NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565898 |
2mca   |
19433 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mca
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 1518
_Distance_constraint_stats_list.Viol_count 3272
_Distance_constraint_stats_list.Viol_total 12080.389
_Distance_constraint_stats_list.Viol_max 1.640
_Distance_constraint_stats_list.Viol_rms 0.1122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0199
_Distance_constraint_stats_list.Viol_average_violations_only 0.1846
_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 ALA 0.251 0.091 16 0 "[ . 1 . 2]"
1 3 GLN 0.177 0.060 6 0 "[ . 1 . 2]"
1 4 ASP 2.006 0.107 6 0 "[ . 1 . 2]"
1 5 GLY 2.433 0.107 6 0 "[ . 1 . 2]"
1 6 LYS 2.941 0.504 16 1 "[ . 1 .+ 2]"
1 7 GLU 1.781 0.088 9 0 "[ . 1 . 2]"
1 8 THR 2.372 0.096 13 0 "[ . 1 . 2]"
1 9 THR 8.566 0.536 15 1 "[ . 1 + 2]"
1 10 THR 6.025 0.125 1 0 "[ . 1 . 2]"
1 11 ILE 2.792 0.105 19 0 "[ . 1 . 2]"
1 12 ARG 4.877 0.502 2 1 "[ + . 1 . 2]"
1 13 LEU 19.366 0.956 13 15 "[ ** ** * ** +**-****]"
1 14 ILE 20.641 0.850 17 16 "[* ** -*** *****+***]"
1 15 ASN 13.859 0.705 19 19 [*********-********+2]
1 16 GLN 40.279 1.155 5 20 [****+****-**********]
1 17 THR 5.299 0.176 8 0 "[ . 1 . 2]"
1 18 TYR 3.920 0.108 2 0 "[ . 1 . 2]"
1 19 PHE 7.101 0.829 15 2 "[ . -1 + 2]"
1 20 ASN 2.779 0.091 18 0 "[ . 1 . 2]"
1 21 VAL 7.657 0.354 15 0 "[ . 1 . 2]"
1 22 LYS 45.764 1.619 12 20 [******-****+********]
1 23 ASN 41.264 1.212 15 20 [**-***********+*****]
1 24 ILE 60.048 1.325 12 20 [*****-*****+********]
1 25 LYS 15.413 1.192 19 14 "[*** .-* *** ****+*]"
1 26 VAL 4.500 0.108 17 0 "[ . 1 . 2]"
1 27 THR 3.623 1.034 20 1 "[ . 1 . +]"
1 28 TRP 35.575 1.640 11 20 [**********+***-*****]
1 29 ASN 27.098 1.640 11 19 "[**********+**** -***]"
1 30 ASP 1.690 0.199 10 0 "[ . 1 . 2]"
1 31 GLY 1.063 0.086 14 0 "[ . 1 . 2]"
1 32 LYS 6.809 1.182 17 3 "[ . 1 . +*-2]"
1 33 GLU 1.562 1.034 20 1 "[ . 1 . +]"
1 34 GLN 11.789 0.688 7 5 "[ . + * *.* -]"
1 35 THR 6.622 0.547 14 3 "[ . * 1 +. -]"
1 36 VAL 5.382 0.953 7 2 "[ . + 1 - . 2]"
1 37 ASN 0.069 0.069 13 0 "[ . 1 . 2]"
1 38 THR 3.819 0.111 15 0 "[ . 1 . 2]"
1 39 LEU 2.204 0.206 3 0 "[ . 1 . 2]"
1 40 GLY 0.638 0.091 12 0 "[ . 1 . 2]"
1 41 SER 19.641 1.492 5 19 "[****+***-****** ****]"
1 42 HIS 1.307 0.112 9 0 "[ . 1 . 2]"
1 43 ASP 20.757 1.492 5 19 "[****+***-****** ****]"
1 44 SER 21.412 0.956 13 16 "[ -* ** * ***+*******]"
1 45 ILE 17.861 0.988 5 9 "[ * +* 1 -***** 2]"
1 46 ASP 4.580 0.414 12 0 "[ . 1 . 2]"
1 47 PHE 17.427 0.988 5 7 "[ * + * - * ** 2]"
1 48 SER 2.457 0.199 6 0 "[ . 1 . 2]"
1 49 SER 2.345 0.199 6 0 "[ . 1 . 2]"
1 50 ASP 6.301 1.062 16 3 "[ . * -+ 2]"
1 51 ALA 6.883 1.062 16 3 "[ . - *+ 2]"
1 52 GLY 0.794 0.096 11 0 "[ . 1 . 2]"
1 53 SER 0.651 0.083 19 0 "[ . 1 . 2]"
1 54 VAL 2.132 0.092 6 0 "[ . 1 . 2]"
1 55 TYR 39.216 1.571 8 19 [*-**.**+************]
1 56 LYS 43.342 1.571 8 19 [*-**.**+************]
1 57 MET 20.591 1.143 17 13 "[- **** ***** * +* 2]"
1 58 ASP 0.475 0.085 12 0 "[ . 1 . 2]"
1 59 VAL 3.754 0.109 10 0 "[ . 1 . 2]"
1 60 THR 8.000 0.308 4 0 "[ . 1 . 2]"
1 61 GLY 3.755 0.308 10 0 "[ . 1 . 2]"
1 62 THR 42.335 1.619 12 20 [**-********+********]
1 63 THR 8.646 0.123 19 0 "[ . 1 . 2]"
1 64 GLN 5.937 0.829 15 2 "[ . -1 + 2]"
1 65 SER 1.404 0.089 6 0 "[ . 1 . 2]"
1 66 GLY 21.446 1.511 20 19 "[-**** *************+]"
1 67 GLU 28.707 1.511 20 19 "[-**** *************+]"
1 68 LYS 5.976 0.409 17 0 "[ . 1 . 2]"
1 69 PHE 25.990 0.976 19 11 "[ * -* **** *.* +*]"
1 70 THR 8.345 0.135 2 0 "[ . 1 . 2]"
1 71 GLY 2.472 0.121 13 0 "[ . 1 . 2]"
1 72 HIS 12.273 0.544 18 3 "[ . 1 * -. + 2]"
1 73 PHE 20.225 0.728 14 13 "[ ** * ****+**- **]"
1 74 LYS 17.598 1.495 7 14 "[ ** * + *******- **]"
1 75 GLY 24.195 1.338 14 20 [********-****+******]
1 76 LEU 25.496 1.338 14 20 [********-****+******]
1 77 VAL 2.474 0.474 7 0 "[ . 1 . 2]"
1 78 GLY 3.183 0.870 7 1 "[ . + 1 . 2]"
1 79 LYS 1.807 0.870 7 2 "[ . + 1 - 2]"
1 80 ASP 2.726 0.536 15 1 "[ . 1 + 2]"
1 81 THR 3.923 0.123 3 0 "[ . 1 . 2]"
1 82 ARG 17.096 1.536 8 10 "[ * ****+ * -. * *]"
1 83 VAL 10.127 0.665 20 9 "[ * ***** 1 -. * +]"
1 84 PHE 17.285 1.536 8 16 "[* ** -+** *********]"
1 85 ILE 22.465 1.155 5 20 [****+*********-*****]
1 86 GLU 10.790 0.554 10 2 "[ -. + . 2]"
1 87 LEU 12.079 0.554 10 2 "[ -. + . 2]"
1 88 ASP 8.427 1.248 5 5 "[ + *1 - . * *2]"
1 89 GLU 0.640 0.089 13 0 "[ . 1 . 2]"
1 90 ASN 2.173 0.159 9 0 "[ . 1 . 2]"
1 91 ALA 0.969 0.159 9 0 "[ . 1 . 2]"
1 92 ASP 8.039 0.474 15 0 "[ . 1 . 2]"
1 93 VAL 6.811 0.998 19 2 "[ . 1 - . +2]"
1 94 GLN 20.317 1.248 5 5 "[ + *1 - . * *2]"
1 95 VAL 4.332 0.129 10 0 "[ . 1 . 2]"
1 96 PHE 4.674 0.095 7 0 "[ . 1 . 2]"
1 97 ILE 19.050 1.143 17 13 "[- **** ***** * +* 2]"
1 98 PRO 23.481 1.160 1 20 [+-******************]
1 99 GLN 21.001 1.160 1 20 [+-******************]
1 100 GLY 1.847 0.084 10 0 "[ . 1 . 2]"
1 101 GLU 0.797 0.081 8 0 "[ . 1 . 2]"
1 102 ILE 5.851 0.263 10 0 "[ . 1 . 2]"
1 103 ASP 1.870 0.239 13 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 ALA MB 1 4 ASP H . . 5.500 3.149 2.182 5.279 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 4 ASP HA . . 5.130 4.600 3.661 5.221 0.091 16 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 5 GLY H . . 5.500 3.529 1.924 5.576 0.076 14 0 "[ . 1 . 2]" 1
4 1 3 GLN H 1 4 ASP H . . 4.480 2.753 1.822 4.522 0.042 14 0 "[ . 1 . 2]" 1
5 1 3 GLN HA 1 5 GLY H . . 5.500 4.806 3.393 5.560 0.060 6 0 "[ . 1 . 2]" 1
6 1 4 ASP H 1 5 GLY H . . 3.530 2.674 1.885 3.596 0.066 20 0 "[ . 1 . 2]" 1
7 1 4 ASP H 1 5 GLY QA . . 3.550 3.626 3.480 3.657 0.107 6 0 "[ . 1 . 2]" 1
8 1 5 GLY H 1 6 LYS H . . 4.140 3.416 1.721 4.221 0.081 8 0 "[ . 1 . 2]" 1
9 1 5 GLY QA 1 6 LYS H . . 3.240 2.496 2.135 3.054 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLY QA 1 7 GLU H . . 5.070 4.235 3.410 5.150 0.080 17 0 "[ . 1 . 2]" 1
11 1 6 LYS H 1 6 LYS HB3 . . 3.330 3.237 2.476 3.834 0.504 16 1 "[ . 1 .+ 2]" 1
12 1 6 LYS H 1 7 GLU H . . 3.910 3.291 2.377 3.848 . 0 0 "[ . 1 . 2]" 1
13 1 6 LYS HA 1 7 GLU H . . 2.790 2.494 2.093 2.875 0.085 5 0 "[ . 1 . 2]" 1
14 1 7 GLU H 1 8 THR H . . 3.450 2.733 2.149 3.523 0.073 20 0 "[ . 1 . 2]" 1
15 1 7 GLU H 1 8 THR HA . . 5.340 4.665 4.104 5.416 0.076 7 0 "[ . 1 . 2]" 1
16 1 7 GLU H 1 8 THR MG . . 5.500 3.777 2.707 5.114 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLU HA 1 8 THR H . . 2.760 2.746 2.155 2.848 0.088 9 0 "[ . 1 . 2]" 1
18 1 7 GLU HB3 1 8 THR H . . 4.510 4.329 4.037 4.532 0.022 14 0 "[ . 1 . 2]" 1
19 1 8 THR H 1 8 THR HB . . 3.660 3.506 2.669 3.736 0.076 14 0 "[ . 1 . 2]" 1
20 1 8 THR H 1 8 THR MG . . 3.720 3.169 2.167 3.816 0.096 13 0 "[ . 1 . 2]" 1
21 1 8 THR H 1 9 THR H . . 4.680 4.474 4.242 4.661 . 0 0 "[ . 1 . 2]" 1
22 1 8 THR H 1 52 GLY HA2 . . 5.500 4.594 3.405 5.516 0.016 18 0 "[ . 1 . 2]" 1
23 1 8 THR HA 1 8 THR MG . . 3.200 2.281 2.144 3.272 0.072 20 0 "[ . 1 . 2]" 1
24 1 8 THR HA 1 9 THR H . . 2.920 2.418 2.163 2.757 . 0 0 "[ . 1 . 2]" 1
25 1 8 THR HB 1 9 THR H . . 3.420 2.745 2.191 3.509 0.089 20 0 "[ . 1 . 2]" 1
26 1 8 THR HB 1 51 ALA H . . 4.960 4.375 3.261 5.013 0.053 4 0 "[ . 1 . 2]" 1
27 1 8 THR MG 1 9 THR H . . 3.630 3.213 1.884 3.689 0.059 11 0 "[ . 1 . 2]" 1
28 1 8 THR MG 1 49 SER H . . 5.190 4.394 2.845 5.277 0.087 12 0 "[ . 1 . 2]" 1
29 1 8 THR MG 1 51 ALA H . . 4.420 3.271 2.291 4.297 . 0 0 "[ . 1 . 2]" 1
30 1 8 THR MG 1 52 GLY H . . 5.500 4.199 2.604 5.594 0.094 18 0 "[ . 1 . 2]" 1
31 1 9 THR H 1 9 THR MG . . 3.660 3.012 2.571 3.449 . 0 0 "[ . 1 . 2]" 1
32 1 9 THR H 1 10 THR H . . 4.710 4.534 4.375 4.649 . 0 0 "[ . 1 . 2]" 1
33 1 9 THR H 1 49 SER H . . 4.830 4.121 2.831 4.883 0.053 4 0 "[ . 1 . 2]" 1
34 1 9 THR H 1 49 SER HB3 . . 5.500 4.868 2.921 5.568 0.068 19 0 "[ . 1 . 2]" 1
35 1 9 THR H 1 51 ALA MB . . 5.500 4.424 3.769 4.997 . 0 0 "[ . 1 . 2]" 1
36 1 9 THR H 1 54 VAL QG . . 5.500 4.638 4.201 5.488 . 0 0 "[ . 1 . 2]" 1
37 1 9 THR HA 1 9 THR MG . . 3.310 2.170 2.071 2.277 . 0 0 "[ . 1 . 2]" 1
38 1 9 THR HA 1 10 THR H . . 3.080 2.445 2.169 2.701 . 0 0 "[ . 1 . 2]" 1
39 1 9 THR HA 1 10 THR MG . . 5.400 5.433 5.301 5.503 0.103 12 0 "[ . 1 . 2]" 1
40 1 9 THR HB 1 10 THR H . . 3.390 2.473 1.942 3.427 0.037 2 0 "[ . 1 . 2]" 1
41 1 9 THR HB 1 10 THR HB . . 5.500 5.153 4.666 5.451 . 0 0 "[ . 1 . 2]" 1
42 1 9 THR HB 1 80 ASP HA . . 4.810 3.604 2.637 4.491 . 0 0 "[ . 1 . 2]" 1
43 1 9 THR HB 1 81 THR H . . 5.020 4.816 4.021 5.098 0.078 7 0 "[ . 1 . 2]" 1
44 1 9 THR MG 1 10 THR H . . 3.630 3.167 2.870 3.384 . 0 0 "[ . 1 . 2]" 1
45 1 9 THR MG 1 10 THR HA . . 5.090 5.190 5.121 5.215 0.125 1 0 "[ . 1 . 2]" 1
46 1 9 THR MG 1 10 THR HB . . 5.500 5.466 4.872 5.612 0.112 4 0 "[ . 1 . 2]" 1
47 1 9 THR MG 1 51 ALA MB . . 4.470 4.190 3.324 4.594 0.124 8 0 "[ . 1 . 2]" 1
48 1 9 THR MG 1 52 GLY HA2 . . 4.720 4.131 3.180 4.692 . 0 0 "[ . 1 . 2]" 1
49 1 9 THR MG 1 52 GLY HA3 . . 5.110 4.977 4.399 5.206 0.096 11 0 "[ . 1 . 2]" 1
50 1 9 THR MG 1 53 SER H . . 5.110 3.942 3.269 4.377 . 0 0 "[ . 1 . 2]" 1
51 1 9 THR MG 1 53 SER HA . . 3.990 2.406 1.964 3.230 . 0 0 "[ . 1 . 2]" 1
52 1 9 THR MG 1 53 SER HB3 . . 5.500 4.173 3.211 5.136 . 0 0 "[ . 1 . 2]" 1
53 1 9 THR MG 1 54 VAL H . . 5.500 3.069 2.423 3.947 . 0 0 "[ . 1 . 2]" 1
54 1 9 THR MG 1 54 VAL QG . . 4.270 2.159 1.971 2.530 . 0 0 "[ . 1 . 2]" 1
55 1 9 THR MG 1 79 LYS H . . 5.500 4.681 4.270 5.115 . 0 0 "[ . 1 . 2]" 1
56 1 9 THR MG 1 79 LYS HB3 . . 5.500 3.954 3.387 4.407 . 0 0 "[ . 1 . 2]" 1
57 1 9 THR MG 1 80 ASP H . . 4.690 3.770 3.271 4.244 . 0 0 "[ . 1 . 2]" 1
58 1 9 THR MG 1 80 ASP HA . . 5.500 3.370 2.712 4.252 . 0 0 "[ . 1 . 2]" 1
59 1 9 THR MG 1 80 ASP HB3 . . 5.500 5.023 4.335 6.036 0.536 15 1 "[ . 1 + 2]" 1
60 1 9 THR MG 1 81 THR H . . 5.500 4.982 4.451 5.588 0.088 6 0 "[ . 1 . 2]" 1
61 1 9 THR MG 1 81 THR MG . . 5.500 5.272 4.336 5.623 0.123 3 0 "[ . 1 . 2]" 1
62 1 10 THR H 1 10 THR HB . . 3.420 2.828 2.417 3.147 . 0 0 "[ . 1 . 2]" 1
63 1 10 THR H 1 10 THR MG . . 4.530 3.942 3.737 4.083 . 0 0 "[ . 1 . 2]" 1
64 1 10 THR H 1 80 ASP HA . . 4.510 2.560 2.248 2.990 . 0 0 "[ . 1 . 2]" 1
65 1 10 THR H 1 80 ASP HB3 . . 5.500 4.149 3.031 5.338 . 0 0 "[ . 1 . 2]" 1
66 1 10 THR H 1 81 THR H . . 4.540 4.019 3.462 4.598 0.058 8 0 "[ . 1 . 2]" 1
67 1 10 THR HA 1 10 THR MG . . 3.470 2.364 2.204 2.573 . 0 0 "[ . 1 . 2]" 1
68 1 10 THR HA 1 11 ILE H . . 3.040 2.370 2.114 2.607 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR HA 1 11 ILE HB . . 4.700 4.523 4.352 4.735 0.035 2 0 "[ . 1 . 2]" 1
70 1 10 THR HA 1 47 PHE H . . 5.500 4.891 4.420 5.581 0.081 2 0 "[ . 1 . 2]" 1
71 1 10 THR HA 1 49 SER H . . 3.890 3.211 2.515 3.963 0.073 4 0 "[ . 1 . 2]" 1
72 1 10 THR HB 1 11 ILE H . . 4.550 3.760 3.428 4.378 . 0 0 "[ . 1 . 2]" 1
73 1 10 THR HB 1 80 ASP HB3 . . 5.500 3.936 2.336 5.257 . 0 0 "[ . 1 . 2]" 1
74 1 10 THR MG 1 11 ILE H . . 3.200 2.329 2.048 3.224 0.024 7 0 "[ . 1 . 2]" 1
75 1 10 THR MG 1 12 ARG H . . 5.390 4.870 4.296 5.416 0.026 14 0 "[ . 1 . 2]" 1
76 1 10 THR MG 1 46 ASP HA . . 4.400 4.027 3.509 4.475 0.075 11 0 "[ . 1 . 2]" 1
77 1 10 THR MG 1 46 ASP HB3 . . 3.950 3.790 3.042 4.051 0.101 11 0 "[ . 1 . 2]" 1
78 1 10 THR MG 1 47 PHE H . . 4.510 3.202 2.665 3.855 . 0 0 "[ . 1 . 2]" 1
79 1 10 THR MG 1 47 PHE HA . . 4.560 4.091 3.383 4.652 0.092 11 0 "[ . 1 . 2]" 1
80 1 10 THR MG 1 48 SER H . . 5.500 4.167 3.498 4.748 . 0 0 "[ . 1 . 2]" 1
81 1 10 THR MG 1 48 SER HA . . 3.400 2.953 2.339 3.451 0.051 4 0 "[ . 1 . 2]" 1
82 1 10 THR MG 1 48 SER HB3 . . 5.500 5.105 3.857 5.592 0.092 4 0 "[ . 1 . 2]" 1
83 1 10 THR MG 1 49 SER H . . 5.500 4.545 4.065 5.431 . 0 0 "[ . 1 . 2]" 1
84 1 10 THR MG 1 80 ASP HB3 . . 5.500 5.177 3.965 5.601 0.101 15 0 "[ . 1 . 2]" 1
85 1 11 ILE H 1 11 ILE HB . . 3.940 2.599 2.358 2.842 . 0 0 "[ . 1 . 2]" 1
86 1 11 ILE H 1 11 ILE MD . . 5.500 3.819 2.855 4.181 . 0 0 "[ . 1 . 2]" 1
87 1 11 ILE H 1 11 ILE HG13 . . 5.500 3.096 2.649 3.708 . 0 0 "[ . 1 . 2]" 1
88 1 11 ILE H 1 11 ILE MG . . 4.400 3.838 3.749 3.933 . 0 0 "[ . 1 . 2]" 1
89 1 11 ILE H 1 12 ARG H . . 5.500 4.377 4.159 4.518 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE H 1 46 ASP HA . . 5.500 4.573 4.327 4.889 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE H 1 48 SER HA . . 4.510 3.743 2.654 4.208 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE HA 1 12 ARG H . . 3.250 2.338 2.173 2.559 . 0 0 "[ . 1 . 2]" 1
93 1 11 ILE HA 1 12 ARG HA . . 4.920 4.504 4.448 4.601 . 0 0 "[ . 1 . 2]" 1
94 1 11 ILE HA 1 12 ARG HB3 . . 5.020 4.760 4.305 5.042 0.022 18 0 "[ . 1 . 2]" 1
95 1 11 ILE HA 1 81 THR HB . . 3.790 3.033 2.251 3.844 0.054 15 0 "[ . 1 . 2]" 1
96 1 11 ILE HA 1 82 ARG HA . . 5.250 4.143 3.646 4.540 . 0 0 "[ . 1 . 2]" 1
97 1 11 ILE HB 1 46 ASP HA . . 5.440 5.028 4.561 5.451 0.011 4 0 "[ . 1 . 2]" 1
98 1 11 ILE HB 1 47 PHE H . . 5.100 3.670 3.279 3.999 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE HB 1 47 PHE QD . . 4.470 3.274 2.869 3.563 . 0 0 "[ . 1 . 2]" 1
100 1 11 ILE MD 1 11 ILE MG . . 3.950 2.188 2.055 3.060 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE MD 1 12 ARG H . . 5.500 5.013 4.758 5.409 . 0 0 "[ . 1 . 2]" 1
102 1 11 ILE MD 1 26 VAL QG . . 5.260 2.665 2.210 3.588 . 0 0 "[ . 1 . 2]" 1
103 1 11 ILE MD 1 28 TRP HZ2 . . 4.710 4.244 3.675 4.715 0.005 17 0 "[ . 1 . 2]" 1
104 1 11 ILE MD 1 47 PHE QD . . 3.900 3.213 2.617 3.987 0.087 11 0 "[ . 1 . 2]" 1
105 1 11 ILE MD 1 47 PHE QE . . 3.440 2.507 2.146 3.224 . 0 0 "[ . 1 . 2]" 1
106 1 11 ILE MD 1 47 PHE HZ . . 5.080 3.999 3.452 4.878 . 0 0 "[ . 1 . 2]" 1
107 1 11 ILE MD 1 48 SER HA . . 5.340 5.118 3.902 5.445 0.105 4 0 "[ . 1 . 2]" 1
108 1 11 ILE MD 1 49 SER HA . . 4.290 3.347 2.755 3.944 . 0 0 "[ . 1 . 2]" 1
109 1 11 ILE MD 1 49 SER HB3 . . 5.160 2.398 1.965 3.757 . 0 0 "[ . 1 . 2]" 1
110 1 11 ILE MD 1 54 VAL QG . . 3.980 3.255 2.611 3.828 . 0 0 "[ . 1 . 2]" 1
111 1 11 ILE MD 1 57 MET ME . . 3.440 2.477 2.008 3.353 . 0 0 "[ . 1 . 2]" 1
112 1 11 ILE MD 1 81 THR H . . 5.500 5.411 4.838 5.605 0.105 19 0 "[ . 1 . 2]" 1
113 1 11 ILE MD 1 81 THR MG . . 5.270 4.485 3.241 5.068 . 0 0 "[ . 1 . 2]" 1
114 1 11 ILE MD 1 83 VAL QG . . 5.500 4.834 4.471 5.478 . 0 0 "[ . 1 . 2]" 1
115 1 11 ILE HG13 1 12 ARG H . . 4.930 4.894 4.581 5.031 0.101 15 0 "[ . 1 . 2]" 1
116 1 11 ILE HG13 1 49 SER HB3 . . 5.430 3.277 2.340 4.027 . 0 0 "[ . 1 . 2]" 1
117 1 11 ILE HG13 1 57 MET ME . . 5.320 3.733 2.846 4.585 . 0 0 "[ . 1 . 2]" 1
118 1 11 ILE MG 1 12 ARG H . . 3.970 2.304 1.996 2.901 . 0 0 "[ . 1 . 2]" 1
119 1 11 ILE MG 1 12 ARG HA . . 5.220 3.483 3.141 3.783 . 0 0 "[ . 1 . 2]" 1
120 1 11 ILE MG 1 13 LEU H . . 5.300 3.990 3.256 4.520 . 0 0 "[ . 1 . 2]" 1
121 1 11 ILE MG 1 13 LEU MD1 . . 4.250 4.050 3.776 4.345 0.095 2 0 "[ . 1 . 2]" 1
122 1 11 ILE MG 1 13 LEU MD2 . . 4.260 2.041 1.941 2.363 . 0 0 "[ . 1 . 2]" 1
123 1 11 ILE MG 1 26 VAL QG . . 5.040 2.330 2.041 2.679 . 0 0 "[ . 1 . 2]" 1
124 1 11 ILE MG 1 46 ASP HA . . 5.500 4.598 4.113 4.945 . 0 0 "[ . 1 . 2]" 1
125 1 11 ILE MG 1 47 PHE H . . 5.500 4.248 3.930 4.512 . 0 0 "[ . 1 . 2]" 1
126 1 11 ILE MG 1 47 PHE QD . . 4.200 4.008 3.785 4.296 0.096 20 0 "[ . 1 . 2]" 1
127 1 11 ILE MG 1 47 PHE QE . . 3.610 2.753 2.323 3.070 . 0 0 "[ . 1 . 2]" 1
128 1 11 ILE MG 1 47 PHE HZ . . 3.790 2.604 2.340 3.163 . 0 0 "[ . 1 . 2]" 1
129 1 11 ILE MG 1 57 MET ME . . 3.080 2.218 1.886 3.028 . 0 0 "[ . 1 . 2]" 1
130 1 11 ILE MG 1 81 THR H . . 4.960 4.434 4.114 4.764 . 0 0 "[ . 1 . 2]" 1
131 1 11 ILE MG 1 81 THR HA . . 5.330 5.080 4.659 5.404 0.074 13 0 "[ . 1 . 2]" 1
132 1 11 ILE MG 1 81 THR HB . . 4.070 2.868 2.212 3.334 . 0 0 "[ . 1 . 2]" 1
133 1 11 ILE MG 1 81 THR MG . . 4.670 3.733 2.735 4.494 . 0 0 "[ . 1 . 2]" 1
134 1 11 ILE MG 1 82 ARG H . . 5.500 4.838 4.049 5.344 . 0 0 "[ . 1 . 2]" 1
135 1 11 ILE MG 1 82 ARG HA . . 5.360 3.639 2.504 4.139 . 0 0 "[ . 1 . 2]" 1
136 1 11 ILE MG 1 83 VAL HB . . 5.100 4.548 4.207 5.026 . 0 0 "[ . 1 . 2]" 1
137 1 11 ILE MG 1 83 VAL QG . . 3.330 2.907 2.581 3.250 . 0 0 "[ . 1 . 2]" 1
138 1 12 ARG H 1 13 LEU H . . 5.080 4.138 3.784 4.346 . 0 0 "[ . 1 . 2]" 1
139 1 12 ARG H 1 46 ASP HA . . 5.500 4.668 4.502 4.951 . 0 0 "[ . 1 . 2]" 1
140 1 12 ARG H 1 47 PHE HZ . . 5.430 5.464 5.245 5.506 0.076 18 0 "[ . 1 . 2]" 1
141 1 12 ARG H 1 81 THR HB . . 4.720 4.093 3.338 4.677 . 0 0 "[ . 1 . 2]" 1
142 1 12 ARG H 1 82 ARG HA . . 4.150 2.501 2.144 2.804 . 0 0 "[ . 1 . 2]" 1
143 1 12 ARG H 1 83 VAL H . . 4.730 4.256 3.855 4.639 . 0 0 "[ . 1 . 2]" 1
144 1 12 ARG H 1 83 VAL QG . . 4.790 3.877 3.071 4.490 . 0 0 "[ . 1 . 2]" 1
145 1 12 ARG HA 1 13 LEU H . . 3.030 2.127 2.074 2.219 . 0 0 "[ . 1 . 2]" 1
146 1 12 ARG HA 1 45 ILE H . . 4.570 4.366 4.230 4.554 . 0 0 "[ . 1 . 2]" 1
147 1 12 ARG HA 1 45 ILE MG . . 4.800 4.203 3.962 4.390 . 0 0 "[ . 1 . 2]" 1
148 1 12 ARG HA 1 46 ASP H . . 4.860 4.634 4.496 4.836 . 0 0 "[ . 1 . 2]" 1
149 1 12 ARG HA 1 46 ASP HA . . 3.360 2.112 1.961 2.337 . 0 0 "[ . 1 . 2]" 1
150 1 12 ARG HA 1 46 ASP HB3 . . 4.610 3.695 2.609 5.024 0.414 12 0 "[ . 1 . 2]" 1
151 1 12 ARG HA 1 47 PHE H . . 4.440 3.434 2.643 3.667 . 0 0 "[ . 1 . 2]" 1
152 1 12 ARG HB3 1 13 LEU H . . 5.020 4.116 3.848 4.335 . 0 0 "[ . 1 . 2]" 1
153 1 12 ARG HD3 1 13 LEU H . . 5.500 4.228 2.725 4.918 . 0 0 "[ . 1 . 2]" 1
154 1 12 ARG HD3 1 14 ILE H . . 5.500 5.358 4.402 5.717 0.217 2 0 "[ . 1 . 2]" 1
155 1 12 ARG HD3 1 14 ILE MD . . 4.510 3.085 2.170 3.837 . 0 0 "[ . 1 . 2]" 1
156 1 12 ARG HD3 1 14 ILE HG13 . . 5.500 2.575 2.043 3.874 . 0 0 "[ . 1 . 2]" 1
157 1 12 ARG HD3 1 44 SER HB3 . . 4.670 3.764 3.163 5.172 0.502 2 1 "[ + . 1 . 2]" 1
158 1 12 ARG HD3 1 45 ILE H . . 4.980 3.792 2.974 4.602 . 0 0 "[ . 1 . 2]" 1
159 1 12 ARG HG3 1 13 LEU H . . 4.650 4.073 2.878 4.713 0.063 14 0 "[ . 1 . 2]" 1
160 1 12 ARG HG3 1 14 ILE MD . . 4.690 4.215 2.046 4.521 . 0 0 "[ . 1 . 2]" 1
161 1 13 LEU H 1 13 LEU HB3 . . 3.680 3.561 3.452 3.641 . 0 0 "[ . 1 . 2]" 1
162 1 13 LEU H 1 13 LEU MD2 . . 3.790 2.840 2.485 3.141 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU H 1 13 LEU HG . . 4.280 4.155 3.734 4.339 0.059 2 0 "[ . 1 . 2]" 1
164 1 13 LEU H 1 44 SER HB3 . . 5.140 5.768 5.482 6.096 0.956 13 15 "[ ** ** * ** +**-****]" 1
165 1 13 LEU H 1 45 ILE HA . . 5.500 4.915 4.809 5.099 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU H 1 45 ILE MG . . 4.590 2.977 2.663 3.237 . 0 0 "[ . 1 . 2]" 1
167 1 13 LEU H 1 46 ASP H . . 5.500 4.931 4.844 5.040 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU H 1 46 ASP HA . . 3.740 3.428 3.181 3.638 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU H 1 47 PHE H . . 4.870 4.903 4.076 4.958 0.088 9 0 "[ . 1 . 2]" 1
170 1 13 LEU H 1 47 PHE QD . . 5.500 4.529 4.159 4.942 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU H 1 47 PHE QE . . 5.500 3.503 2.981 4.175 . 0 0 "[ . 1 . 2]" 1
172 1 13 LEU HA 1 13 LEU MD1 . . 3.830 2.411 2.116 2.837 . 0 0 "[ . 1 . 2]" 1
173 1 13 LEU HA 1 13 LEU MD2 . . 3.560 2.272 2.172 2.365 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU HA 1 14 ILE H . . 3.010 2.242 2.176 2.344 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU HA 1 14 ILE MD . . 4.210 2.874 2.493 3.282 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU HA 1 45 ILE MG . . 5.180 4.596 4.223 5.016 . 0 0 "[ . 1 . 2]" 1
177 1 13 LEU HA 1 47 PHE QE . . 5.090 5.034 4.630 5.185 0.095 4 0 "[ . 1 . 2]" 1
178 1 13 LEU HA 1 83 VAL H . . 4.090 3.089 2.735 3.479 . 0 0 "[ . 1 . 2]" 1
179 1 13 LEU HA 1 83 VAL HB . . 3.530 2.292 2.104 2.586 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU HA 1 83 VAL QG . . 4.000 3.183 2.776 3.440 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU HB3 1 13 LEU MD1 . . 3.640 2.255 2.174 2.319 . 0 0 "[ . 1 . 2]" 1
182 1 13 LEU HB3 1 45 ILE MG . . 3.620 3.211 2.762 3.686 0.066 9 0 "[ . 1 . 2]" 1
183 1 13 LEU HB3 1 47 PHE QE . . 5.010 4.320 4.003 4.683 . 0 0 "[ . 1 . 2]" 1
184 1 13 LEU HB3 1 83 VAL HB . . 5.320 4.162 3.590 4.369 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU MD1 1 14 ILE H . . 4.130 3.385 2.952 3.843 . 0 0 "[ . 1 . 2]" 1
186 1 13 LEU MD1 1 26 VAL HA . . 4.870 4.884 4.276 4.978 0.108 17 0 "[ . 1 . 2]" 1
187 1 13 LEU MD1 1 82 ARG HA . . 5.430 5.515 5.268 5.544 0.114 16 0 "[ . 1 . 2]" 1
188 1 13 LEU MD1 1 83 VAL H . . 4.820 4.281 4.060 4.575 . 0 0 "[ . 1 . 2]" 1
189 1 13 LEU MD1 1 83 VAL HB . . 3.560 2.058 1.987 2.209 . 0 0 "[ . 1 . 2]" 1
190 1 13 LEU MD1 1 83 VAL QG . . 3.280 2.046 1.920 2.239 . 0 0 "[ . 1 . 2]" 1
191 1 13 LEU MD2 1 14 ILE MD . . 4.340 4.196 3.917 4.461 0.121 1 0 "[ . 1 . 2]" 1
192 1 13 LEU MD2 1 47 PHE QE . . 3.230 2.505 2.274 2.768 . 0 0 "[ . 1 . 2]" 1
193 1 13 LEU MD2 1 47 PHE HZ . . 3.460 2.109 1.987 2.257 . 0 0 "[ . 1 . 2]" 1
194 1 13 LEU MD2 1 83 VAL H . . 5.060 3.699 3.000 4.178 . 0 0 "[ . 1 . 2]" 1
195 1 13 LEU MD2 1 83 VAL HA . . 5.500 4.773 4.452 5.121 . 0 0 "[ . 1 . 2]" 1
196 1 13 LEU MD2 1 83 VAL HB . . 3.520 2.520 2.250 3.166 . 0 0 "[ . 1 . 2]" 1
197 1 13 LEU MD2 1 83 VAL QG . . 3.730 2.153 2.025 2.345 . 0 0 "[ . 1 . 2]" 1
198 1 13 LEU HG 1 45 ILE MG . . 4.230 3.666 3.337 4.297 0.067 5 0 "[ . 1 . 2]" 1
199 1 13 LEU HG 1 47 PHE QE . . 4.640 2.904 2.473 3.542 . 0 0 "[ . 1 . 2]" 1
200 1 14 ILE H 1 14 ILE HB . . 3.530 2.706 2.595 2.778 . 0 0 "[ . 1 . 2]" 1
201 1 14 ILE H 1 14 ILE MD . . 3.960 2.352 2.139 2.484 . 0 0 "[ . 1 . 2]" 1
202 1 14 ILE H 1 14 ILE HG13 . . 4.190 3.516 3.327 3.710 . 0 0 "[ . 1 . 2]" 1
203 1 14 ILE H 1 14 ILE MG . . 4.170 3.868 3.834 3.917 . 0 0 "[ . 1 . 2]" 1
204 1 14 ILE H 1 15 ASN H . . 4.980 4.316 4.078 4.493 . 0 0 "[ . 1 . 2]" 1
205 1 14 ILE H 1 44 SER HA . . 5.500 4.824 4.659 4.971 . 0 0 "[ . 1 . 2]" 1
206 1 14 ILE H 1 83 VAL H . . 4.280 3.499 3.220 3.668 . 0 0 "[ . 1 . 2]" 1
207 1 14 ILE H 1 83 VAL HB . . 4.340 3.206 2.820 3.443 . 0 0 "[ . 1 . 2]" 1
208 1 14 ILE H 1 83 VAL QG . . 4.730 3.689 3.320 3.919 . 0 0 "[ . 1 . 2]" 1
209 1 14 ILE HA 1 14 ILE MD . . 4.580 3.566 3.424 3.638 . 0 0 "[ . 1 . 2]" 1
210 1 14 ILE HA 1 14 ILE HG13 . . 4.240 2.679 2.605 2.753 . 0 0 "[ . 1 . 2]" 1
211 1 14 ILE HA 1 14 ILE MG . . 3.390 2.324 2.266 2.405 . 0 0 "[ . 1 . 2]" 1
212 1 14 ILE HA 1 15 ASN H . . 3.150 2.210 2.131 2.435 . 0 0 "[ . 1 . 2]" 1
213 1 14 ILE HA 1 15 ASN HB3 . . 5.040 4.716 4.601 4.843 . 0 0 "[ . 1 . 2]" 1
214 1 14 ILE HA 1 39 LEU QD . . 4.780 3.003 2.461 3.644 . 0 0 "[ . 1 . 2]" 1
215 1 14 ILE HA 1 44 SER H . . 5.500 4.838 4.688 4.965 . 0 0 "[ . 1 . 2]" 1
216 1 14 ILE HA 1 44 SER HA . . 3.440 2.458 2.202 2.705 . 0 0 "[ . 1 . 2]" 1
217 1 14 ILE HA 1 44 SER HB3 . . 4.040 2.506 2.159 2.997 . 0 0 "[ . 1 . 2]" 1
218 1 14 ILE HA 1 45 ILE H . . 4.340 3.959 3.743 4.385 0.045 5 0 "[ . 1 . 2]" 1
219 1 14 ILE HB 1 14 ILE MD . . 3.180 2.287 2.206 2.371 . 0 0 "[ . 1 . 2]" 1
220 1 14 ILE HB 1 15 ASN H . . 5.260 4.086 3.739 4.368 . 0 0 "[ . 1 . 2]" 1
221 1 14 ILE HB 1 15 ASN HA . . 4.910 4.923 4.689 4.987 0.077 16 0 "[ . 1 . 2]" 1
222 1 14 ILE HB 1 16 GLN H . . 5.500 4.120 3.739 4.989 . 0 0 "[ . 1 . 2]" 1
223 1 14 ILE HB 1 16 GLN HG3 . . 5.500 2.786 2.333 3.358 . 0 0 "[ . 1 . 2]" 1
224 1 14 ILE HB 1 84 PHE HA . . 3.670 2.924 2.574 3.100 . 0 0 "[ . 1 . 2]" 1
225 1 14 ILE HB 1 84 PHE QD . . 4.680 2.717 2.373 3.017 . 0 0 "[ . 1 . 2]" 1
226 1 14 ILE HB 1 84 PHE QE . . 5.280 4.105 3.808 4.483 . 0 0 "[ . 1 . 2]" 1
227 1 14 ILE HB 1 85 ILE H . . 5.160 3.708 3.532 4.201 . 0 0 "[ . 1 . 2]" 1
228 1 14 ILE MD 1 14 ILE MG . . 3.370 3.192 3.097 3.245 . 0 0 "[ . 1 . 2]" 1
229 1 14 ILE MD 1 15 ASN H . . 5.450 5.150 5.047 5.217 . 0 0 "[ . 1 . 2]" 1
230 1 14 ILE MD 1 16 GLN HE22 . . 5.500 5.455 4.568 6.350 0.850 17 3 "[ . - 1 . + *2]" 1
231 1 14 ILE MD 1 44 SER HB3 . . 4.560 4.313 3.997 4.645 0.085 2 0 "[ . 1 . 2]" 1
232 1 14 ILE MD 1 45 ILE H . . 5.500 4.720 4.308 4.975 . 0 0 "[ . 1 . 2]" 1
233 1 14 ILE MD 1 82 ARG H . . 5.500 5.334 5.061 5.560 0.060 19 0 "[ . 1 . 2]" 1
234 1 14 ILE MD 1 82 ARG HA . . 5.460 3.479 3.057 3.933 . 0 0 "[ . 1 . 2]" 1
235 1 14 ILE MD 1 82 ARG HB3 . . 4.480 2.453 2.069 3.054 . 0 0 "[ . 1 . 2]" 1
236 1 14 ILE MD 1 82 ARG HD3 . . 4.520 2.876 2.200 3.674 . 0 0 "[ . 1 . 2]" 1
237 1 14 ILE MD 1 82 ARG HG3 . . 4.790 4.277 3.705 4.817 0.027 20 0 "[ . 1 . 2]" 1
238 1 14 ILE MD 1 83 VAL H . . 4.370 2.384 2.084 2.656 . 0 0 "[ . 1 . 2]" 1
239 1 14 ILE MD 1 84 PHE H . . 5.500 4.459 4.080 4.697 . 0 0 "[ . 1 . 2]" 1
240 1 14 ILE MD 1 84 PHE HA . . 5.500 3.358 3.160 3.637 . 0 0 "[ . 1 . 2]" 1
241 1 14 ILE MD 1 84 PHE QD . . 3.720 2.090 2.013 2.207 . 0 0 "[ . 1 . 2]" 1
242 1 14 ILE MD 1 84 PHE QE . . 3.870 2.422 2.262 2.630 . 0 0 "[ . 1 . 2]" 1
243 1 14 ILE HG13 1 44 SER HB3 . . 4.120 2.671 2.274 3.098 . 0 0 "[ . 1 . 2]" 1
244 1 14 ILE HG13 1 84 PHE HA . . 5.140 5.715 5.420 5.870 0.730 17 16 "[* ** -*** *****+***]" 1
245 1 14 ILE MG 1 15 ASN H . . 3.630 2.608 2.138 3.208 . 0 0 "[ . 1 . 2]" 1
246 1 14 ILE MG 1 15 ASN HA . . 4.330 4.167 3.924 4.322 . 0 0 "[ . 1 . 2]" 1
247 1 14 ILE MG 1 16 GLN H . . 4.580 3.365 2.700 4.177 . 0 0 "[ . 1 . 2]" 1
248 1 14 ILE MG 1 16 GLN HA . . 4.400 3.727 3.386 3.939 . 0 0 "[ . 1 . 2]" 1
249 1 14 ILE MG 1 16 GLN HB3 . . 4.720 4.201 4.116 4.431 . 0 0 "[ . 1 . 2]" 1
250 1 14 ILE MG 1 16 GLN HE21 . . 3.980 3.446 2.093 4.291 0.311 6 0 "[ . 1 . 2]" 1
251 1 14 ILE MG 1 16 GLN HE22 . . 5.050 3.880 3.274 4.241 . 0 0 "[ . 1 . 2]" 1
252 1 14 ILE MG 1 16 GLN HG3 . . 3.700 2.281 1.955 2.820 . 0 0 "[ . 1 . 2]" 1
253 1 14 ILE MG 1 17 THR H . . 5.410 5.355 5.027 5.487 0.077 2 0 "[ . 1 . 2]" 1
254 1 14 ILE MG 1 42 HIS H . . 5.500 5.253 4.811 5.612 0.112 9 0 "[ . 1 . 2]" 1
255 1 14 ILE MG 1 42 HIS HA . . 5.170 3.744 3.247 4.292 . 0 0 "[ . 1 . 2]" 1
256 1 14 ILE MG 1 44 SER HA . . 4.580 3.740 3.341 4.031 . 0 0 "[ . 1 . 2]" 1
257 1 14 ILE MG 1 84 PHE HA . . 4.250 4.192 3.900 4.331 0.081 13 0 "[ . 1 . 2]" 1
258 1 14 ILE MG 1 85 ILE H . . 4.450 4.480 4.260 4.556 0.106 15 0 "[ . 1 . 2]" 1
259 1 15 ASN H 1 15 ASN HB3 . . 3.530 2.614 2.464 2.775 . 0 0 "[ . 1 . 2]" 1
260 1 15 ASN H 1 15 ASN HD21 . . 5.380 4.801 4.687 4.939 . 0 0 "[ . 1 . 2]" 1
261 1 15 ASN H 1 16 GLN H . . 5.170 3.846 3.307 4.461 . 0 0 "[ . 1 . 2]" 1
262 1 15 ASN H 1 17 THR H . . 5.500 5.365 5.098 5.566 0.066 20 0 "[ . 1 . 2]" 1
263 1 15 ASN H 1 39 LEU HB3 . . 5.370 4.776 4.470 5.440 0.070 18 0 "[ . 1 . 2]" 1
264 1 15 ASN H 1 39 LEU QD . . 4.210 2.813 2.184 3.428 . 0 0 "[ . 1 . 2]" 1
265 1 15 ASN H 1 39 LEU HG . . 5.280 3.439 2.936 4.787 . 0 0 "[ . 1 . 2]" 1
266 1 15 ASN H 1 42 HIS HA . . 4.700 4.018 3.573 4.708 0.008 16 0 "[ . 1 . 2]" 1
267 1 15 ASN H 1 43 ASP H . . 4.380 3.796 3.431 4.142 . 0 0 "[ . 1 . 2]" 1
268 1 15 ASN H 1 44 SER HA . . 4.140 3.442 3.136 3.860 . 0 0 "[ . 1 . 2]" 1
269 1 15 ASN H 1 85 ILE HB . . 5.500 4.977 4.575 5.323 . 0 0 "[ . 1 . 2]" 1
270 1 15 ASN H 1 85 ILE MD . . 5.350 4.407 3.659 5.406 0.056 13 0 "[ . 1 . 2]" 1
271 1 15 ASN HA 1 15 ASN HD22 . . 5.500 4.553 4.326 4.693 . 0 0 "[ . 1 . 2]" 1
272 1 15 ASN HA 1 16 GLN H . . 3.260 2.534 2.329 2.734 . 0 0 "[ . 1 . 2]" 1
273 1 15 ASN HA 1 16 GLN HB3 . . 5.480 6.049 5.838 6.185 0.705 19 19 [*********-********+2] 1
274 1 15 ASN HA 1 17 THR H . . 4.150 3.974 3.486 4.206 0.056 2 0 "[ . 1 . 2]" 1
275 1 15 ASN HA 1 39 LEU QD . . 4.600 3.663 3.249 4.164 . 0 0 "[ . 1 . 2]" 1
276 1 15 ASN HA 1 85 ILE H . . 4.070 3.793 3.403 4.139 0.069 17 0 "[ . 1 . 2]" 1
277 1 15 ASN HA 1 85 ILE HB . . 3.340 2.277 1.943 2.604 . 0 0 "[ . 1 . 2]" 1
278 1 15 ASN HA 1 85 ILE MD . . 3.960 2.438 2.087 3.144 . 0 0 "[ . 1 . 2]" 1
279 1 15 ASN HA 1 85 ILE HG13 . . 5.240 3.555 2.899 4.334 . 0 0 "[ . 1 . 2]" 1
280 1 15 ASN HA 1 85 ILE MG . . 3.940 3.480 2.995 3.816 . 0 0 "[ . 1 . 2]" 1
281 1 15 ASN HB3 1 16 GLN H . . 5.190 4.514 4.351 4.666 . 0 0 "[ . 1 . 2]" 1
282 1 15 ASN HB3 1 21 VAL QG . . 4.730 4.001 3.889 4.103 . 0 0 "[ . 1 . 2]" 1
283 1 15 ASN HB3 1 39 LEU QD . . 3.980 3.092 2.143 3.610 . 0 0 "[ . 1 . 2]" 1
284 1 15 ASN HB3 1 39 LEU HG . . 4.400 3.334 2.852 4.467 0.067 12 0 "[ . 1 . 2]" 1
285 1 15 ASN HB3 1 40 GLY H . . 5.450 5.049 4.770 5.328 . 0 0 "[ . 1 . 2]" 1
286 1 15 ASN HB3 1 42 HIS HA . . 5.500 3.636 3.224 4.241 . 0 0 "[ . 1 . 2]" 1
287 1 15 ASN HB3 1 43 ASP H . . 3.800 2.487 2.302 2.784 . 0 0 "[ . 1 . 2]" 1
288 1 15 ASN HD21 1 17 THR H . . 5.500 4.733 4.205 5.460 . 0 0 "[ . 1 . 2]" 1
289 1 15 ASN HD21 1 20 ASN HA . . 5.080 3.155 2.652 3.567 . 0 0 "[ . 1 . 2]" 1
290 1 15 ASN HD21 1 21 VAL H . . 4.420 3.843 3.300 4.365 . 0 0 "[ . 1 . 2]" 1
291 1 15 ASN HD21 1 21 VAL QG . . 4.050 3.171 2.769 3.435 . 0 0 "[ . 1 . 2]" 1
292 1 15 ASN HD21 1 39 LEU QD . . 5.120 3.889 2.841 4.466 . 0 0 "[ . 1 . 2]" 1
293 1 15 ASN HD21 1 39 LEU HG . . 5.340 4.325 3.934 5.045 . 0 0 "[ . 1 . 2]" 1
294 1 15 ASN HD21 1 40 GLY H . . 5.500 4.529 4.028 5.049 . 0 0 "[ . 1 . 2]" 1
295 1 15 ASN HD21 1 41 SER H . . 5.390 4.218 3.888 4.860 . 0 0 "[ . 1 . 2]" 1
296 1 15 ASN HD21 1 41 SER HA . . 3.970 2.830 2.349 3.424 . 0 0 "[ . 1 . 2]" 1
297 1 15 ASN HD21 1 42 HIS H . . 5.140 3.427 2.981 3.948 . 0 0 "[ . 1 . 2]" 1
298 1 15 ASN HD21 1 43 ASP H . . 5.160 3.423 3.121 3.966 . 0 0 "[ . 1 . 2]" 1
299 1 15 ASN HD22 1 20 ASN HA . . 5.010 2.714 2.334 3.202 . 0 0 "[ . 1 . 2]" 1
300 1 15 ASN HD22 1 21 VAL H . . 5.250 3.517 2.827 3.863 . 0 0 "[ . 1 . 2]" 1
301 1 15 ASN HD22 1 21 VAL QG . . 3.890 2.581 1.805 3.040 . 0 0 "[ . 1 . 2]" 1
302 1 15 ASN HD22 1 39 LEU QD . . 5.500 4.765 4.023 5.219 . 0 0 "[ . 1 . 2]" 1
303 1 15 ASN HD22 1 39 LEU HG . . 5.500 5.520 5.281 5.586 0.086 20 0 "[ . 1 . 2]" 1
304 1 15 ASN HD22 1 41 SER HA . . 4.480 3.433 2.756 4.366 . 0 0 "[ . 1 . 2]" 1
305 1 15 ASN HD22 1 85 ILE MG . . 5.500 4.948 4.516 5.338 . 0 0 "[ . 1 . 2]" 1
306 1 16 GLN H 1 16 GLN HB3 . . 3.730 3.657 3.575 3.819 0.089 20 0 "[ . 1 . 2]" 1
307 1 16 GLN H 1 16 GLN HG3 . . 4.070 2.390 2.144 2.897 . 0 0 "[ . 1 . 2]" 1
308 1 16 GLN H 1 17 THR H . . 3.470 3.339 2.506 3.546 0.076 18 0 "[ . 1 . 2]" 1
309 1 16 GLN H 1 17 THR MG . . 4.430 3.513 3.030 4.498 0.068 6 0 "[ . 1 . 2]" 1
310 1 16 GLN H 1 85 ILE H . . 4.510 3.031 2.618 3.670 . 0 0 "[ . 1 . 2]" 1
311 1 16 GLN H 1 85 ILE HB . . 4.050 2.750 2.096 3.439 . 0 0 "[ . 1 . 2]" 1
312 1 16 GLN H 1 85 ILE MD . . 4.970 4.286 3.861 4.883 . 0 0 "[ . 1 . 2]" 1
313 1 16 GLN H 1 85 ILE HG13 . . 5.500 4.386 3.819 5.250 . 0 0 "[ . 1 . 2]" 1
314 1 16 GLN H 1 85 ILE MG . . 4.970 4.081 3.185 4.512 . 0 0 "[ . 1 . 2]" 1
315 1 16 GLN HA 1 16 GLN HE22 . . 5.500 5.683 5.227 6.024 0.524 7 1 "[ . + 1 . 2]" 1
316 1 16 GLN HA 1 16 GLN HG3 . . 3.820 3.375 3.139 3.607 . 0 0 "[ . 1 . 2]" 1
317 1 16 GLN HA 1 42 HIS H . . 5.100 3.705 3.226 4.393 . 0 0 "[ . 1 . 2]" 1
318 1 16 GLN HA 1 42 HIS HD2 . . 3.480 3.234 2.676 3.551 0.071 2 0 "[ . 1 . 2]" 1
319 1 16 GLN HA 1 42 HIS HE1 . . 4.450 3.925 3.341 4.519 0.069 9 0 "[ . 1 . 2]" 1
320 1 16 GLN HB3 1 16 GLN HE22 . . 5.500 4.005 3.515 4.337 . 0 0 "[ . 1 . 2]" 1
321 1 16 GLN HB3 1 17 THR H . . 4.660 4.452 4.314 4.583 . 0 0 "[ . 1 . 2]" 1
322 1 16 GLN HB3 1 17 THR MG . . 5.500 4.896 4.670 5.424 . 0 0 "[ . 1 . 2]" 1
323 1 16 GLN HB3 1 85 ILE MG . . 5.500 6.441 6.066 6.655 1.155 5 20 [****+*********-*****] 1
324 1 16 GLN HG3 1 17 THR H . . 5.330 5.151 4.754 5.506 0.176 8 0 "[ . 1 . 2]" 1
325 1 17 THR H 1 17 THR HB . . 4.180 3.643 3.386 3.877 . 0 0 "[ . 1 . 2]" 1
326 1 17 THR H 1 17 THR MG . . 3.310 3.004 2.441 3.402 0.092 15 0 "[ . 1 . 2]" 1
327 1 17 THR H 1 18 TYR H . . 4.480 4.393 4.264 4.486 0.006 5 0 "[ . 1 . 2]" 1
328 1 17 THR H 1 19 PHE H . . 4.710 4.318 4.012 4.771 0.061 18 0 "[ . 1 . 2]" 1
329 1 17 THR H 1 85 ILE HB . . 5.190 4.551 3.091 5.242 0.052 18 0 "[ . 1 . 2]" 1
330 1 17 THR H 1 85 ILE MG . . 5.290 4.575 3.268 5.112 . 0 0 "[ . 1 . 2]" 1
331 1 17 THR HA 1 17 THR MG . . 3.380 2.241 2.101 2.426 . 0 0 "[ . 1 . 2]" 1
332 1 17 THR HA 1 18 TYR H . . 3.130 2.496 2.289 2.699 . 0 0 "[ . 1 . 2]" 1
333 1 17 THR HA 1 19 PHE H . . 4.440 4.337 4.140 4.510 0.070 6 0 "[ . 1 . 2]" 1
334 1 17 THR HA 1 85 ILE MG . . 5.500 4.908 4.555 5.084 . 0 0 "[ . 1 . 2]" 1
335 1 17 THR HA 1 87 LEU H . . 4.720 4.546 3.499 4.796 0.076 20 0 "[ . 1 . 2]" 1
336 1 17 THR HA 1 87 LEU QD . . 4.300 3.220 2.048 3.942 . 0 0 "[ . 1 . 2]" 1
337 1 17 THR HA 1 87 LEU HG . . 4.790 3.866 3.036 4.866 0.076 19 0 "[ . 1 . 2]" 1
338 1 17 THR HB 1 18 TYR H . . 3.380 2.131 1.845 2.541 . 0 0 "[ . 1 . 2]" 1
339 1 17 THR HB 1 18 TYR QD . . 4.210 3.260 2.567 4.318 0.108 2 0 "[ . 1 . 2]" 1
340 1 17 THR HB 1 19 PHE H . . 3.670 2.790 2.434 3.151 . 0 0 "[ . 1 . 2]" 1
341 1 17 THR HB 1 19 PHE QD . . 4.080 3.602 3.228 3.973 . 0 0 "[ . 1 . 2]" 1
342 1 17 THR HB 1 19 PHE QE . . 5.090 3.141 2.731 3.384 . 0 0 "[ . 1 . 2]" 1
343 1 17 THR HB 1 86 GLU HA . . 5.160 4.617 4.419 4.852 . 0 0 "[ . 1 . 2]" 1
344 1 17 THR HB 1 87 LEU QD . . 4.260 2.824 2.119 3.585 . 0 0 "[ . 1 . 2]" 1
345 1 17 THR HB 1 87 LEU HG . . 4.880 4.115 3.256 4.963 0.083 18 0 "[ . 1 . 2]" 1
346 1 17 THR MG 1 18 TYR H . . 3.990 3.343 2.961 3.670 . 0 0 "[ . 1 . 2]" 1
347 1 17 THR MG 1 19 PHE H . . 4.360 4.254 4.032 4.442 0.082 12 0 "[ . 1 . 2]" 1
348 1 17 THR MG 1 19 PHE HZ . . 5.180 2.281 2.115 2.606 . 0 0 "[ . 1 . 2]" 1
349 1 17 THR MG 1 85 ILE HB . . 4.580 3.066 2.315 3.803 . 0 0 "[ . 1 . 2]" 1
350 1 17 THR MG 1 85 ILE MG . . 3.240 2.051 1.894 2.258 . 0 0 "[ . 1 . 2]" 1
351 1 17 THR MG 1 86 GLU H . . 4.440 3.300 3.058 3.530 . 0 0 "[ . 1 . 2]" 1
352 1 17 THR MG 1 86 GLU HA . . 3.310 2.033 1.897 2.225 . 0 0 "[ . 1 . 2]" 1
353 1 17 THR MG 1 87 LEU H . . 3.920 3.329 2.558 4.004 0.084 17 0 "[ . 1 . 2]" 1
354 1 17 THR MG 1 87 LEU HA . . 4.340 4.039 3.402 4.427 0.087 17 0 "[ . 1 . 2]" 1
355 1 17 THR MG 1 87 LEU HG . . 3.540 2.879 2.139 3.672 0.132 13 0 "[ . 1 . 2]" 1
356 1 18 TYR H 1 18 TYR HB3 . . 3.820 2.700 2.267 2.992 . 0 0 "[ . 1 . 2]" 1
357 1 18 TYR H 1 19 PHE H . . 3.450 2.839 2.346 3.060 . 0 0 "[ . 1 . 2]" 1
358 1 18 TYR H 1 19 PHE HA . . 5.200 5.190 4.831 5.280 0.080 19 0 "[ . 1 . 2]" 1
359 1 18 TYR H 1 86 GLU HA . . 5.500 5.571 5.512 5.587 0.087 7 0 "[ . 1 . 2]" 1
360 1 18 TYR H 1 87 LEU QD . . 3.840 2.752 1.905 3.476 . 0 0 "[ . 1 . 2]" 1
361 1 18 TYR H 1 87 LEU HG . . 5.500 4.079 3.474 4.668 . 0 0 "[ . 1 . 2]" 1
362 1 18 TYR QD 1 19 PHE H . . 3.970 3.247 2.836 3.964 . 0 0 "[ . 1 . 2]" 1
363 1 18 TYR QD 1 19 PHE HA . . 4.260 4.210 3.406 4.366 0.106 5 0 "[ . 1 . 2]" 1
364 1 18 TYR QD 1 87 LEU QD . . 3.310 2.613 2.144 3.328 0.018 20 0 "[ . 1 . 2]" 1
365 1 18 TYR QE 1 19 PHE HB3 . . 4.280 3.876 3.239 4.351 0.071 7 0 "[ . 1 . 2]" 1
366 1 18 TYR QE 1 87 LEU QD . . 3.230 2.618 2.361 3.103 . 0 0 "[ . 1 . 2]" 1
367 1 19 PHE H 1 19 PHE HB3 . . 4.000 3.345 3.082 3.524 . 0 0 "[ . 1 . 2]" 1
368 1 19 PHE H 1 19 PHE QD . . 3.390 3.214 2.980 3.387 . 0 0 "[ . 1 . 2]" 1
369 1 19 PHE H 1 19 PHE QE . . 4.640 4.225 3.934 4.558 . 0 0 "[ . 1 . 2]" 1
370 1 19 PHE H 1 20 ASN H . . 4.710 4.385 4.251 4.510 . 0 0 "[ . 1 . 2]" 1
371 1 19 PHE H 1 41 SER HA . . 4.990 4.318 3.832 5.038 0.048 17 0 "[ . 1 . 2]" 1
372 1 19 PHE HA 1 19 PHE QD . . 3.870 3.759 3.713 3.843 . 0 0 "[ . 1 . 2]" 1
373 1 19 PHE HA 1 20 ASN H . . 2.960 2.576 2.379 2.953 . 0 0 "[ . 1 . 2]" 1
374 1 19 PHE HA 1 64 GLN HE21 . . 5.500 4.934 3.208 6.329 0.829 15 2 "[ . -1 + 2]" 1
375 1 19 PHE HB3 1 20 ASN H . . 3.540 3.516 3.360 3.603 0.063 3 0 "[ . 1 . 2]" 1
376 1 19 PHE HB3 1 63 THR MG . . 5.500 4.490 4.009 5.029 . 0 0 "[ . 1 . 2]" 1
377 1 19 PHE HB3 1 64 GLN HB3 . . 5.000 3.969 3.379 4.399 . 0 0 "[ . 1 . 2]" 1
378 1 19 PHE HB3 1 93 VAL QG . . 5.500 5.014 4.733 5.158 . 0 0 "[ . 1 . 2]" 1
379 1 19 PHE QD 1 20 ASN H . . 3.980 3.152 2.571 3.359 . 0 0 "[ . 1 . 2]" 1
380 1 19 PHE QD 1 21 VAL QG . . 4.160 2.201 2.011 2.349 . 0 0 "[ . 1 . 2]" 1
381 1 19 PHE QD 1 63 THR HA . . 4.190 3.655 3.198 4.100 . 0 0 "[ . 1 . 2]" 1
382 1 19 PHE QD 1 63 THR HB . . 4.000 3.173 2.780 3.522 . 0 0 "[ . 1 . 2]" 1
383 1 19 PHE QD 1 63 THR MG . . 4.060 3.107 2.382 3.623 . 0 0 "[ . 1 . 2]" 1
384 1 19 PHE QD 1 64 GLN H . . 5.020 3.649 3.122 4.202 . 0 0 "[ . 1 . 2]" 1
385 1 19 PHE QD 1 64 GLN HB3 . . 5.500 4.762 4.105 5.223 . 0 0 "[ . 1 . 2]" 1
386 1 19 PHE QD 1 87 LEU QD . . 5.150 3.391 2.916 3.993 . 0 0 "[ . 1 . 2]" 1
387 1 19 PHE QD 1 93 VAL QG . . 3.330 3.310 3.172 3.355 0.025 4 0 "[ . 1 . 2]" 1
388 1 19 PHE QE 1 20 ASN H . . 5.500 5.413 4.931 5.591 0.091 18 0 "[ . 1 . 2]" 1
389 1 19 PHE QE 1 21 VAL QG . . 4.150 2.086 1.975 2.251 . 0 0 "[ . 1 . 2]" 1
390 1 19 PHE QE 1 63 THR HB . . 3.990 4.003 3.652 4.087 0.097 9 0 "[ . 1 . 2]" 1
391 1 19 PHE QE 1 63 THR MG . . 3.580 2.734 2.456 3.083 . 0 0 "[ . 1 . 2]" 1
392 1 19 PHE QE 1 64 GLN H . . 5.500 5.173 4.822 5.491 . 0 0 "[ . 1 . 2]" 1
393 1 19 PHE QE 1 87 LEU QD . . 3.740 2.275 2.011 2.861 . 0 0 "[ . 1 . 2]" 1
394 1 19 PHE QE 1 93 VAL QG . . 3.050 1.953 1.882 2.094 . 0 0 "[ . 1 . 2]" 1
395 1 19 PHE HZ 1 63 THR HB . . 5.350 4.925 4.430 5.226 . 0 0 "[ . 1 . 2]" 1
396 1 19 PHE HZ 1 63 THR MG . . 3.940 3.043 2.798 3.360 . 0 0 "[ . 1 . 2]" 1
397 1 19 PHE HZ 1 93 VAL QG . . 2.990 1.991 1.910 2.106 . 0 0 "[ . 1 . 2]" 1
398 1 20 ASN H 1 20 ASN HB3 . . 3.440 2.435 2.277 2.793 . 0 0 "[ . 1 . 2]" 1
399 1 20 ASN H 1 20 ASN HD21 . . 4.710 4.445 3.991 4.777 0.067 17 0 "[ . 1 . 2]" 1
400 1 20 ASN H 1 21 VAL H . . 4.850 4.509 4.299 4.638 . 0 0 "[ . 1 . 2]" 1
401 1 20 ASN H 1 21 VAL QG . . 5.500 4.147 3.582 4.425 . 0 0 "[ . 1 . 2]" 1
402 1 20 ASN H 1 64 GLN H . . 4.400 3.248 2.659 3.862 . 0 0 "[ . 1 . 2]" 1
403 1 20 ASN H 1 64 GLN HA . . 5.500 4.763 4.089 5.357 . 0 0 "[ . 1 . 2]" 1
404 1 20 ASN H 1 64 GLN HB3 . . 4.470 3.067 2.472 3.775 . 0 0 "[ . 1 . 2]" 1
405 1 20 ASN H 1 64 GLN HE21 . . 5.500 4.152 3.220 5.249 . 0 0 "[ . 1 . 2]" 1
406 1 20 ASN H 1 64 GLN HE22 . . 5.500 4.730 3.568 5.575 0.075 18 0 "[ . 1 . 2]" 1
407 1 20 ASN HA 1 21 VAL H . . 3.250 2.371 2.305 2.443 . 0 0 "[ . 1 . 2]" 1
408 1 20 ASN HA 1 40 GLY HA2 . . 3.920 3.288 2.514 3.979 0.059 16 0 "[ . 1 . 2]" 1
409 1 20 ASN HB3 1 21 VAL H . . 4.150 4.038 3.906 4.208 0.058 12 0 "[ . 1 . 2]" 1
410 1 20 ASN HB3 1 21 VAL QG . . 5.500 4.767 4.666 4.877 . 0 0 "[ . 1 . 2]" 1
411 1 20 ASN HB3 1 38 THR MG . . 5.080 4.713 4.524 5.066 . 0 0 "[ . 1 . 2]" 1
412 1 20 ASN HB3 1 40 GLY HA2 . . 5.330 4.882 4.417 5.393 0.063 17 0 "[ . 1 . 2]" 1
413 1 20 ASN HB3 1 64 GLN H . . 5.500 4.232 3.878 5.056 . 0 0 "[ . 1 . 2]" 1
414 1 20 ASN HB3 1 64 GLN HB3 . . 4.290 3.904 3.157 4.348 0.058 4 0 "[ . 1 . 2]" 1
415 1 20 ASN HD21 1 21 VAL H . . 5.500 4.144 3.217 4.822 . 0 0 "[ . 1 . 2]" 1
416 1 20 ASN HD21 1 22 LYS H . . 5.500 5.140 4.552 5.564 0.064 19 0 "[ . 1 . 2]" 1
417 1 20 ASN HD21 1 38 THR MG . . 5.020 3.511 3.050 4.278 . 0 0 "[ . 1 . 2]" 1
418 1 20 ASN HD21 1 64 GLN HB3 . . 5.500 5.057 3.554 5.550 0.050 8 0 "[ . 1 . 2]" 1
419 1 20 ASN HD22 1 21 VAL H . . 5.500 3.887 3.311 4.471 . 0 0 "[ . 1 . 2]" 1
420 1 20 ASN HD22 1 22 LYS HA . . 5.500 4.314 3.935 4.860 . 0 0 "[ . 1 . 2]" 1
421 1 20 ASN HD22 1 38 THR MG . . 5.030 2.117 1.759 2.990 . 0 0 "[ . 1 . 2]" 1
422 1 20 ASN HD22 1 39 LEU H . . 5.500 4.293 3.343 5.223 . 0 0 "[ . 1 . 2]" 1
423 1 20 ASN HD22 1 40 GLY HA2 . . 5.500 4.972 4.523 5.558 0.058 12 0 "[ . 1 . 2]" 1
424 1 21 VAL H 1 21 VAL QG . . 3.360 2.264 2.073 2.572 . 0 0 "[ . 1 . 2]" 1
425 1 21 VAL H 1 22 LYS H . . 4.850 4.374 3.942 4.508 . 0 0 "[ . 1 . 2]" 1
426 1 21 VAL H 1 39 LEU H . . 3.990 2.959 2.772 3.211 . 0 0 "[ . 1 . 2]" 1
427 1 21 VAL H 1 40 GLY HA2 . . 4.910 4.104 3.513 4.427 . 0 0 "[ . 1 . 2]" 1
428 1 21 VAL HA 1 21 VAL QG . . 3.270 2.294 2.206 2.372 . 0 0 "[ . 1 . 2]" 1
429 1 21 VAL HA 1 22 LYS H . . 3.190 2.261 1.993 2.372 . 0 0 "[ . 1 . 2]" 1
430 1 21 VAL HA 1 22 LYS HG3 . . 5.140 5.317 5.144 5.494 0.354 15 0 "[ . 1 . 2]" 1
431 1 21 VAL HA 1 23 ASN QD . . 4.880 3.905 3.209 4.353 . 0 0 "[ . 1 . 2]" 1
432 1 21 VAL HA 1 64 GLN H . . 4.590 3.697 3.153 4.073 . 0 0 "[ . 1 . 2]" 1
433 1 21 VAL HA 1 69 PHE HZ . . 5.470 5.359 4.753 5.561 0.091 10 0 "[ . 1 . 2]" 1
434 1 21 VAL HB 1 22 LYS H . . 3.490 2.909 2.603 3.597 0.107 11 0 "[ . 1 . 2]" 1
435 1 21 VAL HB 1 23 ASN H . . 5.500 3.396 3.058 4.461 . 0 0 "[ . 1 . 2]" 1
436 1 21 VAL HB 1 24 ILE MD . . 4.020 2.822 2.058 3.907 . 0 0 "[ . 1 . 2]" 1
437 1 21 VAL HB 1 62 THR H . . 4.890 3.968 3.525 4.992 0.102 11 0 "[ . 1 . 2]" 1
438 1 21 VAL HB 1 69 PHE QR . . 3.520 3.595 3.212 3.715 0.195 11 0 "[ . 1 . 2]" 1
439 1 21 VAL HB 1 69 PHE QE . . 3.620 3.627 3.233 3.748 0.128 11 0 "[ . 1 . 2]" 1
440 1 21 VAL HB 1 69 PHE HZ . . 4.010 3.297 2.612 4.074 0.064 11 0 "[ . 1 . 2]" 1
441 1 21 VAL QG 1 22 LYS H . . 3.780 3.355 2.418 3.524 . 0 0 "[ . 1 . 2]" 1
442 1 21 VAL QG 1 22 LYS HA . . 4.460 4.197 3.902 4.361 . 0 0 "[ . 1 . 2]" 1
443 1 21 VAL QG 1 23 ASN H . . 5.300 3.738 2.598 4.055 . 0 0 "[ . 1 . 2]" 1
444 1 21 VAL QG 1 39 LEU H . . 3.900 2.881 2.471 3.658 . 0 0 "[ . 1 . 2]" 1
445 1 21 VAL QG 1 39 LEU HA . . 5.500 4.185 3.997 4.975 . 0 0 "[ . 1 . 2]" 1
446 1 21 VAL QG 1 39 LEU HG . . 5.120 3.878 3.314 4.750 . 0 0 "[ . 1 . 2]" 1
447 1 21 VAL QG 1 62 THR H . . 4.770 3.676 2.205 4.198 . 0 0 "[ . 1 . 2]" 1
448 1 21 VAL QG 1 63 THR HA . . 3.340 2.006 1.903 2.130 . 0 0 "[ . 1 . 2]" 1
449 1 21 VAL QG 1 63 THR HB . . 4.510 3.485 2.994 3.915 . 0 0 "[ . 1 . 2]" 1
450 1 21 VAL QG 1 63 THR MG . . 3.670 2.708 2.221 3.364 . 0 0 "[ . 1 . 2]" 1
451 1 21 VAL QG 1 64 GLN H . . 4.780 3.503 3.280 3.661 . 0 0 "[ . 1 . 2]" 1
452 1 21 VAL QG 1 69 PHE QR . . 3.300 2.110 1.724 2.257 . 0 0 "[ . 1 . 2]" 1
453 1 21 VAL QG 1 69 PHE HZ . . 3.360 2.452 2.042 2.833 . 0 0 "[ . 1 . 2]" 1
454 1 21 VAL QG 1 85 ILE MD . . 3.420 2.595 2.027 2.950 . 0 0 "[ . 1 . 2]" 1
455 1 21 VAL QG 1 85 ILE MG . . 3.770 3.233 2.928 3.681 . 0 0 "[ . 1 . 2]" 1
456 1 22 LYS H 1 22 LYS HG3 . . 3.790 3.908 3.717 4.229 0.439 11 0 "[ . 1 . 2]" 1
457 1 22 LYS H 1 23 ASN H . . 4.670 2.495 2.251 2.849 . 0 0 "[ . 1 . 2]" 1
458 1 22 LYS H 1 24 ILE MD . . 5.350 4.117 3.216 5.358 0.008 15 0 "[ . 1 . 2]" 1
459 1 22 LYS H 1 24 ILE HG13 . . 5.500 4.538 3.822 6.825 1.325 12 2 "[ . - 1 + . 2]" 1
460 1 22 LYS H 1 62 THR H . . 4.390 4.286 3.912 4.463 0.073 4 0 "[ . 1 . 2]" 1
461 1 22 LYS H 1 62 THR HB . . 4.950 4.793 4.510 4.973 0.023 3 0 "[ . 1 . 2]" 1
462 1 22 LYS H 1 64 GLN HA . . 5.500 5.503 5.090 5.587 0.087 11 0 "[ . 1 . 2]" 1
463 1 22 LYS HA 1 23 ASN H . . 3.010 2.919 2.760 3.072 0.062 20 0 "[ . 1 . 2]" 1
464 1 22 LYS HA 1 23 ASN HA . . 4.390 4.469 4.433 4.481 0.091 13 0 "[ . 1 . 2]" 1
465 1 22 LYS HA 1 24 ILE H . . 4.730 4.670 4.226 4.813 0.083 18 0 "[ . 1 . 2]" 1
466 1 22 LYS HA 1 38 THR H . . 4.690 4.576 4.412 4.730 0.040 6 0 "[ . 1 . 2]" 1
467 1 22 LYS HA 1 38 THR HA . . 3.180 1.981 1.895 2.106 . 0 0 "[ . 1 . 2]" 1
468 1 22 LYS HA 1 38 THR HB . . 4.210 4.272 4.213 4.305 0.095 14 0 "[ . 1 . 2]" 1
469 1 22 LYS HA 1 38 THR MG . . 4.230 2.648 2.361 2.856 . 0 0 "[ . 1 . 2]" 1
470 1 22 LYS HA 1 39 LEU H . . 4.030 3.521 3.300 3.681 . 0 0 "[ . 1 . 2]" 1
471 1 22 LYS HG3 1 23 ASN H . . 5.420 5.290 5.018 5.510 0.090 11 0 "[ . 1 . 2]" 1
472 1 22 LYS HG3 1 23 ASN QD . . 4.790 4.840 4.142 5.264 0.474 4 0 "[ . 1 . 2]" 1
473 1 22 LYS HG3 1 62 THR HB . . 4.650 6.080 5.746 6.269 1.619 12 20 [***********+*****-**] 1
474 1 22 LYS HG3 1 64 GLN HA . . 5.500 5.302 4.903 5.554 0.054 4 0 "[ . 1 . 2]" 1
475 1 23 ASN H 1 23 ASN HB3 . . 4.030 3.769 3.625 3.884 . 0 0 "[ . 1 . 2]" 1
476 1 23 ASN H 1 23 ASN QD . . 5.180 2.670 2.195 3.078 . 0 0 "[ . 1 . 2]" 1
477 1 23 ASN H 1 24 ILE H . . 3.870 2.489 1.914 2.736 . 0 0 "[ . 1 . 2]" 1
478 1 23 ASN H 1 24 ILE HA . . 4.150 4.122 3.940 4.228 0.078 12 0 "[ . 1 . 2]" 1
479 1 23 ASN H 1 24 ILE MD . . 4.070 2.989 1.893 4.181 0.111 18 0 "[ . 1 . 2]" 1
480 1 23 ASN H 1 24 ILE HG13 . . 5.500 3.066 2.578 5.085 . 0 0 "[ . 1 . 2]" 1
481 1 23 ASN H 1 36 VAL H . . 5.500 5.503 5.196 5.577 0.077 3 0 "[ . 1 . 2]" 1
482 1 23 ASN H 1 38 THR HA . . 4.150 4.014 3.711 4.219 0.069 10 0 "[ . 1 . 2]" 1
483 1 23 ASN H 1 38 THR MG . . 4.950 5.027 4.973 5.061 0.111 15 0 "[ . 1 . 2]" 1
484 1 23 ASN HA 1 24 ILE H . . 3.340 2.642 2.370 3.046 . 0 0 "[ . 1 . 2]" 1
485 1 23 ASN HA 1 24 ILE HB . . 5.330 5.302 4.886 5.412 0.082 17 0 "[ . 1 . 2]" 1
486 1 23 ASN HA 1 24 ILE HG13 . . 5.500 4.936 4.419 6.548 1.048 7 2 "[ . + 1 - . 2]" 1
487 1 23 ASN HA 1 35 THR MG . . 4.930 4.809 4.193 5.048 0.118 13 0 "[ . 1 . 2]" 1
488 1 23 ASN HA 1 36 VAL H . . 4.720 4.636 4.138 4.804 0.084 6 0 "[ . 1 . 2]" 1
489 1 23 ASN HB3 1 24 ILE H . . 4.780 4.734 4.567 4.827 0.047 7 0 "[ . 1 . 2]" 1
490 1 23 ASN HB3 1 24 ILE HA . . 4.780 5.921 5.802 5.992 1.212 15 20 [***********-**+*****] 1
491 1 23 ASN HB3 1 62 THR H . . 5.370 5.353 5.129 5.428 0.058 14 0 "[ . 1 . 2]" 1
492 1 23 ASN HB3 1 62 THR HB . . 4.830 5.039 4.519 5.485 0.655 19 3 "[ - . 1 * +2]" 1
493 1 23 ASN QD 1 24 ILE HA . . 4.410 3.542 2.963 4.364 . 0 0 "[ . 1 . 2]" 1
494 1 23 ASN QD 1 62 THR HB . . 5.500 2.057 1.707 2.483 . 0 0 "[ . 1 . 2]" 1
495 1 23 ASN QD 1 63 THR HA . . 4.820 4.434 3.988 4.660 . 0 0 "[ . 1 . 2]" 1
496 1 24 ILE H 1 24 ILE HB . . 3.310 2.722 2.496 2.927 . 0 0 "[ . 1 . 2]" 1
497 1 24 ILE H 1 24 ILE MD . . 3.840 2.661 1.751 3.819 . 0 0 "[ . 1 . 2]" 1
498 1 24 ILE H 1 24 ILE HG13 . . 3.800 2.814 2.111 3.987 0.187 12 0 "[ . 1 . 2]" 1
499 1 24 ILE H 1 24 ILE MG . . 4.190 3.855 3.782 3.914 . 0 0 "[ . 1 . 2]" 1
500 1 24 ILE H 1 25 LYS H . . 5.190 4.364 4.160 4.571 . 0 0 "[ . 1 . 2]" 1
501 1 24 ILE H 1 35 THR HA . . 5.190 4.767 4.472 5.229 0.039 5 0 "[ . 1 . 2]" 1
502 1 24 ILE H 1 36 VAL H . . 3.980 3.151 2.845 3.574 . 0 0 "[ . 1 . 2]" 1
503 1 24 ILE H 1 36 VAL HB . . 4.630 3.533 2.784 4.720 0.090 17 0 "[ . 1 . 2]" 1
504 1 24 ILE H 1 36 VAL QG . . 4.850 3.486 1.808 4.059 . 0 0 "[ . 1 . 2]" 1
505 1 24 ILE H 1 61 GLY HA2 . . 5.500 5.114 4.696 5.401 . 0 0 "[ . 1 . 2]" 1
506 1 24 ILE H 1 61 GLY HA3 . . 5.500 5.165 4.825 5.452 . 0 0 "[ . 1 . 2]" 1
507 1 24 ILE HA 1 24 ILE MD . . 4.090 3.621 2.213 4.032 . 0 0 "[ . 1 . 2]" 1
508 1 24 ILE HA 1 24 ILE HG13 . . 3.750 2.982 2.519 3.756 0.006 12 0 "[ . 1 . 2]" 1
509 1 24 ILE HA 1 24 ILE MG . . 3.370 2.278 2.172 2.490 . 0 0 "[ . 1 . 2]" 1
510 1 24 ILE HA 1 25 LYS H . . 3.150 2.180 2.097 2.281 . 0 0 "[ . 1 . 2]" 1
511 1 24 ILE HA 1 25 LYS HB3 . . 4.540 5.189 4.529 5.732 1.192 19 14 "[*** .-* *** ****+*]" 1
512 1 24 ILE HA 1 60 THR H . . 4.700 4.621 4.270 4.771 0.071 14 0 "[ . 1 . 2]" 1
513 1 24 ILE HA 1 61 GLY H . . 4.780 4.738 4.478 4.852 0.072 11 0 "[ . 1 . 2]" 1
514 1 24 ILE HA 1 61 GLY HA2 . . 3.730 2.688 2.266 3.101 . 0 0 "[ . 1 . 2]" 1
515 1 24 ILE HA 1 61 GLY HA3 . . 3.720 2.565 2.309 2.862 . 0 0 "[ . 1 . 2]" 1
516 1 24 ILE HA 1 62 THR H . . 4.360 3.868 3.602 4.214 . 0 0 "[ . 1 . 2]" 1
517 1 24 ILE HB 1 24 ILE MD . . 3.160 2.367 2.134 3.241 0.081 12 0 "[ . 1 . 2]" 1
518 1 24 ILE HB 1 25 LYS H . . 4.830 4.218 3.811 4.454 . 0 0 "[ . 1 . 2]" 1
519 1 24 ILE HB 1 36 VAL H . . 4.250 3.168 2.757 3.833 . 0 0 "[ . 1 . 2]" 1
520 1 24 ILE MD 1 38 THR HA . . 5.040 3.798 2.807 5.113 0.073 12 0 "[ . 1 . 2]" 1
521 1 24 ILE MD 1 62 THR H . . 5.500 4.939 2.927 5.602 0.102 4 0 "[ . 1 . 2]" 1
522 1 24 ILE MD 1 69 PHE QR . . 3.800 4.302 2.899 4.776 0.976 19 11 "[ * -* **** *.* +*]" 1
523 1 24 ILE HG13 1 36 VAL HB . . 4.720 4.408 2.423 5.673 0.953 7 2 "[ . + 1 - . 2]" 1
524 1 24 ILE HG13 1 61 GLY HA3 . . 5.500 4.041 2.766 5.232 . 0 0 "[ . 1 . 2]" 1
525 1 24 ILE MG 1 25 LYS H . . 3.410 2.955 2.427 3.445 0.035 19 0 "[ . 1 . 2]" 1
526 1 24 ILE MG 1 26 VAL H . . 4.750 4.471 4.050 4.850 0.100 19 0 "[ . 1 . 2]" 1
527 1 24 ILE MG 1 26 VAL HB . . 5.380 4.027 2.777 5.238 . 0 0 "[ . 1 . 2]" 1
528 1 24 ILE MG 1 60 THR H . . 4.320 3.593 3.107 4.085 . 0 0 "[ . 1 . 2]" 1
529 1 24 ILE MG 1 61 GLY HA2 . . 4.280 3.853 3.286 4.368 0.088 4 0 "[ . 1 . 2]" 1
530 1 24 ILE MG 1 61 GLY HA3 . . 4.450 2.830 2.416 3.598 . 0 0 "[ . 1 . 2]" 1
531 1 24 ILE MG 1 62 THR H . . 5.000 4.716 4.408 5.093 0.093 4 0 "[ . 1 . 2]" 1
532 1 24 ILE MG 1 69 PHE QR . . 4.140 2.653 1.993 3.297 . 0 0 "[ . 1 . 2]" 1
533 1 24 ILE MG 1 69 PHE HZ . . 3.550 2.981 2.419 3.642 0.092 12 0 "[ . 1 . 2]" 1
534 1 25 LYS H 1 25 LYS HB3 . . 3.470 3.072 2.433 3.602 0.132 19 0 "[ . 1 . 2]" 1
535 1 25 LYS H 1 35 THR HB . . 5.500 4.950 3.860 5.575 0.075 16 0 "[ . 1 . 2]" 1
536 1 25 LYS H 1 59 VAL HA . . 5.330 5.150 4.696 5.399 0.069 20 0 "[ . 1 . 2]" 1
537 1 25 LYS H 1 60 THR H . . 3.810 3.324 2.795 3.611 . 0 0 "[ . 1 . 2]" 1
538 1 25 LYS H 1 60 THR MG . . 4.280 3.763 3.202 4.072 . 0 0 "[ . 1 . 2]" 1
539 1 25 LYS H 1 61 GLY H . . 5.500 4.714 4.495 4.876 . 0 0 "[ . 1 . 2]" 1
540 1 25 LYS H 1 61 GLY HA2 . . 4.440 3.092 2.867 3.327 . 0 0 "[ . 1 . 2]" 1
541 1 25 LYS H 1 61 GLY HA3 . . 4.370 3.660 3.298 4.036 . 0 0 "[ . 1 . 2]" 1
542 1 25 LYS H 1 62 THR H . . 5.500 5.271 5.040 5.582 0.082 11 0 "[ . 1 . 2]" 1
543 1 25 LYS H 1 69 PHE QE . . 5.500 5.363 4.703 5.591 0.091 3 0 "[ . 1 . 2]" 1
544 1 25 LYS HA 1 25 LYS HE3 . . 5.300 4.312 2.574 5.227 . 0 0 "[ . 1 . 2]" 1
545 1 25 LYS HA 1 26 VAL H . . 2.990 2.262 2.124 2.384 . 0 0 "[ . 1 . 2]" 1
546 1 25 LYS HA 1 34 GLN H . . 4.780 4.409 3.888 4.776 . 0 0 "[ . 1 . 2]" 1
547 1 25 LYS HA 1 35 THR HA . . 3.470 2.536 2.276 2.745 . 0 0 "[ . 1 . 2]" 1
548 1 25 LYS HA 1 35 THR HB . . 4.470 3.248 2.029 4.033 . 0 0 "[ . 1 . 2]" 1
549 1 25 LYS HA 1 35 THR MG . . 5.160 2.705 2.028 4.236 . 0 0 "[ . 1 . 2]" 1
550 1 25 LYS HA 1 36 VAL H . . 4.280 4.078 3.764 4.330 0.050 7 0 "[ . 1 . 2]" 1
551 1 25 LYS HA 1 36 VAL QG . . 5.500 4.761 4.080 5.270 . 0 0 "[ . 1 . 2]" 1
552 1 25 LYS HA 1 60 THR MG . . 4.960 4.619 4.315 4.945 . 0 0 "[ . 1 . 2]" 1
553 1 25 LYS HB3 1 26 VAL H . . 4.800 3.630 2.909 4.215 . 0 0 "[ . 1 . 2]" 1
554 1 25 LYS HB3 1 60 THR H . . 4.900 3.458 2.396 4.121 . 0 0 "[ . 1 . 2]" 1
555 1 25 LYS HB3 1 60 THR MG . . 4.110 2.268 2.037 2.677 . 0 0 "[ . 1 . 2]" 1
556 1 25 LYS HE3 1 34 GLN H . . 5.280 4.018 3.111 5.849 0.569 16 1 "[ . 1 .+ 2]" 1
557 1 25 LYS HE3 1 35 THR MG . . 4.940 4.336 1.781 5.031 0.091 7 0 "[ . 1 . 2]" 1
558 1 26 VAL H 1 26 VAL HB . . 3.840 3.057 2.528 3.888 0.048 3 0 "[ . 1 . 2]" 1
559 1 26 VAL H 1 26 VAL QG . . 4.130 2.433 2.194 2.705 . 0 0 "[ . 1 . 2]" 1
560 1 26 VAL H 1 34 GLN HA . . 5.500 4.888 4.537 5.403 . 0 0 "[ . 1 . 2]" 1
561 1 26 VAL H 1 35 THR HA . . 4.040 3.370 2.928 3.800 . 0 0 "[ . 1 . 2]" 1
562 1 26 VAL H 1 35 THR HB . . 5.500 4.972 3.685 5.582 0.082 14 0 "[ . 1 . 2]" 1
563 1 26 VAL H 1 47 PHE QE . . 5.500 5.498 4.995 5.596 0.096 8 0 "[ . 1 . 2]" 1
564 1 26 VAL HA 1 27 THR H . . 3.150 2.285 2.148 2.409 . 0 0 "[ . 1 . 2]" 1
565 1 26 VAL HA 1 27 THR HB . . 5.280 4.741 4.365 5.228 . 0 0 "[ . 1 . 2]" 1
566 1 26 VAL HA 1 27 THR MG . . 5.500 5.410 5.150 5.570 0.070 3 0 "[ . 1 . 2]" 1
567 1 26 VAL HA 1 58 ASP H . . 5.500 4.811 4.507 5.189 . 0 0 "[ . 1 . 2]" 1
568 1 26 VAL HA 1 60 THR H . . 5.100 3.684 3.319 4.349 . 0 0 "[ . 1 . 2]" 1
569 1 26 VAL HB 1 27 THR H . . 5.290 4.054 2.939 4.494 . 0 0 "[ . 1 . 2]" 1
570 1 26 VAL HB 1 28 TRP HZ3 . . 5.150 4.381 2.445 5.227 0.077 20 0 "[ . 1 . 2]" 1
571 1 26 VAL HB 1 47 PHE QE . . 4.620 4.072 2.948 4.666 0.046 14 0 "[ . 1 . 2]" 1
572 1 26 VAL HB 1 47 PHE HZ . . 4.300 3.555 2.897 4.382 0.082 14 0 "[ . 1 . 2]" 1
573 1 26 VAL HB 1 57 MET ME . . 5.130 4.638 3.492 5.236 0.106 8 0 "[ . 1 . 2]" 1
574 1 26 VAL QG 1 27 THR H . . 4.840 2.693 2.225 3.469 . 0 0 "[ . 1 . 2]" 1
575 1 26 VAL QG 1 28 TRP HE3 . . 3.590 2.291 2.049 2.613 . 0 0 "[ . 1 . 2]" 1
576 1 26 VAL QG 1 28 TRP HH2 . . 4.720 4.329 3.806 4.644 . 0 0 "[ . 1 . 2]" 1
577 1 26 VAL QG 1 28 TRP HZ3 . . 4.450 2.453 2.082 2.863 . 0 0 "[ . 1 . 2]" 1
578 1 26 VAL QG 1 33 GLU HA . . 5.500 3.821 3.358 4.324 . 0 0 "[ . 1 . 2]" 1
579 1 26 VAL QG 1 47 PHE HZ . . 3.310 1.998 1.825 2.152 . 0 0 "[ . 1 . 2]" 1
580 1 26 VAL QG 1 57 MET ME . . 3.340 2.439 1.938 3.319 . 0 0 "[ . 1 . 2]" 1
581 1 26 VAL QG 1 83 VAL QG . . 4.520 2.879 2.454 3.581 . 0 0 "[ . 1 . 2]" 1
582 1 27 THR H 1 27 THR MG . . 3.950 3.896 3.792 3.985 0.035 15 0 "[ . 1 . 2]" 1
583 1 27 THR H 1 28 TRP HE3 . . 5.500 3.957 3.308 4.445 . 0 0 "[ . 1 . 2]" 1
584 1 27 THR H 1 57 MET ME . . 5.500 4.238 3.075 5.120 . 0 0 "[ . 1 . 2]" 1
585 1 27 THR H 1 58 ASP H . . 4.580 2.898 2.571 3.269 . 0 0 "[ . 1 . 2]" 1
586 1 27 THR H 1 59 VAL HA . . 3.870 3.377 2.745 3.806 . 0 0 "[ . 1 . 2]" 1
587 1 27 THR H 1 59 VAL QG . . 4.610 3.808 3.215 4.526 . 0 0 "[ . 1 . 2]" 1
588 1 27 THR H 1 60 THR H . . 5.500 5.211 4.834 5.554 0.054 19 0 "[ . 1 . 2]" 1
589 1 27 THR HA 1 27 THR MG . . 3.360 2.329 2.194 2.401 . 0 0 "[ . 1 . 2]" 1
590 1 27 THR HA 1 28 TRP H . . 3.350 2.308 2.185 2.384 . 0 0 "[ . 1 . 2]" 1
591 1 27 THR HA 1 28 TRP HE3 . . 4.440 2.890 2.629 3.274 . 0 0 "[ . 1 . 2]" 1
592 1 27 THR HA 1 32 LYS H . . 5.500 5.058 4.358 5.564 0.064 9 0 "[ . 1 . 2]" 1
593 1 27 THR HA 1 33 GLU HA . . 3.420 2.276 2.082 2.557 . 0 0 "[ . 1 . 2]" 1
594 1 27 THR HA 1 33 GLU HB3 . . 4.730 2.809 2.107 4.986 0.256 20 0 "[ . 1 . 2]" 1
595 1 27 THR HA 1 34 GLN H . . 4.270 3.946 3.761 4.145 . 0 0 "[ . 1 . 2]" 1
596 1 27 THR HB 1 58 ASP H . . 4.940 2.687 2.141 3.268 . 0 0 "[ . 1 . 2]" 1
597 1 27 THR HB 1 58 ASP HA . . 5.500 4.486 4.139 5.009 . 0 0 "[ . 1 . 2]" 1
598 1 27 THR MG 1 28 TRP H . . 3.680 2.685 2.263 3.409 . 0 0 "[ . 1 . 2]" 1
599 1 27 THR MG 1 28 TRP HE3 . . 5.180 4.546 4.279 4.935 . 0 0 "[ . 1 . 2]" 1
600 1 27 THR MG 1 30 ASP H . . 5.500 5.022 4.554 5.564 0.064 14 0 "[ . 1 . 2]" 1
601 1 27 THR MG 1 31 GLY H . . 4.370 3.164 2.295 4.204 . 0 0 "[ . 1 . 2]" 1
602 1 27 THR MG 1 31 GLY HA2 . . 4.160 3.692 2.432 4.246 0.086 14 0 "[ . 1 . 2]" 1
603 1 27 THR MG 1 33 GLU H . . 5.500 4.184 3.650 4.731 . 0 0 "[ . 1 . 2]" 1
604 1 27 THR MG 1 33 GLU HA . . 3.800 3.381 2.982 3.685 . 0 0 "[ . 1 . 2]" 1
605 1 27 THR MG 1 33 GLU HB3 . . 3.450 2.437 2.015 4.484 1.034 20 1 "[ . 1 . +]" 1
606 1 27 THR MG 1 34 GLN H . . 4.950 4.995 4.697 5.059 0.109 3 0 "[ . 1 . 2]" 1
607 1 28 TRP H 1 28 TRP HE3 . . 4.270 2.849 2.255 3.298 . 0 0 "[ . 1 . 2]" 1
608 1 28 TRP H 1 31 GLY H . . 5.500 5.192 4.618 5.563 0.063 14 0 "[ . 1 . 2]" 1
609 1 28 TRP H 1 32 LYS H . . 5.060 4.277 3.903 4.858 . 0 0 "[ . 1 . 2]" 1
610 1 28 TRP H 1 33 GLU HA . . 4.390 3.621 3.305 4.090 . 0 0 "[ . 1 . 2]" 1
611 1 28 TRP H 1 54 VAL QG . . 5.500 4.592 4.283 4.843 . 0 0 "[ . 1 . 2]" 1
612 1 28 TRP HA 1 29 ASN H . . 3.520 3.007 2.831 3.147 . 0 0 "[ . 1 . 2]" 1
613 1 28 TRP HA 1 29 ASN HA . . 5.160 4.421 4.233 4.578 . 0 0 "[ . 1 . 2]" 1
614 1 28 TRP HA 1 54 VAL QG . . 4.480 2.887 2.636 3.238 . 0 0 "[ . 1 . 2]" 1
615 1 28 TRP HA 1 56 LYS H . . 5.500 4.384 4.123 4.607 . 0 0 "[ . 1 . 2]" 1
616 1 28 TRP HA 1 56 LYS HA . . 5.490 5.531 5.374 5.568 0.078 15 0 "[ . 1 . 2]" 1
617 1 28 TRP HA 1 57 MET H . . 5.500 4.764 4.537 4.925 . 0 0 "[ . 1 . 2]" 1
618 1 28 TRP HA 1 57 MET HB3 . . 5.500 4.988 4.592 5.330 . 0 0 "[ . 1 . 2]" 1
619 1 28 TRP HA 1 57 MET ME . . 4.510 3.313 2.541 3.938 . 0 0 "[ . 1 . 2]" 1
620 1 28 TRP HA 1 58 ASP H . . 4.360 3.717 3.514 4.054 . 0 0 "[ . 1 . 2]" 1
621 1 28 TRP HB3 1 29 ASN H . . 5.390 4.529 4.398 4.609 . 0 0 "[ . 1 . 2]" 1
622 1 28 TRP HB3 1 54 VAL QG . . 4.050 3.114 2.764 3.497 . 0 0 "[ . 1 . 2]" 1
623 1 28 TRP HB3 1 57 MET HA . . 4.370 4.041 3.876 4.193 . 0 0 "[ . 1 . 2]" 1
624 1 28 TRP HB3 1 57 MET ME . . 3.640 2.401 2.079 3.035 . 0 0 "[ . 1 . 2]" 1
625 1 28 TRP HB3 1 58 ASP H . . 5.500 5.052 4.745 5.370 . 0 0 "[ . 1 . 2]" 1
626 1 28 TRP HD1 1 29 ASN HB3 . . 3.870 5.040 4.357 5.510 1.640 11 19 "[**********+**** -***]" 1
627 1 28 TRP HD1 1 29 ASN HD21 . . 3.840 3.283 2.642 3.914 0.074 10 0 "[ . 1 . 2]" 1
628 1 28 TRP HD1 1 51 ALA MB . . 3.990 2.637 2.024 3.437 . 0 0 "[ . 1 . 2]" 1
629 1 28 TRP HD1 1 54 VAL HA . . 5.220 4.578 3.961 5.135 . 0 0 "[ . 1 . 2]" 1
630 1 28 TRP HD1 1 54 VAL QG . . 3.430 2.492 1.922 3.210 . 0 0 "[ . 1 . 2]" 1
631 1 28 TRP HE1 1 32 LYS HD3 . . 5.500 4.373 3.089 5.208 . 0 0 "[ . 1 . 2]" 1
632 1 28 TRP HE1 1 32 LYS HE3 . . 5.500 5.342 3.015 6.343 0.843 18 2 "[ . 1 . +-2]" 1
633 1 28 TRP HE1 1 49 SER H . . 5.500 5.554 5.377 5.586 0.086 18 0 "[ . 1 . 2]" 1
634 1 28 TRP HE1 1 49 SER HA . . 5.180 3.576 3.237 3.990 . 0 0 "[ . 1 . 2]" 1
635 1 28 TRP HE1 1 49 SER HB3 . . 5.500 3.477 2.730 4.318 . 0 0 "[ . 1 . 2]" 1
636 1 28 TRP HE1 1 51 ALA HA . . 5.080 4.675 4.145 5.158 0.078 12 0 "[ . 1 . 2]" 1
637 1 28 TRP HE1 1 51 ALA MB . . 5.500 2.476 1.873 3.104 . 0 0 "[ . 1 . 2]" 1
638 1 28 TRP HE1 1 54 VAL QG . . 5.200 4.231 3.581 4.883 . 0 0 "[ . 1 . 2]" 1
639 1 28 TRP HE3 1 33 GLU HA . . 4.430 3.307 2.848 3.708 . 0 0 "[ . 1 . 2]" 1
640 1 28 TRP HE3 1 34 GLN H . . 4.680 4.383 4.026 4.616 . 0 0 "[ . 1 . 2]" 1
641 1 28 TRP HE3 1 54 VAL QG . . 5.500 4.969 4.580 5.293 . 0 0 "[ . 1 . 2]" 1
642 1 28 TRP HE3 1 57 MET HA . . 5.500 5.522 5.278 5.581 0.081 4 0 "[ . 1 . 2]" 1
643 1 28 TRP HE3 1 57 MET ME . . 4.360 3.565 2.743 4.414 0.054 1 0 "[ . 1 . 2]" 1
644 1 28 TRP HH2 1 33 GLU H . . 5.500 4.704 3.822 5.434 . 0 0 "[ . 1 . 2]" 1
645 1 28 TRP HH2 1 34 GLN H . . 4.800 4.114 3.319 4.838 0.038 18 0 "[ . 1 . 2]" 1
646 1 28 TRP HH2 1 34 GLN HG3 . . 3.770 3.017 2.379 3.476 . 0 0 "[ . 1 . 2]" 1
647 1 28 TRP HH2 1 49 SER HA . . 5.360 3.997 3.270 4.732 . 0 0 "[ . 1 . 2]" 1
648 1 28 TRP HZ2 1 32 LYS HB3 . . 5.500 4.229 2.692 5.549 0.049 11 0 "[ . 1 . 2]" 1
649 1 28 TRP HZ2 1 32 LYS HD3 . . 5.500 3.586 2.400 5.165 . 0 0 "[ . 1 . 2]" 1
650 1 28 TRP HZ2 1 32 LYS HE3 . . 4.860 4.243 2.125 6.042 1.182 17 2 "[ . 1 . + -2]" 1
651 1 28 TRP HZ2 1 49 SER HA . . 3.480 2.642 2.239 3.327 . 0 0 "[ . 1 . 2]" 1
652 1 28 TRP HZ2 1 50 ASP H . . 5.180 2.257 1.766 3.110 . 0 0 "[ . 1 . 2]" 1
653 1 28 TRP HZ2 1 50 ASP HB3 . . 4.760 3.804 2.991 5.370 0.610 16 2 "[ . 1 -+ 2]" 1
654 1 28 TRP HZ2 1 51 ALA H . . 5.500 5.190 4.400 5.561 0.061 9 0 "[ . 1 . 2]" 1
655 1 28 TRP HZ3 1 33 GLU HA . . 4.540 2.750 2.352 3.049 . 0 0 "[ . 1 . 2]" 1
656 1 28 TRP HZ3 1 34 GLN H . . 4.070 2.689 2.214 3.140 . 0 0 "[ . 1 . 2]" 1
657 1 28 TRP HZ3 1 34 GLN HA . . 5.500 4.542 3.828 5.098 . 0 0 "[ . 1 . 2]" 1
658 1 28 TRP HZ3 1 34 GLN HG3 . . 4.940 2.325 2.028 3.255 . 0 0 "[ . 1 . 2]" 1
659 1 29 ASN H 1 30 ASP H . . 5.500 4.304 4.224 4.378 . 0 0 "[ . 1 . 2]" 1
660 1 29 ASN H 1 31 GLY H . . 5.500 4.003 3.359 4.635 . 0 0 "[ . 1 . 2]" 1
661 1 29 ASN H 1 54 VAL QG . . 4.550 4.420 4.236 4.583 0.033 12 0 "[ . 1 . 2]" 1
662 1 29 ASN H 1 56 LYS HG3 . . 4.720 3.789 3.109 4.707 . 0 0 "[ . 1 . 2]" 1
663 1 29 ASN H 1 57 MET HA . . 4.590 4.533 3.957 4.669 0.079 20 0 "[ . 1 . 2]" 1
664 1 29 ASN H 1 58 ASP H . . 5.500 4.834 4.372 5.326 . 0 0 "[ . 1 . 2]" 1
665 1 29 ASN HA 1 29 ASN HD22 . . 5.500 3.581 3.358 3.797 . 0 0 "[ . 1 . 2]" 1
666 1 29 ASN HA 1 55 TYR QE . . 4.770 4.353 3.265 4.852 0.082 12 0 "[ . 1 . 2]" 1
667 1 29 ASN HA 1 56 LYS HD3 . . 5.180 3.078 2.110 4.530 . 0 0 "[ . 1 . 2]" 1
668 1 29 ASN HA 1 56 LYS HG3 . . 4.240 3.143 2.464 3.766 . 0 0 "[ . 1 . 2]" 1
669 1 29 ASN HB3 1 30 ASP H . . 3.730 2.357 1.888 2.604 . 0 0 "[ . 1 . 2]" 1
670 1 29 ASN HB3 1 32 LYS H . . 5.500 2.922 2.206 4.344 . 0 0 "[ . 1 . 2]" 1
671 1 29 ASN HB3 1 51 ALA MB . . 5.170 4.606 3.742 5.543 0.373 12 0 "[ . 1 . 2]" 1
672 1 29 ASN HD21 1 30 ASP H . . 5.270 4.554 4.261 4.834 . 0 0 "[ . 1 . 2]" 1
673 1 29 ASN HD21 1 51 ALA MB . . 4.690 3.446 2.657 4.629 . 0 0 "[ . 1 . 2]" 1
674 1 29 ASN HD21 1 54 VAL HA . . 4.540 3.269 2.756 3.818 . 0 0 "[ . 1 . 2]" 1
675 1 29 ASN HD21 1 54 VAL QG . . 5.500 2.938 2.144 3.344 . 0 0 "[ . 1 . 2]" 1
676 1 29 ASN HD21 1 55 TYR H . . 5.500 4.228 3.553 4.720 . 0 0 "[ . 1 . 2]" 1
677 1 29 ASN HD21 1 55 TYR QD . . 5.500 5.425 4.140 5.595 0.095 9 0 "[ . 1 . 2]" 1
678 1 29 ASN HD22 1 51 ALA MB . . 5.320 3.562 2.795 4.710 . 0 0 "[ . 1 . 2]" 1
679 1 29 ASN HD22 1 54 VAL HA . . 3.810 3.521 2.694 3.889 0.079 18 0 "[ . 1 . 2]" 1
680 1 29 ASN HD22 1 54 VAL QG . . 5.030 3.856 2.596 4.322 . 0 0 "[ . 1 . 2]" 1
681 1 29 ASN HD22 1 55 TYR H . . 5.070 4.506 4.000 4.967 . 0 0 "[ . 1 . 2]" 1
682 1 29 ASN HD22 1 55 TYR QD . . 5.500 5.173 4.007 5.589 0.089 20 0 "[ . 1 . 2]" 1
683 1 29 ASN HD22 1 55 TYR QE . . 5.500 4.312 2.754 5.392 . 0 0 "[ . 1 . 2]" 1
684 1 30 ASP H 1 30 ASP HB3 . . 3.550 3.190 2.316 3.749 0.199 10 0 "[ . 1 . 2]" 1
685 1 30 ASP H 1 31 GLY H . . 3.930 3.419 2.501 4.005 0.075 9 0 "[ . 1 . 2]" 1
686 1 30 ASP H 1 32 LYS H . . 5.500 4.128 3.654 5.209 . 0 0 "[ . 1 . 2]" 1
687 1 30 ASP H 1 55 TYR QE . . 5.500 5.276 4.452 5.590 0.090 11 0 "[ . 1 . 2]" 1
688 1 30 ASP HA 1 31 GLY H . . 3.530 2.639 2.131 3.415 . 0 0 "[ . 1 . 2]" 1
689 1 30 ASP HA 1 31 GLY HA2 . . 5.500 4.344 4.144 4.548 . 0 0 "[ . 1 . 2]" 1
690 1 30 ASP HA 1 31 GLY HA3 . . 5.500 4.593 4.319 5.014 . 0 0 "[ . 1 . 2]" 1
691 1 30 ASP HA 1 32 LYS H . . 5.500 4.491 4.027 5.085 . 0 0 "[ . 1 . 2]" 1
692 1 30 ASP HB3 1 31 GLY H . . 4.660 4.242 3.452 4.544 . 0 0 "[ . 1 . 2]" 1
693 1 31 GLY H 1 32 LYS HB3 . . 5.500 4.991 3.500 5.582 0.082 19 0 "[ . 1 . 2]" 1
694 1 32 LYS H 1 33 GLU H . . 5.490 4.198 3.428 4.510 . 0 0 "[ . 1 . 2]" 1
695 1 32 LYS HA 1 32 LYS HD3 . . 3.930 3.067 2.098 4.027 0.097 18 0 "[ . 1 . 2]" 1
696 1 32 LYS HA 1 32 LYS HE3 . . 5.220 3.377 1.876 4.629 . 0 0 "[ . 1 . 2]" 1
697 1 32 LYS HA 1 33 GLU H . . 2.940 2.168 2.081 2.267 . 0 0 "[ . 1 . 2]" 1
698 1 32 LYS HA 1 33 GLU HA . . 5.400 4.428 4.267 4.528 . 0 0 "[ . 1 . 2]" 1
699 1 32 LYS HB3 1 33 GLU H . . 4.660 4.091 3.431 4.551 . 0 0 "[ . 1 . 2]" 1
700 1 32 LYS HB3 1 33 GLU HA . . 5.450 4.612 3.949 5.240 . 0 0 "[ . 1 . 2]" 1
701 1 32 LYS HD3 1 50 ASP HB3 . . 5.500 3.595 2.126 5.601 0.101 16 0 "[ . 1 . 2]" 1
702 1 32 LYS HE3 1 33 GLU H . . 5.500 4.151 1.845 5.545 0.045 2 0 "[ . 1 . 2]" 1
703 1 33 GLU H 1 34 GLN H . . 4.920 4.345 4.240 4.451 . 0 0 "[ . 1 . 2]" 1
704 1 33 GLU HA 1 34 GLN H . . 2.880 2.375 2.194 2.533 . 0 0 "[ . 1 . 2]" 1
705 1 34 GLN H 1 35 THR H . . 4.640 4.381 4.239 4.473 . 0 0 "[ . 1 . 2]" 1
706 1 34 GLN HA 1 34 GLN HE21 . . 5.500 4.666 3.234 5.079 . 0 0 "[ . 1 . 2]" 1
707 1 34 GLN HA 1 34 GLN HE22 . . 5.500 5.279 3.577 5.580 0.080 8 0 "[ . 1 . 2]" 1
708 1 34 GLN HA 1 35 THR H . . 2.880 2.633 2.307 2.925 0.045 19 0 "[ . 1 . 2]" 1
709 1 34 GLN HA 1 35 THR HA . . 4.560 4.510 4.385 4.609 0.049 19 0 "[ . 1 . 2]" 1
710 1 34 GLN HA 1 35 THR MG . . 4.400 3.438 3.072 3.946 . 0 0 "[ . 1 . 2]" 1
711 1 34 GLN HE21 1 35 THR H . . 5.130 3.648 2.622 4.296 . 0 0 "[ . 1 . 2]" 1
712 1 34 GLN HE21 1 35 THR HA . . 5.500 4.017 2.907 5.155 . 0 0 "[ . 1 . 2]" 1
713 1 34 GLN HE21 1 35 THR MG . . 5.500 5.175 4.900 5.613 0.113 12 0 "[ . 1 . 2]" 1
714 1 34 GLN HE21 1 36 VAL QG . . 5.400 3.272 2.313 4.754 . 0 0 "[ . 1 . 2]" 1
715 1 34 GLN HE21 1 47 PHE HB3 . . 5.500 5.327 4.608 5.576 0.076 11 0 "[ . 1 . 2]" 1
716 1 34 GLN HE21 1 47 PHE QE . . 4.860 3.850 3.139 5.065 0.205 9 0 "[ . 1 . 2]" 1
717 1 34 GLN HE22 1 35 THR H . . 4.880 3.603 2.904 4.178 . 0 0 "[ . 1 . 2]" 1
718 1 34 GLN HE22 1 35 THR MG . . 5.050 5.228 4.605 5.597 0.547 14 3 "[ . * 1 +. -]" 1
719 1 34 GLN HE22 1 36 VAL QG . . 4.820 2.711 1.828 4.824 0.004 18 0 "[ . 1 . 2]" 1
720 1 34 GLN HE22 1 47 PHE HB3 . . 5.500 4.975 4.427 5.564 0.064 2 0 "[ . 1 . 2]" 1
721 1 34 GLN HE22 1 47 PHE QE . . 5.320 4.280 3.280 5.416 0.096 18 0 "[ . 1 . 2]" 1
722 1 34 GLN HG3 1 47 PHE QD . . 3.910 3.816 2.485 4.598 0.688 7 2 "[ . + - . 2]" 1
723 1 34 GLN HG3 1 47 PHE QE . . 4.810 3.074 2.272 4.028 . 0 0 "[ . 1 . 2]" 1
724 1 35 THR H 1 35 THR MG . . 3.810 2.785 2.311 3.253 . 0 0 "[ . 1 . 2]" 1
725 1 35 THR H 1 36 VAL H . . 4.610 4.407 4.275 4.518 . 0 0 "[ . 1 . 2]" 1
726 1 35 THR HA 1 35 THR MG . . 3.250 2.627 2.282 3.246 . 0 0 "[ . 1 . 2]" 1
727 1 35 THR HA 1 36 VAL H . . 2.950 2.295 2.141 2.489 . 0 0 "[ . 1 . 2]" 1
728 1 35 THR HA 1 36 VAL QG . . 4.360 3.435 3.051 3.803 . 0 0 "[ . 1 . 2]" 1
729 1 35 THR HB 1 36 VAL H . . 3.720 3.111 2.363 3.799 0.079 18 0 "[ . 1 . 2]" 1
730 1 35 THR MG 1 36 VAL H . . 4.020 3.899 3.637 4.099 0.079 17 0 "[ . 1 . 2]" 1
731 1 36 VAL H 1 36 VAL HB . . 3.440 2.657 2.215 3.538 0.098 18 0 "[ . 1 . 2]" 1
732 1 36 VAL H 1 36 VAL QG . . 3.510 2.406 1.883 2.746 . 0 0 "[ . 1 . 2]" 1
733 1 36 VAL HA 1 36 VAL QG . . 3.140 2.211 2.087 2.467 . 0 0 "[ . 1 . 2]" 1
734 1 36 VAL HA 1 37 ASN H . . 2.980 2.301 2.050 2.516 . 0 0 "[ . 1 . 2]" 1
735 1 36 VAL HA 1 45 ILE MD . . 5.390 3.958 3.188 5.465 0.075 1 0 "[ . 1 . 2]" 1
736 1 36 VAL HB 1 38 THR H . . 5.490 4.803 3.652 5.448 . 0 0 "[ . 1 . 2]" 1
737 1 36 VAL QG 1 37 ASN H . . 3.580 2.538 2.056 3.150 . 0 0 "[ . 1 . 2]" 1
738 1 36 VAL QG 1 37 ASN HD21 . . 5.500 5.037 4.496 5.481 . 0 0 "[ . 1 . 2]" 1
739 1 36 VAL QG 1 38 THR H . . 3.390 2.885 2.305 3.436 0.046 18 0 "[ . 1 . 2]" 1
740 1 36 VAL QG 1 45 ILE MD . . 3.150 2.471 2.044 3.213 0.063 1 0 "[ . 1 . 2]" 1
741 1 36 VAL QG 1 47 PHE QD . . 3.530 3.346 2.704 3.565 0.035 12 0 "[ . 1 . 2]" 1
742 1 36 VAL QG 1 47 PHE QE . . 3.910 2.536 2.105 2.987 . 0 0 "[ . 1 . 2]" 1
743 1 37 ASN H 1 37 ASN HD21 . . 5.090 4.559 3.812 4.896 . 0 0 "[ . 1 . 2]" 1
744 1 37 ASN H 1 38 THR H . . 3.490 3.190 3.026 3.391 . 0 0 "[ . 1 . 2]" 1
745 1 37 ASN HD21 1 38 THR MG . . 5.500 4.832 4.174 5.569 0.069 13 0 "[ . 1 . 2]" 1
746 1 37 ASN HD22 1 38 THR HB . . 5.500 3.467 2.606 4.836 . 0 0 "[ . 1 . 2]" 1
747 1 37 ASN HD22 1 38 THR MG . . 5.500 4.655 4.000 5.344 . 0 0 "[ . 1 . 2]" 1
748 1 38 THR H 1 38 THR HB . . 3.640 2.851 2.668 3.024 . 0 0 "[ . 1 . 2]" 1
749 1 38 THR H 1 38 THR MG . . 4.190 3.961 3.822 4.087 . 0 0 "[ . 1 . 2]" 1
750 1 38 THR H 1 39 LEU H . . 4.280 4.293 4.145 4.348 0.068 14 0 "[ . 1 . 2]" 1
751 1 38 THR H 1 39 LEU HA . . 5.000 4.696 4.519 4.883 . 0 0 "[ . 1 . 2]" 1
752 1 38 THR HA 1 38 THR MG . . 3.500 2.495 2.380 2.588 . 0 0 "[ . 1 . 2]" 1
753 1 38 THR HA 1 39 LEU H . . 2.880 2.329 2.129 2.412 . 0 0 "[ . 1 . 2]" 1
754 1 38 THR HB 1 39 LEU H . . 4.170 3.837 3.418 4.131 . 0 0 "[ . 1 . 2]" 1
755 1 38 THR MG 1 39 LEU H . . 3.660 2.253 2.075 2.773 . 0 0 "[ . 1 . 2]" 1
756 1 38 THR MG 1 40 GLY H . . 4.530 3.827 3.018 4.243 . 0 0 "[ . 1 . 2]" 1
757 1 39 LEU H 1 39 LEU HB3 . . 3.590 3.180 2.920 3.337 . 0 0 "[ . 1 . 2]" 1
758 1 39 LEU H 1 39 LEU QD . . 4.480 3.793 3.717 3.936 . 0 0 "[ . 1 . 2]" 1
759 1 39 LEU H 1 40 GLY H . . 4.530 3.930 3.761 4.274 . 0 0 "[ . 1 . 2]" 1
760 1 39 LEU HA 1 39 LEU QD . . 3.050 2.009 1.911 2.112 . 0 0 "[ . 1 . 2]" 1
761 1 39 LEU HA 1 40 GLY H . . 2.990 2.073 1.958 2.174 . 0 0 "[ . 1 . 2]" 1
762 1 39 LEU HA 1 40 GLY HA2 . . 4.850 4.425 4.318 4.471 . 0 0 "[ . 1 . 2]" 1
763 1 39 LEU HA 1 40 GLY HA3 . . 4.410 4.297 4.207 4.366 . 0 0 "[ . 1 . 2]" 1
764 1 39 LEU HA 1 43 ASP HB3 . . 4.660 3.072 2.323 4.484 . 0 0 "[ . 1 . 2]" 1
765 1 39 LEU HB3 1 39 LEU QD . . 3.090 2.305 2.141 2.461 . 0 0 "[ . 1 . 2]" 1
766 1 39 LEU HB3 1 40 GLY H . . 5.370 4.023 3.711 4.258 . 0 0 "[ . 1 . 2]" 1
767 1 39 LEU QD 1 40 GLY H . . 3.450 3.026 2.068 3.445 . 0 0 "[ . 1 . 2]" 1
768 1 39 LEU QD 1 40 GLY HA3 . . 5.290 4.628 3.351 5.162 . 0 0 "[ . 1 . 2]" 1
769 1 39 LEU QD 1 43 ASP HA . . 4.930 4.000 3.367 4.344 . 0 0 "[ . 1 . 2]" 1
770 1 39 LEU QD 1 43 ASP HB3 . . 3.870 2.227 1.885 2.646 . 0 0 "[ . 1 . 2]" 1
771 1 39 LEU QD 1 44 SER H . . 4.540 2.853 2.574 3.114 . 0 0 "[ . 1 . 2]" 1
772 1 39 LEU QD 1 44 SER HA . . 3.890 2.256 1.950 3.016 . 0 0 "[ . 1 . 2]" 1
773 1 39 LEU QD 1 45 ILE H . . 4.220 2.957 2.544 3.946 . 0 0 "[ . 1 . 2]" 1
774 1 39 LEU QD 1 45 ILE HB . . 3.750 2.598 2.128 3.077 . 0 0 "[ . 1 . 2]" 1
775 1 39 LEU QD 1 45 ILE MG . . 3.160 1.980 1.819 2.122 . 0 0 "[ . 1 . 2]" 1
776 1 39 LEU HG 1 40 GLY H . . 4.890 4.154 3.538 4.981 0.091 12 0 "[ . 1 . 2]" 1
777 1 39 LEU HG 1 43 ASP HB3 . . 4.780 2.969 2.020 4.986 0.206 3 0 "[ . 1 . 2]" 1
778 1 39 LEU HG 1 44 SER HA . . 5.500 3.507 3.052 3.995 . 0 0 "[ . 1 . 2]" 1
779 1 40 GLY H 1 43 ASP H . . 5.300 4.314 4.011 4.948 . 0 0 "[ . 1 . 2]" 1
780 1 40 GLY H 1 43 ASP HB3 . . 4.020 2.732 2.319 3.305 . 0 0 "[ . 1 . 2]" 1
781 1 40 GLY H 1 44 SER H . . 5.500 5.026 4.792 5.262 . 0 0 "[ . 1 . 2]" 1
782 1 40 GLY HA2 1 41 SER H . . 3.240 2.610 2.307 3.024 . 0 0 "[ . 1 . 2]" 1
783 1 40 GLY HA2 1 41 SER HA . . 4.910 4.392 4.273 4.509 . 0 0 "[ . 1 . 2]" 1
784 1 40 GLY HA3 1 41 SER H . . 3.240 2.608 2.262 2.818 . 0 0 "[ . 1 . 2]" 1
785 1 40 GLY HA3 1 43 ASP HB3 . . 4.430 4.006 3.213 4.497 0.067 5 0 "[ . 1 . 2]" 1
786 1 41 SER H 1 43 ASP HB3 . . 4.720 5.683 4.599 6.212 1.492 5 19 "[****+***-****** ****]" 1
787 1 41 SER HA 1 42 HIS H . . 2.890 2.193 2.140 2.253 . 0 0 "[ . 1 . 2]" 1
788 1 41 SER HA 1 42 HIS HD2 . . 4.940 4.382 3.694 5.009 0.069 16 0 "[ . 1 . 2]" 1
789 1 42 HIS H 1 42 HIS HD2 . . 3.640 3.024 2.502 3.599 . 0 0 "[ . 1 . 2]" 1
790 1 42 HIS H 1 43 ASP HA . . 5.500 5.359 5.242 5.443 . 0 0 "[ . 1 . 2]" 1
791 1 42 HIS HA 1 42 HIS HD2 . . 3.450 3.173 2.352 3.515 0.065 2 0 "[ . 1 . 2]" 1
792 1 43 ASP H 1 43 ASP HB3 . . 3.360 3.095 2.607 3.663 0.303 3 0 "[ . 1 . 2]" 1
793 1 43 ASP H 1 44 SER H . . 4.540 4.467 4.382 4.586 0.046 12 0 "[ . 1 . 2]" 1
794 1 43 ASP HA 1 44 SER H . . 2.850 2.464 2.311 2.581 . 0 0 "[ . 1 . 2]" 1
795 1 43 ASP HA 1 44 SER HA . . 5.280 4.526 4.445 4.584 . 0 0 "[ . 1 . 2]" 1
796 1 43 ASP HB3 1 44 SER H . . 3.520 2.574 2.105 3.147 . 0 0 "[ . 1 . 2]" 1
797 1 43 ASP HB3 1 44 SER HA . . 5.500 4.061 3.793 4.358 . 0 0 "[ . 1 . 2]" 1
798 1 44 SER H 1 45 ILE H . . 4.990 4.408 4.315 4.503 . 0 0 "[ . 1 . 2]" 1
799 1 44 SER HA 1 45 ILE H . . 3.080 2.363 2.220 2.523 . 0 0 "[ . 1 . 2]" 1
800 1 44 SER HA 1 45 ILE HA . . 5.330 4.547 4.490 4.617 . 0 0 "[ . 1 . 2]" 1
801 1 44 SER HA 1 45 ILE MG . . 4.670 3.461 3.052 3.944 . 0 0 "[ . 1 . 2]" 1
802 1 44 SER HB3 1 45 ILE H . . 3.850 3.700 3.559 3.782 . 0 0 "[ . 1 . 2]" 1
803 1 44 SER HB3 1 45 ILE HA . . 5.260 5.665 5.394 5.907 0.647 5 5 "[ +* 1 - *. * 2]" 1
804 1 45 ILE H 1 45 ILE HB . . 4.180 3.425 3.336 3.581 . 0 0 "[ . 1 . 2]" 1
805 1 45 ILE H 1 45 ILE MD . . 5.500 4.892 4.572 5.027 . 0 0 "[ . 1 . 2]" 1
806 1 45 ILE H 1 45 ILE MG . . 3.480 2.449 2.194 2.700 . 0 0 "[ . 1 . 2]" 1
807 1 45 ILE H 1 46 ASP H . . 4.670 4.233 4.037 4.357 . 0 0 "[ . 1 . 2]" 1
808 1 45 ILE HA 1 45 ILE MD . . 3.750 3.615 2.352 3.846 0.096 7 0 "[ . 1 . 2]" 1
809 1 45 ILE HA 1 46 ASP H . . 2.820 2.257 2.120 2.413 . 0 0 "[ . 1 . 2]" 1
810 1 45 ILE HA 1 46 ASP HA . . 5.500 4.464 4.392 4.558 . 0 0 "[ . 1 . 2]" 1
811 1 45 ILE HB 1 45 ILE MD . . 3.330 2.354 2.172 2.485 . 0 0 "[ . 1 . 2]" 1
812 1 45 ILE HB 1 46 ASP H . . 3.940 4.010 3.990 4.026 0.086 7 0 "[ . 1 . 2]" 1
813 1 45 ILE MD 1 46 ASP H . . 3.900 3.805 2.135 4.006 0.106 14 0 "[ . 1 . 2]" 1
814 1 45 ILE MD 1 46 ASP HA . . 5.500 5.289 4.383 5.567 0.067 17 0 "[ . 1 . 2]" 1
815 1 45 ILE MD 1 47 PHE QD . . 4.520 3.298 2.429 3.744 . 0 0 "[ . 1 . 2]" 1
816 1 45 ILE MD 1 47 PHE QE . . 4.760 4.240 3.056 4.867 0.107 1 0 "[ . 1 . 2]" 1
817 1 45 ILE HG13 1 46 ASP H . . 3.950 2.531 2.292 2.855 . 0 0 "[ . 1 . 2]" 1
818 1 45 ILE HG13 1 47 PHE QD . . 3.870 3.997 2.145 4.858 0.988 5 5 "[ * + 1 - ** 2]" 1
819 1 45 ILE MG 1 46 ASP H . . 4.220 3.800 3.391 3.988 . 0 0 "[ . 1 . 2]" 1
820 1 45 ILE MG 1 47 PHE HB3 . . 5.500 4.795 4.272 5.301 . 0 0 "[ . 1 . 2]" 1
821 1 45 ILE MG 1 47 PHE QD . . 3.210 2.799 2.345 3.232 0.022 1 0 "[ . 1 . 2]" 1
822 1 45 ILE MG 1 47 PHE QE . . 3.240 2.472 2.204 3.105 . 0 0 "[ . 1 . 2]" 1
823 1 46 ASP H 1 46 ASP HB3 . . 3.940 3.284 2.526 3.899 . 0 0 "[ . 1 . 2]" 1
824 1 46 ASP H 1 47 PHE H . . 5.500 4.283 4.015 4.404 . 0 0 "[ . 1 . 2]" 1
825 1 46 ASP H 1 47 PHE QD . . 5.500 4.027 3.541 4.598 . 0 0 "[ . 1 . 2]" 1
826 1 46 ASP HA 1 47 PHE H . . 3.080 2.164 1.969 2.266 . 0 0 "[ . 1 . 2]" 1
827 1 46 ASP HA 1 47 PHE QD . . 4.540 3.543 2.991 4.356 . 0 0 "[ . 1 . 2]" 1
828 1 46 ASP HB3 1 47 PHE H . . 4.150 3.828 3.254 4.173 0.023 2 0 "[ . 1 . 2]" 1
829 1 47 PHE H 1 47 PHE HB3 . . 3.760 3.590 3.497 3.719 . 0 0 "[ . 1 . 2]" 1
830 1 47 PHE H 1 47 PHE QD . . 3.380 3.166 3.004 3.360 . 0 0 "[ . 1 . 2]" 1
831 1 47 PHE H 1 47 PHE QE . . 5.500 4.334 4.126 4.522 . 0 0 "[ . 1 . 2]" 1
832 1 47 PHE HA 1 47 PHE QD . . 3.630 3.702 3.660 3.720 0.090 4 0 "[ . 1 . 2]" 1
833 1 47 PHE HA 1 48 SER H . . 3.120 2.262 2.072 2.414 . 0 0 "[ . 1 . 2]" 1
834 1 47 PHE HB3 1 48 SER H . . 3.790 3.730 3.489 3.860 0.070 8 0 "[ . 1 . 2]" 1
835 1 47 PHE QD 1 48 SER H . . 4.510 4.114 3.546 4.562 0.052 11 0 "[ . 1 . 2]" 1
836 1 48 SER H 1 48 SER HB3 . . 3.320 2.721 2.013 3.398 0.078 15 0 "[ . 1 . 2]" 1
837 1 48 SER HA 1 49 SER H . . 3.290 2.317 2.044 2.676 . 0 0 "[ . 1 . 2]" 1
838 1 48 SER HB3 1 49 SER H . . 4.070 3.613 2.490 4.269 0.199 6 0 "[ . 1 . 2]" 1
839 1 49 SER H 1 49 SER HB3 . . 4.030 3.251 2.140 3.807 . 0 0 "[ . 1 . 2]" 1
840 1 49 SER HA 1 51 ALA MB . . 5.500 4.963 4.423 5.584 0.084 1 0 "[ . 1 . 2]" 1
841 1 49 SER HB3 1 54 VAL QG . . 4.440 4.032 2.995 4.388 . 0 0 "[ . 1 . 2]" 1
842 1 50 ASP H 1 51 ALA H . . 3.870 3.190 2.395 3.753 . 0 0 "[ . 1 . 2]" 1
843 1 50 ASP H 1 51 ALA MB . . 5.500 3.808 2.737 4.663 . 0 0 "[ . 1 . 2]" 1
844 1 50 ASP HB3 1 51 ALA H . . 4.580 4.273 3.279 4.584 0.004 16 0 "[ . 1 . 2]" 1
845 1 50 ASP HB3 1 51 ALA MB . . 4.070 4.289 3.809 5.132 1.062 16 3 "[ . - *+ 2]" 1
846 1 51 ALA H 1 51 ALA MB . . 3.460 2.645 2.255 2.817 . 0 0 "[ . 1 . 2]" 1
847 1 51 ALA H 1 52 GLY H . . 4.490 3.788 1.788 4.552 0.062 5 0 "[ . 1 . 2]" 1
848 1 51 ALA H 1 53 SER H . . 5.500 5.056 4.094 5.552 0.052 2 0 "[ . 1 . 2]" 1
849 1 51 ALA HA 1 52 GLY H . . 3.480 2.474 2.106 3.533 0.053 20 0 "[ . 1 . 2]" 1
850 1 51 ALA MB 1 52 GLY H . . 3.690 2.973 2.448 3.649 . 0 0 "[ . 1 . 2]" 1
851 1 51 ALA MB 1 52 GLY HA2 . . 5.500 4.532 4.259 5.104 . 0 0 "[ . 1 . 2]" 1
852 1 51 ALA MB 1 52 GLY HA3 . . 5.030 4.524 4.148 4.783 . 0 0 "[ . 1 . 2]" 1
853 1 51 ALA MB 1 53 SER H . . 3.230 2.822 2.404 3.306 0.076 10 0 "[ . 1 . 2]" 1
854 1 51 ALA MB 1 54 VAL HA . . 5.020 4.311 3.751 4.666 . 0 0 "[ . 1 . 2]" 1
855 1 51 ALA MB 1 54 VAL QG . . 4.000 3.117 2.045 3.882 . 0 0 "[ . 1 . 2]" 1
856 1 52 GLY H 1 53 SER H . . 3.810 2.799 2.259 3.642 . 0 0 "[ . 1 . 2]" 1
857 1 53 SER H 1 53 SER HB3 . . 4.120 3.593 2.843 3.955 . 0 0 "[ . 1 . 2]" 1
858 1 53 SER H 1 54 VAL H . . 5.160 4.342 4.238 4.445 . 0 0 "[ . 1 . 2]" 1
859 1 53 SER H 1 54 VAL QG . . 5.500 4.065 3.454 4.794 . 0 0 "[ . 1 . 2]" 1
860 1 53 SER HA 1 54 VAL H . . 2.810 2.415 2.215 2.749 . 0 0 "[ . 1 . 2]" 1
861 1 53 SER HA 1 54 VAL HB . . 4.960 4.539 4.237 4.993 0.033 5 0 "[ . 1 . 2]" 1
862 1 53 SER HA 1 54 VAL QG . . 4.540 3.399 3.028 3.845 . 0 0 "[ . 1 . 2]" 1
863 1 53 SER HB3 1 54 VAL H . . 3.730 3.561 2.684 3.813 0.083 19 0 "[ . 1 . 2]" 1
864 1 53 SER HB3 1 54 VAL QG . . 5.500 4.998 4.532 5.342 . 0 0 "[ . 1 . 2]" 1
865 1 54 VAL H 1 54 VAL HB . . 3.430 3.118 2.549 3.522 0.092 6 0 "[ . 1 . 2]" 1
866 1 54 VAL H 1 54 VAL QG . . 3.430 2.776 2.402 3.185 . 0 0 "[ . 1 . 2]" 1
867 1 54 VAL HA 1 55 TYR H . . 3.300 2.228 2.082 2.375 . 0 0 "[ . 1 . 2]" 1
868 1 54 VAL HA 1 55 TYR QD . . 4.810 4.190 3.615 4.507 . 0 0 "[ . 1 . 2]" 1
869 1 54 VAL HA 1 55 TYR QE . . 5.110 4.810 4.325 5.196 0.086 17 0 "[ . 1 . 2]" 1
870 1 54 VAL HA 1 56 LYS H . . 4.320 3.741 3.183 4.093 . 0 0 "[ . 1 . 2]" 1
871 1 54 VAL HB 1 55 TYR H . . 5.500 3.979 3.705 4.539 . 0 0 "[ . 1 . 2]" 1
872 1 54 VAL QG 1 55 TYR H . . 3.600 2.418 2.061 3.330 . 0 0 "[ . 1 . 2]" 1
873 1 54 VAL QG 1 56 LYS H . . 3.850 2.068 1.764 2.581 . 0 0 "[ . 1 . 2]" 1
874 1 54 VAL QG 1 56 LYS HA . . 4.220 4.077 3.686 4.246 0.026 18 0 "[ . 1 . 2]" 1
875 1 54 VAL QG 1 57 MET HA . . 5.500 3.941 3.603 4.264 . 0 0 "[ . 1 . 2]" 1
876 1 54 VAL QG 1 57 MET ME . . 3.670 2.958 2.195 3.531 . 0 0 "[ . 1 . 2]" 1
877 1 54 VAL QG 1 76 LEU H . . 5.500 5.001 4.608 5.410 . 0 0 "[ . 1 . 2]" 1
878 1 55 TYR H 1 55 TYR QD . . 3.350 2.798 1.859 3.096 . 0 0 "[ . 1 . 2]" 1
879 1 55 TYR H 1 55 TYR QE . . 4.390 4.060 3.780 4.252 . 0 0 "[ . 1 . 2]" 1
880 1 55 TYR H 1 56 LYS H . . 3.530 2.089 1.784 2.584 . 0 0 "[ . 1 . 2]" 1
881 1 55 TYR HA 1 55 TYR QD . . 3.750 3.704 3.624 3.758 0.008 12 0 "[ . 1 . 2]" 1
882 1 55 TYR HA 1 75 GLY H . . 5.500 4.953 4.558 5.582 0.082 1 0 "[ . 1 . 2]" 1
883 1 55 TYR HA 1 75 GLY QA . . 5.500 4.651 3.733 5.438 . 0 0 "[ . 1 . 2]" 1
884 1 55 TYR HA 1 76 LEU H . . 3.940 2.820 2.394 3.513 . 0 0 "[ . 1 . 2]" 1
885 1 55 TYR HA 1 76 LEU HB3 . . 3.710 3.545 3.283 3.739 0.029 20 0 "[ . 1 . 2]" 1
886 1 55 TYR HA 1 76 LEU QD . . 4.750 3.597 3.220 3.858 . 0 0 "[ . 1 . 2]" 1
887 1 55 TYR HA 1 76 LEU HG . . 5.500 4.002 3.722 4.364 . 0 0 "[ . 1 . 2]" 1
888 1 55 TYR HB3 1 56 LYS H . . 5.330 4.654 4.478 4.747 . 0 0 "[ . 1 . 2]" 1
889 1 55 TYR HB3 1 76 LEU H . . 5.500 4.080 3.664 4.554 . 0 0 "[ . 1 . 2]" 1
890 1 55 TYR QD 1 56 LYS H . . 3.500 3.206 2.426 3.570 0.070 4 0 "[ . 1 . 2]" 1
891 1 55 TYR QD 1 56 LYS HB3 . . 3.680 2.727 2.220 3.371 . 0 0 "[ . 1 . 2]" 1
892 1 55 TYR QD 1 56 LYS HD3 . . 5.360 3.879 3.108 4.842 . 0 0 "[ . 1 . 2]" 1
893 1 55 TYR QD 1 56 LYS HG3 . . 3.660 4.079 2.481 4.620 0.960 12 13 "[*-**.*** 1*+*** *]" 1
894 1 55 TYR QD 1 76 LEU H . . 4.640 4.703 4.572 4.738 0.098 5 0 "[ . 1 . 2]" 1
895 1 55 TYR QE 1 56 LYS H . . 5.500 4.840 4.330 5.253 . 0 0 "[ . 1 . 2]" 1
896 1 55 TYR QE 1 56 LYS HD3 . . 3.190 3.084 2.317 4.461 1.271 18 2 "[ . 1 . +-2]" 1
897 1 55 TYR QE 1 56 LYS HG3 . . 3.490 4.482 2.650 5.061 1.571 8 17 "[****.**+-******** *]" 1
898 1 56 LYS H 1 56 LYS HG3 . . 4.550 3.323 2.341 3.825 . 0 0 "[ . 1 . 2]" 1
899 1 56 LYS H 1 57 MET H . . 5.200 4.357 4.253 4.434 . 0 0 "[ . 1 . 2]" 1
900 1 56 LYS H 1 76 LEU QD . . 5.010 3.128 2.743 3.966 . 0 0 "[ . 1 . 2]" 1
901 1 56 LYS HA 1 57 MET H . . 3.230 2.377 2.225 2.495 . 0 0 "[ . 1 . 2]" 1
902 1 56 LYS HA 1 57 MET HA . . 5.470 4.517 4.445 4.590 . 0 0 "[ . 1 . 2]" 1
903 1 56 LYS HA 1 73 PHE H . . 5.350 4.920 4.528 5.305 . 0 0 "[ . 1 . 2]" 1
904 1 56 LYS HA 1 73 PHE HB3 . . 4.880 4.593 4.173 4.863 . 0 0 "[ . 1 . 2]" 1
905 1 56 LYS HA 1 74 LYS HA . . 3.470 2.369 2.093 2.992 . 0 0 "[ . 1 . 2]" 1
906 1 56 LYS HA 1 75 GLY QA . . 5.290 5.241 4.813 5.394 0.104 3 0 "[ . 1 . 2]" 1
907 1 56 LYS HA 1 76 LEU QD . . 4.000 2.565 2.024 3.018 . 0 0 "[ . 1 . 2]" 1
908 1 56 LYS HB3 1 56 LYS HD3 . . 4.190 3.535 2.725 3.926 . 0 0 "[ . 1 . 2]" 1
909 1 56 LYS HB3 1 57 MET H . . 3.930 3.934 3.738 4.001 0.071 2 0 "[ . 1 . 2]" 1
910 1 56 LYS HB3 1 74 LYS HA . . 4.030 2.911 2.387 3.521 . 0 0 "[ . 1 . 2]" 1
911 1 56 LYS HB3 1 74 LYS HG3 . . 3.810 3.749 2.396 5.305 1.495 7 4 "[ . + 1* *. - 2]" 1
912 1 56 LYS HB3 1 76 LEU QD . . 5.460 4.374 3.751 4.737 . 0 0 "[ . 1 . 2]" 1
913 1 57 MET H 1 57 MET HB3 . . 4.120 2.918 2.771 3.024 . 0 0 "[ . 1 . 2]" 1
914 1 57 MET H 1 58 ASP H . . 5.500 4.094 3.689 4.324 . 0 0 "[ . 1 . 2]" 1
915 1 57 MET H 1 73 PHE H . . 4.240 3.013 2.756 3.305 . 0 0 "[ . 1 . 2]" 1
916 1 57 MET H 1 73 PHE HA . . 5.500 4.655 4.536 4.778 . 0 0 "[ . 1 . 2]" 1
917 1 57 MET H 1 73 PHE HB3 . . 4.140 4.123 3.938 4.206 0.066 20 0 "[ . 1 . 2]" 1
918 1 57 MET H 1 73 PHE QD . . 4.720 4.226 4.000 4.525 . 0 0 "[ . 1 . 2]" 1
919 1 57 MET H 1 76 LEU QD . . 4.030 3.026 2.617 3.519 . 0 0 "[ . 1 . 2]" 1
920 1 57 MET H 1 97 ILE MD . . 5.500 5.430 5.089 5.593 0.093 16 0 "[ . 1 . 2]" 1
921 1 57 MET HA 1 57 MET ME . . 4.090 3.386 2.782 3.733 . 0 0 "[ . 1 . 2]" 1
922 1 57 MET HA 1 58 ASP H . . 3.360 2.186 2.090 2.350 . 0 0 "[ . 1 . 2]" 1
923 1 57 MET HA 1 59 VAL H . . 5.500 5.407 4.862 5.596 0.096 5 0 "[ . 1 . 2]" 1
924 1 57 MET HA 1 76 LEU QD . . 5.500 3.996 3.732 4.661 . 0 0 "[ . 1 . 2]" 1
925 1 57 MET HB3 1 57 MET ME . . 4.530 3.627 3.377 4.022 . 0 0 "[ . 1 . 2]" 1
926 1 57 MET HB3 1 58 ASP H . . 5.500 4.243 4.023 4.497 . 0 0 "[ . 1 . 2]" 1
927 1 57 MET HB3 1 73 PHE H . . 5.500 3.982 3.636 4.352 . 0 0 "[ . 1 . 2]" 1
928 1 57 MET HB3 1 73 PHE HB3 . . 5.070 3.920 3.683 4.162 . 0 0 "[ . 1 . 2]" 1
929 1 57 MET HB3 1 73 PHE QD . . 3.930 2.663 2.231 3.494 . 0 0 "[ . 1 . 2]" 1
930 1 57 MET HB3 1 76 LEU QD . . 4.740 2.456 2.180 3.022 . 0 0 "[ . 1 . 2]" 1
931 1 57 MET HB3 1 97 ILE MD . . 5.490 3.968 3.407 4.285 . 0 0 "[ . 1 . 2]" 1
932 1 57 MET ME 1 57 MET HG3 . . 3.820 2.528 2.226 3.361 . 0 0 "[ . 1 . 2]" 1
933 1 57 MET ME 1 58 ASP H . . 5.500 4.348 3.696 4.897 . 0 0 "[ . 1 . 2]" 1
934 1 57 MET ME 1 59 VAL QG . . 5.260 3.976 3.533 4.608 . 0 0 "[ . 1 . 2]" 1
935 1 57 MET ME 1 81 THR HA . . 5.050 4.717 4.328 5.124 0.074 12 0 "[ . 1 . 2]" 1
936 1 57 MET ME 1 81 THR HB . . 5.500 2.463 2.032 3.615 . 0 0 "[ . 1 . 2]" 1
937 1 57 MET ME 1 81 THR MG . . 3.880 2.339 1.927 3.170 . 0 0 "[ . 1 . 2]" 1
938 1 57 MET ME 1 83 VAL QG . . 3.330 3.146 2.563 3.420 0.090 13 0 "[ . 1 . 2]" 1
939 1 57 MET ME 1 97 ILE MG . . 5.500 4.776 3.890 5.282 . 0 0 "[ . 1 . 2]" 1
940 1 57 MET HG3 1 58 ASP H . . 4.620 2.797 2.189 3.410 . 0 0 "[ . 1 . 2]" 1
941 1 57 MET HG3 1 58 ASP HA . . 5.500 4.546 3.794 4.990 . 0 0 "[ . 1 . 2]" 1
942 1 57 MET HG3 1 59 VAL H . . 5.500 4.367 3.368 5.097 . 0 0 "[ . 1 . 2]" 1
943 1 57 MET HG3 1 59 VAL QG . . 3.760 3.040 2.066 3.868 0.108 13 0 "[ . 1 . 2]" 1
944 1 57 MET HG3 1 73 PHE H . . 5.500 5.517 4.702 5.970 0.470 12 0 "[ . 1 . 2]" 1
945 1 57 MET HG3 1 73 PHE QD . . 4.490 4.174 3.027 5.110 0.620 13 1 "[ . 1 + . 2]" 1
946 1 57 MET HG3 1 97 ILE MD . . 5.500 6.048 5.270 6.643 1.143 17 13 "[- **** ***** * +* 2]" 1
947 1 58 ASP H 1 59 VAL H . . 5.180 3.885 3.271 4.272 . 0 0 "[ . 1 . 2]" 1
948 1 58 ASP H 1 73 PHE QD . . 5.500 5.091 4.641 5.496 . 0 0 "[ . 1 . 2]" 1
949 1 58 ASP HA 1 59 VAL H . . 3.110 2.137 1.963 2.263 . 0 0 "[ . 1 . 2]" 1
950 1 58 ASP HA 1 59 VAL HB . . 5.500 5.010 4.629 5.585 0.085 12 0 "[ . 1 . 2]" 1
951 1 58 ASP HA 1 59 VAL QG . . 4.920 3.622 3.320 3.896 . 0 0 "[ . 1 . 2]" 1
952 1 58 ASP HA 1 71 GLY H . . 5.190 4.255 3.883 4.704 . 0 0 "[ . 1 . 2]" 1
953 1 58 ASP HA 1 72 HIS H . . 5.500 3.524 2.085 4.985 . 0 0 "[ . 1 . 2]" 1
954 1 58 ASP HA 1 72 HIS HA . . 3.620 2.409 1.907 2.864 . 0 0 "[ . 1 . 2]" 1
955 1 58 ASP HA 1 73 PHE H . . 4.030 3.313 3.011 3.739 . 0 0 "[ . 1 . 2]" 1
956 1 58 ASP HA 1 73 PHE QD . . 4.730 4.244 3.468 4.718 . 0 0 "[ . 1 . 2]" 1
957 1 59 VAL H 1 59 VAL HB . . 3.700 2.978 2.564 3.780 0.080 5 0 "[ . 1 . 2]" 1
958 1 59 VAL H 1 59 VAL QG . . 4.220 2.196 1.968 2.504 . 0 0 "[ . 1 . 2]" 1
959 1 59 VAL H 1 60 THR H . . 5.030 4.597 4.468 4.768 . 0 0 "[ . 1 . 2]" 1
960 1 59 VAL H 1 60 THR HB . . 5.500 5.360 4.769 5.577 0.077 10 0 "[ . 1 . 2]" 1
961 1 59 VAL H 1 71 GLY QA . . 5.350 3.152 2.358 3.673 . 0 0 "[ . 1 . 2]" 1
962 1 59 VAL H 1 72 HIS H . . 5.500 3.418 1.985 5.057 . 0 0 "[ . 1 . 2]" 1
963 1 59 VAL H 1 72 HIS HA . . 4.150 3.727 3.178 4.221 0.071 5 0 "[ . 1 . 2]" 1
964 1 59 VAL H 1 73 PHE QD . . 5.000 4.040 3.448 4.477 . 0 0 "[ . 1 . 2]" 1
965 1 59 VAL HA 1 59 VAL QG . . 3.160 2.267 2.052 2.552 . 0 0 "[ . 1 . 2]" 1
966 1 59 VAL HA 1 60 THR H . . 2.970 2.331 2.229 2.515 . 0 0 "[ . 1 . 2]" 1
967 1 59 VAL HB 1 60 THR H . . 4.960 3.587 2.586 3.976 . 0 0 "[ . 1 . 2]" 1
968 1 59 VAL HB 1 60 THR MG . . 5.500 4.922 4.394 5.326 . 0 0 "[ . 1 . 2]" 1
969 1 59 VAL HB 1 70 THR HA . . 5.050 4.293 3.403 5.159 0.109 10 0 "[ . 1 . 2]" 1
970 1 59 VAL HB 1 71 GLY H . . 5.050 3.462 2.429 4.782 . 0 0 "[ . 1 . 2]" 1
971 1 59 VAL HB 1 71 GLY QA . . 5.500 3.439 2.296 4.825 . 0 0 "[ . 1 . 2]" 1
972 1 59 VAL HB 1 73 PHE QE . . 5.500 4.393 3.370 5.582 0.082 1 0 "[ . 1 . 2]" 1
973 1 59 VAL QG 1 60 THR H . . 3.600 2.524 2.179 3.209 . 0 0 "[ . 1 . 2]" 1
974 1 59 VAL QG 1 60 THR HA . . 4.420 3.202 2.459 3.726 . 0 0 "[ . 1 . 2]" 1
975 1 59 VAL QG 1 60 THR MG . . 3.950 3.883 3.726 3.950 0.000 9 0 "[ . 1 . 2]" 1
976 1 59 VAL QG 1 69 PHE QR . . 3.550 2.547 2.139 2.911 . 0 0 "[ . 1 . 2]" 1
977 1 59 VAL QG 1 69 PHE QE . . 2.920 2.813 2.241 3.020 0.100 16 0 "[ . 1 . 2]" 1
978 1 59 VAL QG 1 70 THR HA . . 4.470 3.220 2.456 3.923 . 0 0 "[ . 1 . 2]" 1
979 1 59 VAL QG 1 70 THR HB . . 5.500 4.611 3.933 5.153 . 0 0 "[ . 1 . 2]" 1
980 1 59 VAL QG 1 71 GLY H . . 3.810 2.824 1.711 3.530 . 0 0 "[ . 1 . 2]" 1
981 1 59 VAL QG 1 71 GLY QA . . 4.260 2.440 1.805 3.005 . 0 0 "[ . 1 . 2]" 1
982 1 59 VAL QG 1 72 HIS HA . . 5.440 4.660 3.946 5.253 . 0 0 "[ . 1 . 2]" 1
983 1 59 VAL QG 1 73 PHE QD . . 4.300 3.023 2.432 3.824 . 0 0 "[ . 1 . 2]" 1
984 1 59 VAL QG 1 73 PHE QE . . 3.890 2.575 2.046 3.281 . 0 0 "[ . 1 . 2]" 1
985 1 59 VAL QG 1 83 VAL QG . . 3.500 2.084 1.737 2.478 . 0 0 "[ . 1 . 2]" 1
986 1 60 THR H 1 60 THR HB . . 3.920 3.715 3.568 3.877 . 0 0 "[ . 1 . 2]" 1
987 1 60 THR H 1 60 THR MG . . 3.680 2.568 2.450 2.788 . 0 0 "[ . 1 . 2]" 1
988 1 60 THR H 1 61 GLY H . . 4.560 3.878 3.557 4.169 . 0 0 "[ . 1 . 2]" 1
989 1 60 THR H 1 61 GLY HA2 . . 5.500 4.613 4.384 4.875 . 0 0 "[ . 1 . 2]" 1
990 1 60 THR H 1 70 THR HA . . 5.500 4.503 4.157 5.060 . 0 0 "[ . 1 . 2]" 1
991 1 60 THR HA 1 60 THR MG . . 3.370 3.176 3.063 3.253 . 0 0 "[ . 1 . 2]" 1
992 1 60 THR HA 1 61 GLY H . . 3.050 2.157 2.081 2.251 . 0 0 "[ . 1 . 2]" 1
993 1 60 THR HA 1 61 GLY HA2 . . 5.460 4.445 4.378 4.506 . 0 0 "[ . 1 . 2]" 1
994 1 60 THR HA 1 69 PHE H . . 4.620 4.501 4.251 4.687 0.067 11 0 "[ . 1 . 2]" 1
995 1 60 THR HA 1 69 PHE QR . . 4.690 3.869 3.102 4.357 . 0 0 "[ . 1 . 2]" 1
996 1 60 THR HA 1 70 THR HA . . 3.290 2.381 2.038 2.747 . 0 0 "[ . 1 . 2]" 1
997 1 60 THR HA 1 70 THR HB . . 4.630 4.035 3.507 4.656 0.026 5 0 "[ . 1 . 2]" 1
998 1 60 THR HA 1 70 THR MG . . 3.910 2.410 2.106 2.904 . 0 0 "[ . 1 . 2]" 1
999 1 60 THR HA 1 71 GLY H . . 4.300 3.918 3.567 4.361 0.061 15 0 "[ . 1 . 2]" 1
1000 1 60 THR HB 1 70 THR HA . . 4.640 3.519 3.201 4.090 . 0 0 "[ . 1 . 2]" 1
1001 1 60 THR HB 1 70 THR MG . . 3.980 2.026 1.900 2.096 . 0 0 "[ . 1 . 2]" 1
1002 1 60 THR MG 1 61 GLY H . . 4.410 4.408 4.132 4.507 0.097 19 0 "[ . 1 . 2]" 1
1003 1 60 THR MG 1 61 GLY HA2 . . 4.950 4.758 4.275 5.037 0.087 19 0 "[ . 1 . 2]" 1
1004 1 60 THR MG 1 69 PHE QR . . 5.500 5.507 4.908 5.808 0.308 4 0 "[ . 1 . 2]" 1
1005 1 60 THR MG 1 70 THR HB . . 4.650 4.693 4.343 4.758 0.108 6 0 "[ . 1 . 2]" 1
1006 1 60 THR MG 1 70 THR MG . . 3.380 3.422 2.895 3.515 0.135 2 0 "[ . 1 . 2]" 1
1007 1 60 THR MG 1 71 GLY H . . 4.760 4.727 4.272 4.881 0.121 13 0 "[ . 1 . 2]" 1
1008 1 61 GLY H 1 62 THR H . . 4.730 4.434 4.288 4.593 . 0 0 "[ . 1 . 2]" 1
1009 1 61 GLY H 1 69 PHE H . . 3.640 2.987 2.809 3.190 . 0 0 "[ . 1 . 2]" 1
1010 1 61 GLY H 1 69 PHE QD . . 4.320 3.412 2.967 4.021 . 0 0 "[ . 1 . 2]" 1
1011 1 61 GLY H 1 69 PHE QE . . 4.260 3.689 3.360 4.172 . 0 0 "[ . 1 . 2]" 1
1012 1 61 GLY H 1 70 THR HA . . 4.080 3.682 3.497 4.008 . 0 0 "[ . 1 . 2]" 1
1013 1 61 GLY H 1 70 THR MG . . 4.790 3.665 3.325 4.124 . 0 0 "[ . 1 . 2]" 1
1014 1 61 GLY H 1 71 GLY H . . 5.500 5.570 5.488 5.587 0.087 17 0 "[ . 1 . 2]" 1
1015 1 61 GLY HA2 1 62 THR H . . 3.440 2.602 2.489 2.864 . 0 0 "[ . 1 . 2]" 1
1016 1 61 GLY HA2 1 62 THR MG . . 5.500 5.284 5.066 5.513 0.013 3 0 "[ . 1 . 2]" 1
1017 1 61 GLY HA2 1 69 PHE H . . 5.020 4.857 4.725 5.027 0.007 16 0 "[ . 1 . 2]" 1
1018 1 61 GLY HA2 1 69 PHE QR . . 4.120 4.133 3.939 4.428 0.308 10 0 "[ . 1 . 2]" 1
1019 1 61 GLY HA2 1 69 PHE HZ . . 5.500 4.437 4.244 4.738 . 0 0 "[ . 1 . 2]" 1
1020 1 61 GLY HA3 1 62 THR H . . 3.400 2.629 2.371 2.804 . 0 0 "[ . 1 . 2]" 1
1021 1 61 GLY HA3 1 69 PHE QR . . 4.390 2.893 2.637 3.334 . 0 0 "[ . 1 . 2]" 1
1022 1 61 GLY HA3 1 69 PHE QE . . 5.160 2.956 2.679 3.418 . 0 0 "[ . 1 . 2]" 1
1023 1 62 THR H 1 62 THR HB . . 3.630 2.939 2.763 3.072 . 0 0 "[ . 1 . 2]" 1
1024 1 62 THR H 1 62 THR MG . . 4.180 3.984 3.863 4.075 . 0 0 "[ . 1 . 2]" 1
1025 1 62 THR H 1 63 THR H . . 4.460 4.334 4.226 4.476 0.016 16 0 "[ . 1 . 2]" 1
1026 1 62 THR H 1 68 LYS HA . . 4.660 4.704 4.604 4.742 0.082 16 0 "[ . 1 . 2]" 1
1027 1 62 THR H 1 69 PHE H . . 4.900 4.878 4.716 4.962 0.062 13 0 "[ . 1 . 2]" 1
1028 1 62 THR H 1 69 PHE QE . . 4.300 3.321 2.519 3.596 . 0 0 "[ . 1 . 2]" 1
1029 1 62 THR H 1 69 PHE HZ . . 5.500 3.773 3.542 4.322 . 0 0 "[ . 1 . 2]" 1
1030 1 62 THR HA 1 62 THR MG . . 3.300 2.334 2.187 2.508 . 0 0 "[ . 1 . 2]" 1
1031 1 62 THR HA 1 63 THR H . . 2.980 2.237 2.110 2.453 . 0 0 "[ . 1 . 2]" 1
1032 1 62 THR HA 1 63 THR MG . . 4.510 3.415 3.191 3.659 . 0 0 "[ . 1 . 2]" 1
1033 1 62 THR HA 1 67 GLU H . . 5.500 4.634 4.272 4.850 . 0 0 "[ . 1 . 2]" 1
1034 1 62 THR HA 1 68 LYS H . . 5.320 4.603 4.398 4.703 . 0 0 "[ . 1 . 2]" 1
1035 1 62 THR HA 1 68 LYS HA . . 3.250 2.204 2.093 2.303 . 0 0 "[ . 1 . 2]" 1
1036 1 62 THR HA 1 68 LYS HB3 . . 5.260 4.979 3.852 5.299 0.039 18 0 "[ . 1 . 2]" 1
1037 1 62 THR HA 1 69 PHE H . . 3.670 3.283 3.062 3.397 . 0 0 "[ . 1 . 2]" 1
1038 1 62 THR HA 1 69 PHE QD . . 3.840 3.220 2.768 3.550 . 0 0 "[ . 1 . 2]" 1
1039 1 62 THR HA 1 69 PHE QR . . 3.860 2.908 2.577 3.274 . 0 0 "[ . 1 . 2]" 1
1040 1 62 THR HA 1 69 PHE QE . . 4.640 3.341 2.883 4.138 . 0 0 "[ . 1 . 2]" 1
1041 1 62 THR HB 1 63 THR H . . 3.930 3.900 3.751 3.983 0.053 5 0 "[ . 1 . 2]" 1
1042 1 62 THR HB 1 63 THR MG . . 5.290 5.336 5.166 5.388 0.098 1 0 "[ . 1 . 2]" 1
1043 1 62 THR MG 1 63 THR H . . 3.460 2.501 2.388 2.638 . 0 0 "[ . 1 . 2]" 1
1044 1 62 THR MG 1 63 THR HA . . 4.390 4.419 4.293 4.476 0.086 15 0 "[ . 1 . 2]" 1
1045 1 62 THR MG 1 65 SER H . . 5.500 5.299 4.661 5.575 0.075 10 0 "[ . 1 . 2]" 1
1046 1 62 THR MG 1 66 GLY H . . 4.040 3.268 3.030 3.612 . 0 0 "[ . 1 . 2]" 1
1047 1 62 THR MG 1 66 GLY HA2 . . 3.500 2.150 2.024 2.572 . 0 0 "[ . 1 . 2]" 1
1048 1 62 THR MG 1 66 GLY HA3 . . 4.040 3.449 3.305 3.943 . 0 0 "[ . 1 . 2]" 1
1049 1 62 THR MG 1 67 GLU H . . 4.100 3.151 2.650 3.348 . 0 0 "[ . 1 . 2]" 1
1050 1 62 THR MG 1 67 GLU HA . . 3.580 3.670 3.462 3.697 0.117 9 0 "[ . 1 . 2]" 1
1051 1 62 THR MG 1 68 LYS H . . 4.790 3.622 3.149 4.057 . 0 0 "[ . 1 . 2]" 1
1052 1 62 THR MG 1 68 LYS HA . . 3.660 2.659 2.387 3.018 . 0 0 "[ . 1 . 2]" 1
1053 1 62 THR MG 1 68 LYS HB3 . . 4.500 3.927 2.527 4.588 0.088 4 0 "[ . 1 . 2]" 1
1054 1 62 THR MG 1 68 LYS HG3 . . 4.770 4.047 2.934 5.179 0.409 17 0 "[ . 1 . 2]" 1
1055 1 62 THR MG 1 69 PHE H . . 4.780 4.451 4.249 4.688 . 0 0 "[ . 1 . 2]" 1
1056 1 62 THR MG 1 69 PHE QR . . 5.060 4.230 3.946 4.595 . 0 0 "[ . 1 . 2]" 1
1057 1 63 THR H 1 63 THR MG . . 3.240 2.067 1.902 2.190 . 0 0 "[ . 1 . 2]" 1
1058 1 63 THR H 1 65 SER H . . 5.500 4.849 4.347 5.001 . 0 0 "[ . 1 . 2]" 1
1059 1 63 THR H 1 66 GLY H . . 4.720 3.804 3.530 4.321 . 0 0 "[ . 1 . 2]" 1
1060 1 63 THR H 1 66 GLY HA2 . . 5.500 4.178 3.937 4.490 . 0 0 "[ . 1 . 2]" 1
1061 1 63 THR H 1 67 GLU H . . 3.720 2.928 2.600 3.139 . 0 0 "[ . 1 . 2]" 1
1062 1 63 THR H 1 67 GLU HB3 . . 4.740 4.513 3.647 4.769 0.029 6 0 "[ . 1 . 2]" 1
1063 1 63 THR H 1 68 LYS H . . 5.500 4.871 4.663 4.947 . 0 0 "[ . 1 . 2]" 1
1064 1 63 THR H 1 68 LYS HA . . 3.990 3.676 3.526 3.818 . 0 0 "[ . 1 . 2]" 1
1065 1 63 THR H 1 69 PHE H . . 4.810 4.836 4.454 4.897 0.087 5 0 "[ . 1 . 2]" 1
1066 1 63 THR H 1 69 PHE QD . . 4.260 3.419 2.925 3.815 . 0 0 "[ . 1 . 2]" 1
1067 1 63 THR H 1 93 VAL QG . . 5.500 4.251 3.730 4.705 . 0 0 "[ . 1 . 2]" 1
1068 1 63 THR HA 1 63 THR MG . . 3.130 2.520 2.436 2.764 . 0 0 "[ . 1 . 2]" 1
1069 1 63 THR HA 1 64 GLN H . . 3.330 2.394 2.301 2.464 . 0 0 "[ . 1 . 2]" 1
1070 1 63 THR HA 1 64 GLN HA . . 4.350 4.408 4.354 4.424 0.074 6 0 "[ . 1 . 2]" 1
1071 1 63 THR HA 1 65 SER H . . 4.240 4.284 4.023 4.329 0.089 6 0 "[ . 1 . 2]" 1
1072 1 63 THR HA 1 69 PHE QD . . 5.380 4.680 3.984 5.167 . 0 0 "[ . 1 . 2]" 1
1073 1 63 THR HA 1 69 PHE QE . . 4.260 3.352 2.839 3.831 . 0 0 "[ . 1 . 2]" 1
1074 1 63 THR HB 1 64 GLN H . . 3.350 2.366 2.176 2.611 . 0 0 "[ . 1 . 2]" 1
1075 1 63 THR HB 1 65 SER H . . 4.610 2.963 2.732 3.427 . 0 0 "[ . 1 . 2]" 1
1076 1 63 THR HB 1 93 VAL QG . . 5.500 3.864 3.561 4.117 . 0 0 "[ . 1 . 2]" 1
1077 1 63 THR MG 1 64 GLN H . . 4.100 3.836 3.713 3.980 . 0 0 "[ . 1 . 2]" 1
1078 1 63 THR MG 1 65 SER H . . 5.080 4.156 3.927 4.283 . 0 0 "[ . 1 . 2]" 1
1079 1 63 THR MG 1 66 GLY H . . 5.500 4.470 4.084 5.001 . 0 0 "[ . 1 . 2]" 1
1080 1 63 THR MG 1 66 GLY HA2 . . 5.500 5.354 5.201 5.544 0.044 20 0 "[ . 1 . 2]" 1
1081 1 63 THR MG 1 67 GLU H . . 4.370 3.256 2.994 3.448 . 0 0 "[ . 1 . 2]" 1
1082 1 63 THR MG 1 67 GLU HB3 . . 3.710 3.289 2.405 3.818 0.108 6 0 "[ . 1 . 2]" 1
1083 1 63 THR MG 1 68 LYS H . . 4.630 4.701 4.337 4.753 0.123 19 0 "[ . 1 . 2]" 1
1084 1 63 THR MG 1 69 PHE H . . 5.500 4.495 4.030 4.765 . 0 0 "[ . 1 . 2]" 1
1085 1 63 THR MG 1 69 PHE HB3 . . 5.090 3.877 3.053 4.185 . 0 0 "[ . 1 . 2]" 1
1086 1 63 THR MG 1 69 PHE QD . . 3.150 2.386 2.187 2.698 . 0 0 "[ . 1 . 2]" 1
1087 1 63 THR MG 1 69 PHE QR . . 3.300 2.201 2.034 2.441 . 0 0 "[ . 1 . 2]" 1
1088 1 63 THR MG 1 69 PHE QE . . 3.510 2.664 2.215 3.268 . 0 0 "[ . 1 . 2]" 1
1089 1 63 THR MG 1 93 VAL H . . 5.500 5.059 4.535 5.473 . 0 0 "[ . 1 . 2]" 1
1090 1 63 THR MG 1 93 VAL HB . . 4.620 3.570 3.233 3.873 . 0 0 "[ . 1 . 2]" 1
1091 1 63 THR MG 1 93 VAL QG . . 3.390 1.937 1.763 2.096 . 0 0 "[ . 1 . 2]" 1
1092 1 64 GLN H 1 64 GLN HB3 . . 3.470 2.522 2.257 2.842 . 0 0 "[ . 1 . 2]" 1
1093 1 64 GLN H 1 65 SER H . . 4.210 2.832 2.639 2.992 . 0 0 "[ . 1 . 2]" 1
1094 1 64 GLN H 1 66 GLY H . . 5.050 4.132 3.892 4.506 . 0 0 "[ . 1 . 2]" 1
1095 1 64 GLN HA 1 64 GLN HE21 . . 5.500 4.639 3.849 5.120 . 0 0 "[ . 1 . 2]" 1
1096 1 64 GLN HA 1 64 GLN HE22 . . 5.500 5.478 4.742 5.599 0.099 17 0 "[ . 1 . 2]" 1
1097 1 64 GLN HA 1 66 GLY H . . 4.770 3.848 3.433 4.259 . 0 0 "[ . 1 . 2]" 1
1098 1 64 GLN HB3 1 64 GLN HE22 . . 5.500 4.015 3.167 5.270 . 0 0 "[ . 1 . 2]" 1
1099 1 64 GLN HB3 1 65 SER H . . 4.220 2.737 2.493 4.246 0.026 18 0 "[ . 1 . 2]" 1
1100 1 65 SER H 1 65 SER HB3 . . 4.100 3.208 2.590 3.605 . 0 0 "[ . 1 . 2]" 1
1101 1 65 SER H 1 66 GLY H . . 3.890 2.738 2.284 3.047 . 0 0 "[ . 1 . 2]" 1
1102 1 65 SER H 1 66 GLY HA2 . . 5.500 5.034 4.557 5.231 . 0 0 "[ . 1 . 2]" 1
1103 1 65 SER H 1 67 GLU H . . 4.600 3.784 3.305 4.041 . 0 0 "[ . 1 . 2]" 1
1104 1 65 SER HB3 1 66 GLY H . . 4.970 3.916 2.705 4.498 . 0 0 "[ . 1 . 2]" 1
1105 1 65 SER HB3 1 67 GLU H . . 5.500 3.619 2.820 4.950 . 0 0 "[ . 1 . 2]" 1
1106 1 66 GLY H 1 67 GLU H . . 3.260 2.531 1.995 3.010 . 0 0 "[ . 1 . 2]" 1
1107 1 66 GLY H 1 67 GLU HB3 . . 4.900 5.968 4.957 6.411 1.511 20 19 "[-**** *************+]" 1
1108 1 67 GLU H 1 67 GLU HB3 . . 3.350 3.480 2.467 3.659 0.309 12 0 "[ . 1 . 2]" 1
1109 1 67 GLU H 1 68 LYS H . . 4.650 4.489 4.271 4.619 . 0 0 "[ . 1 . 2]" 1
1110 1 67 GLU H 1 69 PHE QD . . 5.500 5.553 5.377 5.603 0.103 10 0 "[ . 1 . 2]" 1
1111 1 67 GLU HA 1 68 LYS H . . 2.730 2.190 1.978 2.351 . 0 0 "[ . 1 . 2]" 1
1112 1 67 GLU HA 1 68 LYS HB3 . . 5.100 4.384 3.854 4.772 . 0 0 "[ . 1 . 2]" 1
1113 1 68 LYS H 1 68 LYS HB3 . . 3.380 2.480 2.258 2.681 . 0 0 "[ . 1 . 2]" 1
1114 1 68 LYS H 1 68 LYS HG3 . . 4.430 4.334 3.215 4.525 0.095 16 0 "[ . 1 . 2]" 1
1115 1 68 LYS H 1 69 PHE H . . 5.070 4.415 4.253 4.595 . 0 0 "[ . 1 . 2]" 1
1116 1 68 LYS HA 1 69 PHE H . . 2.960 2.142 1.986 2.323 . 0 0 "[ . 1 . 2]" 1
1117 1 68 LYS HA 1 69 PHE HB3 . . 4.550 4.529 4.284 4.622 0.072 16 0 "[ . 1 . 2]" 1
1118 1 68 LYS HA 1 69 PHE QD . . 4.000 3.499 3.015 4.067 0.067 11 0 "[ . 1 . 2]" 1
1119 1 68 LYS HA 1 70 THR MG . . 5.500 5.288 4.841 5.582 0.082 6 0 "[ . 1 . 2]" 1
1120 1 68 LYS HB3 1 69 PHE H . . 4.190 4.080 3.753 4.274 0.084 11 0 "[ . 1 . 2]" 1
1121 1 68 LYS HG3 1 69 PHE H . . 4.980 2.885 2.283 4.217 . 0 0 "[ . 1 . 2]" 1
1122 1 69 PHE H 1 69 PHE QD . . 3.510 2.841 2.549 3.189 . 0 0 "[ . 1 . 2]" 1
1123 1 69 PHE H 1 69 PHE QE . . 4.570 4.226 3.975 4.518 . 0 0 "[ . 1 . 2]" 1
1124 1 69 PHE H 1 70 THR H . . 4.380 4.414 4.231 4.462 0.082 11 0 "[ . 1 . 2]" 1
1125 1 69 PHE H 1 70 THR MG . . 5.500 4.129 3.662 4.413 . 0 0 "[ . 1 . 2]" 1
1126 1 69 PHE HA 1 69 PHE QR . . 4.020 3.716 3.590 3.757 . 0 0 "[ . 1 . 2]" 1
1127 1 69 PHE HA 1 70 THR H . . 2.930 2.313 2.168 2.487 . 0 0 "[ . 1 . 2]" 1
1128 1 69 PHE HA 1 70 THR MG . . 5.330 3.934 3.571 4.381 . 0 0 "[ . 1 . 2]" 1
1129 1 69 PHE HA 1 93 VAL HB . . 4.580 4.189 3.356 4.666 0.086 16 0 "[ . 1 . 2]" 1
1130 1 69 PHE HA 1 93 VAL QG . . 5.390 3.984 2.562 4.256 . 0 0 "[ . 1 . 2]" 1
1131 1 69 PHE HA 1 95 VAL QG . . 5.230 4.321 3.827 5.128 . 0 0 "[ . 1 . 2]" 1
1132 1 69 PHE HB3 1 70 THR H . . 4.170 4.003 3.780 4.211 0.041 14 0 "[ . 1 . 2]" 1
1133 1 69 PHE HB3 1 93 VAL HB . . 3.850 2.596 2.087 3.751 . 0 0 "[ . 1 . 2]" 1
1134 1 69 PHE HB3 1 93 VAL QG . . 4.750 2.250 1.851 2.703 . 0 0 "[ . 1 . 2]" 1
1135 1 69 PHE HB3 1 95 VAL QG . . 5.290 4.143 3.652 4.957 . 0 0 "[ . 1 . 2]" 1
1136 1 69 PHE QR 1 70 THR MG . . 5.350 4.592 4.181 4.850 . 0 0 "[ . 1 . 2]" 1
1137 1 69 PHE QR 1 85 ILE MD . . 3.520 2.902 2.387 3.411 . 0 0 "[ . 1 . 2]" 1
1138 1 69 PHE QR 1 85 ILE MG . . 3.870 3.352 2.870 3.739 . 0 0 "[ . 1 . 2]" 1
1139 1 69 PHE QR 1 93 VAL HB . . 4.440 3.711 3.012 4.200 . 0 0 "[ . 1 . 2]" 1
1140 1 69 PHE QR 1 93 VAL QG . . 3.760 2.454 2.073 3.043 . 0 0 "[ . 1 . 2]" 1
1141 1 69 PHE QR 1 95 VAL QG . . 3.170 2.376 2.025 2.792 . 0 0 "[ . 1 . 2]" 1
1142 1 69 PHE QD 1 70 THR H . . 4.320 3.919 3.394 4.380 0.060 14 0 "[ . 1 . 2]" 1
1143 1 69 PHE QD 1 71 GLY H . . 5.500 4.856 4.315 5.398 . 0 0 "[ . 1 . 2]" 1
1144 1 69 PHE QD 1 93 VAL HB . . 4.180 3.759 3.034 4.279 0.099 16 0 "[ . 1 . 2]" 1
1145 1 69 PHE QD 1 93 VAL QG . . 3.230 2.500 2.087 3.142 . 0 0 "[ . 1 . 2]" 1
1146 1 69 PHE QD 1 95 VAL QG . . 2.760 2.416 2.046 2.860 0.100 13 0 "[ . 1 . 2]" 1
1147 1 69 PHE QE 1 85 ILE MD . . 3.390 2.959 2.407 3.489 0.099 8 0 "[ . 1 . 2]" 1
1148 1 69 PHE HZ 1 85 ILE MD . . 3.690 2.940 2.377 3.670 . 0 0 "[ . 1 . 2]" 1
1149 1 69 PHE HZ 1 85 ILE MG . . 4.290 4.073 3.399 4.390 0.100 19 0 "[ . 1 . 2]" 1
1150 1 70 THR H 1 70 THR HB . . 3.880 3.838 3.669 3.946 0.066 16 0 "[ . 1 . 2]" 1
1151 1 70 THR H 1 70 THR MG . . 3.900 3.246 3.053 3.612 . 0 0 "[ . 1 . 2]" 1
1152 1 70 THR H 1 71 GLY H . . 5.000 4.347 4.144 4.472 . 0 0 "[ . 1 . 2]" 1
1153 1 70 THR H 1 95 VAL QG . . 4.570 3.284 2.725 4.311 . 0 0 "[ . 1 . 2]" 1
1154 1 70 THR HA 1 70 THR MG . . 3.460 2.366 2.250 2.654 . 0 0 "[ . 1 . 2]" 1
1155 1 70 THR HA 1 71 GLY H . . 3.050 2.229 1.997 2.365 . 0 0 "[ . 1 . 2]" 1
1156 1 70 THR HA 1 71 GLY QA . . 4.960 3.879 3.616 3.979 . 0 0 "[ . 1 . 2]" 1
1157 1 70 THR HA 1 95 VAL QG . . 5.500 3.391 2.814 4.068 . 0 0 "[ . 1 . 2]" 1
1158 1 70 THR HB 1 71 GLY H . . 4.020 2.545 2.232 2.955 . 0 0 "[ . 1 . 2]" 1
1159 1 70 THR HB 1 72 HIS HA . . 5.500 5.338 4.895 5.584 0.084 11 0 "[ . 1 . 2]" 1
1160 1 70 THR HB 1 72 HIS HD2 . . 5.330 3.031 2.351 3.793 . 0 0 "[ . 1 . 2]" 1
1161 1 70 THR HB 1 72 HIS HE1 . . 5.280 3.935 3.020 4.340 . 0 0 "[ . 1 . 2]" 1
1162 1 70 THR MG 1 71 GLY H . . 3.740 3.614 3.266 3.822 0.082 18 0 "[ . 1 . 2]" 1
1163 1 70 THR MG 1 71 GLY QA . . 5.500 4.979 4.780 5.048 . 0 0 "[ . 1 . 2]" 1
1164 1 70 THR MG 1 72 HIS H . . 5.500 5.417 4.738 5.605 0.105 13 0 "[ . 1 . 2]" 1
1165 1 70 THR MG 1 72 HIS HD2 . . 4.270 4.088 3.683 4.362 0.092 17 0 "[ . 1 . 2]" 1
1166 1 70 THR MG 1 72 HIS HE1 . . 3.780 3.701 2.902 3.885 0.105 13 0 "[ . 1 . 2]" 1
1167 1 71 GLY H 1 72 HIS H . . 4.900 3.113 2.369 3.772 . 0 0 "[ . 1 . 2]" 1
1168 1 71 GLY H 1 73 PHE QE . . 5.500 4.733 4.241 5.080 . 0 0 "[ . 1 . 2]" 1
1169 1 71 GLY H 1 95 VAL HB . . 5.500 4.548 3.944 5.265 . 0 0 "[ . 1 . 2]" 1
1170 1 71 GLY H 1 95 VAL QG . . 4.360 3.299 2.754 3.684 . 0 0 "[ . 1 . 2]" 1
1171 1 71 GLY QA 1 72 HIS H . . 3.400 2.261 1.950 2.528 . 0 0 "[ . 1 . 2]" 1
1172 1 71 GLY QA 1 73 PHE QE . . 3.620 2.399 2.003 2.828 . 0 0 "[ . 1 . 2]" 1
1173 1 71 GLY QA 1 73 PHE HZ . . 4.540 3.139 2.686 3.602 . 0 0 "[ . 1 . 2]" 1
1174 1 71 GLY QA 1 95 VAL H . . 5.500 4.313 3.597 4.926 . 0 0 "[ . 1 . 2]" 1
1175 1 71 GLY QA 1 95 VAL HA . . 5.450 4.848 4.574 5.069 . 0 0 "[ . 1 . 2]" 1
1176 1 71 GLY QA 1 95 VAL HB . . 3.810 2.344 1.950 3.549 . 0 0 "[ . 1 . 2]" 1
1177 1 71 GLY QA 1 95 VAL QG . . 4.000 2.189 1.685 2.684 . 0 0 "[ . 1 . 2]" 1
1178 1 72 HIS H 1 72 HIS HD2 . . 4.480 3.675 2.469 4.534 0.054 6 0 "[ . 1 . 2]" 1
1179 1 72 HIS H 1 73 PHE H . . 4.990 3.758 2.755 4.442 . 0 0 "[ . 1 . 2]" 1
1180 1 72 HIS H 1 73 PHE QE . . 5.120 4.218 3.162 4.722 . 0 0 "[ . 1 . 2]" 1
1181 1 72 HIS H 1 95 VAL HB . . 5.500 5.197 4.632 5.605 0.105 10 0 "[ . 1 . 2]" 1
1182 1 72 HIS H 1 95 VAL QG . . 5.500 4.344 3.061 4.896 . 0 0 "[ . 1 . 2]" 1
1183 1 72 HIS HA 1 73 PHE H . . 3.190 2.242 2.150 2.387 . 0 0 "[ . 1 . 2]" 1
1184 1 72 HIS HA 1 73 PHE QD . . 4.480 4.233 3.487 4.568 0.088 5 0 "[ . 1 . 2]" 1
1185 1 72 HIS HB3 1 72 HIS HD2 . . 3.340 3.741 3.529 3.884 0.544 18 3 "[ . 1 * -. + 2]" 1
1186 1 73 PHE H 1 73 PHE HB3 . . 3.960 3.730 3.554 3.855 . 0 0 "[ . 1 . 2]" 1
1187 1 73 PHE H 1 73 PHE QD . . 3.490 3.089 2.268 3.549 0.059 18 0 "[ . 1 . 2]" 1
1188 1 73 PHE H 1 74 LYS HG3 . . 5.500 4.947 4.285 6.052 0.552 17 1 "[ . 1 . + 2]" 1
1189 1 73 PHE H 1 76 LEU QD . . 5.500 4.396 3.879 4.970 . 0 0 "[ . 1 . 2]" 1
1190 1 73 PHE H 1 97 ILE MD . . 5.500 5.162 4.700 5.402 . 0 0 "[ . 1 . 2]" 1
1191 1 73 PHE HA 1 73 PHE QD . . 3.270 2.619 2.275 2.931 . 0 0 "[ . 1 . 2]" 1
1192 1 73 PHE HA 1 74 LYS H . . 3.060 2.261 2.054 2.401 . 0 0 "[ . 1 . 2]" 1
1193 1 73 PHE HA 1 74 LYS HB3 . . 5.010 5.462 4.676 5.738 0.728 14 13 "[ ** * ****+**- **]" 1
1194 1 73 PHE HA 1 76 LEU QD . . 5.300 4.115 3.658 4.757 . 0 0 "[ . 1 . 2]" 1
1195 1 73 PHE HA 1 97 ILE MD . . 5.500 4.208 3.863 4.529 . 0 0 "[ . 1 . 2]" 1
1196 1 73 PHE HB3 1 74 LYS H . . 4.760 2.748 2.405 3.026 . 0 0 "[ . 1 . 2]" 1
1197 1 73 PHE HB3 1 76 LEU QD . . 3.900 2.345 2.136 2.893 . 0 0 "[ . 1 . 2]" 1
1198 1 73 PHE HB3 1 76 LEU HG . . 5.500 3.896 3.331 4.734 . 0 0 "[ . 1 . 2]" 1
1199 1 73 PHE HB3 1 97 ILE MD . . 4.840 2.583 2.242 2.918 . 0 0 "[ . 1 . 2]" 1
1200 1 73 PHE QD 1 74 LYS H . . 3.810 3.863 3.554 3.900 0.090 17 0 "[ . 1 . 2]" 1
1201 1 73 PHE QD 1 76 LEU QD . . 4.110 3.505 3.336 3.718 . 0 0 "[ . 1 . 2]" 1
1202 1 73 PHE QD 1 97 ILE MD . . 3.340 2.538 2.236 2.750 . 0 0 "[ . 1 . 2]" 1
1203 1 73 PHE QE 1 83 VAL HA . . 5.500 5.003 4.361 5.516 0.016 13 0 "[ . 1 . 2]" 1
1204 1 73 PHE QE 1 83 VAL QG . . 4.350 3.355 2.913 3.839 . 0 0 "[ . 1 . 2]" 1
1205 1 73 PHE QE 1 95 VAL H . . 5.100 5.071 4.700 5.191 0.091 11 0 "[ . 1 . 2]" 1
1206 1 73 PHE QE 1 95 VAL HB . . 3.450 3.347 2.926 3.579 0.129 10 0 "[ . 1 . 2]" 1
1207 1 73 PHE QE 1 95 VAL QG . . 3.130 2.129 1.851 2.398 . 0 0 "[ . 1 . 2]" 1
1208 1 73 PHE QE 1 96 PHE HA . . 3.490 3.501 3.231 3.585 0.095 15 0 "[ . 1 . 2]" 1
1209 1 73 PHE QE 1 97 ILE H . . 4.900 4.584 4.337 4.949 0.049 5 0 "[ . 1 . 2]" 1
1210 1 73 PHE QE 1 97 ILE HB . . 5.430 5.433 5.156 5.523 0.093 10 0 "[ . 1 . 2]" 1
1211 1 73 PHE QE 1 97 ILE MD . . 3.760 3.266 3.052 3.475 . 0 0 "[ . 1 . 2]" 1
1212 1 73 PHE QE 1 97 ILE HG13 . . 5.500 4.152 3.806 4.775 . 0 0 "[ . 1 . 2]" 1
1213 1 73 PHE QE 1 97 ILE MG . . 4.850 3.190 2.694 3.769 . 0 0 "[ . 1 . 2]" 1
1214 1 73 PHE HZ 1 83 VAL QG . . 5.150 4.422 3.743 4.915 . 0 0 "[ . 1 . 2]" 1
1215 1 73 PHE HZ 1 95 VAL H . . 5.500 4.276 4.032 4.585 . 0 0 "[ . 1 . 2]" 1
1216 1 73 PHE HZ 1 95 VAL HB . . 3.690 2.859 2.253 3.790 0.100 10 0 "[ . 1 . 2]" 1
1217 1 73 PHE HZ 1 95 VAL QG . . 3.320 2.230 1.814 2.763 . 0 0 "[ . 1 . 2]" 1
1218 1 73 PHE HZ 1 96 PHE HA . . 3.480 3.238 2.605 3.544 0.064 6 0 "[ . 1 . 2]" 1
1219 1 73 PHE HZ 1 97 ILE MD . . 5.020 4.135 3.718 4.702 . 0 0 "[ . 1 . 2]" 1
1220 1 74 LYS H 1 74 LYS HG3 . . 4.560 3.935 3.209 4.588 0.028 17 0 "[ . 1 . 2]" 1
1221 1 74 LYS H 1 75 GLY H . . 5.500 4.127 1.890 4.447 . 0 0 "[ . 1 . 2]" 1
1222 1 74 LYS H 1 75 GLY QA . . 5.500 4.612 3.611 5.094 . 0 0 "[ . 1 . 2]" 1
1223 1 74 LYS H 1 76 LEU H . . 5.500 5.170 4.435 5.570 0.070 12 0 "[ . 1 . 2]" 1
1224 1 74 LYS H 1 76 LEU QD . . 5.450 3.504 2.852 4.461 . 0 0 "[ . 1 . 2]" 1
1225 1 74 LYS H 1 97 ILE MD . . 5.500 4.488 4.040 4.820 . 0 0 "[ . 1 . 2]" 1
1226 1 74 LYS HA 1 75 GLY H . . 3.520 2.522 2.262 3.196 . 0 0 "[ . 1 . 2]" 1
1227 1 74 LYS HA 1 75 GLY QA . . 4.530 4.108 3.970 4.332 . 0 0 "[ . 1 . 2]" 1
1228 1 74 LYS HA 1 76 LEU H . . 4.950 3.776 3.257 5.019 0.069 9 0 "[ . 1 . 2]" 1
1229 1 74 LYS HA 1 76 LEU QD . . 5.500 3.535 2.427 4.668 . 0 0 "[ . 1 . 2]" 1
1230 1 74 LYS HA 1 76 LEU HG . . 5.380 3.784 2.857 5.068 . 0 0 "[ . 1 . 2]" 1
1231 1 74 LYS HB3 1 75 GLY H . . 3.930 2.633 2.128 4.008 0.078 1 0 "[ . 1 . 2]" 1
1232 1 74 LYS HB3 1 75 GLY QA . . 4.720 3.721 3.499 4.225 . 0 0 "[ . 1 . 2]" 1
1233 1 75 GLY H 1 76 LEU H . . 3.790 2.794 2.569 3.463 . 0 0 "[ . 1 . 2]" 1
1234 1 75 GLY H 1 76 LEU HB3 . . 5.080 6.210 5.662 6.418 1.338 14 20 [********-****+******] 1
1235 1 75 GLY H 1 76 LEU QD . . 5.500 4.039 3.025 4.708 . 0 0 "[ . 1 . 2]" 1
1236 1 75 GLY QA 1 76 LEU HA . . 5.170 4.131 4.034 4.249 . 0 0 "[ . 1 . 2]" 1
1237 1 75 GLY QA 1 76 LEU QD . . 5.500 3.975 3.381 4.633 . 0 0 "[ . 1 . 2]" 1
1238 1 75 GLY QA 1 76 LEU HG . . 5.500 4.701 4.098 5.611 0.111 5 0 "[ . 1 . 2]" 1
1239 1 76 LEU H 1 76 LEU HB3 . . 3.890 3.641 3.485 3.785 . 0 0 "[ . 1 . 2]" 1
1240 1 76 LEU H 1 76 LEU QD . . 4.080 2.954 2.051 3.572 . 0 0 "[ . 1 . 2]" 1
1241 1 76 LEU H 1 76 LEU HG . . 3.620 2.773 2.223 3.690 0.070 2 0 "[ . 1 . 2]" 1
1242 1 76 LEU H 1 77 VAL H . . 4.600 4.588 4.466 4.661 0.061 3 0 "[ . 1 . 2]" 1
1243 1 76 LEU HA 1 76 LEU QD . . 3.090 2.208 2.125 2.346 . 0 0 "[ . 1 . 2]" 1
1244 1 76 LEU HA 1 76 LEU HG . . 4.170 3.376 3.016 3.842 . 0 0 "[ . 1 . 2]" 1
1245 1 76 LEU HA 1 77 VAL H . . 3.010 2.331 2.168 2.526 . 0 0 "[ . 1 . 2]" 1
1246 1 76 LEU HA 1 99 GLN QE . . 5.150 3.408 2.184 4.029 . 0 0 "[ . 1 . 2]" 1
1247 1 76 LEU HB3 1 77 VAL H . . 4.660 2.655 2.218 3.248 . 0 0 "[ . 1 . 2]" 1
1248 1 76 LEU HB3 1 99 GLN QE . . 5.500 3.569 3.086 4.318 . 0 0 "[ . 1 . 2]" 1
1249 1 76 LEU QD 1 77 VAL H . . 3.710 3.467 3.297 3.687 . 0 0 "[ . 1 . 2]" 1
1250 1 76 LEU QD 1 97 ILE MD . . 3.690 2.104 1.956 2.516 . 0 0 "[ . 1 . 2]" 1
1251 1 76 LEU QD 1 99 GLN QE . . 4.990 2.568 2.182 2.970 . 0 0 "[ . 1 . 2]" 1
1252 1 76 LEU HG 1 77 VAL H . . 5.350 5.042 4.793 5.409 0.059 19 0 "[ . 1 . 2]" 1
1253 1 77 VAL H 1 77 VAL HB . . 4.160 3.628 2.622 3.896 . 0 0 "[ . 1 . 2]" 1
1254 1 77 VAL H 1 77 VAL MG2 . . 3.290 2.340 2.020 2.732 . 0 0 "[ . 1 . 2]" 1
1255 1 77 VAL H 1 78 GLY H . . 4.940 4.419 4.326 4.654 . 0 0 "[ . 1 . 2]" 1
1256 1 77 VAL H 1 99 GLN QE . . 4.510 3.078 2.625 3.473 . 0 0 "[ . 1 . 2]" 1
1257 1 77 VAL HA 1 77 VAL MG1 . . 3.200 2.289 2.202 2.426 . 0 0 "[ . 1 . 2]" 1
1258 1 77 VAL HA 1 77 VAL MG2 . . 3.340 3.168 2.532 3.296 . 0 0 "[ . 1 . 2]" 1
1259 1 77 VAL HA 1 78 GLY H . . 3.010 2.451 2.141 2.675 . 0 0 "[ . 1 . 2]" 1
1260 1 77 VAL HA 1 78 GLY HA2 . . 4.970 4.593 4.133 4.786 . 0 0 "[ . 1 . 2]" 1
1261 1 77 VAL HB 1 78 GLY H . . 3.550 2.543 2.093 3.634 0.084 4 0 "[ . 1 . 2]" 1
1262 1 77 VAL HB 1 78 GLY HA2 . . 4.990 4.259 3.941 5.028 0.038 7 0 "[ . 1 . 2]" 1
1263 1 77 VAL MG1 1 78 GLY H . . 3.960 3.306 1.906 3.898 . 0 0 "[ . 1 . 2]" 1
1264 1 77 VAL MG1 1 78 GLY HA3 . . 5.290 5.155 3.578 5.764 0.474 7 0 "[ . 1 . 2]" 1
1265 1 77 VAL MG2 1 78 GLY H . . 4.130 3.647 3.235 4.164 0.034 17 0 "[ . 1 . 2]" 1
1266 1 78 GLY HA2 1 79 LYS H . . 3.480 2.544 2.220 3.436 . 0 0 "[ . 1 . 2]" 1
1267 1 78 GLY HA2 1 79 LYS HB3 . . 5.340 5.193 4.930 6.210 0.870 7 1 "[ . + 1 . 2]" 1
1268 1 78 GLY HA2 1 80 ASP H . . 5.070 4.334 3.893 4.866 . 0 0 "[ . 1 . 2]" 1
1269 1 78 GLY HA3 1 79 LYS H . . 3.350 2.684 2.262 3.077 . 0 0 "[ . 1 . 2]" 1
1270 1 79 LYS H 1 79 LYS HB3 . . 3.770 2.976 2.640 3.741 . 0 0 "[ . 1 . 2]" 1
1271 1 79 LYS H 1 80 ASP H . . 3.730 2.755 2.392 3.178 . 0 0 "[ . 1 . 2]" 1
1272 1 79 LYS HA 1 80 ASP H . . 3.530 3.025 2.703 3.254 . 0 0 "[ . 1 . 2]" 1
1273 1 79 LYS HA 1 80 ASP HB3 . . 5.500 5.361 5.132 6.029 0.529 15 1 "[ . 1 + 2]" 1
1274 1 80 ASP HA 1 81 THR H . . 3.070 2.397 2.201 2.623 . 0 0 "[ . 1 . 2]" 1
1275 1 80 ASP HB3 1 81 THR H . . 4.030 3.708 3.271 4.054 0.024 7 0 "[ . 1 . 2]" 1
1276 1 81 THR H 1 81 THR HB . . 3.500 3.110 2.501 3.577 0.077 15 0 "[ . 1 . 2]" 1
1277 1 81 THR H 1 81 THR MG . . 4.380 3.923 3.638 4.041 . 0 0 "[ . 1 . 2]" 1
1278 1 81 THR H 1 82 ARG H . . 4.450 4.218 3.767 4.495 0.045 20 0 "[ . 1 . 2]" 1
1279 1 81 THR H 1 82 ARG HA . . 5.150 4.718 4.481 4.925 . 0 0 "[ . 1 . 2]" 1
1280 1 81 THR H 1 82 ARG HG3 . . 5.500 4.625 3.730 5.585 0.085 8 0 "[ . 1 . 2]" 1
1281 1 81 THR HA 1 81 THR MG . . 3.140 2.187 2.111 2.333 . 0 0 "[ . 1 . 2]" 1
1282 1 81 THR HA 1 82 ARG H . . 2.930 2.293 2.113 2.511 . 0 0 "[ . 1 . 2]" 1
1283 1 81 THR HA 1 97 ILE MG . . 5.010 5.049 4.789 5.122 0.112 7 0 "[ . 1 . 2]" 1
1284 1 81 THR HB 1 82 ARG H . . 4.910 3.758 3.098 4.444 . 0 0 "[ . 1 . 2]" 1
1285 1 81 THR HB 1 83 VAL QG . . 5.400 4.264 3.417 5.387 . 0 0 "[ . 1 . 2]" 1
1286 1 81 THR MG 1 82 ARG H . . 3.640 2.662 1.941 3.719 0.079 15 0 "[ . 1 . 2]" 1
1287 1 81 THR MG 1 83 VAL QG . . 4.250 3.569 3.009 4.152 . 0 0 "[ . 1 . 2]" 1
1288 1 82 ARG H 1 82 ARG HB3 . . 4.010 3.810 3.602 4.015 0.005 19 0 "[ . 1 . 2]" 1
1289 1 82 ARG H 1 82 ARG HD3 . . 5.500 5.498 4.846 5.840 0.340 9 0 "[ . 1 . 2]" 1
1290 1 82 ARG H 1 82 ARG HG3 . . 4.810 3.099 2.482 3.578 . 0 0 "[ . 1 . 2]" 1
1291 1 82 ARG H 1 83 VAL H . . 4.880 4.414 4.278 4.592 . 0 0 "[ . 1 . 2]" 1
1292 1 82 ARG H 1 83 VAL QG . . 5.150 4.166 3.847 4.771 . 0 0 "[ . 1 . 2]" 1
1293 1 82 ARG H 1 97 ILE MG . . 4.380 3.796 3.334 4.451 0.071 15 0 "[ . 1 . 2]" 1
1294 1 82 ARG H 1 99 GLN QE . . 5.500 4.758 4.257 5.354 . 0 0 "[ . 1 . 2]" 1
1295 1 82 ARG HA 1 82 ARG HG3 . . 3.900 3.245 2.636 3.767 . 0 0 "[ . 1 . 2]" 1
1296 1 82 ARG HA 1 83 VAL H . . 3.190 2.429 2.185 2.646 . 0 0 "[ . 1 . 2]" 1
1297 1 82 ARG HA 1 83 VAL QG . . 4.500 3.278 2.980 3.666 . 0 0 "[ . 1 . 2]" 1
1298 1 82 ARG HB3 1 83 VAL H . . 4.560 2.478 2.064 3.416 . 0 0 "[ . 1 . 2]" 1
1299 1 82 ARG HB3 1 83 VAL HA . . 5.240 4.577 4.126 5.797 0.557 8 1 "[ . + 1 . 2]" 1
1300 1 82 ARG HB3 1 84 PHE QD . . 4.380 4.020 3.398 5.916 1.536 8 2 "[ . + - . 2]" 1
1301 1 82 ARG HB3 1 84 PHE QE . . 4.780 3.441 2.565 4.895 0.115 8 0 "[ . 1 . 2]" 1
1302 1 82 ARG HD3 1 83 VAL H . . 5.500 5.000 4.350 5.579 0.079 15 0 "[ . 1 . 2]" 1
1303 1 82 ARG HD3 1 84 PHE QE . . 4.210 3.457 2.198 4.292 0.082 18 0 "[ . 1 . 2]" 1
1304 1 82 ARG HG3 1 83 VAL H . . 4.360 4.741 3.961 5.025 0.665 20 8 "[ * **** 1 -. * +]" 1
1305 1 83 VAL H 1 83 VAL HB . . 3.700 2.677 2.519 2.813 . 0 0 "[ . 1 . 2]" 1
1306 1 83 VAL H 1 83 VAL QG . . 3.530 2.870 2.693 3.014 . 0 0 "[ . 1 . 2]" 1
1307 1 83 VAL H 1 84 PHE H . . 4.590 4.125 3.910 4.317 . 0 0 "[ . 1 . 2]" 1
1308 1 83 VAL H 1 97 ILE MG . . 5.500 4.154 3.917 4.376 . 0 0 "[ . 1 . 2]" 1
1309 1 83 VAL HA 1 84 PHE H . . 3.050 2.214 2.057 2.285 . 0 0 "[ . 1 . 2]" 1
1310 1 83 VAL HA 1 84 PHE HA . . 4.670 4.500 4.405 4.577 . 0 0 "[ . 1 . 2]" 1
1311 1 83 VAL HA 1 95 VAL QG . . 4.930 3.752 3.275 4.060 . 0 0 "[ . 1 . 2]" 1
1312 1 83 VAL HA 1 96 PHE H . . 5.500 5.002 4.721 5.332 . 0 0 "[ . 1 . 2]" 1
1313 1 83 VAL HA 1 97 ILE HA . . 4.180 3.391 2.891 3.873 . 0 0 "[ . 1 . 2]" 1
1314 1 83 VAL HA 1 97 ILE HB . . 5.500 4.615 4.272 4.973 . 0 0 "[ . 1 . 2]" 1
1315 1 83 VAL HA 1 97 ILE MG . . 3.650 2.073 1.902 2.301 . 0 0 "[ . 1 . 2]" 1
1316 1 83 VAL HB 1 84 PHE H . . 5.100 4.367 4.172 4.514 . 0 0 "[ . 1 . 2]" 1
1317 1 83 VAL QG 1 84 PHE H . . 3.770 2.973 2.731 3.264 . 0 0 "[ . 1 . 2]" 1
1318 1 83 VAL QG 1 84 PHE HA . . 5.180 3.957 3.750 4.257 . 0 0 "[ . 1 . 2]" 1
1319 1 83 VAL QG 1 95 VAL QG . . 3.140 2.083 1.856 2.489 . 0 0 "[ . 1 . 2]" 1
1320 1 83 VAL QG 1 96 PHE H . . 5.280 3.918 3.439 4.356 . 0 0 "[ . 1 . 2]" 1
1321 1 84 PHE H 1 84 PHE QD . . 4.100 3.555 3.407 3.703 . 0 0 "[ . 1 . 2]" 1
1322 1 84 PHE H 1 85 ILE H . . 5.360 4.125 3.893 4.501 . 0 0 "[ . 1 . 2]" 1
1323 1 84 PHE H 1 97 ILE HA . . 4.940 2.716 2.505 2.860 . 0 0 "[ . 1 . 2]" 1
1324 1 84 PHE H 1 97 ILE MD . . 5.500 5.596 5.571 5.617 0.117 15 0 "[ . 1 . 2]" 1
1325 1 84 PHE H 1 97 ILE MG . . 5.500 2.864 2.747 3.246 . 0 0 "[ . 1 . 2]" 1
1326 1 84 PHE H 1 98 PRO HD3 . . 5.500 3.844 3.576 4.122 . 0 0 "[ . 1 . 2]" 1
1327 1 84 PHE HA 1 85 ILE H . . 3.150 2.176 2.059 2.307 . 0 0 "[ . 1 . 2]" 1
1328 1 84 PHE QD 1 85 ILE H . . 5.500 4.113 3.850 4.270 . 0 0 "[ . 1 . 2]" 1
1329 1 84 PHE QD 1 97 ILE HA . . 4.880 3.838 3.608 4.166 . 0 0 "[ . 1 . 2]" 1
1330 1 84 PHE QD 1 98 PRO HB3 . . 4.140 4.068 3.849 4.149 0.009 16 0 "[ . 1 . 2]" 1
1331 1 84 PHE QD 1 98 PRO HD3 . . 3.820 3.083 2.899 3.296 . 0 0 "[ . 1 . 2]" 1
1332 1 84 PHE QD 1 98 PRO HG3 . . 4.890 4.329 4.149 4.446 . 0 0 "[ . 1 . 2]" 1
1333 1 84 PHE QE 1 98 PRO HA . . 4.090 3.597 2.980 4.148 0.058 15 0 "[ . 1 . 2]" 1
1334 1 84 PHE QE 1 98 PRO HB3 . . 4.240 2.378 2.160 2.708 . 0 0 "[ . 1 . 2]" 1
1335 1 84 PHE QE 1 98 PRO HD3 . . 4.300 3.151 3.048 3.395 . 0 0 "[ . 1 . 2]" 1
1336 1 84 PHE QE 1 98 PRO HG3 . . 4.480 3.177 2.967 3.302 . 0 0 "[ . 1 . 2]" 1
1337 1 85 ILE H 1 85 ILE HB . . 3.700 2.601 2.428 2.789 . 0 0 "[ . 1 . 2]" 1
1338 1 85 ILE H 1 85 ILE MD . . 4.290 3.815 3.670 4.144 . 0 0 "[ . 1 . 2]" 1
1339 1 85 ILE H 1 85 ILE HG13 . . 4.340 2.452 2.151 2.918 . 0 0 "[ . 1 . 2]" 1
1340 1 85 ILE HA 1 85 ILE MD . . 4.140 3.929 3.840 3.974 . 0 0 "[ . 1 . 2]" 1
1341 1 85 ILE HA 1 85 ILE HG13 . . 4.220 3.218 2.777 3.445 . 0 0 "[ . 1 . 2]" 1
1342 1 85 ILE HA 1 85 ILE MG . . 3.360 2.361 2.222 2.486 . 0 0 "[ . 1 . 2]" 1
1343 1 85 ILE HA 1 86 GLU H . . 3.030 2.210 2.072 2.290 . 0 0 "[ . 1 . 2]" 1
1344 1 85 ILE HA 1 93 VAL QG . . 4.870 4.531 3.868 4.891 0.021 7 0 "[ . 1 . 2]" 1
1345 1 85 ILE HA 1 95 VAL HA . . 3.600 2.724 2.338 3.476 . 0 0 "[ . 1 . 2]" 1
1346 1 85 ILE HA 1 96 PHE H . . 5.220 3.366 3.023 3.893 . 0 0 "[ . 1 . 2]" 1
1347 1 85 ILE HB 1 85 ILE MD . . 3.540 2.447 2.311 2.552 . 0 0 "[ . 1 . 2]" 1
1348 1 85 ILE MD 1 85 ILE MG . . 3.220 2.096 2.020 2.144 . 0 0 "[ . 1 . 2]" 1
1349 1 85 ILE HG13 1 86 GLU H . . 5.500 5.259 4.958 5.382 . 0 0 "[ . 1 . 2]" 1
1350 1 85 ILE MG 1 86 GLU H . . 3.720 2.748 2.393 3.118 . 0 0 "[ . 1 . 2]" 1
1351 1 85 ILE MG 1 86 GLU HG3 . . 5.500 5.358 4.947 5.596 0.096 7 0 "[ . 1 . 2]" 1
1352 1 85 ILE MG 1 87 LEU H . . 5.500 5.323 4.856 5.593 0.093 20 0 "[ . 1 . 2]" 1
1353 1 85 ILE MG 1 93 VAL HA . . 5.500 4.564 3.740 5.262 . 0 0 "[ . 1 . 2]" 1
1354 1 85 ILE MG 1 95 VAL HA . . 4.090 3.842 3.430 4.175 0.085 20 0 "[ . 1 . 2]" 1
1355 1 85 ILE MG 1 95 VAL QG . . 4.630 3.173 2.303 4.206 . 0 0 "[ . 1 . 2]" 1
1356 1 85 ILE MG 1 96 PHE H . . 5.500 5.031 4.693 5.348 . 0 0 "[ . 1 . 2]" 1
1357 1 86 GLU H 1 86 GLU HG3 . . 4.790 3.239 2.881 3.629 . 0 0 "[ . 1 . 2]" 1
1358 1 86 GLU H 1 87 LEU H . . 4.310 4.288 4.182 4.365 0.055 9 0 "[ . 1 . 2]" 1
1359 1 86 GLU H 1 93 VAL HA . . 5.340 5.108 4.785 5.384 0.044 6 0 "[ . 1 . 2]" 1
1360 1 86 GLU H 1 93 VAL QG . . 4.720 4.086 3.195 4.658 . 0 0 "[ . 1 . 2]" 1
1361 1 86 GLU H 1 94 GLN H . . 4.110 3.901 3.519 4.182 0.072 18 0 "[ . 1 . 2]" 1
1362 1 86 GLU H 1 95 VAL HA . . 4.310 3.349 2.824 4.039 . 0 0 "[ . 1 . 2]" 1
1363 1 86 GLU H 1 96 PHE H . . 5.500 4.011 3.452 4.730 . 0 0 "[ . 1 . 2]" 1
1364 1 86 GLU HA 1 87 LEU H . . 3.050 2.572 2.330 2.788 . 0 0 "[ . 1 . 2]" 1
1365 1 86 GLU HA 1 87 LEU HB3 . . 5.370 5.740 5.502 5.924 0.554 10 2 "[ -. + . 2]" 1
1366 1 86 GLU HB3 1 87 LEU H . . 3.840 3.353 2.036 3.933 0.093 13 0 "[ . 1 . 2]" 1
1367 1 86 GLU HG3 1 87 LEU H . . 4.650 3.887 3.250 4.826 0.176 6 0 "[ . 1 . 2]" 1
1368 1 87 LEU H 1 87 LEU HB3 . . 3.870 3.731 3.500 3.909 0.039 6 0 "[ . 1 . 2]" 1
1369 1 87 LEU H 1 87 LEU QD . . 3.750 2.958 1.783 3.430 . 0 0 "[ . 1 . 2]" 1
1370 1 87 LEU H 1 87 LEU HG . . 3.810 2.894 2.175 3.904 0.094 13 0 "[ . 1 . 2]" 1
1371 1 87 LEU H 1 88 ASP H . . 4.840 4.500 4.390 4.667 . 0 0 "[ . 1 . 2]" 1
1372 1 87 LEU HA 1 87 LEU QD . . 3.090 2.339 2.197 2.436 . 0 0 "[ . 1 . 2]" 1
1373 1 87 LEU HA 1 88 ASP H . . 3.020 2.352 2.087 2.534 . 0 0 "[ . 1 . 2]" 1
1374 1 87 LEU HA 1 93 VAL HA . . 3.390 2.770 2.097 3.309 . 0 0 "[ . 1 . 2]" 1
1375 1 87 LEU HA 1 93 VAL QG . . 5.500 3.750 3.238 4.324 . 0 0 "[ . 1 . 2]" 1
1376 1 87 LEU HB3 1 88 ASP H . . 3.960 2.543 2.158 2.980 . 0 0 "[ . 1 . 2]" 1
1377 1 87 LEU HB3 1 91 ALA HA . . 3.420 2.234 2.035 2.697 . 0 0 "[ . 1 . 2]" 1
1378 1 87 LEU HB3 1 92 ASP H . . 4.770 3.337 2.986 3.605 . 0 0 "[ . 1 . 2]" 1
1379 1 87 LEU QD 1 88 ASP H . . 3.950 3.706 3.414 3.870 . 0 0 "[ . 1 . 2]" 1
1380 1 87 LEU QD 1 91 ALA H . . 5.080 4.372 3.661 4.745 . 0 0 "[ . 1 . 2]" 1
1381 1 87 LEU QD 1 91 ALA HA . . 3.910 2.730 2.102 3.351 . 0 0 "[ . 1 . 2]" 1
1382 1 87 LEU QD 1 91 ALA MB . . 3.720 2.412 2.005 3.505 . 0 0 "[ . 1 . 2]" 1
1383 1 87 LEU QD 1 92 ASP H . . 4.760 4.001 3.621 4.463 . 0 0 "[ . 1 . 2]" 1
1384 1 87 LEU QD 1 93 VAL HA . . 3.440 2.484 1.958 3.506 0.066 13 0 "[ . 1 . 2]" 1
1385 1 87 LEU QD 1 93 VAL QG . . 4.130 2.314 1.972 3.396 . 0 0 "[ . 1 . 2]" 1
1386 1 87 LEU QD 1 94 GLN H . . 4.220 3.531 2.754 4.219 . 0 0 "[ . 1 . 2]" 1
1387 1 87 LEU HG 1 88 ASP H . . 5.500 4.792 3.465 5.186 . 0 0 "[ . 1 . 2]" 1
1388 1 87 LEU HG 1 91 ALA HA . . 5.380 4.360 2.742 5.372 . 0 0 "[ . 1 . 2]" 1
1389 1 87 LEU HG 1 93 VAL HA . . 5.500 4.582 3.650 5.333 . 0 0 "[ . 1 . 2]" 1
1390 1 87 LEU HG 1 94 GLN H . . 5.500 5.375 4.899 5.581 0.081 18 0 "[ . 1 . 2]" 1
1391 1 88 ASP H 1 88 ASP HB3 . . 3.900 3.193 2.613 3.604 . 0 0 "[ . 1 . 2]" 1
1392 1 88 ASP H 1 89 GLU H . . 5.500 4.323 4.208 4.571 . 0 0 "[ . 1 . 2]" 1
1393 1 88 ASP H 1 91 ALA H . . 4.680 3.898 3.547 4.326 . 0 0 "[ . 1 . 2]" 1
1394 1 88 ASP H 1 91 ALA HA . . 4.680 3.552 3.187 4.020 . 0 0 "[ . 1 . 2]" 1
1395 1 88 ASP H 1 92 ASP H . . 3.780 2.808 2.277 3.152 . 0 0 "[ . 1 . 2]" 1
1396 1 88 ASP H 1 92 ASP HB3 . . 5.330 4.690 3.548 5.201 . 0 0 "[ . 1 . 2]" 1
1397 1 88 ASP H 1 94 GLN HB3 . . 5.500 5.582 4.963 6.748 1.248 5 4 "[ + *1 - . *2]" 1
1398 1 88 ASP H 1 94 GLN HE21 . . 5.500 3.271 2.083 4.292 . 0 0 "[ . 1 . 2]" 1
1399 1 88 ASP H 1 94 GLN HE22 . . 5.500 4.734 2.436 5.570 0.070 20 0 "[ . 1 . 2]" 1
1400 1 88 ASP H 1 94 GLN HG3 . . 5.150 4.381 3.123 6.197 1.047 19 2 "[ . 1 - . +2]" 1
1401 1 88 ASP HA 1 89 GLU HA . . 5.500 4.616 4.113 4.838 . 0 0 "[ . 1 . 2]" 1
1402 1 88 ASP HB3 1 89 GLU H . . 4.240 2.835 2.376 3.362 . 0 0 "[ . 1 . 2]" 1
1403 1 88 ASP HB3 1 94 GLN HE21 . . 5.500 3.792 2.831 4.699 . 0 0 "[ . 1 . 2]" 1
1404 1 88 ASP HB3 1 94 GLN HG3 . . 4.150 3.078 2.055 4.860 0.710 9 2 "[ . +1 . - 2]" 1
1405 1 89 GLU H 1 90 ASN H . . 3.860 3.712 2.627 3.949 0.089 13 0 "[ . 1 . 2]" 1
1406 1 89 GLU H 1 91 ALA H . . 5.040 4.484 4.187 5.049 0.009 15 0 "[ . 1 . 2]" 1
1407 1 89 GLU HA 1 91 ALA H . . 5.130 4.726 3.765 5.125 . 0 0 "[ . 1 . 2]" 1
1408 1 90 ASN H 1 90 ASN HD22 . . 5.300 4.031 3.236 4.707 . 0 0 "[ . 1 . 2]" 1
1409 1 90 ASN H 1 91 ALA HA . . 4.780 4.190 3.822 4.848 0.068 5 0 "[ . 1 . 2]" 1
1410 1 90 ASN H 1 91 ALA MB . . 5.500 4.604 4.396 5.103 . 0 0 "[ . 1 . 2]" 1
1411 1 90 ASN HA 1 90 ASN HD22 . . 5.500 4.833 4.114 5.245 . 0 0 "[ . 1 . 2]" 1
1412 1 90 ASN HA 1 91 ALA MB . . 4.960 4.068 3.665 4.304 . 0 0 "[ . 1 . 2]" 1
1413 1 90 ASN HB3 1 90 ASN HD21 . . 3.580 3.080 2.316 3.493 . 0 0 "[ . 1 . 2]" 1
1414 1 90 ASN HB3 1 90 ASN HD22 . . 4.000 3.886 3.554 4.074 0.074 20 0 "[ . 1 . 2]" 1
1415 1 90 ASN HB3 1 91 ALA MB . . 5.500 5.049 4.277 5.659 0.159 9 0 "[ . 1 . 2]" 1
1416 1 91 ALA H 1 91 ALA MB . . 3.310 2.961 2.811 3.127 . 0 0 "[ . 1 . 2]" 1
1417 1 91 ALA MB 1 92 ASP H . . 4.530 3.731 3.664 3.778 . 0 0 "[ . 1 . 2]" 1
1418 1 92 ASP H 1 92 ASP HB3 . . 3.210 3.473 2.428 3.684 0.474 15 0 "[ . 1 . 2]" 1
1419 1 92 ASP H 1 93 VAL HA . . 5.470 4.942 4.312 5.313 . 0 0 "[ . 1 . 2]" 1
1420 1 92 ASP H 1 94 GLN HE21 . . 5.500 3.839 3.245 4.817 . 0 0 "[ . 1 . 2]" 1
1421 1 92 ASP H 1 94 GLN HE22 . . 5.500 4.877 3.111 5.563 0.063 17 0 "[ . 1 . 2]" 1
1422 1 92 ASP HA 1 93 VAL H . . 2.860 2.419 2.179 2.804 . 0 0 "[ . 1 . 2]" 1
1423 1 92 ASP HA 1 93 VAL QG . . 3.900 3.295 2.710 3.748 . 0 0 "[ . 1 . 2]" 1
1424 1 92 ASP HA 1 94 GLN HE22 . . 5.500 4.975 4.504 5.437 . 0 0 "[ . 1 . 2]" 1
1425 1 92 ASP HB3 1 93 VAL H . . 4.030 2.736 1.935 3.686 . 0 0 "[ . 1 . 2]" 1
1426 1 92 ASP HB3 1 93 VAL HA . . 4.990 4.651 4.321 5.029 0.039 18 0 "[ . 1 . 2]" 1
1427 1 92 ASP HB3 1 94 GLN H . . 5.500 5.287 4.809 5.790 0.290 10 0 "[ . 1 . 2]" 1
1428 1 92 ASP HB3 1 94 GLN HE21 . . 4.530 2.697 2.138 3.611 . 0 0 "[ . 1 . 2]" 1
1429 1 92 ASP HB3 1 94 GLN HE22 . . 4.260 2.755 2.145 4.152 . 0 0 "[ . 1 . 2]" 1
1430 1 93 VAL H 1 93 VAL HB . . 3.180 2.660 2.498 2.873 . 0 0 "[ . 1 . 2]" 1
1431 1 93 VAL H 1 93 VAL QG . . 3.190 2.243 2.014 2.622 . 0 0 "[ . 1 . 2]" 1
1432 1 93 VAL H 1 94 GLN H . . 4.580 4.354 3.843 4.585 0.005 6 0 "[ . 1 . 2]" 1
1433 1 93 VAL H 1 94 GLN HE21 . . 5.500 3.879 3.033 4.660 . 0 0 "[ . 1 . 2]" 1
1434 1 93 VAL HA 1 93 VAL QG . . 3.340 2.114 2.038 2.329 . 0 0 "[ . 1 . 2]" 1
1435 1 93 VAL HA 1 94 GLN H . . 2.890 2.120 1.976 2.211 . 0 0 "[ . 1 . 2]" 1
1436 1 93 VAL HA 1 94 GLN HG3 . . 5.490 5.775 5.435 6.488 0.998 19 2 "[ . 1 - . +2]" 1
1437 1 93 VAL HB 1 94 GLN H . . 4.540 4.283 3.819 4.508 . 0 0 "[ . 1 . 2]" 1
1438 1 93 VAL QG 1 94 GLN H . . 3.590 2.896 2.385 3.407 . 0 0 "[ . 1 . 2]" 1
1439 1 93 VAL QG 1 94 GLN HA . . 4.660 3.871 3.433 4.195 . 0 0 "[ . 1 . 2]" 1
1440 1 93 VAL QG 1 94 GLN HB3 . . 5.500 5.312 4.680 5.669 0.169 13 0 "[ . 1 . 2]" 1
1441 1 93 VAL QG 1 94 GLN HE21 . . 5.500 4.699 4.264 5.449 . 0 0 "[ . 1 . 2]" 1
1442 1 93 VAL QG 1 95 VAL H . . 5.500 5.154 4.845 5.382 . 0 0 "[ . 1 . 2]" 1
1443 1 94 GLN H 1 94 GLN HE22 . . 5.500 4.817 4.314 5.499 . 0 0 "[ . 1 . 2]" 1
1444 1 94 GLN H 1 94 GLN HG3 . . 4.580 4.174 3.555 4.732 0.152 19 0 "[ . 1 . 2]" 1
1445 1 94 GLN HA 1 94 GLN HE21 . . 5.500 4.054 3.416 4.852 . 0 0 "[ . 1 . 2]" 1
1446 1 94 GLN HA 1 95 VAL H . . 3.200 2.631 2.218 2.919 . 0 0 "[ . 1 . 2]" 1
1447 1 94 GLN HA 1 95 VAL QG . . 4.040 3.351 2.939 3.743 . 0 0 "[ . 1 . 2]" 1
1448 1 94 GLN HB3 1 94 GLN HE22 . . 5.250 4.730 3.639 5.224 . 0 0 "[ . 1 . 2]" 1
1449 1 94 GLN HB3 1 95 VAL H . . 3.850 2.331 1.974 3.689 . 0 0 "[ . 1 . 2]" 1
1450 1 94 GLN HE22 1 94 GLN HG3 . . 3.820 3.999 3.806 4.114 0.294 19 0 "[ . 1 . 2]" 1
1451 1 94 GLN HG3 1 95 VAL H . . 4.710 4.229 3.283 4.596 . 0 0 "[ . 1 . 2]" 1
1452 1 95 VAL H 1 95 VAL HB . . 3.320 2.958 2.634 3.405 0.085 13 0 "[ . 1 . 2]" 1
1453 1 95 VAL H 1 95 VAL QG . . 3.470 2.807 1.970 3.080 . 0 0 "[ . 1 . 2]" 1
1454 1 95 VAL H 1 96 PHE H . . 5.210 4.171 3.747 4.352 . 0 0 "[ . 1 . 2]" 1
1455 1 95 VAL H 1 96 PHE QD . . 5.500 5.508 5.270 5.586 0.086 13 0 "[ . 1 . 2]" 1
1456 1 95 VAL HA 1 95 VAL QG . . 3.320 2.160 2.071 2.206 . 0 0 "[ . 1 . 2]" 1
1457 1 95 VAL HA 1 96 PHE H . . 3.090 2.169 2.039 2.297 . 0 0 "[ . 1 . 2]" 1
1458 1 95 VAL HB 1 96 PHE H . . 5.080 4.078 3.946 4.394 . 0 0 "[ . 1 . 2]" 1
1459 1 95 VAL QG 1 96 PHE H . . 3.660 2.563 2.281 3.252 . 0 0 "[ . 1 . 2]" 1
1460 1 95 VAL QG 1 97 ILE MD . . 4.520 4.504 4.174 4.568 0.048 7 0 "[ . 1 . 2]" 1
1461 1 96 PHE H 1 96 PHE QD . . 4.610 4.322 4.242 4.439 . 0 0 "[ . 1 . 2]" 1
1462 1 96 PHE H 1 97 ILE H . . 5.500 4.432 4.362 4.627 . 0 0 "[ . 1 . 2]" 1
1463 1 96 PHE HA 1 96 PHE QD . . 3.450 2.663 2.368 3.120 . 0 0 "[ . 1 . 2]" 1
1464 1 96 PHE HA 1 97 ILE H . . 3.130 2.492 2.417 2.565 . 0 0 "[ . 1 . 2]" 1
1465 1 96 PHE HA 1 97 ILE MD . . 5.470 4.821 4.573 4.983 . 0 0 "[ . 1 . 2]" 1
1466 1 96 PHE HA 1 97 ILE HG13 . . 4.280 4.330 4.036 4.358 0.078 6 0 "[ . 1 . 2]" 1
1467 1 96 PHE QD 1 97 ILE H . . 4.700 2.734 2.331 3.010 . 0 0 "[ . 1 . 2]" 1
1468 1 96 PHE QD 1 97 ILE HG13 . . 5.500 4.887 4.635 5.060 . 0 0 "[ . 1 . 2]" 1
1469 1 96 PHE QD 1 97 ILE MG . . 5.000 4.944 4.710 5.073 0.073 1 0 "[ . 1 . 2]" 1
1470 1 96 PHE QD 1 98 PRO HA . . 5.030 4.487 3.999 5.059 0.029 6 0 "[ . 1 . 2]" 1
1471 1 96 PHE QD 1 98 PRO HD3 . . 4.250 4.284 3.898 4.345 0.095 7 0 "[ . 1 . 2]" 1
1472 1 97 ILE H 1 97 ILE HB . . 4.180 3.801 3.617 3.867 . 0 0 "[ . 1 . 2]" 1
1473 1 97 ILE H 1 97 ILE MD . . 5.440 4.157 4.061 4.224 . 0 0 "[ . 1 . 2]" 1
1474 1 97 ILE H 1 97 ILE HG13 . . 5.500 2.788 2.692 2.879 . 0 0 "[ . 1 . 2]" 1
1475 1 97 ILE HA 1 97 ILE MD . . 4.520 4.191 4.159 4.234 . 0 0 "[ . 1 . 2]" 1
1476 1 97 ILE HA 1 97 ILE MG . . 3.460 2.138 2.083 2.224 . 0 0 "[ . 1 . 2]" 1
1477 1 97 ILE HA 1 98 PRO HA . . 4.380 4.449 4.436 4.459 0.079 2 0 "[ . 1 . 2]" 1
1478 1 97 ILE HA 1 98 PRO HD3 . . 3.460 2.372 2.295 2.496 . 0 0 "[ . 1 . 2]" 1
1479 1 97 ILE HB 1 98 PRO HA . . 5.430 4.659 4.502 4.814 . 0 0 "[ . 1 . 2]" 1
1480 1 97 ILE HB 1 98 PRO HD3 . . 5.010 4.015 3.856 4.183 . 0 0 "[ . 1 . 2]" 1
1481 1 97 ILE HB 1 99 GLN H . . 5.500 4.821 3.502 5.322 . 0 0 "[ . 1 . 2]" 1
1482 1 97 ILE MD 1 97 ILE MG . . 3.340 2.071 2.005 2.124 . 0 0 "[ . 1 . 2]" 1
1483 1 97 ILE MD 1 99 GLN QE . . 5.500 3.107 2.773 3.588 . 0 0 "[ . 1 . 2]" 1
1484 1 97 ILE MG 1 98 PRO HD3 . . 4.400 3.702 3.387 4.083 . 0 0 "[ . 1 . 2]" 1
1485 1 97 ILE MG 1 99 GLN QE . . 4.390 4.183 3.968 4.316 . 0 0 "[ . 1 . 2]" 1
1486 1 98 PRO HA 1 99 GLN H . . 2.880 2.227 2.156 2.353 . 0 0 "[ . 1 . 2]" 1
1487 1 98 PRO HA 1 99 GLN HB3 . . 4.770 5.777 5.583 5.930 1.160 1 20 [+-******************] 1
1488 1 98 PRO HD3 1 99 GLN H . . 5.500 5.447 4.978 5.574 0.074 6 0 "[ . 1 . 2]" 1
1489 1 99 GLN H 1 99 GLN HB3 . . 3.890 3.737 3.592 3.792 . 0 0 "[ . 1 . 2]" 1
1490 1 99 GLN H 1 99 GLN QE . . 5.500 4.313 4.063 4.875 . 0 0 "[ . 1 . 2]" 1
1491 1 99 GLN H 1 100 GLY H . . 4.680 4.365 4.253 4.601 . 0 0 "[ . 1 . 2]" 1
1492 1 99 GLN H 1 100 GLY QA . . 5.500 4.475 4.245 5.034 . 0 0 "[ . 1 . 2]" 1
1493 1 99 GLN H 1 102 ILE MG . . 5.500 4.990 3.778 5.595 0.095 18 0 "[ . 1 . 2]" 1
1494 1 99 GLN HA 1 99 GLN QE . . 3.790 2.652 2.236 3.141 . 0 0 "[ . 1 . 2]" 1
1495 1 99 GLN HA 1 100 GLY H . . 3.070 2.662 2.328 2.893 . 0 0 "[ . 1 . 2]" 1
1496 1 99 GLN HA 1 100 GLY HA2 . . 4.940 4.683 4.254 4.898 . 0 0 "[ . 1 . 2]" 1
1497 1 99 GLN HB3 1 100 GLY H . . 3.890 2.189 1.978 2.683 . 0 0 "[ . 1 . 2]" 1
1498 1 99 GLN HB3 1 102 ILE MD . . 5.500 3.547 2.485 5.008 . 0 0 "[ . 1 . 2]" 1
1499 1 99 GLN QE 1 100 GLY H . . 5.160 4.504 3.345 4.738 . 0 0 "[ . 1 . 2]" 1
1500 1 100 GLY H 1 101 GLU HA . . 4.620 4.553 4.279 4.701 0.081 8 0 "[ . 1 . 2]" 1
1501 1 100 GLY H 1 102 ILE H . . 3.790 3.770 3.105 3.874 0.084 10 0 "[ . 1 . 2]" 1
1502 1 100 GLY H 1 102 ILE MG . . 5.270 3.128 2.099 4.462 . 0 0 "[ . 1 . 2]" 1
1503 1 100 GLY QA 1 101 GLU H . . 3.060 2.520 2.185 2.881 . 0 0 "[ . 1 . 2]" 1
1504 1 100 GLY HA3 1 101 GLU H . . 3.000 2.601 2.245 3.073 0.073 13 0 "[ . 1 . 2]" 1
1505 1 100 GLY HA3 1 102 ILE MG . . 5.340 4.635 3.478 5.418 0.078 13 0 "[ . 1 . 2]" 1
1506 1 101 GLU HA 1 102 ILE H . . 2.910 2.545 2.328 2.973 0.063 4 0 "[ . 1 . 2]" 1
1507 1 102 ILE H 1 102 ILE HB . . 3.720 3.491 2.738 3.802 0.082 20 0 "[ . 1 . 2]" 1
1508 1 102 ILE H 1 102 ILE HG13 . . 4.250 3.657 2.342 4.513 0.263 10 0 "[ . 1 . 2]" 1
1509 1 102 ILE H 1 102 ILE MG . . 4.330 2.659 1.826 3.474 . 0 0 "[ . 1 . 2]" 1
1510 1 102 ILE H 1 103 ASP H . . 3.840 3.375 2.357 3.923 0.083 6 0 "[ . 1 . 2]" 1
1511 1 102 ILE HA 1 102 ILE MG . . 3.670 2.733 2.103 3.288 . 0 0 "[ . 1 . 2]" 1
1512 1 102 ILE HA 1 103 ASP H . . 3.040 2.365 1.973 2.982 . 0 0 "[ . 1 . 2]" 1
1513 1 102 ILE HB 1 103 ASP H . . 4.570 4.311 3.431 4.500 . 0 0 "[ . 1 . 2]" 1
1514 1 102 ILE MD 1 102 ILE MG . . 2.400 2.177 2.031 2.367 . 0 0 "[ . 1 . 2]" 1
1515 1 102 ILE HG13 1 103 ASP H . . 5.500 4.119 2.792 5.562 0.062 20 0 "[ . 1 . 2]" 1
1516 1 102 ILE MG 1 103 ASP H . . 4.750 4.243 3.663 4.448 . 0 0 "[ . 1 . 2]" 1
1517 1 102 ILE MG 1 103 ASP HA . . 5.500 5.196 4.124 5.621 0.121 11 0 "[ . 1 . 2]" 1
1518 1 103 ASP H 1 103 ASP HB3 . . 3.830 3.147 2.389 4.069 0.239 13 0 "[ . 1 . 2]" 1
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