3.200 2.800 3.600 2.520 2.513 2.560 0.287 9 0 "[ . 1 . 2]" 1
140 1 22 GLN QG 1 23 HIS H 4.000 3.600 4.400 4.664 4.647 4.667 0.267 17 0 "[ . 1 . 2]" 1
141 1 23 HIS H 1 24 LEU H 2.800 2.500 3.100 2.398 2.385 2.405 0.115 1 0 "[ . 1 . 2]" 1
142 1 23 HIS H 1 25 LEU H 4.500 4.000 5.000 3.837 3.780 3.879 0.220 20 0 "[ . 1 . 2]" 1
143 1 23 HIS HA 1 24 LEU H 3.300 2.900 3.700 3.545 3.538 3.548 . 0 0 "[ . 1 . 2]" 1
144 1 23 HIS HA 1 26 GLN H 4.100 3.600 4.600 3.678 3.640 3.732 . 0 0 "[ . 1 . 2]" 1
145 1 23 HIS HA 1 27 LEU H 4.300 3.800 4.800 4.244 4.023 4.470 . 0 0 "[ . 1 . 2]" 1
146 1 23 HIS QB 1 24 LEU H 3.000 2.600 3.400 2.560 2.541 2.598 0.059 10 0 "[ . 1 . 2]" 1
147 1 24 LEU HA 1 25 LEU H 3.600 3.200 4.000 3.450 3.434 3.464 . 0 0 "[ . 1 . 2]" 1
148 1 24 LEU HA 1 27 LEU H 3.100 2.700 3.500 3.341 3.151 3.626 0.126 7 0 "[ . 1 . 2]" 1
149 1 24 LEU QB 1 25 LEU H 2.500 2.200 2.800 2.977 2.928 3.023 0.223 9 0 "[ . 1 . 2]" 1
150 1 25 LEU H 1 26 GLN H 2.800 2.500 3.100 2.768 2.659 2.914 . 0 0 "[ . 1 . 2]" 1
151 1 25 LEU H 1 27 LEU H 4.200 3.700 4.700 3.921 3.779 4.313 . 0 0 "[ . 1 . 2]" 1
152 1 25 LEU H 1 28 THR H 4.200 3.700 4.700 4.493 4.399 4.666 . 0 0 "[ . 1 . 2]" 1
153 1 25 LEU HA 1 26 GLN H 3.300 2.900 3.700 3.556 3.532 3.572 . 0 0 "[ . 1 . 2]" 1
154 1 25 LEU HA 1 29 VAL H 3.600 3.200 4.000 4.471 4.364 4.638 0.638 9 4 "[ - * +1 . *2]" 1
155 1 25 LEU QB 1 26 GLN H 2.600 2.300 2.900 2.484 2.113 2.687 0.187 7 0 "[ . 1 . 2]" 1
156 1 25 LEU QD 1 26 GLN H 3.600 3.200 4.000 3.639 3.335 3.810 . 0 0 "[ . 1 . 2]" 1
157 1 26 GLN H 1 27 LEU H 2.500 2.200 2.800 2.366 2.274 2.487 . 0 0 "[ . 1 . 2]" 1
158 1 26 GLN H 1 28 THR H 4.000 3.600 4.400 3.988 3.842 4.112 . 0 0 "[ . 1 . 2]" 1
159 1 26 GLN HA 1 27 LEU H 3.100 2.700 3.500 3.512 3.479 3.554 0.054 20 0 "[ . 1 . 2]" 1
160 1 26 GLN HA 1 28 THR H 3.900 3.500 4.300 4.334 4.011 4.540 0.240 18 0 "[ . 1 . 2]" 1
161 1 26 GLN HA 1 29 VAL H 3.300 2.900 3.700 3.428 3.148 3.568 . 0 0 "[ . 1 . 2]" 1
162 1 26 GLN HA 1 30 TRP H 3.600 3.200 4.000 3.944 3.719 4.084 0.084 12 0 "[ . 1 . 2]" 1
163 1 26 GLN QB 1 27 LEU H 2.600 2.300 2.900 2.670 2.413 2.819 . 0 0 "[ . 1 . 2]" 1
164 1 26 GLN QG 1 27 LEU H 3.900 3.500 4.300 4.501 4.372 4.571 0.271 12 0 "[ . 1 . 2]" 1
165 1 27 LEU HA 1 28 THR H 3.400 3.000 3.800 3.545 3.502 3.573 . 0 0 "[ . 1 . 2]" 1
166 1 27 LEU HA 1 29 VAL H 4.300 3.800 4.800 4.497 4.272 4.676 . 0 0 "[ . 1 . 2]" 1
167 1 27 LEU HA 1 30 TRP H 3.200 2.800 3.600 3.477 3.413 3.520 . 0 0 "[ . 1 . 2]" 1
168 1 27 LEU HA 1 31 GLY H 4.100 3.600 4.600 3.685 3.480 3.828 0.120 17 0 "[ . 1 . 2]" 1
169 1 27 LEU QB 1 28 THR H 2.500 2.200 2.800 2.649 2.456 2.866 0.066 9 0 "[ . 1 . 2]" 1
170 1 27 LEU QD 1 28 THR H 3.200 2.800 3.600 3.733 3.640 3.850 0.250 9 0 "[ . 1 . 2]" 1
171 1 27 LEU QD 1 30 TRP H 4.600 4.100 5.100 4.308 4.233 4.440 . 0 0 "[ . 1 . 2]" 1
172 1 27 LEU QD 1 31 GLY H 3.700 3.200 4.200 3.291 3.012 3.469 0.188 17 0 "[ . 1 . 2]" 1
173 1 27 LEU HG 1 28 THR H 4.500 4.000 5.000 5.038 4.937 5.132 0.132 9 0 "[ . 1 . 2]" 1
174 1 28 THR H 1 29 VAL H 2.500 2.200 2.800 2.662 2.420 2.902 0.102 20 0 "[ . 1 . 2]" 1
175 1 28 THR H 1 30 TRP H 3.600 3.200 4.000 4.003 3.846 4.153 0.153 20 0 "[ . 1 . 2]" 1
176 1 28 THR HA 1 29 VAL H 3.500 3.100 3.900 3.553 3.509 3.577 . 0 0 "[ . 1 . 2]" 1
177 1 28 THR HA 1 31 GLY H 3.800 3.400 4.200 3.438 3.380 3.589 0.020 16 0 "[ . 1 . 2]" 1
178 1 28 THR HA 1 32 ILE H 4.100 3.600 4.600 4.115 3.948 4.260 . 0 0 "[ . 1 . 2]" 1
179 1 28 THR HB 1 29 VAL H 2.700 2.400 3.000 2.595 2.382 2.888 0.018 20 0 "[ . 1 . 2]" 1
180 1 28 THR HB 1 30 TRP H 4.700 4.200 5.200 4.920 4.815 5.084 . 0 0 "[ . 1 . 2]" 1
181 1 28 THR HG1 1 29 VAL H 3.100 2.700 3.500 3.287 3.146 3.449 . 0 0 "[ . 1 . 2]" 1
182 1 28 THR HG1 1 31 GLY H 4.700 4.200 5.200 4.571 4.447 4.791 . 0 0 "[ . 1 . 2]" 1
183 1 29 VAL H 1 30 TRP H 2.600 2.300 2.900 2.536 2.378 2.658 . 0 0 "[ . 1 . 2]" 1
184 1 29 VAL H 1 31 GLY H 4.500 4.000 5.000 3.841 3.682 4.191 0.318 9 0 "[ . 1 . 2]" 1
185 1 29 VAL H 1 32 ILE H 4.200 3.700 4.700 4.877 4.764 5.011 0.311 14 0 "[ . 1 . 2]" 1
186 1 29 VAL HA 1 30 TRP H 3.600 3.200 4.000 3.506 3.485 3.525 . 0 0 "[ . 1 . 2]" 1
187 1 29 VAL HA 1 31 GLY H 4.200 3.700 4.700 4.310 4.146 4.809 0.109 17 0 "[ . 1 . 2]" 1
188 1 29 VAL HA 1 32 ILE H 3.100 2.700 3.500 3.775 3.696 3.934 0.434 17 0 "[ . 1 . 2]" 1
189 1 29 VAL HA 1 33 LYS H 3.800 3.400 4.200 4.785 4.683 4.919 0.719 17 19 "[***** *******-**+***]" 1
190 1 29 VAL HB 1 30 TRP H 2.800 2.500 3.100 2.726 2.600 2.835 . 0 0 "[ . 1 . 2]" 1
191 1 29 VAL QG 1 30 TRP H 2.900 2.600 3.200 3.252 3.175 3.309 0.109 17 0 "[ . 1 . 2]" 1
192 1 29 VAL QG 1 33 LYS H 4.300 3.800 4.800 4.625 4.471 4.736 . 0 0 "[ . 1 . 2]" 1
193 1 30 TRP H 1 31 GLY H 2.800 2.500 3.100 2.380 2.324 2.466 0.176 1 0 "[ . 1 . 2]" 1
194 1 30 TRP H 1 32 ILE H 3.300 2.900 3.700 4.075 3.925 4.238 0.538 10 2 "[ . + . -]" 1
195 1 30 TRP HA 1 31 GLY H 3.900 3.500 4.300 3.498 3.471 3.575 0.029 6 0 "[ . 1 . 2]" 1
196 1 30 TRP HA 1 33 LYS H 3.600 3.200 4.000 3.381 3.230 3.469 . 0 0 "[ . 1 . 2]" 1
197 1 30 TRP HA 1 34 GLN H 4.400 3.900 4.900 4.080 3.919 4.213 . 0 0 "[ . 1 . 2]" 1
198 1 30 TRP QB 1 31 GLY H 4.000 3.500 4.500 2.940 2.601 3.037 0.899 17 13 "[* * * - *****+***]" 1
199 1 31 GLY H 1 32 ILE H 2.800 2.500 3.100 2.571 2.443 2.806 0.057 9 0 "[ . 1 . 2]" 1
200 1 31 GLY H 1 33 LYS H 4.100 3.600 4.600 3.988 3.877 4.261 . 0 0 "[ . 1 . 2]" 1
201 1 31 GLY H 1 34 GLN H 4.500 4.000 5.000 4.977 4.850 5.174 0.174 9 0 "[ . 1 . 2]" 1
202 1 31 GLY QA 1 32 ILE H 2.800 2.500 3.100 2.738 2.683 2.823 . 0 0 "[ . 1 . 2]" 1
203 1 31 GLY QA 1 33 LYS H 4.300 3.800 4.800 3.877 3.778 4.146 0.022 8 0 "[ . 1 . 2]" 1
204 1 31 GLY QA 1 34 GLN H 3.400 3.000 3.800 3.658 3.479 3.854 0.054 9 0 "[ . 1 . 2]" 1
205 1 31 GLY QA 1 35 LEU H 4.600 4.100 5.100 3.980 3.789 4.123 0.311 10 0 "[ . 1 . 2]" 1
206 1 32 ILE H 1 32 ILE QG 2.500 2.200 2.800 1.961 1.874 2.039 0.326 14 0 "[ . 1 . 2]" 1
207 1 32 ILE H 1 32 ILE MG 3.100 2.700 3.500 2.345 2.175 2.496 0.525 18 1 "[ . 1 . + 2]" 1
208 1 32 ILE H 1 33 LYS H 2.600 2.300 2.900 2.512 2.406 2.641 . 0 0 "[ . 1 . 2]" 1
209 1 32 ILE H 1 34 GLN H 4.100 3.600 4.600 4.462 4.379 4.548 . 0 0 "[ . 1 . 2]" 1
210 1 32 ILE H 1 35 LEU H 4.600 4.100 5.100 4.731 4.603 4.785 . 0 0 "[ . 1 . 2]" 1
211 1 32 ILE HA 1 33 LYS H 3.400 3.000 3.800 3.447 3.420 3.502 . 0 0 "[ . 1 . 2]" 1
212 1 32 ILE HA 1 34 GLN H 4.100 3.600 4.600 4.859 4.653 5.057 0.457 9 0 "[ . 1 . 2]" 1
213 1 32 ILE HA 1 35 LEU H 3.200 2.800 3.600 3.604 3.389 3.737 0.137 5 0 "[ . 1 . 2]" 1
214 1 32 ILE HA 1 36 GLN H 4.200 3.700 4.700 3.699 3.612 3.830 0.088 15 0 "[ . 1 . 2]" 1
215 1 32 ILE HB 1 33 LYS H 3.700 3.300 4.100 3.772 3.459 3.880 . 0 0 "[ . 1 . 2]" 1
216 1 32 ILE MD 1 33 LYS H 3.900 3.500 4.300 3.898 3.601 4.012 . 0 0 "[ . 1 . 2]" 1
217 1 32 ILE QG 1 33 LYS H 2.800 2.500 3.100 2.136 1.792 2.264 0.708 14 1 "[ . 1 +. 2]" 1
218 1 32 ILE MG 1 33 LYS H 3.200 2.800 3.600 3.999 3.949 4.032 0.432 11 0 "[ . 1 . 2]" 1
219 1 33 LYS H 1 34 GLN H 2.600 2.300 2.900 2.697 2.621 2.834 . 0 0 "[ . 1 . 2]" 1
220 1 33 LYS H 1 35 LEU H 3.900 3.500 4.300 3.680 3.607 3.897 . 0 0 "[ . 1 . 2]" 1
221 1 33 LYS H 1 36 GLN H 4.400 3.900 4.900 4.833 4.571 5.159 0.259 20 0 "[ . 1 . 2]" 1
222 1 33 LYS HA 1 34 GLN H 3.600 3.200 4.000 3.570 3.561 3.577 . 0 0 "[ . 1 . 2]" 1
223 1 33 LYS HA 1 35 LEU H 4.100 3.600 4.600 4.045 3.903 4.380 . 0 0 "[ . 1 . 2]" 1
224 1 33 LYS HA 1 36 GLN H 3.400 3.000 3.800 3.907 3.624 4.300 0.500 10 1 "[ . + . 2]" 1
225 1 33 LYS HA 1 37 ALA H 4.400 3.900 4.900 4.130 3.921 4.272 . 0 0 "[ . 1 . 2]" 1
226 1 33 LYS QB 1 34 GLN H 3.200 2.800 3.600 2.300 2.157 2.427 0.643 9 10 "[* *****+1 * - *2]" 1
227 1 33 LYS QD 1 34 GLN H 3.600 3.200 4.000 3.477 3.337 3.585 . 0 0 "[ . 1 . 2]" 1
228 1 34 GLN H 1 34 GLN QE 3.800 3.400 4.200 4.551 4.421 4.696 0.496 15 0 "[ . 1 . 2]" 1
229 1 34 GLN H 1 35 LEU H 2.500 2.200 2.800 2.593 2.507 2.677 . 0 0 "[ . 1 . 2]" 1
230 1 34 GLN H 1 36 GLN H 3.900 3.500 4.300 4.754 4.601 4.904 0.604 20 6 "[ . * *.*-* +]" 1
231 1 34 GLN H 1 37 ALA H 4.200 3.700 4.700 5.009 4.906 5.116 0.416 7 0 "[ . 1 . 2]" 1
232 1 34 GLN HA 1 35 LEU H 3.500 3.100 3.900 3.454 3.430 3.510 . 0 0 "[ . 1 . 2]" 1
233 1 34 GLN HA 1 36 GLN H 4.500 4.000 5.000 5.097 4.966 5.200 0.200 14 0 "[ . 1 . 2]" 1
234 1 34 GLN HA 1 37 ALA H 3.700 3.300 4.100 3.873 3.740 3.957 . 0 0 "[ . 1 . 2]" 1
235 1 34 GLN HA 1 38 ARG H 4.700 4.200 5.200 4.757 4.700 4.825 . 0 0 "[ . 1 . 2]" 1
236 1 34 GLN QB 1 34 GLN QE 4.000 3.500 4.500 3.305 3.259 3.367 0.241 12 0 "[ . 1 . 2]" 1
237 1 34 GLN QB 1 35 LEU H 3.000 2.600 3.400 2.959 2.764 3.020 . 0 0 "[ . 1 . 2]" 1
238 1 34 GLN QB 1 37 ALA H 4.900 4.400 5.400 5.340 5.206 5.417 0.017 13 0 "[ . 1 . 2]" 1
239 1 34 GLN QE 1 34 GLN QG 2.800 2.400 3.200 2.253 2.227 2.276 0.173 13 0 "[ . 1 . 2]" 1
240 1 34 GLN QG 1 35 LEU H 4.500 4.000 5.000 4.271 4.187 4.326 . 0 0 "[ . 1 . 2]" 1
241 1 35 LEU H 1 36 GLN H 2.600 2.300 2.900 2.715 2.508 3.036 0.136 20 0 "[ . 1 . 2]" 1
242 1 35 LEU H 1 37 ALA H 4.300 3.800 4.800 3.900 3.723 4.113 0.077 3 0 "[ . 1 . 2]" 1
243 1 35 LEU HA 1 36 GLN H 3.000 2.600 3.400 3.559 3.552 3.562 0.162 7 0 "[ . 1 . 2]" 1
244 1 35 LEU HA 1 37 ALA H 3.900 3.500 4.300 4.415 4.204 4.611 0.311 20 0 "[ . 1 . 2]" 1
245 1 35 LEU HA 1 38 ARG H 3.500 3.100 3.900 3.430 3.287 3.728 . 0 0 "[ . 1 . 2]" 1
246 1 35 LEU QB 1 36 GLN H 2.800 2.500 3.100 2.124 1.949 2.290 0.551 20 4 "[ . * -. * +]" 1
247 1 35 LEU QD 1 36 GLN H 3.500 3.100 3.900 3.434 3.352 3.508 . 0 0 "[ . 1 . 2]" 1
248 1 35 LEU HG 1 36 GLN H 3.300 2.900 3.700 3.257 3.035 3.481 . 0 0 "[ . 1 . 2]" 1
249 1 35 LEU HG 1 37 ALA H 4.800 4.300 5.300 5.232 5.015 5.322 0.022 20 0 "[ . 1 . 2]" 1
250 1 36 GLN H 1 37 ALA H 2.800 2.500 3.100 2.900 2.838 2.973 . 0 0 "[ . 1 . 2]" 1
251 1 36 GLN H 1 38 ARG H 4.400 3.900 4.900 3.921 3.887 3.978 0.013 4 0 "[ . 1 . 2]" 1
252 1 36 GLN HA 1 37 ALA H 3.300 2.900 3.700 3.543 3.517 3.559 . 0 0 "[ . 1 . 2]" 1
253 1 36 GLN HA 1 38 ARG H 4.100 3.600 4.600 3.644 3.448 3.812 0.152 20 0 "[ . 1 . 2]" 1
254 1 36 GLN HA 1 39 SER H 3.200 2.800 3.600 4.043 3.766 4.383 0.783 9 7 "[* *-* +1 * *2]" 1
255 1 36 GLN QB 1 36 GLN QE 3.100 2.700 3.500 2.531 2.388 2.709 0.312 20 0 "[ . 1 . 2]" 1
256 1 36 GLN QB 1 37 ALA H 2.900 2.600 3.200 2.529 2.401 2.685 0.199 14 0 "[ . 1 . 2]" 1
257 1 36 GLN QB 1 38 ARG H 4.700 4.200 5.200 4.313 4.226 4.418 . 0 0 "[ . 1 . 2]" 1
258 1 36 GLN QE 1 36 GLN QG 2.800 2.400 3.200 2.373 2.295 2.458 0.105 1 0 "[ . 1 . 2]" 1
259 1 36 GLN QG 1 37 ALA H 3.900 3.500 4.300 4.276 4.136 4.378 0.078 15 0 "[ . 1 . 2]" 1
260 1 37 ALA H 1 38 ARG H 2.300 . 2.600 2.556 2.441 2.707 0.107 20 0 "[ . 1 . 2]" 1
261 1 37 ALA H 1 39 SER H 4.000 3.500 4.500 4.390 4.345 4.448 . 0 0 "[ . 1 . 2]" 1
262 1 37 ALA HA 1 38 ARG H 3.200 2.800 3.600 3.350 3.333 3.365 . 0 0 "[ . 1 . 2]" 1
263 1 37 ALA HA 1 39 SER H 4.500 4.000 5.000 3.566 3.408 3.744 0.592 19 5 "[- . * *1 . * +2]" 1
264 1 37 ALA MB 1 38 ARG H 2.900 2.600 3.200 3.161 3.131 3.191 . 0 0 "[ . 1 . 2]" 1
265 1 37 ALA MB 1 39 SER H 4.600 4.100 5.100 4.421 4.307 4.540 . 0 0 "[ . 1 . 2]" 1
266 1 38 ARG H 1 39 SER H 2.600 2.300 2.900 2.521 2.402 2.659 . 0 0 "[ . 1 . 2]" 1
267 1 38 ARG HA 1 39 SER H 2.800 2.500 3.100 3.418 3.370 3.458 0.358 15 0 "[ . 1 . 2]" 1
268 1 38 ARG QB 1 39 SER H 3.600 3.200 4.000 3.010 2.875 3.148 0.325 15 0 "[ . 1 . 2]" 1
269 1 38 ARG HE 1 38 ARG QG 3.400 3.000 3.800 2.586 2.529 2.638 0.471 12 0 "[ . 1 . 2]" 1
270 1 38 ARG HE 1 38 ARG QH 2.900 2.600 3.200 2.228 2.228 2.229 0.372 13 0 "[ . 1 . 2]" 1
271 1 38 ARG QG 1 39 SER H 3.200 2.800 3.600 4.125 4.026 4.257 0.657 17 12 "[** . -* * ***. +***]" 1
272 1 39 SER H 1 40 GLY H 4.500 4.000 5.000 4.619 4.599 4.632 . 0 0 "[ . 1 . 2]" 1
273 1 39 SER HA 1 40 GLY H 3.100 2.700 3.500 2.357 2.279 2.433 0.421 14 0 "[ . 1 . 2]" 1
274 1 40 GLY H 1 41 GLY H 3.200 2.800 3.600 3.218 3.086 3.397 . 0 0 "[ . 1 . 2]" 1
275 1 41 GLY H 1 42 ARG H 3.700 3.300 4.100 4.574 4.556 4.585 0.485 14 0 "[ . 1 . 2]" 1
276 1 41 GLY QA 1 42 ARG H 2.600 2.300 2.900 2.183 2.161 2.213 0.139 6 0 "[ . 1 . 2]" 1
277 1 41 GLY QA 1 43 GLY H 4.300 3.800 4.800 3.955 3.797 4.084 0.003 16 0 "[ . 1 . 2]" 1
278 1 42 ARG H 1 43 GLY H 2.900 2.600 3.200 3.367 3.175 3.552 0.352 15 0 "[ . 1 . 2]" 1
279 1 42 ARG HA 1 43 GLY H 2.600 2.300 2.900 2.438 2.369 2.524 . 0 0 "[ . 1 . 2]" 1
280 1 42 ARG QB 1 43 GLY H 3.200 2.800 3.600 3.871 3.844 3.889 0.289 16 0 "[ . 1 . 2]" 1
281 1 42 ARG HE 1 42 ARG QG 2.900 2.500 3.300 2.427 2.397 2.461 0.103 15 0 "[ . 1 . 2]" 1
282 1 42 ARG HE 1 42 ARG QH 2.800 2.400 3.200 2.217 2.217 2.218 0.183 13 0 "[ . 1 . 2]" 1
283 1 42 ARG QG 1 43 GLY H 4.900 4.400 5.400 4.405 4.376 4.436 0.024 1 0 "[ . 1 . 2]" 1
284 1 43 GLY H 1 44 GLY H 4.100 3.600 4.600 4.433 4.400 4.475 . 0 0 "[ . 1 . 2]" 1
285 1 44 GLY H 1 45 TRP H 4.500 4.000 5.000 4.294 4.218 4.375 . 0 0 "[ . 1 . 2]" 1
286 1 44 GLY QA 1 45 TRP H 2.400 2.100 2.700 2.122 2.120 2.128 . 0 0 "[ . 1 . 2]" 1
287 1 44 GLY QA 1 46 MET H 4.000 3.500 4.500 3.374 3.276 3.509 0.224 7 0 "[ . 1 . 2]" 1
288 1 45 TRP H 1 46 MET H 2.700 2.400 3.000 1.921 1.864 2.015 0.536 18 5 "[ * . 1 * .*-+ 2]" 1
289 1 45 TRP H 1 47 GLU H 4.500 4.000 5.000 4.054 3.960 4.216 0.040 13 0 "[ . 1 . 2]" 1
290 1 45 TRP HA 1 46 MET H 3.100 2.700 3.500 3.464 3.407 3.517 0.017 4 0 "[ . 1 . 2]" 1
291 1 45 TRP HA 1 47 GLU H 4.700 4.200 5.200 4.319 4.076 4.525 0.124 4 0 "[ . 1 . 2]" 1
292 1 45 TRP HA 1 48 TRP H 4.400 3.900 4.900 4.245 4.155 4.350 . 0 0 "[ . 1 . 2]" 1
293 1 45 TRP HA 1 49 ASP H 4.900 4.400 5.400 5.131 4.803 5.604 0.204 2 0 "[ . 1 . 2]" 1
294 1 45 TRP QB 1 46 MET H 3.300 2.900 3.700 3.006 2.818 3.166 0.082 4 0 "[ . 1 . 2]" 1
295 1 45 TRP QB 1 47 GLU H 4.600 4.100 5.100 5.042 4.845 5.176 0.076 16 0 "[ . 1 . 2]" 1
296 1 46 MET H 1 47 GLU H 2.800 2.500 3.100 2.756 2.551 2.871 . 0 0 "[ . 1 . 2]" 1
297 1 46 MET H 1 48 TRP H 4.900 4.400 5.400 5.217 4.762 5.450 0.050 4 0 "[ . 1 . 2]" 1
298 1 46 MET HA 1 47 GLU H 2.900 2.600 3.200 3.518 3.512 3.533 0.333 1 0 "[ . 1 . 2]" 1
299 1 46 MET HA 1 48 TRP H 4.800 4.300 5.300 5.152 4.547 5.418 0.118 19 0 "[ . 1 . 2]" 1
300 1 46 MET HA 1 49 ASP H 3.500 3.100 3.900 3.483 3.224 3.628 . 0 0 "[ . 1 . 2]" 1
301 1 47 GLU H 1 48 TRP H 2.800 2.500 3.100 3.476 3.334 3.539 0.439 10 0 "[ . 1 . 2]" 1
302 1 47 GLU HA 1 48 TRP H 3.700 3.400 4.000 3.591 3.577 3.612 . 0 0 "[ . 1 . 2]" 1
303 1 47 GLU HA 1 49 ASP H 3.600 3.200 4.000 3.840 3.793 3.882 . 0 0 "[ . 1 . 2]" 1
304 1 47 GLU HA 1 50 ARG H 4.500 4.000 5.000 4.163 4.021 4.481 . 0 0 "[ . 1 . 2]" 1
305 1 47 GLU HA 1 51 GLU H 4.500 4.000 5.000 5.225 5.031 5.573 0.573 2 3 "[ + . 1 * .- 2]" 1
306 1 47 GLU QB 1 48 TRP H 2.600 2.300 2.900 2.122 1.967 2.401 0.333 15 0 "[ . 1 . 2]" 1
307 1 47 GLU QB 1 49 ASP H 3.800 3.400 4.200 4.026 3.950 4.213 0.013 2 0 "[ . 1 . 2]" 1
308 1 47 GLU QG 1 48 TRP H 3.400 3.000 3.800 3.997 3.856 4.216 0.416 2 0 "[ . 1 . 2]" 1
309 1 48 TRP H 1 49 ASP H 2.600 2.300 2.900 2.849 2.736 2.910 0.010 10 0 "[ . 1 . 2]" 1
310 1 48 TRP HA 1 49 ASP H 3.200 2.800 3.600 3.381 3.303 3.416 . 0 0 "[ . 1 . 2]" 1
311 1 48 TRP HA 1 50 ARG H 4.000 3.500 4.500 3.510 3.403 3.581 0.097 12 0 "[ . 1 . 2]" 1
312 1 48 TRP HA 1 51 GLU H 3.600 3.200 4.000 3.401 3.286 3.457 . 0 0 "[ . 1 . 2]" 1
313 1 48 TRP HA 1 52 ILE H 4.500 4.000 5.000 3.987 3.896 4.087 0.104 16 0 "[ . 1 . 2]" 1
314 1 48 TRP QB 1 49 ASP H 3.300 2.900 3.700 3.324 3.259 3.469 . 0 0 "[ . 1 . 2]" 1
315 1 48 TRP QB 1 50 ARG H 4.400 3.900 4.900 4.608 4.574 4.642 . 0 0 "[ . 1 . 2]" 1
316 1 48 TRP HD1 1 49 ASP H 4.800 4.300 5.300 4.701 4.540 4.835 . 0 0 "[ . 1 . 2]" 1
317 1 49 ASP H 1 50 ARG H 2.700 2.400 3.000 2.485 2.475 2.490 . 0 0 "[ . 1 . 2]" 1
318 1 49 ASP H 1 51 GLU H 4.400 3.900 4.900 4.401 4.371 4.428 . 0 0 "[ . 1 . 2]" 1
319 1 49 ASP HA 1 50 ARG H 3.200 2.800 3.600 3.351 3.331 3.375 . 0 0 "[ . 1 . 2]" 1
320 1 49 ASP HA 1 51 GLU H 4.000 3.500 4.500 4.867 4.816 4.916 0.416 16 0 "[ . 1 . 2]" 1
321 1 49 ASP HA 1 52 ILE H 3.600 3.200 4.000 4.058 4.000 4.121 0.121 16 0 "[ . 1 . 2]" 1
322 1 49 ASP HA 1 53 ASN H 4.900 4.400 5.400 5.506 5.465 5.545 0.145 16 0 "[ . 1 . 2]" 1
323 1 49 ASP QB 1 50 ARG H 2.900 2.600 3.200 3.279 3.224 3.318 0.118 5 0 "[ . 1 . 2]" 1
324 1 50 ARG H 1 51 GLU H 2.600 2.300 2.900 2.293 2.281 2.296 0.019 5 0 "[ . 1 . 2]" 1
325 1 50 ARG H 1 52 ILE H 3.800 3.400 4.200 3.668 3.667 3.669 . 0 0 "[ . 1 . 2]" 1
326 1 50 ARG HA 1 51 GLU H 3.200 2.800 3.600 3.549 3.546 3.551 . 0 0 "[ . 1 . 2]" 1
327 1 50 ARG HA 1 52 ILE H 4.200 3.700 4.700 4.393 4.391 4.399 . 0 0 "[ . 1 . 2]" 1
328 1 50 ARG HA 1 53 ASN H 4.400 3.900 4.900 3.903 3.901 3.904 . 0 0 "[ . 1 . 2]" 1
329 1 50 ARG HA 1 54 ASN H 4.900 4.400 5.400 5.448 5.417 5.455 0.055 18 0 "[ . 1 . 2]" 1
330 1 50 ARG QB 1 50 ARG HE 3.300 2.900 3.700 2.728 2.723 2.748 0.177 10 0 "[ . 1 . 2]" 1
331 1 50 ARG QB 1 52 ILE H 4.100 3.600 4.600 4.590 4.587 4.599 . 0 0 "[ . 1 . 2]" 1
332 1 50 ARG QD 1 51 GLU H 4.600 4.100 5.100 4.467 4.463 4.483 . 0 0 "[ . 1 . 2]" 1
333 1 50 ARG HE 1 50 ARG QG 2.800 2.400 3.200 2.316 2.310 2.318 0.090 4 0 "[ . 1 . 2]" 1
334 1 50 ARG HE 1 50 ARG QH 2.900 2.600 3.200 2.228 2.226 2.229 0.374 5 0 "[ . 1 . 2]" 1
335 1 50 ARG QG 1 51 GLU H 3.700 3.300 4.100 3.890 3.884 3.915 . 0 0 "[ . 1 . 2]" 1
336 1 51 GLU H 1 52 ILE H 2.600 2.300 2.900 2.718 2.717 2.719 . 0 0 "[ . 1 . 2]" 1
337 1 51 GLU H 1 53 ASN H 3.800 3.400 4.200 4.147 4.144 4.149 . 0 0 "[ . 1 . 2]" 1
338 1 51 GLU H 1 54 ASN H 4.400 3.900 4.900 5.171 5.141 5.178 0.278 10 0 "[ . 1 . 2]" 1
339 1 51 GLU HA 1 52 ILE H 3.200 2.800 3.600 3.520 3.519 3.522 . 0 0 "[ . 1 . 2]" 1
340 1 51 GLU HA 1 53 ASN H 3.900 3.500 4.300 3.537 3.536 3.540 . 0 0 "[ . 1 . 2]" 1
341 1 51 GLU HA 1 54 ASN H 3.400 3.000 3.800 3.085 3.059 3.091 . 0 0 "[ . 1 . 2]" 1
342 1 51 GLU HA 1 55 TYR H 4.000 3.500 4.500 4.775 4.761 4.778 0.278 17 0 "[ . 1 . 2]" 1
343 1 51 GLU QB 1 52 ILE H 3.100 2.700 3.500 2.600 2.591 2.603 0.109 4 0 "[ . 1 . 2]" 1
344 1 51 GLU QG 1 52 ILE H 3.900 3.500 4.300 3.978 3.974 3.991 . 0 0 "[ . 1 . 2]" 1
345 1 52 ILE H 1 52 ILE MD 3.200 2.800 3.600 3.793 3.792 3.793 0.193 6 0 "[ . 1 . 2]" 1
346 1 52 ILE H 1 52 ILE QG 3.000 2.600 3.400 2.123 2.119 2.125 0.481 4 0 "[ . 1 . 2]" 1
347 1 52 ILE H 1 52 ILE MG 3.100 2.700 3.500 2.246 2.243 2.247 0.457 4 0 "[ . 1 . 2]" 1
348 1 52 ILE H 1 53 ASN H 2.500 2.200 2.800 2.796 2.795 2.798 . 0 0 "[ . 1 . 2]" 1
349 1 52 ILE H 1 54 ASN H 3.600 3.200 4.000 4.445 4.434 4.448 0.448 17 0 "[ . 1 . 2]" 1
350 1 52 ILE HA 1 53 ASN H 3.000 2.600 3.400 3.454 3.453 3.455 0.055 5 0 "[ . 1 . 2]" 1
351 1 52 ILE HA 1 54 ASN H 4.100 3.600 4.600 4.469 4.465 4.486 . 0 0 "[ . 1 . 2]" 1
352 1 52 ILE HA 1 55 TYR H 3.400 3.000 3.800 3.706 3.703 3.718 . 0 0 "[ . 1 . 2]" 1
353 1 52 ILE HB 1 53 ASN H 3.700 3.300 4.100 3.956 3.947 3.958 . 0 0 "[ . 1 . 2]" 1
354 1 52 ILE MD 1 53 ASN H 3.700 3.300 4.100 3.895 3.892 3.909 . 0 0 "[ . 1 . 2]" 1
355 1 52 ILE MD 1 53 ASN QD 4.300 3.800 4.800 4.075 4.075 4.076 . 0 0 "[ . 1 . 2]" 1
356 1 52 ILE QG 1 53 ASN H 2.800 2.400 3.200 2.223 2.216 2.226 0.184 4 0 "[ . 1 . 2]" 1
357 1 52 ILE MG 1 53 ASN H 3.900 3.500 4.300 4.147 4.136 4.149 . 0 0 "[ . 1 . 2]" 1
358 1 52 ILE MG 1 55 TYR H 4.600 4.100 5.100 5.407 5.405 5.413 0.313 5 0 "[ . 1 . 2]" 1
359 1 53 ASN H 1 53 ASN QD 3.500 3.100 3.900 4.264 4.245 4.268 0.368 12 0 "[ . 1 . 2]" 1
360 1 53 ASN H 1 54 ASN H 2.600 2.300 2.900 2.420 2.413 2.423 . 0 0 "[ . 1 . 2]" 1
361 1 53 ASN HA 1 54 ASN H 3.700 3.300 4.100 3.562 3.561 3.563 . 0 0 "[ . 1 . 2]" 1
362 1 53 ASN HA 1 55 TYR H 3.900 3.500 4.300 4.198 4.128 4.212 . 0 0 "[ . 1 . 2]" 1
363 1 53 ASN HA 1 56 THR H 4.300 3.800 4.800 3.352 3.308 3.360 0.492 4 0 "[ . 1 . 2]" 1
364 1 53 ASN HA 1 57 SER H 4.600 4.100 5.100 4.559 4.532 4.565 . 0 0 "[ . 1 . 2]" 1
365 1 53 ASN QB 1 53 ASN QD 2.700 2.300 3.100 2.238 2.234 2.256 0.066 3 0 "[ . 1 . 2]" 1
366 1 53 ASN QB 1 54 ASN H 3.200 2.800 3.600 2.577 2.576 2.582 0.224 17 0 "[ . 1 . 2]" 1
367 1 54 ASN H 1 54 ASN QD 3.600 3.200 4.000 4.191 4.187 4.213 0.213 1 0 "[ . 1 . 2]" 1
368 1 54 ASN H 1 55 TYR H 2.500 2.200 2.800 2.776 2.766 2.779 . 0 0 "[ . 1 . 2]" 1
369 1 54 ASN H 1 56 THR H 3.900 3.500 4.300 3.925 3.923 3.931 . 0 0 "[ . 1 . 2]" 1
370 1 54 ASN HA 1 54 ASN QD 3.800 3.400 4.200 2.998 2.989 3.041 0.411 12 0 "[ . 1 . 2]" 1
371 1 54 ASN HA 1 57 SER H 4.100 3.600 4.600 3.724 3.713 3.780 . 0 0 "[ . 1 . 2]" 1
372 1 54 ASN QB 1 54 ASN QD 2.800 2.400 3.200 2.259 2.246 2.262 0.154 1 0 "[ . 1 . 2]" 1
373 1 55 TYR H 1 56 THR H 2.500 2.200 2.800 2.484 2.450 2.491 . 0 0 "[ . 1 . 2]" 1
374 1 55 TYR HA 1 56 THR H 3.500 3.100 3.900 3.301 3.296 3.303 . 0 0 "[ . 1 . 2]" 1
375 1 55 TYR HA 1 58 LEU H 3.500 3.100 3.900 3.620 3.588 3.626 . 0 0 "[ . 1 . 2]" 1
376 1 55 TYR QB 1 56 THR H 3.200 2.800 3.600 3.299 3.297 3.311 . 0 0 "[ . 1 . 2]" 1
377 1 55 TYR QD 1 56 THR H 4.600 4.100 5.100 4.506 4.500 4.534 . 0 0 "[ . 1 . 2]" 1
378 1 56 THR H 1 57 SER H 2.600 2.300 2.900 2.409 2.399 2.412 . 0 0 "[ . 1 . 2]" 1
379 1 56 THR H 1 58 LEU H 4.400 3.900 4.900 3.662 3.649 3.665 0.251 1 0 "[ . 1 . 2]" 1
380 1 56 THR HA 1 57 SER H 3.200 2.800 3.600 3.549 3.543 3.551 . 0 0 "[ . 1 . 2]" 1
381 1 56 THR HA 1 58 LEU H 4.300 3.800 4.800 4.422 4.411 4.425 . 0 0 "[ . 1 . 2]" 1
382 1 56 THR HA 1 59 ILE H 4.200 3.700 4.700 4.108 4.105 4.122 . 0 0 "[ . 1 . 2]" 1
383 1 56 THR HB 1 57 SER H 2.900 2.600 3.200 2.620 2.617 2.626 . 0 0 "[ . 1 . 2]" 1
384 1 56 THR HG1 1 57 SER H 3.400 3.000 3.800 3.604 3.602 3.608 . 0 0 "[ . 1 . 2]" 1
385 1 56 THR HG1 1 59 ILE H 4.500 4.000 5.000 4.999 4.994 5.024 0.024 1 0 "[ . 1 . 2]" 1
386 1 57 SER H 1 58 LEU H 2.600 2.300 2.900 2.368 2.357 2.371 . 0 0 "[ . 1 . 2]" 1
387 1 57 SER H 1 59 ILE H 3.900 3.500 4.300 4.102 4.098 4.115 . 0 0 "[ . 1 . 2]" 1
388 1 57 SER HA 1 58 LEU H 3.600 3.200 4.000 3.476 3.472 3.478 . 0 0 "[ . 1 . 2]" 1
389 1 57 SER HA 1 59 ILE H 4.200 3.700 4.700 3.973 3.967 3.998 . 0 0 "[ . 1 . 2]" 1
390 1 57 SER HA 1 60 HIS H 4.000 3.500 4.500 3.057 3.053 3.059 0.447 5 0 "[ . 1 . 2]" 1
391 1 57 SER HA 1 61 SER H 4.400 3.900 4.900 4.111 4.051 4.189 . 0 0 "[ . 1 . 2]" 1
392 1 57 SER QB 1 58 LEU H 3.700 3.300 4.100 2.988 2.985 2.998 0.315 2 0 "[ . 1 . 2]" 1
393 1 58 LEU H 1 59 ILE H 2.600 2.300 2.900 2.566 2.564 2.570 . 0 0 "[ . 1 . 2]" 1
394 1 58 LEU H 1 60 HIS H 4.300 3.800 4.800 3.905 3.886 3.909 . 0 0 "[ . 1 . 2]" 1
395 1 58 LEU HA 1 59 ILE H 3.300 2.900 3.700 3.488 3.486 3.489 . 0 0 "[ . 1 . 2]" 1
396 1 58 LEU QB 1 59 ILE H 2.500 2.200 2.800 2.786 2.760 2.792 . 0 0 "[ . 1 . 2]" 1
397 1 58 LEU QB 1 60 HIS H 4.900 4.400 5.400 4.662 4.640 4.668 . 0 0 "[ . 1 . 2]" 1
398 1 59 ILE H 1 59 ILE MD 3.700 3.300 4.100 4.370 4.369 4.371 0.271 14 0 "[ . 1 . 2]" 1
399 1 59 ILE H 1 59 ILE QG 3.200 2.800 3.600 3.970 3.969 3.970 0.370 14 0 "[ . 1 . 2]" 1
400 1 59 ILE H 1 59 ILE MG 2.600 2.200 3.000 1.950 1.937 1.953 0.263 4 0 "[ . 1 . 2]" 1
401 1 59 ILE H 1 60 HIS H 2.700 2.400 3.000 2.298 2.296 2.305 0.104 6 0 "[ . 1 . 2]" 1
402 1 59 ILE H 1 61 SER H 4.100 3.600 4.600 4.071 4.054 4.084 . 0 0 "[ . 1 . 2]" 1
403 1 59 ILE HA 1 60 HIS H 3.800 3.400 4.200 3.473 3.468 3.476 . 0 0 "[ . 1 . 2]" 1
404 1 59 ILE HA 1 61 SER H 4.700 4.200 5.200 4.170 4.118 4.221 0.082 14 0 "[ . 1 . 2]" 1
405 1 59 ILE HA 1 62 LEU H 4.000 3.500 4.500 3.433 3.340 3.537 0.160 3 0 "[ . 1 . 2]" 1
406 1 59 ILE HA 1 63 ILE H 4.200 3.700 4.700 4.409 4.212 4.560 . 0 0 "[ . 1 . 2]" 1
407 1 59 ILE HB 1 60 HIS H 3.700 3.300 4.100 4.178 4.174 4.191 0.091 1 0 "[ . 1 . 2]" 1
408 1 59 ILE MD 1 60 HIS H 4.300 3.800 4.800 4.981 4.975 4.997 0.197 1 0 "[ . 1 . 2]" 1
409 1 59 ILE QG 1 60 HIS H 4.700 4.200 5.200 4.000 3.996 4.014 0.204 6 0 "[ . 1 . 2]" 1
410 1 59 ILE MG 1 60 HIS H 2.800 2.400 3.200 2.512 2.505 2.527 . 0 0 "[ . 1 . 2]" 1
411 1 60 HIS H 1 61 SER H 2.800 2.500 3.100 2.463 2.443 2.484 0.057 1 0 "[ . 1 . 2]" 1
412 1 60 HIS H 1 62 LEU H 4.200 3.700 4.700 3.913 3.823 4.122 . 0 0 "[ . 1 . 2]" 1
413 1 60 HIS H 1 63 ILE H 4.500 4.000 5.000 4.865 4.788 4.908 . 0 0 "[ . 1 . 2]" 1
414 1 60 HIS HA 1 62 LEU H 3.400 3.000 3.800 4.204 3.990 4.363 0.563 13 7 "[ * .- 1 *+ ** * 2]" 1
415 1 60 HIS QB 1 61 SER H 2.900 2.600 3.200 2.794 2.773 2.817 . 0 0 "[ . 1 . 2]" 1
416 1 61 SER H 1 62 LEU H 2.600 2.300 2.900 2.377 2.320 2.511 . 0 0 "[ . 1 . 2]" 1
417 1 61 SER H 1 63 ILE H 4.000 3.500 4.500 3.989 3.894 4.099 . 0 0 "[ . 1 . 2]" 1
418 1 61 SER H 1 64 GLU H 4.400 3.900 4.900 4.926 4.758 5.017 0.117 5 0 "[ . 1 . 2]" 1
419 1 61 SER HA 1 62 LEU H 3.100 2.700 3.500 3.487 3.435 3.533 0.033 13 0 "[ . 1 . 2]" 1
420 1 61 SER HA 1 64 GLU H 4.000 3.500 4.500 3.863 3.522 4.095 . 0 0 "[ . 1 . 2]" 1
421 1 61 SER QB 1 62 LEU H 3.200 2.800 3.600 2.805 2.585 3.011 0.215 13 0 "[ . 1 . 2]" 1
422 1 62 LEU HA 1 63 ILE H 3.500 3.100 3.900 3.496 3.468 3.526 . 0 0 "[ . 1 . 2]" 1
423 1 62 LEU HA 1 64 GLU H 4.800 4.300 5.300 5.231 5.059 5.337 0.037 1 0 "[ . 1 . 2]" 1
424 1 62 LEU HA 1 65 GLU H 4.000 3.500 4.500 4.172 4.052 4.392 . 0 0 "[ . 1 . 2]" 1
425 1 62 LEU HA 1 66 SER H 4.700 4.200 5.200 4.056 3.771 4.247 0.429 19 0 "[ . 1 . 2]" 1
426 1 62 LEU QB 1 63 ILE H 3.400 3.000 3.800 2.713 2.561 2.829 0.439 11 0 "[ . 1 . 2]" 1
427 1 62 LEU QB 1 64 GLU H 4.400 3.900 4.900 5.094 5.015 5.243 0.343 6 0 "[ . 1 . 2]" 1
428 1 62 LEU HG 1 63 ILE H 3.300 2.900 3.700 4.246 4.084 4.417 0.717 13 15 "[ * .***-***+*.*****]" 1
429 1 63 ILE H 1 63 ILE MD 3.200 2.800 3.600 3.458 3.308 3.608 0.008 2 0 "[ . 1 . 2]" 1
430 1 63 ILE H 1 63 ILE QG 3.000 2.600 3.400 2.529 2.389 2.618 0.211 11 0 "[ . 1 . 2]" 1
431 1 63 ILE H 1 63 ILE MG 3.100 2.700 3.500 3.714 3.682 3.726 0.226 14 0 "[ . 1 . 2]" 1
432 1 63 ILE H 1 64 GLU H 2.800 2.500 3.100 2.640 2.508 2.838 . 0 0 "[ . 1 . 2]" 1
433 1 63 ILE HA 1 64 GLU H 3.400 3.000 3.800 3.568 3.564 3.572 . 0 0 "[ . 1 . 2]" 1
434 1 63 ILE HA 1 65 GLU H 4.900 4.400 5.400 4.360 4.153 4.704 0.247 13 0 "[ . 1 . 2]" 1
435 1 63 ILE HA 1 66 SER H 4.000 3.500 4.500 3.620 3.418 3.917 0.082 4 0 "[ . 1 . 2]" 1
436 1 63 ILE MD 1 64 GLU H 4.200 3.700 4.700 4.156 4.081 4.239 . 0 0 "[ . 1 . 2]" 1
437 1 63 ILE QG 1 64 GLU H 4.600 4.100 5.100 4.061 4.028 4.111 0.072 13 0 "[ . 1 . 2]" 1
438 1 63 ILE MG 1 64 GLU H 2.800 2.400 3.200 2.811 2.554 2.975 . 0 0 "[ . 1 . 2]" 1
439 1 63 ILE MG 1 65 GLU H 4.900 4.400 5.400 4.648 4.447 4.852 . 0 0 "[ . 1 . 2]" 1
440 1 63 ILE MG 1 66 SER H 4.900 4.400 5.400 4.698 4.465 5.038 . 0 0 "[ . 1 . 2]" 1
441 1 63 ILE MG 1 67 GLN QE 4.900 4.400 5.400 4.379 4.058 4.748 0.342 8 0 "[ . 1 . 2]" 1
442 1 64 GLU H 1 65 GLU H 2.800 2.500 3.100 2.813 2.718 3.005 . 0 0 "[ . 1 . 2]" 1
443 1 64 GLU HA 1 65 GLU H 3.200 2.800 3.600 3.539 3.492 3.593 . 0 0 "[ . 1 . 2]" 1
444 1 64 GLU HA 1 66 SER H 4.400 3.900 4.900 4.548 4.252 4.985 0.085 11 0 "[ . 1 . 2]" 1
445 1 64 GLU HA 1 67 GLN H 4.700 4.200 5.200 3.982 3.740 4.154 0.460 8 0 "[ . 1 . 2]" 1
446 1 64 GLU QB 1 65 GLU H 3.500 3.100 3.900 2.780 2.428 2.982 0.672 3 3 "[- + . * 1 . 2]" 1
447 1 64 GLU QG 1 65 GLU H 4.700 4.200 5.200 4.077 3.880 4.229 0.320 8 0 "[ . 1 . 2]" 1
448 1 65 GLU H 1 66 SER H 2.600 2.300 2.900 2.444 2.277 2.914 0.023 14 0 "[ . 1 . 2]" 1
449 1 65 GLU HA 1 66 SER H 3.100 2.700 3.500 3.503 3.429 3.570 0.070 8 0 "[ . 1 . 2]" 1
450 1 65 GLU HA 1 67 GLN H 4.900 4.400 5.400 4.702 4.245 4.879 0.155 14 0 "[ . 1 . 2]" 1
451 1 65 GLU QB 1 66 SER H 3.000 2.600 3.400 2.740 2.232 3.059 0.368 8 0 "[ . 1 . 2]" 1
452 1 66 SER H 1 67 GLN H 2.800 2.500 3.100 2.539 2.369 2.793 0.131 9 0 "[ . 1 . 2]" 1
453 1 66 SER H 1 68 ASN H 4.900 4.400 5.400 5.743 4.387 6.188 0.788 19 14 "[** *** * ******+-]" 1
454 1 66 SER QB 1 67 GLN H 2.900 2.500 3.300 2.607 2.539 2.958 . 0 0 "[ . 1 . 2]" 1
455 1 67 GLN H 1 68 ASN H 3.500 3.100 3.900 4.026 3.107 4.230 0.330 16 0 "[ . 1 . 2]" 1
456 1 67 GLN HA 1 68 ASN H 2.500 2.100 2.900 2.303 2.150 3.007 0.107 11 0 "[ . 1 . 2]" 1
457 1 67 GLN QB 1 68 ASN H 3.700 3.300 4.100 3.651 3.588 3.725 . 0 0 "[ . 1 . 2]" 1
458 1 67 GLN QE 1 67 GLN QG 2.900 2.500 3.300 2.426 2.190 2.520 0.310 11 0 "[ . 1 . 2]" 1
459 1 67 GLN QG 1 68 ASN H 4.100 3.600 4.600 4.638 4.478 4.944 0.344 3 0 "[ . 1 . 2]" 1
460 1 68 ASN H 1 69 GLN H 4.200 3.700 4.700 4.555 4.450 4.581 . 0 0 "[ . 1 . 2]" 1
461 1 68 ASN HA 1 69 GLN H 2.700 2.300 3.100 2.248 2.168 2.274 0.132 3 0 "[ . 1 . 2]" 1
462 1 68 ASN QB 1 68 ASN QD 2.800 2.400 3.200 2.307 2.210 2.656 0.190 17 0 "[ . 1 . 2]" 1
463 1 68 ASN QB 1 69 GLN H 3.600 3.200 4.000 3.556 3.476 3.814 . 0 0 "[ . 1 . 2]" 1
464 1 69 GLN H 1 70 GLN H 4.200 3.700 4.700 4.396 4.303 4.475 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 7:10:21 AM GMT (wattos1)