NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382477 |
1jh4   |
5084 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jh4
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 1122
_Distance_constraint_stats_list.Viol_count 4495
_Distance_constraint_stats_list.Viol_total 21641.992
_Distance_constraint_stats_list.Viol_max 1.366
_Distance_constraint_stats_list.Viol_rms 0.0860
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0214
_Distance_constraint_stats_list.Viol_average_violations_only 0.1605
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 LEU 13.184 0.704 26 5 "[* . 1 *- * .+ 3]"
1 8 THR 63.238 1.366 13 30 [***-********+*****************]
1 9 ALA 8.347 0.393 20 0 "[ . 1 . 2 . 3]"
1 10 SER 16.410 0.711 14 10 "[ -. * +** * *.* * *]"
1 11 MET 5.994 0.225 12 0 "[ . 1 . 2 . 3]"
1 12 LEU 17.512 0.360 15 0 "[ . 1 . 2 . 3]"
1 13 ALA 3.040 0.186 15 0 "[ . 1 . 2 . 3]"
1 14 SER 3.035 0.186 15 0 "[ . 1 . 2 . 3]"
1 15 ALA 11.063 0.360 15 0 "[ . 1 . 2 . 3]"
1 18 GLN 14.881 0.998 6 6 "[ * .+ ** - . 2 * . 3]"
1 19 GLU 25.390 0.842 9 21 "[ ** *** +**** .-***** *** **]"
1 20 GLN 42.175 0.998 6 19 "[*** *+ *-**** ****** * *. 3]"
1 21 LYS 68.567 0.998 18 24 "[*** ****-*** ***+**** *** **]"
1 22 GLN 16.246 0.930 6 3 "[ .+ 1 . -* . 3]"
1 23 MET 21.675 0.792 19 20 "[ * *** **** *-**+** *** **]"
1 24 LEU 15.981 0.942 24 12 "[ ** * **1-** .** *2 +. 3]"
1 25 GLY 32.498 0.582 27 7 "[ *.* *-1 *. 2 . + *3]"
1 26 GLU 6.651 0.317 27 0 "[ . 1 . 2 . 3]"
1 27 ARG 39.102 0.998 18 10 "[* - * 1 ** . *+** . *]"
1 28 LEU 7.431 0.344 13 0 "[ . 1 . 2 . 3]"
1 29 PHE 51.919 0.915 21 15 "[ *.**-*1 ** * *+* * ***3]"
1 30 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 31 LEU 11.379 0.499 21 0 "[ . 1 . 2 . 3]"
1 32 ILE 25.205 0.807 26 12 "[* *.** * . ***- .+* *]"
1 33 GLN 35.538 1.366 13 24 "[*** ********+ * **-2***** ***3]"
1 34 ALA 19.806 0.631 25 8 "[ * . -1** .* *2 *+ 3]"
1 35 MET 18.027 0.397 2 0 "[ . 1 . 2 . 3]"
1 36 HIS 59.427 0.631 25 15 "[** . **** .* *2* **+** -3]"
1 38 THR 42.422 0.941 17 19 "[- * *** *** **+ *****.* * *]"
1 39 LEU 23.286 0.706 20 3 "[* . 1 .- + . 3]"
1 40 ALA 73.295 1.366 13 27 "[*** ********+ **************-3]"
1 41 GLY 11.022 0.545 10 5 "[ . * + . * -* 3]"
1 42 LYS 7.467 0.520 15 1 "[ . 1 + 2 . 3]"
1 43 ILE 37.250 0.807 26 12 "[* *.** * . ***- .+* *]"
1 44 THR 20.215 0.915 21 14 "[ *.**-*1 *. * *+* * ***3]"
1 45 GLY 1.068 0.289 23 0 "[ . 1 . 2 . 3]"
1 46 MET 29.370 0.942 24 22 "[ ** ******-** .** *****+.* * *]"
1 47 LEU 44.504 0.666 19 3 "[- . * . +2 . 3]"
1 48 LEU 11.431 0.332 4 0 "[ . 1 . 2 . 3]"
1 49 GLU 9.683 0.677 1 6 "[+* .* * 1 . 2 - . * 3]"
1 50 ILE 22.695 0.942 24 12 "[ ** * **1-** .** *2 +. 3]"
1 51 ASP 21.694 0.773 9 8 "[ * . * +- *.** 2 *. 3]"
1 52 ASN 28.542 0.492 5 0 "[ . 1 . 2 . 3]"
1 53 SER 21.324 0.897 16 12 "[****.* **1* * .+* 2 - . 3]"
1 54 GLU 18.259 0.713 21 11 "[ * * * *- *.** *2+ *. 3]"
1 55 LEU 31.578 0.942 24 13 "[ ** * **1*** .** *- +. 3]"
1 56 LEU 2.768 0.365 3 0 "[ . 1 . 2 . 3]"
1 57 HIS 7.953 0.713 21 4 "[ * 1 . *2+ . -3]"
1 58 MET 7.199 0.503 29 1 "[ . 1 . 2 . +3]"
1 59 LEU 18.031 0.830 5 4 "[ + 1 * .* 2 - . 3]"
1 60 GLU 15.761 0.945 3 14 "[ +*- *** ** *2* **.* * 3]"
1 61 SER 8.727 0.713 21 5 "[ * 1 . *2+ * . -3]"
1 63 GLU 4.809 0.341 24 0 "[ . 1 . 2 . 3]"
1 64 SER 3.491 0.156 21 0 "[ . 1 . 2 . 3]"
1 65 LEU 19.762 0.493 1 0 "[ . 1 . 2 . 3]"
1 66 ARG 19.732 0.998 18 6 "[ * 1 * . + * * . *]"
1 67 SER 12.503 0.998 18 6 "[ * 1 * . + * * . *]"
1 68 LYS 4.792 0.301 18 0 "[ . 1 . 2 . 3]"
1 69 VAL 42.223 0.528 10 2 "[- . + . 2 . 3]"
1 70 ASP 10.672 0.414 13 0 "[ . 1 . 2 . 3]"
1 71 GLU 19.582 0.806 16 8 "[ * . -1** .+ *2 ** 3]"
1 72 ALA 0.678 0.054 8 0 "[ . 1 . 2 . 3]"
1 73 VAL 7.041 0.365 3 0 "[ . 1 . 2 . 3]"
1 74 ALA 5.061 0.341 24 0 "[ . 1 . 2 . 3]"
1 75 VAL 31.146 0.942 24 12 "[ ** * **1-** .** *2 +. 3]"
1 76 LEU 32.577 0.844 15 10 "[** . -1** +* *2 ** 3]"
1 77 GLN 8.376 0.548 1 1 "[+ . 1 . 2 . 3]"
1 78 ALA 1.934 0.365 3 0 "[ . 1 . 2 . 3]"
1 79 HIS 49.007 0.654 17 16 "[*** *- * *****.*+ 2 ** *3]"
1 81 ALA 0.025 0.019 16 0 "[ . 1 . 2 . 3]"
1 82 LYS 3.452 0.315 9 0 "[ . 1 . 2 . 3]"
2 5 LYS 4.931 0.181 18 0 "[ . 1 . 2 . 3]"
2 6 LEU 5.041 0.806 16 1 "[ . 1 .+ 2 . 3]"
2 7 SER 7.216 0.666 19 1 "[ . 1 . +2 . 3]"
2 8 VAL 16.384 0.516 1 1 "[+ . 1 . 2 . 3]"
2 9 ASN 26.836 0.654 17 15 "[ ** *- * *****.*+ 2 ** *3]"
2 10 ALA 5.030 0.666 19 1 "[ . 1 . +2 . 3]"
2 12 GLU 0.588 0.370 21 0 "[ . 1 . 2 . 3]"
2 13 PHE 30.290 0.807 26 13 "[* *.** * . **** -+* *]"
2 14 TYR 7.956 0.397 2 0 "[ . 1 . 2 . 3]"
2 15 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 16 SER 16.561 0.397 2 0 "[ . 1 . 2 . 3]"
2 17 GLY 4.969 0.301 18 0 "[ . 1 . 2 . 3]"
2 18 TYR 26.161 0.883 22 14 "[*** ** *-** * * * + . *3]"
2 19 SER 2.824 0.720 18 3 "[ . - . + 2 . *3]"
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 7 LEU H 1 7 LEU HA 2.500 . 3.300 2.916 2.877 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 7 LEU H 1 7 LEU HB2 2.300 . 3.000 2.211 2.097 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 7 LEU H 1 7 LEU HB3 2.500 . 3.300 3.269 3.072 3.449 0.149 10 0 "[ . 1 . 2 . 3]" 1
4 1 7 LEU H 1 7 LEU MD2 2.700 . 3.600 3.106 2.585 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 7 LEU H 1 8 THR H 3.500 . 5.000 4.508 4.403 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 7 LEU H 1 8 THR MG 3.100 . 5.500 4.830 4.585 5.182 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 7 LEU H 1 33 GLN QG 2.700 . 5.500 5.413 4.967 6.048 0.548 1 1 "[+ . 1 . 2 . 3]" 1
8 1 7 LEU HA 1 7 LEU HB2 2.300 . 3.000 2.866 2.779 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 7 LEU HA 1 7 LEU HB3 2.500 . 3.300 2.823 2.708 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 7 LEU HA 1 7 LEU MD1 2.200 . 2.800 2.179 1.862 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 7 LEU HA 1 7 LEU MD2 2.800 . 3.800 2.200 1.911 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 7 LEU HA 1 8 THR H 2.000 . 2.500 2.179 2.126 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 7 LEU HA 1 8 THR MG 2.100 . 5.500 3.588 3.217 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 7 LEU HA 1 11 MET H 3.900 . 5.500 5.224 5.113 5.457 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 7 LEU HB2 1 7 LEU MD2 1.900 . 2.400 2.361 2.193 2.469 0.069 10 0 "[ . 1 . 2 . 3]" 1
16 1 7 LEU HB2 1 8 THR H 3.200 . 4.500 4.391 4.237 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 7 LEU HB2 1 8 THR MG 2.400 . 5.500 5.724 5.513 6.204 0.704 26 4 "[ . 1 *- * .+ 3]" 1
18 1 7 LEU HB3 1 7 LEU MD1 1.900 . 2.400 1.780 1.531 1.945 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 7 LEU HB3 1 8 THR H 2.600 . 3.400 3.445 3.099 3.569 0.169 2 0 "[ . 1 . 2 . 3]" 1
20 1 7 LEU HB3 1 10 SER H 2.300 . 3.000 2.794 2.627 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 7 LEU HB3 1 11 MET H 2.700 . 5.500 3.423 3.226 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 7 LEU HB3 1 11 MET H 3.400 . 4.800 3.313 3.155 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 7 LEU MD1 1 8 THR H 2.600 . 3.400 2.288 1.877 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 7 LEU MD1 1 9 ALA H 2.700 . 3.600 2.391 1.874 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 7 LEU MD1 1 10 SER H 2.600 . 3.400 3.053 2.400 3.419 0.019 24 0 "[ . 1 . 2 . 3]" 1
26 1 7 LEU MD1 1 11 MET H 3.100 . 4.300 4.070 3.673 4.411 0.111 15 0 "[ . 1 . 2 . 3]" 1
27 1 7 LEU MD1 1 11 MET QG 3.200 . 5.500 4.277 3.656 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 7 LEU MD2 1 8 THR H 3.500 . 5.000 3.837 3.275 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 7 LEU MD2 1 9 ALA MB 2.400 . 5.500 4.659 4.281 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 7 LEU MD2 1 10 SER H 4.500 . 5.500 5.108 4.879 5.309 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 8 THR H 1 8 THR HA 2.900 . 4.000 2.886 2.878 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 8 THR H 1 8 THR MG 2.400 . 3.100 2.362 1.896 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 8 THR H 1 9 ALA H 3.700 . 5.400 2.392 2.324 2.477 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 8 THR H 1 10 SER H 3.200 . 4.500 4.583 4.540 4.642 0.142 30 0 "[ . 1 . 2 . 3]" 1
35 1 8 THR H 1 11 MET QB 4.000 . 5.000 4.290 4.040 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 8 THR H 1 11 MET QG 3.600 . 5.000 4.911 4.366 5.119 0.119 4 0 "[ . 1 . 2 . 3]" 1
37 1 8 THR HA 1 8 THR MG 2.100 . 2.700 2.453 2.213 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 8 THR HA 1 9 ALA H 2.100 . 5.500 3.531 3.495 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 8 THR HA 1 9 ALA MB 3.000 . 5.500 5.005 4.974 5.030 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 8 THR MG 1 9 ALA H 2.800 . 3.800 3.862 3.541 4.193 0.393 20 0 "[ . 1 . 2 . 3]" 1
41 1 8 THR MG 1 10 SER H 4.400 . 5.500 5.963 5.768 6.211 0.711 14 10 "[ -. * +** * *.* * *]" 1
42 1 8 THR MG 1 11 MET H 3.700 . 5.400 5.190 5.034 5.282 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 8 THR MG 1 11 MET QG 3.300 . 4.700 3.962 3.332 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 8 THR MG 1 27 ARG QD 4.000 . 5.500 5.683 4.938 6.394 0.894 19 6 "[* - * 1 * . * +2 . 3]" 1
45 1 8 THR MG 1 33 GLN H 2.500 . 5.500 5.265 5.001 5.536 0.036 22 0 "[ . 1 . 2 . 3]" 1
46 1 8 THR MG 1 33 GLN HG2 2.000 . 2.500 3.264 2.367 3.866 1.366 13 24 "[*** ********+ * **-2***** ***3]" 1
47 1 8 THR MG 1 34 ALA H 3.000 . 5.500 5.599 5.424 5.706 0.206 26 0 "[ . 1 . 2 . 3]" 1
48 1 9 ALA H 1 9 ALA HA 2.500 . 3.300 2.809 2.801 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 9 ALA H 1 9 ALA MB 2.100 . 2.700 2.136 2.026 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 9 ALA H 1 10 SER H 3.100 . 4.300 2.981 2.908 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 9 ALA H 1 11 MET H 3.900 . 5.500 3.765 3.716 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 9 ALA H 1 24 LEU MD2 3.200 . 4.500 3.767 3.433 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 9 ALA HA 1 9 ALA MB 2.000 . 2.500 2.114 2.092 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 9 ALA HA 1 10 SER H 2.500 . 5.500 3.568 3.556 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 9 ALA HA 1 12 LEU HB2 2.600 . 3.400 3.571 3.487 3.679 0.279 30 0 "[ . 1 . 2 . 3]" 1
56 1 9 ALA MB 1 10 SER H 2.500 . 3.300 2.059 1.913 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 10 SER H 1 10 SER HA 2.500 . 3.300 2.762 2.754 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 10 SER H 1 10 SER QB 3.000 . 4.100 2.331 2.032 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 10 SER H 1 11 MET H 2.300 . 3.000 2.822 2.790 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 10 SER HA 1 11 MET H 2.700 . 3.600 3.500 3.472 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 10 SER HA 1 13 ALA MB 2.900 . 4.000 2.864 2.673 3.114 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 10 SER QB 1 13 ALA H 2.900 . 5.500 5.063 4.826 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 11 MET H 1 11 MET HA 2.300 . 3.000 2.815 2.808 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 11 MET H 1 11 MET QB 2.200 . 2.800 2.080 2.008 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 11 MET H 1 11 MET QG 2.500 . 3.300 3.210 2.517 3.379 0.079 4 0 "[ . 1 . 2 . 3]" 1
66 1 11 MET H 1 11 MET QG 2.600 . 3.400 3.127 2.509 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 11 MET HA 1 12 LEU H 2.600 . 3.400 3.504 3.482 3.523 0.123 22 0 "[ . 1 . 2 . 3]" 1
68 1 11 MET HA 1 14 SER H 2.500 . 3.300 3.178 3.108 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 11 MET HA 1 15 ALA MB 3.000 . 5.500 5.342 5.158 5.565 0.065 15 0 "[ . 1 . 2 . 3]" 1
70 1 11 MET QB 1 12 LEU H 2.600 . 3.400 2.886 2.478 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 11 MET QB 1 12 LEU MD2 3.200 . 4.500 2.954 2.340 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 11 MET QB 1 13 ALA H 3.900 . 5.500 5.146 4.798 5.388 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 11 MET QB 1 24 LEU QD 3.300 . 4.700 2.567 1.675 3.307 0.225 12 0 "[ . 1 . 2 . 3]" 1
74 1 11 MET QB 1 29 PHE QD 2.600 . 5.500 5.347 4.764 5.556 0.056 4 0 "[ . 1 . 2 . 3]" 1
75 1 11 MET QG 1 12 LEU H 4.200 . 5.500 3.173 2.142 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 11 MET QG 1 12 LEU H 3.000 . 4.100 2.677 2.053 3.504 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 11 MET QG 1 12 LEU MD2 2.700 . 5.500 3.914 2.651 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 11 MET QG 1 13 ALA H 4.000 . 5.500 4.925 4.483 5.505 0.005 23 0 "[ . 1 . 2 . 3]" 1
79 1 11 MET QG 1 24 LEU QD 2.500 . 5.500 2.004 1.573 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 11 MET QG 1 29 PHE QE 3.200 . 5.500 4.776 4.228 5.459 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 12 LEU H 1 12 LEU HB2 2.000 . 2.500 2.121 2.065 2.179 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 12 LEU H 1 12 LEU MD2 2.600 . 3.400 3.410 3.233 3.497 0.097 12 0 "[ . 1 . 2 . 3]" 1
83 1 12 LEU H 1 12 LEU HG 2.700 . 5.500 4.348 4.227 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 12 LEU QB 1 13 ALA H 2.800 . 3.800 2.256 2.152 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 12 LEU QB 1 14 SER H 4.000 . 5.500 4.116 4.061 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 12 LEU HB2 1 13 ALA H 2.500 . 3.300 3.209 3.119 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 12 LEU HB3 1 12 LEU MD1 1.700 . 5.500 2.168 2.001 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 12 LEU HB3 1 15 ALA H 3.800 . 5.500 5.681 5.551 5.860 0.360 15 0 "[ . 1 . 2 . 3]" 1
89 1 12 LEU QD 1 20 GLN H 4.000 . 5.000 4.410 3.954 5.041 0.041 15 0 "[ . 1 . 2 . 3]" 1
90 1 12 LEU MD1 1 13 ALA HA 1.900 . 5.500 3.521 3.237 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 12 LEU MD1 1 15 ALA H 4.000 . 5.000 4.811 4.478 5.010 0.010 11 0 "[ . 1 . 2 . 3]" 1
92 1 12 LEU MD1 1 20 GLN HB2 3.000 . 5.500 2.974 2.084 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 12 LEU MD1 1 20 GLN HB3 2.500 . 5.500 2.515 1.672 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 12 LEU MD1 1 20 GLN HG3 2.500 . 5.500 4.236 3.844 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 12 LEU MD2 1 12 LEU HG 1.900 . 2.400 1.869 1.784 1.925 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 12 LEU MD2 1 13 ALA H 3.400 . 4.800 4.434 4.315 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 12 LEU MD2 1 15 ALA H 4.000 . 5.000 5.066 4.948 5.115 0.115 4 0 "[ . 1 . 2 . 3]" 1
98 1 12 LEU MD2 1 20 GLN H 3.300 . 5.500 4.966 4.381 5.561 0.061 14 0 "[ . 1 . 2 . 3]" 1
99 1 12 LEU MD2 1 20 GLN HA 2.200 . 2.800 2.488 2.131 2.978 0.178 10 0 "[ . 1 . 2 . 3]" 1
100 1 12 LEU MD2 1 20 GLN HB2 3.100 . 4.300 2.425 1.909 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 12 LEU HG 1 24 LEU QD 3.200 . 4.500 3.446 2.656 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 13 ALA H 1 13 ALA HA 2.400 . 3.100 2.848 2.836 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 13 ALA H 1 13 ALA MB 2.000 . 2.500 2.175 2.034 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 13 ALA H 1 14 SER H 2.800 . 3.800 2.784 2.707 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 13 ALA HA 1 13 ALA MB 1.900 . 2.400 2.112 2.083 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 13 ALA HA 1 14 SER H 3.100 . 4.300 3.171 3.077 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 13 ALA MB 1 14 SER H 2.500 . 3.300 3.401 3.362 3.486 0.186 15 0 "[ . 1 . 2 . 3]" 1
108 1 14 SER H 1 14 SER HA 2.400 . 3.100 2.923 2.905 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 14 SER H 1 14 SER QB 2.300 . 3.000 2.321 2.174 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 14 SER H 1 14 SER HB2 2.300 . 3.000 2.434 2.159 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 14 SER H 1 15 ALA H 2.600 . 3.400 2.358 2.159 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 14 SER HA 1 15 ALA H 2.400 . 5.500 3.304 3.189 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 14 SER HB2 1 15 ALA H 2.600 . 5.500 4.029 3.119 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 14 SER HB2 1 15 ALA H 2.300 . 3.000 2.759 2.619 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 15 ALA H 1 15 ALA HA 2.500 . 3.300 2.940 2.920 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 15 ALA H 1 15 ALA MB 2.000 . 2.500 2.504 2.395 2.567 0.067 27 0 "[ . 1 . 2 . 3]" 1
117 1 15 ALA H 1 19 GLU QB 3.400 . 4.800 4.773 4.644 4.850 0.050 12 0 "[ . 1 . 2 . 3]" 1
118 1 15 ALA H 1 23 MET QG 3.200 . 5.500 5.516 5.406 5.554 0.054 6 0 "[ . 1 . 2 . 3]" 1
119 1 15 ALA HA 1 15 ALA MB 2.000 . 2.500 2.096 2.075 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 15 ALA HA 1 19 GLU QB 2.700 . 3.600 3.644 3.524 3.717 0.117 12 0 "[ . 1 . 2 . 3]" 1
121 1 15 ALA MB 1 19 GLU H 3.100 . 4.300 3.932 3.130 4.306 0.006 25 0 "[ . 1 . 2 . 3]" 1
122 1 15 ALA MB 1 20 GLN HA 2.200 . 5.500 3.509 3.031 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 15 ALA MB 1 23 MET QG 2.800 . 3.800 3.097 2.666 3.824 0.024 14 0 "[ . 1 . 2 . 3]" 1
124 1 15 ALA MB 1 24 LEU QD 1.900 . 5.500 4.892 4.380 5.294 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 18 GLN H 1 18 GLN HA 2.300 . 3.000 2.795 2.757 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 18 GLN H 1 18 GLN HB2 2.400 . 5.500 3.558 2.980 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 18 GLN H 1 18 GLN HB3 2.100 . 5.500 2.721 2.403 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 18 GLN H 1 18 GLN HG2 2.400 . 3.100 2.423 1.865 3.361 0.261 16 0 "[ . 1 . 2 . 3]" 1
129 1 18 GLN H 1 18 GLN HG3 2.700 . 3.600 3.231 1.835 4.009 0.409 4 0 "[ . 1 . 2 . 3]" 1
130 1 18 GLN H 1 19 GLU H 2.400 . 3.100 2.746 2.599 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 18 GLN H 1 20 GLN H 3.400 . 4.800 4.825 4.767 4.940 0.140 15 0 "[ . 1 . 2 . 3]" 1
132 1 18 GLN HA 1 19 GLU H 2.900 . 4.000 3.405 3.174 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 18 GLN HA 1 20 GLN H 3.000 . 4.100 3.328 3.229 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 18 GLN HA 1 21 LYS H 3.200 . 5.500 5.564 5.387 5.618 0.118 23 0 "[ . 1 . 2 . 3]" 1
135 1 18 GLN HA 2 18 TYR QE 3.000 . 4.100 3.427 3.323 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 18 GLN HA 2 18 TYR QD 3.800 . 5.500 4.255 3.898 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 18 GLN HB2 1 19 GLU H 3.100 . 4.300 4.023 3.284 4.382 0.082 15 0 "[ . 1 . 2 . 3]" 1
138 1 18 GLN HB2 2 18 TYR QD 3.500 . 5.000 3.406 3.095 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 18 GLN HB3 1 20 GLN H 2.500 . 5.500 5.365 4.868 5.469 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 18 GLN HB3 2 18 TYR QE 3.500 . 5.000 3.761 3.263 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 18 GLN HB3 2 18 TYR QE 2.600 . 5.500 4.095 3.352 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 18 GLN HG2 1 19 GLU H 2.800 . 3.800 3.123 2.379 4.642 0.842 9 4 "[ * .* +1 - . 2 . 3]" 1
143 1 18 GLN HG2 1 20 GLN H 2.700 . 5.500 5.329 4.566 6.498 0.998 6 5 "[ * .+ * * . 2 - . 3]" 1
144 1 18 GLN HG2 2 18 TYR QE 3.700 . 5.400 4.276 2.646 5.573 0.173 22 0 "[ . 1 . 2 . 3]" 1
145 1 19 GLU H 1 19 GLU HA 2.600 . 3.400 2.898 2.883 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 19 GLU H 1 19 GLU HA 2.400 . 3.100 2.570 2.562 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 19 GLU H 1 19 GLU QB 2.000 . 2.500 2.302 2.113 2.517 0.017 22 0 "[ . 1 . 2 . 3]" 1
148 1 19 GLU H 1 19 GLU QB 2.500 . 3.300 2.186 2.043 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 19 GLU H 1 19 GLU HG3 2.500 . 3.300 3.250 2.248 3.893 0.593 29 2 "[ . 1 . 2 - +3]" 1
150 1 19 GLU H 1 20 GLN H 2.400 . 3.100 3.090 2.847 3.138 0.038 23 0 "[ . 1 . 2 . 3]" 1
151 1 19 GLU H 1 20 GLN H 2.200 . 2.800 2.738 2.583 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 19 GLU H 1 23 MET QG 3.300 . 5.500 5.982 5.292 6.292 0.792 19 19 "[ * *** **** .-**+** *** **]" 1
153 1 19 GLU HA 1 20 GLN H 2.000 . 5.500 2.799 2.712 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 19 GLU HA 1 21 LYS HB3 2.500 . 5.500 5.394 5.071 5.681 0.181 18 0 "[ . 1 . 2 . 3]" 1
155 1 19 GLU HA 1 22 GLN H 2.600 . 3.400 3.397 3.313 3.465 0.065 20 0 "[ . 1 . 2 . 3]" 1
156 1 19 GLU HA 1 23 MET H 2.800 . 5.500 4.725 4.273 5.240 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 19 GLU HA 1 23 MET H 3.600 . 5.200 4.141 3.977 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 19 GLU QB 1 20 GLN H 2.400 . 5.500 3.840 3.813 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 20 GLN H 1 20 GLN HA 2.600 . 3.400 2.864 2.853 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 20 GLN H 1 20 GLN HB2 2.700 . 3.600 3.331 2.819 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 20 GLN H 1 20 GLN HB2 2.400 . 3.100 3.110 2.787 3.408 0.308 19 0 "[ . 1 . 2 . 3]" 1
162 1 20 GLN H 1 20 GLN HB3 2.900 . 4.000 3.383 3.226 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 20 GLN H 1 20 GLN HE21 4.200 . 5.500 4.579 3.785 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 20 GLN H 1 20 GLN HG2 2.600 . 3.400 1.999 1.775 3.397 0.025 27 0 "[ . 1 . 2 . 3]" 1
165 1 20 GLN H 1 20 GLN HG3 2.300 . 3.000 2.278 1.944 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 20 GLN H 1 21 LYS H 2.800 . 3.800 3.060 2.896 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 20 GLN HA 1 20 GLN HE21 3.800 . 5.500 4.711 4.388 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 20 GLN HA 1 24 LEU HB2 2.500 . 5.500 5.806 5.146 6.442 0.942 24 12 "[ ** * **1-** .** *2 +. 3]" 1
169 1 20 GLN HB2 1 21 LYS H 2.800 . 3.800 1.889 1.755 2.058 0.045 12 0 "[ . 1 . 2 . 3]" 1
170 1 20 GLN HB2 1 52 ASN QD 3.200 . 5.500 5.785 5.431 5.890 0.390 12 0 "[ . 1 . 2 . 3]" 1
171 1 20 GLN HB3 1 21 LYS H 2.600 . 3.400 3.092 3.021 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 20 GLN HE21 1 20 GLN HG2 3.100 . 4.300 3.505 2.700 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 20 GLN HE21 1 20 GLN HG3 2.800 . 3.800 2.709 2.384 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 20 GLN HE21 1 21 LYS HA 2.800 . 5.500 5.393 4.386 5.553 0.053 12 0 "[ . 1 . 2 . 3]" 1
175 1 20 GLN HE21 1 21 LYS HB3 4.200 . 5.500 5.403 4.294 5.762 0.262 3 0 "[ . 1 . 2 . 3]" 1
176 1 20 GLN HE22 2 18 TYR HA 3.200 . 4.500 3.822 1.915 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 20 GLN HE22 2 18 TYR HB2 3.800 . 5.500 5.838 3.800 6.383 0.883 22 12 "[*** ** *-1* * * * + . 3]" 1
178 1 20 GLN HE22 2 19 SER HB3 3.100 . 5.500 4.371 3.032 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 20 GLN QG 2 19 SER H 4.000 . 5.000 3.348 2.470 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 20 GLN HG2 1 21 LYS H 3.000 . 4.100 3.609 3.345 4.370 0.270 12 0 "[ . 1 . 2 . 3]" 1
181 1 20 GLN HG2 2 18 TYR QE 3.600 . 5.200 4.344 3.823 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 20 GLN HG3 1 21 LYS H 2.500 . 3.300 2.429 1.963 3.722 0.422 13 0 "[ . 1 . 2 . 3]" 1
183 1 20 GLN HG3 2 19 SER H 3.700 . 5.400 3.559 2.528 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 21 LYS H 1 21 LYS HA 2.600 . 3.400 2.878 2.867 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 21 LYS H 1 21 LYS HB2 2.500 . 5.500 2.856 2.716 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 21 LYS H 1 21 LYS HB3 2.400 . 3.100 3.559 3.492 3.589 0.489 2 0 "[ . 1 . 2 . 3]" 1
187 1 21 LYS H 1 21 LYS QE 3.900 . 5.500 3.564 2.888 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 21 LYS H 1 21 LYS HG2 2.500 . 3.300 1.810 1.694 2.060 0.006 20 0 "[ . 1 . 2 . 3]" 1
189 1 21 LYS H 1 22 GLN H 3.100 . 4.300 2.820 2.753 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 21 LYS H 1 23 MET H 2.800 . 5.500 4.546 4.310 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 21 LYS H 1 24 LEU QD 3.900 . 5.500 4.857 4.447 5.384 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 21 LYS HA 1 24 LEU QD 3.200 . 5.500 2.671 2.190 3.282 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 21 LYS HA 1 25 GLY H 3.100 . 4.300 3.917 3.826 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 21 LYS HA 1 29 PHE QD 3.200 . 5.500 5.609 5.349 6.020 0.520 15 1 "[ . 1 + 2 . 3]" 1
195 1 21 LYS HA 1 24 LEU QD 2.200 . 2.800 2.617 2.182 3.124 0.324 23 0 "[ . 1 . 2 . 3]" 1
196 1 21 LYS HA 1 27 ARG QD 2.900 . 5.500 5.411 4.148 6.498 0.998 18 2 "[ . 1 . + 2 . -]" 1
197 1 21 LYS HA 1 52 ASN QD 4.500 . 5.500 5.583 5.513 5.664 0.164 21 0 "[ . 1 . 2 . 3]" 1
198 1 21 LYS HB2 1 22 GLN H 2.500 . 5.500 3.918 3.819 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 21 LYS HB2 1 27 ARG H 2.400 . 5.500 4.530 3.515 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 21 LYS HB2 1 52 ASN QD 4.000 . 5.000 3.970 3.756 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 21 LYS HB2 2 18 TYR QD 3.600 . 5.200 5.026 4.642 5.358 0.158 11 0 "[ . 1 . 2 . 3]" 1
202 1 21 LYS HB3 1 52 ASN QD 3.500 . 5.000 3.758 3.637 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 21 LYS QE 1 22 GLN H 4.500 . 5.500 5.344 4.709 5.571 0.071 18 0 "[ . 1 . 2 . 3]" 1
204 1 21 LYS QE 1 52 ASN QD 3.500 . 5.000 3.668 2.366 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 21 LYS QG 1 52 ASN QD 3.200 . 4.000 2.840 2.128 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 21 LYS HG2 1 22 GLN H 2.900 . 4.000 4.334 4.200 4.435 0.435 4 0 "[ . 1 . 2 . 3]" 1
207 1 21 LYS HG3 1 52 ASN H 2.600 . 5.500 4.688 4.576 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 21 LYS HG3 2 17 GLY H 2.900 . 4.000 1.765 1.499 2.039 0.301 18 0 "[ . 1 . 2 . 3]" 1
209 1 22 GLN H 1 22 GLN HA 2.300 . 3.000 2.820 2.811 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 22 GLN H 1 22 GLN HB2 2.100 . 2.700 2.257 2.071 3.630 0.930 6 3 "[ .+ 1 . -* . 3]" 1
211 1 22 GLN H 1 22 GLN QG 2.700 . 3.600 3.339 2.146 3.660 0.060 21 0 "[ . 1 . 2 . 3]" 1
212 1 22 GLN H 1 23 MET H 2.500 . 3.300 2.908 2.773 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 22 GLN QB 1 23 MET H 2.500 . 3.300 2.323 1.952 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 22 GLN QB 2 18 TYR QD 3.900 . 5.500 4.278 3.352 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 22 GLN HB2 2 18 TYR QE 3.100 . 4.300 4.036 3.365 4.590 0.290 12 0 "[ . 1 . 2 . 3]" 1
216 1 22 GLN QG 2 18 TYR QE 3.300 . 4.700 2.457 1.887 4.373 0.013 27 0 "[ . 1 . 2 . 3]" 1
217 1 23 MET H 1 23 MET HA 2.300 . 3.000 2.784 2.747 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 23 MET H 1 23 MET HB2 2.400 . 3.100 2.735 2.513 3.518 0.418 15 0 "[ . 1 . 2 . 3]" 1
219 1 23 MET H 1 23 MET QG 2.500 . 2.800 1.966 1.832 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 23 MET H 1 24 LEU H 2.600 . 3.400 3.417 3.334 3.464 0.064 17 0 "[ . 1 . 2 . 3]" 1
221 1 23 MET HA 1 25 GLY H 2.800 . 5.500 4.024 3.911 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 23 MET HB3 1 24 LEU H 2.500 . 3.300 2.807 2.479 3.455 0.155 14 0 "[ . 1 . 2 . 3]" 1
223 1 23 MET QG 1 24 LEU H 3.700 . 4.800 3.474 2.080 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 24 LEU H 1 24 LEU HA 2.800 . 3.800 2.804 2.793 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 24 LEU H 1 24 LEU HB2 2.600 . 5.500 3.436 3.189 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 24 LEU H 1 24 LEU HB3 2.600 . 3.400 3.106 2.720 3.409 0.009 23 0 "[ . 1 . 2 . 3]" 1
227 1 24 LEU H 1 24 LEU HB3 2.300 . 3.000 2.772 2.434 3.151 0.151 23 0 "[ . 1 . 2 . 3]" 1
228 1 24 LEU H 1 24 LEU QD 2.700 . 3.600 2.219 1.870 2.603 0.130 12 0 "[ . 1 . 2 . 3]" 1
229 1 24 LEU H 1 24 LEU HG 2.500 . 3.300 1.822 1.692 1.999 0.008 18 0 "[ . 1 . 2 . 3]" 1
230 1 24 LEU H 1 25 GLY H 2.700 . 5.500 3.709 3.628 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 24 LEU H 1 29 PHE QB 3.700 . 5.400 4.335 3.518 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 24 LEU HA 1 24 LEU HB2 3.000 . 4.100 2.721 2.537 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 24 LEU HA 1 25 GLY H 3.100 . 4.300 2.665 2.527 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 24 LEU HA 1 29 PHE H 2.600 . 5.500 4.658 4.269 5.525 0.025 15 0 "[ . 1 . 2 . 3]" 1
235 1 24 LEU HA 1 29 PHE H 2.900 . 4.000 3.745 3.426 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 24 LEU HA 1 29 PHE QB 2.700 . 3.600 2.631 2.325 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 24 LEU HA 1 29 PHE QD 2.600 . 3.400 2.476 1.968 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 24 LEU HB2 1 24 LEU QD 2.400 . 3.100 2.081 2.011 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 24 LEU HB2 1 28 LEU H 3.000 . 5.500 5.370 5.040 5.739 0.239 15 0 "[ . 1 . 2 . 3]" 1
240 1 24 LEU HB2 1 29 PHE QB 3.200 . 4.500 2.314 1.903 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 24 LEU HB3 1 24 LEU QD 2.700 . 3.600 2.193 1.983 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 24 LEU HB3 1 25 GLY H 2.700 . 5.500 4.643 4.511 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 24 LEU QD 1 25 GLY H 2.900 . 5.500 3.917 3.490 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 24 LEU QD 1 25 GLY HA2 2.700 . 5.500 4.489 4.024 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 24 LEU QD 1 27 ARG H 3.100 . 4.300 3.864 3.539 4.327 0.027 19 0 "[ . 1 . 2 . 3]" 1
246 1 24 LEU QD 1 27 ARG QD 3.300 . 4.700 3.849 3.307 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 24 LEU QD 1 29 PHE H 3.100 . 4.300 4.119 3.747 4.498 0.198 13 0 "[ . 1 . 2 . 3]" 1
248 1 24 LEU QD 1 29 PHE QB 3.100 . 4.300 3.004 2.487 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 24 LEU QD 1 29 PHE QE 3.000 . 4.100 4.009 3.707 4.112 0.012 2 0 "[ . 1 . 2 . 3]" 1
250 1 24 LEU QD 1 31 LEU H 2.900 . 5.500 5.088 4.219 5.514 0.014 15 0 "[ . 1 . 2 . 3]" 1
251 1 24 LEU HG 1 25 GLY H 3.000 . 5.500 5.090 4.966 5.237 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 25 GLY H 1 25 GLY HA2 2.600 . 3.400 2.341 2.290 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 25 GLY H 1 25 GLY HA3 2.500 . 3.300 2.640 2.606 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 25 GLY H 1 26 GLU H 3.400 . 4.800 3.733 3.459 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 25 GLY H 1 44 THR HB 2.800 . 5.500 5.008 4.646 5.425 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 25 GLY H 1 44 THR MG 2.800 . 3.800 3.479 3.185 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 25 GLY H 1 48 LEU MD1 4.000 . 5.000 4.856 4.605 5.062 0.062 6 0 "[ . 1 . 2 . 3]" 1
258 1 25 GLY H 1 48 LEU MD2 4.000 . 5.000 5.140 5.071 5.232 0.232 12 0 "[ . 1 . 2 . 3]" 1
259 1 25 GLY H 2 13 PHE QE 4.000 . 5.000 2.781 2.684 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 25 GLY H 2 13 PHE HZ 4.000 . 5.000 5.111 5.065 5.175 0.175 12 0 "[ . 1 . 2 . 3]" 1
261 1 25 GLY HA2 1 26 GLU H 2.900 . 4.000 3.020 2.881 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 25 GLY HA2 1 27 ARG H 4.500 . 5.500 5.875 5.787 5.953 0.453 4 0 "[ . 1 . 2 . 3]" 1
263 1 25 GLY HA3 1 29 PHE QD 3.300 . 5.500 5.932 5.683 6.082 0.582 27 7 "[ *.* *-1 *. 2 . + *3]" 1
264 1 25 GLY HA3 1 44 THR MG 3.500 . 5.000 2.037 1.868 2.314 0.132 29 0 "[ . 1 . 2 . 3]" 1
265 1 26 GLU H 1 26 GLU HA 2.500 . 3.300 2.863 2.840 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 26 GLU H 1 26 GLU QB 2.700 . 3.600 2.972 2.912 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 26 GLU H 1 26 GLU HG3 2.500 . 3.300 2.708 1.707 3.357 0.057 21 0 "[ . 1 . 2 . 3]" 1
268 1 26 GLU H 1 27 ARG H 2.300 . 3.000 3.073 3.009 3.148 0.148 15 0 "[ . 1 . 2 . 3]" 1
269 1 26 GLU H 1 29 PHE QB 3.800 . 5.500 5.198 4.987 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 26 GLU H 1 55 LEU QD 3.800 . 5.500 2.909 1.949 3.215 0.051 22 0 "[ . 1 . 2 . 3]" 1
271 1 26 GLU H 1 44 THR MG 2.800 . 3.800 2.970 2.764 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 26 GLU H 1 48 LEU MD1 3.200 . 4.000 2.133 1.837 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 26 GLU H 1 48 LEU MD2 3.200 . 4.000 3.349 3.101 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 26 GLU HA 1 27 ARG H 3.000 . 4.100 3.508 3.479 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 26 GLU HA 2 16 SER H 2.500 . 3.300 3.319 3.156 3.414 0.114 15 0 "[ . 1 . 2 . 3]" 1
276 1 26 GLU QB 1 27 ARG H 2.700 . 3.600 1.900 1.764 2.033 0.036 10 0 "[ . 1 . 2 . 3]" 1
277 1 26 GLU QB 1 55 LEU QD 2.000 . 5.500 1.949 1.467 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 26 GLU QB 1 52 ASN QD 3.500 . 4.300 2.895 2.015 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 26 GLU QB 1 55 LEU QD 2.600 . 3.400 1.998 1.483 2.609 0.317 27 0 "[ . 1 . 2 . 3]" 1
280 1 26 GLU QB 2 16 SER H 3.200 . 4.000 3.905 3.192 4.054 0.054 10 0 "[ . 1 . 2 . 3]" 1
281 1 26 GLU QB 2 17 GLY H 4.000 . 5.000 3.974 2.878 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 26 GLU QG 1 27 ARG H 3.100 . 4.300 2.605 2.183 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 26 GLU QG 1 29 PHE H 4.400 . 5.500 5.252 4.706 5.653 0.153 4 0 "[ . 1 . 2 . 3]" 1
284 1 26 GLU QG 1 50 ILE H 4.100 . 5.500 5.496 5.338 5.602 0.102 27 0 "[ . 1 . 2 . 3]" 1
285 1 26 GLU QG 2 16 SER H 4.000 . 5.000 4.197 3.329 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 27 ARG H 1 27 ARG HA 2.700 . 3.600 2.933 2.920 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 27 ARG H 1 27 ARG HA 2.400 . 3.100 2.618 2.611 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 27 ARG H 1 27 ARG QB 2.600 . 3.400 2.636 2.544 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 27 ARG H 1 27 ARG QB 2.700 . 3.600 2.282 2.119 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 27 ARG H 1 27 ARG QD 3.200 . 4.500 4.134 3.629 4.509 0.009 29 0 "[ . 1 . 2 . 3]" 1
291 1 27 ARG H 1 28 LEU H 2.300 . 3.000 1.990 1.919 2.081 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 27 ARG H 1 29 PHE H 3.400 . 4.800 4.396 4.220 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 27 ARG H 1 29 PHE H 2.900 . 4.000 3.720 3.674 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 27 ARG H 1 44 THR MG 3.200 . 4.500 3.399 3.194 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 27 ARG H 1 55 LEU QB 4.200 . 5.500 2.231 1.828 2.720 0.172 20 0 "[ . 1 . 2 . 3]" 1
296 1 27 ARG H 1 55 LEU QD 3.200 . 4.500 2.098 1.381 3.384 0.519 20 1 "[ . 1 . + . 3]" 1
297 1 27 ARG H 1 55 LEU QD 2.600 . 3.400 1.874 1.344 2.616 0.456 20 0 "[ . 1 . 2 . 3]" 1
298 1 27 ARG H 2 16 SER HB2 3.200 . 5.500 5.044 4.687 5.895 0.395 29 0 "[ . 1 . 2 . 3]" 1
299 1 27 ARG HA 1 28 LEU H 2.100 . 5.500 3.161 3.036 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 27 ARG QB 1 27 ARG HE 2.800 . 3.800 3.454 1.999 3.866 0.066 16 0 "[ . 1 . 2 . 3]" 1
301 1 27 ARG QB 1 31 LEU H 2.100 . 5.500 4.737 4.517 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 27 ARG QB 1 31 LEU HB3 2.800 . 5.500 5.122 4.867 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 27 ARG QB 1 31 LEU QD 2.100 . 2.700 2.626 2.503 2.723 0.023 15 0 "[ . 1 . 2 . 3]" 1
304 1 27 ARG QB 1 55 LEU QD 2.200 . 2.800 2.488 1.525 3.281 0.481 1 0 "[ . 1 . 2 . 3]" 1
305 1 27 ARG QB 1 55 LEU QB 2.600 . 5.500 2.026 1.589 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 27 ARG QD 1 28 LEU H 3.200 . 4.500 3.980 3.829 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 27 ARG QD 1 28 LEU HA 2.300 . 5.500 4.836 4.479 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 27 ARG QD 1 31 LEU QD 3.200 . 4.500 2.915 2.247 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 27 ARG QD 1 59 LEU MD1 3.400 . 4.800 2.762 2.016 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 27 ARG HE 1 59 LEU HB2 4.000 . 5.000 4.392 2.126 5.830 0.830 5 2 "[ + 1 - . 2 . 3]" 1
311 1 27 ARG HE 1 59 LEU HB3 4.000 . 5.000 4.215 3.059 5.472 0.472 5 0 "[ . 1 . 2 . 3]" 1
312 1 27 ARG HE 1 59 LEU MD1 3.600 . 5.200 2.814 2.057 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 27 ARG HE 1 59 LEU QD 4.000 . 5.000 2.544 1.979 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 27 ARG HE 1 59 LEU MD2 4.100 . 5.500 3.206 2.196 5.283 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 28 LEU H 1 28 LEU HA 3.000 . 4.100 2.864 2.841 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 28 LEU H 1 28 LEU QB 2.600 . 3.400 2.237 1.989 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 28 LEU H 1 28 LEU QD 3.200 . 4.500 3.191 2.922 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 28 LEU H 1 59 LEU MD1 2.900 . 5.500 5.261 4.314 5.747 0.247 26 0 "[ . 1 . 2 . 3]" 1
319 1 28 LEU H 1 48 LEU HA 3.200 . 5.500 5.501 5.233 5.832 0.332 4 0 "[ . 1 . 2 . 3]" 1
320 1 28 LEU H 1 55 LEU QD 2.900 . 4.000 2.662 2.105 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 28 LEU HA 1 29 PHE HA 3.500 . 5.000 4.500 4.203 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 28 LEU HA 1 31 LEU H 3.100 . 4.300 3.369 3.194 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 28 LEU HA 1 55 LEU QD 3.100 . 4.300 3.120 2.174 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 28 LEU QB 1 44 THR MG 1.800 . 2.200 1.769 1.601 1.910 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 28 LEU QB 1 45 GLY H 3.600 . 5.200 5.027 4.654 5.220 0.020 24 0 "[ . 1 . 2 . 3]" 1
326 1 28 LEU HB2 1 29 PHE H 2.400 . 3.100 2.733 2.448 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 28 LEU HB2 1 33 GLN H 2.800 . 5.500 5.475 5.312 5.614 0.114 3 0 "[ . 1 . 2 . 3]" 1
328 1 28 LEU QD 1 29 PHE H 3.100 . 4.300 3.991 3.779 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 28 LEU MD1 1 47 LEU H 2.400 . 3.100 3.021 2.453 3.265 0.165 29 0 "[ . 1 . 2 . 3]" 1
330 1 28 LEU MD1 1 47 LEU HB2 1.700 . 2.200 1.682 1.493 1.913 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 28 LEU MD1 1 48 LEU H 2.900 . 4.000 2.574 2.182 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 28 LEU MD1 1 48 LEU HA 2.100 . 2.700 2.549 2.097 2.831 0.131 21 0 "[ . 1 . 2 . 3]" 1
333 1 28 LEU MD1 1 49 GLU H 3.400 . 4.800 3.998 3.723 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 28 LEU MD2 1 31 LEU H 3.100 . 4.300 4.278 4.164 4.644 0.344 13 0 "[ . 1 . 2 . 3]" 1
335 1 28 LEU MD2 1 31 LEU HB2 2.000 . 5.500 3.560 3.168 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 28 LEU MD2 1 32 ILE H 2.300 . 5.500 4.245 3.430 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 28 LEU MD2 1 58 MET QG 3.800 . 5.500 3.649 2.948 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 28 LEU MD2 1 58 MET QB 2.700 . 5.500 4.917 3.999 5.589 0.089 8 0 "[ . 1 . 2 . 3]" 1
339 1 29 PHE H 1 29 PHE HA 2.600 . 3.400 2.740 2.720 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 29 PHE H 1 29 PHE QB 2.600 . 3.100 2.139 2.065 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 29 PHE H 1 29 PHE QD 2.800 . 5.500 4.020 3.927 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 29 PHE H 1 32 ILE H 4.400 . 5.500 4.673 4.556 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 29 PHE HA 1 29 PHE QB 2.600 . 3.400 2.279 2.107 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 29 PHE HA 1 29 PHE QD 2.200 . 2.800 1.870 1.747 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 29 PHE HA 1 29 PHE QE 4.100 . 5.500 4.214 4.121 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 29 PHE HA 1 31 LEU H 3.200 . 4.500 4.567 4.495 4.624 0.124 23 0 "[ . 1 . 2 . 3]" 1
347 1 29 PHE HA 1 31 LEU H 3.000 . 4.100 3.919 3.791 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 29 PHE HA 1 32 ILE H 3.800 . 5.500 3.681 3.481 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 29 PHE HA 1 32 ILE H 2.700 . 3.600 3.171 3.091 3.221 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 29 PHE HA 1 32 ILE HA 2.900 . 5.500 4.763 4.309 5.154 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 29 PHE HA 1 33 GLN H 3.500 . 5.000 3.470 3.276 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 29 PHE HA 1 40 ALA HA 2.700 . 3.600 3.704 3.616 3.801 0.201 3 0 "[ . 1 . 2 . 3]" 1
353 1 29 PHE HA 1 40 ALA MB 3.000 . 4.100 2.868 2.670 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 29 PHE HA 1 44 THR MG 2.600 . 3.400 3.888 3.394 4.315 0.915 21 14 "[ *.**-*1 *. * *+* * ***3]" 1
355 1 29 PHE QB 1 29 PHE QD 2.200 . 2.800 2.227 2.138 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 29 PHE QB 1 32 ILE H 4.000 . 5.500 5.108 5.009 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 29 PHE QB 1 32 ILE MG 3.400 . 4.800 3.193 2.731 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 29 PHE QB 1 44 THR MG 2.400 . 3.100 2.871 2.397 3.350 0.250 21 0 "[ . 1 . 2 . 3]" 1
359 1 29 PHE QB 2 13 PHE QD 4.000 . 5.000 4.549 3.875 4.883 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 29 PHE QB 2 13 PHE QE 4.000 . 5.000 4.910 4.358 5.071 0.071 5 0 "[ . 1 . 2 . 3]" 1
361 1 29 PHE QD 1 30 PRO HA 2.700 . 5.500 5.001 4.426 5.239 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 29 PHE QD 1 31 LEU HB2 2.900 . 5.500 4.171 3.396 4.964 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 29 PHE QD 1 32 ILE HB 2.900 . 5.500 4.959 4.674 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 29 PHE QD 1 32 ILE MD 3.200 . 4.500 3.740 3.532 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 29 PHE QD 1 32 ILE MG 3.400 . 4.800 2.381 2.107 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 29 PHE QD 1 33 GLN H 3.600 . 5.200 4.110 3.265 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 29 PHE QD 1 33 GLN HA 3.300 . 4.700 4.776 4.125 4.856 0.156 2 0 "[ . 1 . 2 . 3]" 1
368 1 29 PHE QD 1 33 GLN HB2 3.400 . 4.800 4.409 3.976 5.088 0.288 22 0 "[ . 1 . 2 . 3]" 1
369 1 29 PHE QD 1 36 HIS HD2 4.000 . 5.000 5.014 4.827 5.087 0.087 29 0 "[ . 1 . 2 . 3]" 1
370 1 29 PHE QD 1 40 ALA H 4.100 . 5.500 4.754 4.689 5.158 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 29 PHE QD 1 40 ALA HA 2.600 . 3.000 3.182 3.090 3.280 0.280 3 0 "[ . 1 . 2 . 3]" 1
372 1 29 PHE QD 1 40 ALA MB 2.600 . 3.000 1.756 1.707 1.824 0.093 18 0 "[ . 1 . 2 . 3]" 1
373 1 29 PHE QD 1 41 GLY H 2.800 . 3.800 3.530 1.836 3.804 0.004 15 0 "[ . 1 . 2 . 3]" 1
374 1 29 PHE QD 1 44 THR H 3.400 . 4.800 4.417 4.127 4.800 . 3 0 "[ . 1 . 2 . 3]" 1
375 1 29 PHE QD 1 44 THR HB 4.000 . 5.000 4.511 4.126 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 29 PHE QE 1 36 HIS HD2 4.000 . 5.000 4.743 4.430 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 29 PHE QE 1 40 ALA MB 2.600 . 3.000 1.791 1.709 1.896 0.091 29 0 "[ . 1 . 2 . 3]" 1
378 1 30 PRO HA 1 32 ILE H 2.300 . 5.500 4.824 4.694 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 30 PRO HA 1 33 GLN H 3.000 . 4.100 3.844 3.693 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 31 LEU H 1 65 LEU MD1 4.300 . 5.500 4.231 4.051 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 31 LEU H 1 31 LEU HA 2.600 . 3.400 2.848 2.833 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 31 LEU H 1 31 LEU HA 2.300 . 3.000 2.504 2.494 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 31 LEU H 1 31 LEU HB2 2.200 . 2.800 2.699 2.605 2.909 0.109 13 0 "[ . 1 . 2 . 3]" 1
384 1 31 LEU H 1 31 LEU HB3 2.700 . 3.600 3.584 3.560 3.615 0.015 18 0 "[ . 1 . 2 . 3]" 1
385 1 31 LEU H 1 31 LEU HB3 2.700 . 3.600 3.504 3.478 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 31 LEU H 1 31 LEU QD 2.600 . 3.300 2.894 2.348 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 31 LEU H 1 31 LEU HG 3.100 . 4.300 1.894 1.784 1.965 0.116 9 0 "[ . 1 . 2 . 3]" 1
388 1 31 LEU H 1 31 LEU HG 2.500 . 3.300 1.858 1.752 1.949 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 31 LEU H 1 32 ILE H 2.500 . 3.300 2.639 2.589 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 31 LEU HA 1 31 LEU QD 2.200 . 2.400 2.253 2.080 2.456 0.056 17 0 "[ . 1 . 2 . 3]" 1
391 1 31 LEU HA 1 32 ILE H 2.700 . 3.600 3.533 3.516 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 31 LEU HA 1 33 GLN H 3.300 . 4.700 4.507 4.343 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 31 LEU HB2 1 32 ILE H 2.400 . 3.100 2.435 2.289 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 31 LEU HB3 1 31 LEU HG 2.200 . 2.800 2.826 2.659 2.936 0.136 23 0 "[ . 1 . 2 . 3]" 1
395 1 31 LEU HB3 1 32 ILE H 3.300 . 4.700 3.701 3.541 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 31 LEU HB3 1 35 MET QG 3.500 . 5.000 4.399 4.139 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 31 LEU HB3 1 58 MET QB 3.500 . 5.000 4.681 3.975 5.499 0.499 21 0 "[ . 1 . 2 . 3]" 1
398 1 31 LEU QD 1 31 LEU HG 2.200 . 2.800 1.864 1.850 1.881 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 31 LEU QD 1 32 ILE H 2.800 . 5.500 3.797 3.687 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 31 LEU QD 1 34 ALA H 3.100 . 5.500 5.222 5.096 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 31 LEU QD 1 58 MET QB 3.100 . 4.300 2.390 1.842 3.292 0.058 29 0 "[ . 1 . 2 . 3]" 1
402 1 31 LEU QD 1 58 MET QB 3.000 . 4.100 2.374 1.840 3.202 0.060 29 0 "[ . 1 . 2 . 3]" 1
403 1 31 LEU QD 1 59 LEU H 2.800 . 3.800 2.891 2.463 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 31 LEU QD 1 59 LEU HA 2.800 . 3.800 1.902 1.620 2.451 0.180 7 0 "[ . 1 . 2 . 3]" 1
405 1 31 LEU QD 1 60 GLU H 3.800 . 5.500 4.372 4.032 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 31 LEU HG 1 32 ILE H 2.500 . 5.500 3.683 3.409 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 32 ILE H 1 32 ILE HA 2.600 . 3.400 2.840 2.829 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 32 ILE H 1 32 ILE HB 2.200 . 2.800 2.537 2.411 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 32 ILE H 1 32 ILE MG 2.400 . 3.100 2.119 1.920 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 32 ILE H 1 33 GLN H 2.500 . 3.300 2.577 2.521 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 32 ILE H 1 34 ALA H 3.000 . 4.100 4.117 4.081 4.137 0.037 18 0 "[ . 1 . 2 . 3]" 1
412 1 32 ILE H 1 35 MET QB 2.400 . 5.500 4.862 4.649 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 32 ILE H 1 65 LEU QD 3.400 . 4.800 4.310 3.977 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 32 ILE H 1 69 VAL QG 3.300 . 4.700 3.702 3.379 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 32 ILE HA 1 32 ILE MD 2.200 . 5.500 2.934 2.207 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 32 ILE HA 1 33 GLN H 3.100 . 4.300 3.545 3.518 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 32 ILE HA 1 34 ALA H 3.000 . 4.100 4.035 3.938 4.103 0.003 30 0 "[ . 1 . 2 . 3]" 1
418 1 32 ILE HA 1 34 ALA MB 3.900 . 5.500 4.282 4.096 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 32 ILE HA 1 35 MET H 2.800 . 3.800 3.070 2.927 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 32 ILE HA 1 36 HIS H 3.100 . 4.300 3.347 3.168 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 32 ILE HA 1 36 HIS HD2 4.000 . 5.000 5.041 4.966 5.070 0.070 14 0 "[ . 1 . 2 . 3]" 1
422 1 32 ILE HA 1 65 LEU MD1 2.700 . 3.600 3.514 2.984 3.968 0.368 10 0 "[ . 1 . 2 . 3]" 1
423 1 32 ILE HA 1 69 VAL QG 3.100 . 4.300 2.612 2.428 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 32 ILE MD 1 33 GLN H 3.400 . 4.800 3.519 3.184 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 32 ILE MD 1 40 ALA H 3.400 . 4.800 2.853 2.480 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 32 ILE MD 1 40 ALA HA 2.900 . 5.500 1.991 1.652 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 32 ILE MD 1 40 ALA MB 2.500 . 3.300 2.018 1.681 3.542 0.242 2 0 "[ . 1 . 2 . 3]" 1
428 1 32 ILE MD 1 43 ILE MD 2.000 . 2.500 2.436 1.628 2.645 0.145 4 0 "[ . 1 . 2 . 3]" 1
429 1 32 ILE MG 1 33 GLN H 2.800 . 3.800 1.994 1.864 2.124 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 32 ILE MG 1 33 GLN HA 3.800 . 5.500 3.031 2.900 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 32 ILE MG 1 35 MET H 3.200 . 4.500 4.617 4.487 4.786 0.286 17 0 "[ . 1 . 2 . 3]" 1
432 1 32 ILE MG 1 36 HIS H 3.100 . 4.300 4.085 3.922 4.423 0.123 5 0 "[ . 1 . 2 . 3]" 1
433 1 32 ILE MG 1 36 HIS HD2 3.400 . 4.800 3.110 2.946 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 32 ILE MG 1 41 GLY HA2 2.700 . 3.600 3.179 2.813 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 32 ILE MG 1 40 ALA H 3.100 . 4.300 3.491 3.125 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 32 ILE MG 1 40 ALA HA 2.400 . 5.500 1.817 1.721 2.046 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 32 ILE MG 1 41 GLY H 3.400 . 4.800 3.774 2.473 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 32 ILE MG 2 13 PHE QE 3.300 . 5.500 5.980 5.642 6.307 0.807 26 12 "[* *.** * . ***- .+* *]" 1
439 1 33 GLN H 1 33 GLN HA 2.500 . 3.300 2.724 2.702 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 33 GLN H 1 33 GLN HB2 2.300 . 3.000 2.239 2.096 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 33 GLN H 1 33 GLN QG 2.900 . 4.000 3.519 2.685 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 33 GLN H 1 34 ALA H 2.500 . 3.300 2.819 2.753 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 33 GLN H 1 35 MET H 3.800 . 5.500 4.165 4.086 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 33 GLN H 1 36 HIS H 3.900 . 5.500 4.572 4.508 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 33 GLN H 1 40 ALA MB 2.600 . 3.000 3.087 3.015 3.152 0.152 3 0 "[ . 1 . 2 . 3]" 1
446 1 33 GLN HA 1 34 ALA H 2.800 . 3.800 3.524 3.507 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 33 GLN HA 1 34 ALA MB 3.700 . 5.400 5.015 4.991 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 33 GLN HA 1 35 MET H 3.500 . 5.000 4.158 4.092 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 33 GLN HA 1 36 HIS H 3.000 . 4.100 3.777 3.660 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 33 GLN HA 1 36 HIS HD2 4.700 . 5.500 2.247 1.976 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 33 GLN HA 1 36 HIS HE1 3.000 . 4.100 3.989 3.745 4.232 0.132 22 0 "[ . 1 . 2 . 3]" 1
452 1 33 GLN HA 1 40 ALA H 3.600 . 5.200 4.809 4.642 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 33 GLN HA 1 40 ALA MB 2.000 . 2.500 2.397 2.255 2.566 0.066 13 0 "[ . 1 . 2 . 3]" 1
454 1 33 GLN HB3 1 34 ALA H 2.500 . 3.300 2.753 2.498 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 33 GLN QG 1 36 HIS HD2 2.800 . 3.800 3.732 3.439 3.862 0.062 9 0 "[ . 1 . 2 . 3]" 1
456 1 34 ALA H 1 34 ALA HA 2.400 . 3.100 2.777 2.763 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 34 ALA H 1 34 ALA MB 2.000 . 2.500 2.134 2.008 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 34 ALA H 1 35 MET H 2.400 . 3.100 2.695 2.649 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 34 ALA H 1 36 HIS H 3.200 . 5.500 4.406 4.344 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 34 ALA H 1 40 ALA MB 3.500 . 5.000 4.950 4.825 5.088 0.088 3 0 "[ . 1 . 2 . 3]" 1
461 1 34 ALA HA 1 34 ALA MB 1.800 . 2.200 2.106 2.081 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 34 ALA HA 1 35 MET H 2.500 . 3.300 3.465 3.448 3.479 0.179 17 0 "[ . 1 . 2 . 3]" 1
463 1 34 ALA HA 1 36 HIS H 2.900 . 5.500 5.247 5.171 5.355 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 34 ALA HA 1 36 HIS HE1 2.700 . 5.500 5.827 5.553 6.131 0.631 25 8 "[ * . -1** .* *2 *+ 3]" 1
465 1 34 ALA MB 1 35 MET H 2.400 . 3.100 2.703 2.569 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 34 ALA MB 1 36 HIS H 3.400 . 5.500 4.735 4.625 4.820 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 35 MET H 1 35 MET HA 2.500 . 3.300 2.944 2.936 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 35 MET H 1 35 MET QB 2.400 . 3.100 2.517 2.244 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 35 MET H 1 35 MET QG 2.400 . 3.100 2.624 2.063 3.179 0.079 15 0 "[ . 1 . 2 . 3]" 1
470 1 35 MET H 1 36 HIS H 2.400 . 3.100 2.390 2.349 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 35 MET H 1 40 ALA MB 3.700 . 5.400 5.150 4.904 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 35 MET HA 1 36 HIS H 2.700 . 3.600 3.564 3.550 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 35 MET HA 1 36 HIS HD2 3.900 . 5.500 5.530 3.069 5.897 0.397 2 0 "[ . 1 . 2 . 3]" 1
474 1 35 MET QB 1 36 HIS H 2.400 . 3.100 2.366 2.218 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 35 MET QB 1 38 THR H 2.900 . 5.500 5.517 5.470 5.542 0.042 23 0 "[ . 1 . 2 . 3]" 1
476 1 35 MET QB 1 43 ILE MD 2.800 . 5.500 3.734 3.421 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 35 MET QB 1 69 VAL QG 3.400 . 4.800 2.678 2.584 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 35 MET QB 1 69 VAL QG 2.900 . 4.000 2.999 2.827 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 35 MET QG 1 36 HIS H 3.500 . 5.000 3.881 3.363 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 35 MET QG 1 36 HIS H 2.800 . 3.800 3.518 3.211 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 35 MET QG 1 73 VAL QG 2.500 . 5.500 4.347 3.950 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 35 MET QG 1 65 LEU MD1 3.200 . 4.500 3.026 2.223 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 35 MET QG 1 65 LEU MD1 2.900 . 4.000 2.250 1.627 3.587 0.173 4 0 "[ . 1 . 2 . 3]" 1
484 1 35 MET QG 1 69 VAL QG 3.000 . 3.800 2.677 1.940 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 36 HIS H 1 36 HIS HA 2.600 . 3.400 2.269 2.258 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 36 HIS H 1 36 HIS HB2 2.800 . 3.800 3.235 3.189 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 36 HIS H 1 36 HIS HD2 3.600 . 5.200 3.114 3.010 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 36 HIS H 1 43 ILE MD 4.000 . 5.000 5.013 4.800 5.115 0.115 2 0 "[ . 1 . 2 . 3]" 1
489 1 36 HIS H 1 43 ILE MG 4.000 . 5.000 5.187 4.981 5.391 0.391 22 0 "[ . 1 . 2 . 3]" 1
490 1 36 HIS H 1 69 VAL QG 3.200 . 4.500 4.515 4.450 4.577 0.077 15 0 "[ . 1 . 2 . 3]" 1
491 1 36 HIS HA 1 36 HIS HB2 2.500 . 3.300 2.951 2.934 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 36 HIS HA 1 36 HIS HB3 2.400 . 3.100 2.692 2.659 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 36 HIS HA 1 36 HIS HD2 4.200 . 5.500 2.031 1.977 2.099 0.023 30 0 "[ . 1 . 2 . 3]" 1
494 1 36 HIS HA 1 43 ILE MD 4.300 . 5.500 4.555 4.270 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 36 HIS HB2 1 36 HIS HD2 3.200 . 4.500 3.696 3.629 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 36 HIS HB2 1 40 ALA H 4.200 . 5.500 5.919 5.752 6.104 0.604 27 5 "[ . 1 . 2* * .*+ -3]" 1
497 1 36 HIS HB3 1 36 HIS HD2 2.800 . 3.800 3.675 3.608 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 36 HIS HB3 1 38 THR H 3.400 . 5.500 5.931 5.873 6.003 0.503 1 1 "[+ . 1 . 2 . 3]" 1
499 1 36 HIS HB3 1 40 ALA H 3.800 . 5.500 5.036 4.849 5.234 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 36 HIS HD2 1 43 ILE MD 2.600 . 5.500 5.350 5.063 5.560 0.060 9 0 "[ . 1 . 2 . 3]" 1
501 1 36 HIS HE1 1 40 ALA H 2.500 . 5.500 5.683 5.345 6.035 0.535 10 1 "[ . + . 2 . 3]" 1
502 1 36 HIS HE1 1 40 ALA MB 3.200 . 4.500 4.129 3.888 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 38 THR H 1 38 THR HA 2.600 . 3.400 2.913 2.880 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 38 THR H 1 38 THR MG 2.600 . 3.400 2.235 1.785 3.792 0.392 15 0 "[ . 1 . 2 . 3]" 1
505 1 38 THR H 1 39 LEU H 3.000 . 4.100 2.582 2.475 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 38 THR H 1 40 ALA H 3.700 . 5.400 5.493 5.469 5.565 0.165 3 0 "[ . 1 . 2 . 3]" 1
507 1 38 THR H 1 43 ILE HB 3.500 . 5.000 4.706 4.291 5.031 0.031 26 0 "[ . 1 . 2 . 3]" 1
508 1 38 THR HA 1 38 THR MG 2.200 . 2.800 2.667 2.180 3.225 0.425 29 0 "[ . 1 . 2 . 3]" 1
509 1 38 THR MG 1 46 MET QG 3.200 . 5.500 6.054 5.200 6.441 0.941 17 17 "[ * *** **- .*+ *****.* * *]" 1
510 1 38 THR MG 1 76 LEU H 3.800 . 5.500 5.686 4.834 6.344 0.844 15 3 "[* . -1 + 2 . 3]" 1
511 1 39 LEU H 1 39 LEU HB2 2.900 . 4.000 3.100 2.843 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 39 LEU H 1 39 LEU HB3 3.100 . 4.300 3.568 3.171 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 39 LEU H 1 39 LEU QD 2.600 . 3.400 3.552 2.458 3.736 0.336 21 0 "[ . 1 . 2 . 3]" 1
514 1 39 LEU H 1 43 ILE H 3.200 . 4.500 3.674 3.549 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 39 LEU H 1 43 ILE MD 3.100 . 4.300 2.489 1.880 2.898 0.020 26 0 "[ . 1 . 2 . 3]" 1
516 1 39 LEU HA 1 39 LEU MD2 2.800 . 3.800 2.883 1.889 3.895 0.095 29 0 "[ . 1 . 2 . 3]" 1
517 1 39 LEU HB2 1 39 LEU MD2 1.800 . 2.200 1.893 1.742 2.052 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 39 LEU HB2 1 40 ALA H 2.800 . 5.500 4.510 3.822 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 39 LEU HB2 1 40 ALA MB 2.900 . 5.500 5.765 4.902 5.918 0.418 24 0 "[ . 1 . 2 . 3]" 1
520 1 39 LEU HB3 1 39 LEU QD 2.000 . 2.500 2.108 1.893 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 39 LEU HB3 1 40 ALA H 3.100 . 4.300 3.976 3.693 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 39 LEU HB3 1 40 ALA HA 3.400 . 5.500 5.147 4.920 6.019 0.519 16 1 "[ . 1 .+ 2 . 3]" 1
523 1 39 LEU HB3 1 43 ILE MD 2.500 . 5.500 4.942 3.875 5.939 0.439 15 0 "[ . 1 . 2 . 3]" 1
524 1 39 LEU QD 1 42 LYS H 3.700 . 5.400 2.818 1.975 3.408 0.025 22 0 "[ . 1 . 2 . 3]" 1
525 1 39 LEU MD2 1 40 ALA H 2.800 . 3.800 3.382 2.334 4.506 0.706 20 2 "[- . 1 . + . 3]" 1
526 1 40 ALA H 1 40 ALA HA 2.700 . 3.600 2.750 2.719 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 40 ALA H 1 40 ALA MB 2.300 . 3.000 2.179 2.089 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 40 ALA H 1 41 GLY H 3.600 . 5.200 3.029 2.907 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 40 ALA H 1 43 ILE MD 4.000 . 5.500 4.650 4.153 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 40 ALA HA 1 40 ALA MB 2.300 . 3.000 2.106 2.082 2.119 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 40 ALA HA 1 41 GLY H 3.200 . 4.500 3.539 2.583 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 40 ALA HA 1 42 LYS H 3.600 . 5.200 4.885 4.324 5.220 0.020 8 0 "[ . 1 . 2 . 3]" 1
533 1 40 ALA HA 1 43 ILE HB 2.900 . 4.000 3.238 2.755 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 40 ALA HA 1 43 ILE MD 2.600 . 5.500 3.793 3.478 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 40 ALA MB 1 41 GLY H 2.600 . 3.400 2.492 2.139 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 40 ALA MB 1 41 GLY QA 2.600 . 5.500 3.559 3.394 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 40 ALA MB 1 44 THR H 2.800 . 5.500 4.799 4.440 4.985 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 41 GLY H 1 42 LYS H 2.800 . 3.800 2.974 2.718 3.886 0.086 3 0 "[ . 1 . 2 . 3]" 1
539 1 41 GLY H 1 44 THR H 4.000 . 5.500 4.940 3.764 5.196 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 41 GLY QA 2 13 PHE QE 2.900 . 4.000 3.588 3.291 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 41 GLY HA2 1 44 THR HB 2.900 . 4.000 3.723 3.387 4.009 0.009 24 0 "[ . 1 . 2 . 3]" 1
542 1 41 GLY HA2 2 13 PHE HZ 2.800 . 3.800 4.163 3.978 4.345 0.545 10 5 "[ . * + . * -* 3]" 1
543 1 41 GLY HA3 1 42 LYS H 2.700 . 3.600 2.610 2.406 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 41 GLY HA3 1 43 ILE H 3.500 . 5.000 4.688 4.385 5.020 0.020 30 0 "[ . 1 . 2 . 3]" 1
545 1 42 LYS H 1 42 LYS HA 2.600 . 3.400 2.842 2.803 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 42 LYS H 1 42 LYS HB2 2.600 . 3.400 2.159 2.052 2.396 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 42 LYS H 1 42 LYS QG 2.700 . 3.600 3.200 2.478 3.652 0.052 30 0 "[ . 1 . 2 . 3]" 1
548 1 42 LYS H 1 43 ILE H 2.700 . 3.600 2.656 2.484 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 42 LYS HA 1 43 ILE H 3.200 . 4.500 3.548 3.524 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 42 LYS HA 1 45 GLY H 3.400 . 4.800 3.452 3.279 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 42 LYS HA 1 46 MET H 2.900 . 5.500 4.929 4.812 5.042 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 42 LYS HA 2 13 PHE QD 2.600 . 3.400 3.373 3.073 3.461 0.061 13 0 "[ . 1 . 2 . 3]" 1
553 1 42 LYS HA 2 13 PHE QE 3.100 . 4.300 3.539 2.889 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 42 LYS HB2 1 43 ILE H 2.400 . 3.100 3.047 2.745 3.372 0.272 3 0 "[ . 1 . 2 . 3]" 1
555 1 42 LYS QG 1 43 ILE H 3.200 . 5.500 4.468 4.195 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 42 LYS QG 1 45 GLY H 4.500 . 5.500 5.255 4.856 5.554 0.054 8 0 "[ . 1 . 2 . 3]" 1
557 1 42 LYS QG 2 13 PHE QD 4.000 . 5.000 4.482 3.915 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 42 LYS QG 2 13 PHE QE 4.200 . 5.000 3.889 3.242 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 43 ILE H 1 43 ILE HA 2.600 . 3.400 2.776 2.755 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 43 ILE H 1 43 ILE HB 2.100 . 2.700 2.242 2.083 2.508 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 43 ILE H 1 43 ILE MD 3.200 . 4.500 3.864 3.081 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 43 ILE H 1 43 ILE MG 2.300 . 3.000 2.806 2.034 3.430 0.430 20 0 "[ . 1 . 2 . 3]" 1
563 1 43 ILE H 1 43 ILE MG 3.500 . 5.000 2.743 2.033 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 43 ILE H 1 44 THR H 2.500 . 3.300 2.743 2.684 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 43 ILE HA 1 43 ILE HB 2.200 . 2.800 2.664 2.447 2.859 0.059 20 0 "[ . 1 . 2 . 3]" 1
566 1 43 ILE HA 1 43 ILE MD 2.600 . 3.400 3.365 2.951 3.500 0.100 7 0 "[ . 1 . 2 . 3]" 1
567 1 43 ILE HA 1 44 THR H 3.000 . 4.100 3.509 3.484 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 43 ILE HA 1 72 ALA MB 2.700 . 5.500 4.539 3.458 5.506 0.006 3 0 "[ . 1 . 2 . 3]" 1
569 1 43 ILE HA 1 76 LEU MD1 2.600 . 3.400 2.439 1.754 3.471 0.071 14 0 "[ . 1 . 2 . 3]" 1
570 1 43 ILE HB 1 43 ILE MD 1.900 . 2.400 2.144 2.006 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 43 ILE HB 1 44 THR H 2.600 . 5.500 3.488 3.058 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 43 ILE HB 1 47 LEU MD2 1.900 . 5.500 3.639 3.245 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 43 ILE MD 1 43 ILE MG 3.100 . 5.500 2.537 2.288 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 43 ILE MD 1 44 THR H 3.400 . 4.800 4.822 4.673 4.925 0.125 14 0 "[ . 1 . 2 . 3]" 1
575 1 43 ILE MD 1 44 THR H 3.500 . 5.000 4.404 4.279 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 43 ILE MD 1 46 MET HB3 3.700 . 5.400 4.155 3.831 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 43 ILE MD 1 47 LEU H 4.300 . 5.500 4.626 4.073 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 43 ILE MD 1 69 VAL QG 3.500 . 5.000 3.284 2.779 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 43 ILE MD 1 69 VAL HA 3.400 . 4.800 3.800 3.306 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 43 ILE MD 1 69 VAL QG 2.300 . 5.500 3.373 2.795 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 43 ILE MD 1 69 VAL QG 3.500 . 5.000 2.546 2.185 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 43 ILE MD 1 72 ALA MB 2.600 . 3.400 3.104 2.086 3.438 0.038 19 0 "[ . 1 . 2 . 3]" 1
583 1 43 ILE MD 1 77 GLN HA 3.100 . 5.500 3.614 3.070 3.846 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 43 ILE MD 1 76 LEU H 2.600 . 5.500 4.757 4.616 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 43 ILE MD 1 77 GLN H 3.000 . 5.500 4.869 4.615 5.090 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 43 ILE MD 1 77 GLN HA 3.500 . 5.500 5.579 5.523 5.713 0.213 4 0 "[ . 1 . 2 . 3]" 1
587 1 43 ILE MG 1 44 THR H 2.600 . 3.400 2.001 1.753 2.508 0.047 6 0 "[ . 1 . 2 . 3]" 1
588 1 44 THR H 1 44 THR HA 2.500 . 3.300 2.760 2.723 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 44 THR H 1 44 THR HB 2.500 . 3.300 2.511 2.278 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 44 THR H 1 45 GLY H 2.800 . 3.800 2.873 2.679 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 44 THR HA 1 44 THR MG 2.900 . 4.000 2.440 2.311 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 44 THR HA 1 45 GLY H 3.000 . 4.100 3.565 3.546 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 44 THR HA 1 47 LEU MD2 3.000 . 4.100 4.089 3.704 4.276 0.176 23 0 "[ . 1 . 2 . 3]" 1
594 1 44 THR HB 1 44 THR MG 2.400 . 3.100 2.086 2.067 2.118 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 44 THR HB 1 47 LEU MD2 3.000 . 5.500 4.887 4.620 5.142 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 44 THR HB 2 13 PHE HA 3.100 . 5.500 4.469 4.240 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 44 THR MG 1 45 GLY H 4.000 . 5.500 3.385 3.120 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 44 THR MG 2 13 PHE HA 3.300 . 4.700 3.594 3.360 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 45 GLY H 1 45 GLY HA2 2.600 . 3.400 2.790 2.771 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 45 GLY H 1 45 GLY HA3 2.500 . 3.300 2.297 2.289 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 45 GLY H 1 46 MET H 3.300 . 4.700 2.714 2.636 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 45 GLY H 1 47 LEU H 3.500 . 5.500 4.701 4.518 5.040 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 45 GLY H 2 12 GLU HA 3.200 . 5.500 4.453 4.141 4.807 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 45 GLY H 2 13 PHE HB2 3.200 . 4.000 3.873 3.580 4.289 0.289 23 0 "[ . 1 . 2 . 3]" 1
605 1 45 GLY H 2 13 PHE HB3 3.200 . 4.000 2.264 2.076 2.609 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 45 GLY HA2 1 46 MET H 4.100 . 5.500 3.490 3.425 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 45 GLY HA2 1 48 LEU H 3.200 . 4.500 3.709 3.542 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 45 GLY HA2 2 13 PHE H 3.200 . 4.000 3.116 2.864 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 45 GLY HA3 1 47 LEU H 2.700 . 5.500 5.286 5.120 5.634 0.134 19 0 "[ . 1 . 2 . 3]" 1
610 1 45 GLY HA3 2 13 PHE H 3.200 . 4.000 2.715 2.445 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 46 MET H 1 46 MET HA 2.500 . 3.300 2.845 2.814 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 46 MET H 1 46 MET HB2 2.300 . 3.000 2.307 2.079 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 46 MET H 1 46 MET HB3 3.000 . 4.100 3.477 2.733 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 46 MET H 1 46 MET QG 2.900 . 4.000 3.243 1.972 3.919 0.028 12 0 "[ . 1 . 2 . 3]" 1
615 1 46 MET H 1 48 LEU H 2.700 . 3.600 3.661 3.619 3.709 0.109 5 0 "[ . 1 . 2 . 3]" 1
616 1 46 MET H 1 76 LEU MD1 4.000 . 5.500 3.278 2.874 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 46 MET HA 2 10 ALA H 2.500 . 3.300 2.822 2.581 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 46 MET QG 2 10 ALA MB 2.800 . 5.500 4.275 3.788 5.124 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 47 LEU H 1 47 LEU HA 2.600 . 3.400 2.781 2.766 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 47 LEU H 1 47 LEU HB2 2.300 . 3.000 2.484 2.383 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 47 LEU H 1 47 LEU HB3 2.800 . 3.800 3.597 3.556 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 47 LEU H 1 47 LEU MD2 2.800 . 3.800 1.850 1.692 2.067 0.108 8 0 "[ . 1 . 2 . 3]" 1
623 1 47 LEU H 1 47 LEU HG 2.400 . 3.100 3.246 2.962 3.367 0.267 13 0 "[ . 1 . 2 . 3]" 1
624 1 47 LEU H 1 48 LEU H 3.000 . 4.100 2.732 2.695 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 47 LEU H 1 50 ILE MG 4.200 . 5.500 5.563 5.357 5.802 0.302 13 0 "[ . 1 . 2 . 3]" 1
626 1 47 LEU H 1 76 LEU HB2 2.400 . 5.500 4.797 4.518 5.285 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 47 LEU HA 1 47 LEU HB3 2.100 . 2.700 2.144 2.104 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 47 LEU HA 2 10 ALA MB 3.000 . 4.100 4.136 3.846 4.766 0.666 19 1 "[ . 1 . +2 . 3]" 1
629 1 47 LEU HA 2 10 ALA H 3.000 . 5.500 4.897 4.685 5.203 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 47 LEU HB2 1 47 LEU MD2 2.200 . 2.800 1.858 1.738 2.034 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 47 LEU HB2 1 47 LEU MD2 2.300 . 5.500 1.746 1.662 2.017 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 47 LEU HB2 1 69 VAL QG 2.800 . 3.800 4.080 3.820 4.293 0.493 1 0 "[ . 1 . 2 . 3]" 1
633 1 47 LEU HB3 1 48 LEU H 3.200 . 4.500 3.984 3.861 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 47 LEU HB3 1 69 VAL H 3.900 . 5.500 5.886 5.773 6.028 0.528 10 2 "[- . + . 2 . 3]" 1
635 1 47 LEU MD1 1 68 LYS H 3.000 . 4.100 3.971 3.547 4.324 0.224 24 0 "[ . 1 . 2 . 3]" 1
636 1 47 LEU MD1 1 68 LYS HA 2.400 . 5.500 3.547 3.079 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 47 LEU MD1 1 69 VAL H 2.700 . 3.600 3.217 3.053 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 47 LEU MD1 1 69 VAL HA 3.600 . 5.200 1.985 1.844 2.206 0.156 29 0 "[ . 1 . 2 . 3]" 1
639 1 47 LEU MD1 1 70 ASP H 3.200 . 4.500 4.596 4.508 4.659 0.159 25 0 "[ . 1 . 2 . 3]" 1
640 1 47 LEU MD1 1 71 GLU H 3.200 . 4.500 3.920 3.578 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 47 LEU MD1 1 72 ALA H 3.000 . 4.100 2.986 2.730 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 47 LEU MD1 2 7 SER H 3.000 . 4.100 4.192 3.839 4.301 0.201 9 0 "[ . 1 . 2 . 3]" 1
643 1 47 LEU MD2 1 47 LEU HG 1.900 . 2.400 2.091 2.072 2.112 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 47 LEU MD2 1 48 LEU H 3.000 . 4.100 3.978 3.917 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 47 LEU MD2 1 70 ASP HA 2.900 . 5.500 4.196 3.907 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 47 LEU MD2 1 69 VAL HA 2.700 . 3.600 3.614 3.292 3.689 0.089 29 0 "[ . 1 . 2 . 3]" 1
647 1 47 LEU MD2 1 72 ALA MB 2.200 . 2.800 1.594 1.555 1.627 0.045 24 0 "[ . 1 . 2 . 3]" 1
648 1 48 LEU H 1 48 LEU HA 2.500 . 3.300 2.771 2.723 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 48 LEU H 1 48 LEU HA 2.600 . 3.400 2.467 2.443 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 48 LEU H 1 48 LEU HB2 2.200 . 2.800 2.029 1.989 2.063 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 48 LEU H 1 48 LEU HB3 2.800 . 3.800 3.259 3.176 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 48 LEU H 1 48 LEU MD1 3.000 . 4.100 2.821 2.507 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 48 LEU H 1 48 LEU MD2 3.500 . 5.000 4.205 4.006 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 48 LEU H 1 49 GLU H 3.100 . 4.300 3.137 2.969 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 48 LEU H 2 10 ALA H 2.800 . 5.500 5.593 5.557 5.647 0.147 23 0 "[ . 1 . 2 . 3]" 1
656 1 48 LEU H 2 13 PHE HB3 3.800 . 5.500 5.103 4.781 5.424 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 48 LEU HA 1 49 GLU H 3.000 . 4.100 3.092 3.012 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 48 LEU HA 1 50 ILE H 3.000 . 4.100 2.902 2.839 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 48 LEU HA 1 55 LEU QB 2.800 . 5.500 3.489 3.357 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 48 LEU HA 2 10 ALA MB 2.800 . 5.500 4.936 4.693 5.272 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 48 LEU HB2 1 49 GLU H 3.200 . 4.500 4.200 4.089 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 48 LEU HB3 1 50 ILE H 2.800 . 5.500 3.913 3.851 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 48 LEU HB3 2 10 ALA MB 3.200 . 4.500 3.911 3.753 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 48 LEU HB3 2 14 TYR H 4.100 . 5.500 4.596 4.352 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 48 LEU MD2 2 14 TYR HA 3.900 . 5.500 4.183 3.943 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 49 GLU H 1 49 GLU HA 2.900 . 4.000 2.854 2.840 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 49 GLU H 1 49 GLU HB2 2.800 . 3.800 2.800 2.126 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 49 GLU H 1 49 GLU HB3 2.600 . 3.400 2.753 2.281 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 49 GLU H 1 49 GLU HG2 2.800 . 3.800 3.658 1.985 4.477 0.677 1 6 "[+* .* * 1 . 2 - . * 3]" 1
670 1 49 GLU H 1 50 ILE H 2.900 . 4.000 2.510 2.415 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 49 GLU H 1 50 ILE MG 3.700 . 5.400 4.205 3.750 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 49 GLU H 2 10 ALA MB 4.000 . 5.000 3.135 2.903 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 49 GLU HA 1 50 ILE H 2.800 . 3.800 3.362 3.326 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 49 GLU HB3 1 50 ILE H 3.300 . 4.700 3.764 3.252 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 49 GLU QG 2 10 ALA MB 3.400 . 4.800 2.690 2.026 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 49 GLU HG2 1 50 ILE H 2.500 . 3.300 2.993 2.395 3.530 0.230 12 0 "[ . 1 . 2 . 3]" 1
677 1 50 ILE H 1 50 ILE HA 2.700 . 3.600 2.936 2.922 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 50 ILE H 1 50 ILE HB 2.500 . 3.300 2.644 2.550 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 50 ILE H 1 50 ILE HB 2.300 . 3.000 2.238 1.948 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 50 ILE H 1 50 ILE MD 2.600 . 5.500 4.168 3.904 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 50 ILE H 1 50 ILE QG 2.700 . 5.500 4.144 4.067 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 50 ILE H 1 50 ILE MG 2.700 . 3.600 2.412 2.034 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 50 ILE H 1 55 LEU QD 3.300 . 4.700 2.088 1.535 3.273 0.365 3 0 "[ . 1 . 2 . 3]" 1
684 1 50 ILE H 1 55 LEU QD 2.400 . 5.500 2.088 1.536 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 50 ILE HA 1 50 ILE MD 2.400 . 3.100 2.541 1.805 3.181 0.081 13 0 "[ . 1 . 2 . 3]" 1
686 1 50 ILE HA 1 51 ASP H 2.200 . 2.800 2.070 1.941 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 50 ILE HB 1 51 ASP H 2.300 . 5.500 2.976 2.784 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 50 ILE MD 1 51 ASP H 2.800 . 3.800 2.960 1.918 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 50 ILE MD 1 54 GLU H 3.100 . 5.500 5.065 4.253 5.493 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 50 ILE MD 1 55 LEU H 2.600 . 5.500 4.331 3.705 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 50 ILE QG 1 50 ILE MG 2.700 . 3.600 2.081 1.968 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 50 ILE QG 1 51 ASP H 3.000 . 4.100 1.910 1.841 2.058 0.059 5 0 "[ . 1 . 2 . 3]" 1
693 1 50 ILE QG 1 51 ASP H 2.700 . 5.500 1.793 1.736 1.906 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 50 ILE QG 1 54 GLU H 3.000 . 4.100 3.675 3.197 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 50 ILE MG 1 51 ASP H 2.500 . 5.500 2.745 2.367 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 50 ILE MG 1 51 ASP HA 2.800 . 5.500 3.955 3.745 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 50 ILE MG 1 51 ASP HA 2.400 . 5.500 3.602 3.459 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 50 ILE MG 1 54 GLU H 3.000 . 5.500 3.284 2.970 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 50 ILE MG 1 55 LEU H 2.600 . 3.400 2.888 2.507 3.528 0.128 12 0 "[ . 1 . 2 . 3]" 1
700 1 50 ILE MG 1 55 LEU HA 2.400 . 3.100 3.258 3.070 3.410 0.310 30 0 "[ . 1 . 2 . 3]" 1
701 1 51 ASP H 1 51 ASP HA 2.400 . 3.100 2.864 2.854 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 51 ASP H 1 51 ASP HB2 2.200 . 2.800 2.374 2.094 3.573 0.773 9 1 "[ . +1 . 2 . 3]" 1
703 1 51 ASP H 1 52 ASN H 3.300 . 4.700 4.621 4.597 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 51 ASP H 1 52 ASN H 3.100 . 4.300 4.341 4.290 4.407 0.107 19 0 "[ . 1 . 2 . 3]" 1
705 1 51 ASP H 1 53 SER H 3.300 . 4.700 4.786 4.726 4.832 0.132 11 0 "[ . 1 . 2 . 3]" 1
706 1 51 ASP HA 1 52 ASN H 2.000 . 2.500 2.264 2.232 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 51 ASP HA 1 53 SER H 2.800 . 3.800 3.230 3.147 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 51 ASP HA 1 55 LEU QD 2.200 . 5.500 4.049 3.445 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 51 ASP QB 1 54 GLU H 2.700 . 3.600 2.913 2.542 3.637 0.037 9 0 "[ . 1 . 2 . 3]" 1
710 1 51 ASP HB2 1 52 ASN H 2.900 . 4.000 4.110 2.746 4.345 0.345 27 0 "[ . 1 . 2 . 3]" 1
711 1 51 ASP HB2 1 53 SER H 3.600 . 5.200 3.769 2.453 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 51 ASP HB2 1 54 GLU H 3.200 . 4.000 3.924 2.870 4.679 0.679 16 7 "[ * . * - *.+* 2 *. 3]" 1
713 1 51 ASP HB2 1 54 GLU H 3.600 . 5.200 3.444 2.831 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 51 ASP HB3 1 52 ASN H 2.700 . 3.600 3.406 2.823 3.974 0.374 14 0 "[ . 1 . 2 . 3]" 1
715 1 51 ASP HB3 1 52 ASN H 2.900 . 4.000 2.215 2.060 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 51 ASP HB3 1 53 SER H 2.600 . 3.400 2.610 2.168 4.098 0.698 9 1 "[ . +1 . 2 . 3]" 1
717 1 51 ASP HB3 1 54 GLU H 3.000 . 4.100 3.238 2.567 4.690 0.590 9 1 "[ . +1 . 2 . 3]" 1
718 1 52 ASN H 1 52 ASN HB2 2.300 . 3.000 2.439 2.243 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 52 ASN H 1 52 ASN HB3 2.500 . 3.300 2.707 2.259 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 52 ASN H 1 52 ASN QD 3.300 . 4.700 4.552 4.464 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 52 ASN H 1 55 LEU H 2.800 . 5.500 5.273 5.114 5.508 0.008 19 0 "[ . 1 . 2 . 3]" 1
722 1 52 ASN H 1 56 LEU QD 3.300 . 5.500 5.412 5.227 5.563 0.063 22 0 "[ . 1 . 2 . 3]" 1
723 1 52 ASN H 2 16 SER HA 3.600 . 5.200 5.259 5.219 5.332 0.132 3 0 "[ . 1 . 2 . 3]" 1
724 1 52 ASN HA 1 52 ASN QD 3.500 . 5.000 3.799 2.869 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 52 ASN HA 1 55 LEU QB 3.000 . 4.100 3.158 2.731 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 52 ASN HB2 1 52 ASN QD 2.500 . 3.300 2.382 2.107 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 52 ASN HB2 1 53 SER H 2.800 . 3.800 4.038 3.878 4.292 0.492 5 0 "[ . 1 . 2 . 3]" 1
728 1 52 ASN HB2 1 55 LEU QD 2.700 . 5.500 3.938 2.903 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 52 ASN HB2 1 55 LEU QD 3.800 . 5.500 3.723 2.878 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 52 ASN HB2 2 17 GLY H 5.300 . 5.500 4.236 3.539 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 52 ASN HB3 1 52 ASN QD 2.700 . 3.600 2.719 2.440 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 52 ASN HB3 1 53 SER H 2.600 . 3.400 3.017 2.930 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 53 SER H 1 53 SER HA 2.400 . 3.100 2.842 2.818 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 53 SER H 1 53 SER HA 2.300 . 3.000 2.495 2.482 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 53 SER H 1 53 SER HB3 2.100 . 2.700 2.905 2.327 3.597 0.897 16 11 "[****.* * 1* * .+* 2 - . 3]" 1
736 1 53 SER H 1 54 GLU H 2.300 . 3.000 2.601 2.541 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 53 SER H 1 55 LEU H 3.200 . 4.500 4.274 4.048 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 53 SER H 1 56 LEU MD1 3.300 . 4.700 4.275 3.731 4.750 0.050 13 0 "[ . 1 . 2 . 3]" 1
739 1 53 SER HA 1 56 LEU H 2.700 . 3.600 3.421 3.314 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 53 SER HB3 1 54 GLU H 2.800 . 3.800 3.485 2.829 4.169 0.369 7 0 "[ . 1 . 2 . 3]" 1
741 1 54 GLU H 1 54 GLU HA 2.600 . 3.400 2.868 2.857 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 54 GLU H 1 54 GLU HB2 2.200 . 2.800 2.202 2.081 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 54 GLU H 1 54 GLU HB3 2.400 . 3.100 3.160 2.392 3.476 0.376 13 0 "[ . 1 . 2 . 3]" 1
744 1 54 GLU H 1 54 GLU QG 3.300 . 4.500 3.502 3.070 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 54 GLU H 1 55 LEU H 2.500 . 3.300 2.500 2.424 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 54 GLU H 1 56 LEU H 3.600 . 5.200 3.931 3.765 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 54 GLU HA 1 56 LEU H 2.600 . 5.500 4.095 3.930 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 54 GLU HA 1 57 HIS H 2.600 . 3.400 3.352 3.202 3.448 0.048 14 0 "[ . 1 . 2 . 3]" 1
749 1 54 GLU HA 1 57 HIS QB 2.700 . 3.600 2.721 2.274 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 54 GLU HA 1 57 HIS HD2 3.100 . 4.300 3.192 1.909 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 54 GLU QG 1 57 HIS HD2 2.700 . 3.600 3.366 2.578 4.313 0.713 21 3 "[ - 1 . *2+ . 3]" 1
752 1 55 LEU H 1 55 LEU HA 2.700 . 3.600 2.800 2.790 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 55 LEU H 1 55 LEU QB 2.200 . 2.800 2.437 2.011 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 55 LEU HA 1 55 LEU QD 3.000 . 4.100 2.748 2.063 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 55 LEU HA 1 55 LEU HG 2.400 . 3.100 2.507 2.175 3.118 0.018 15 0 "[ . 1 . 2 . 3]" 1
756 1 55 LEU QB 1 55 LEU QD 2.000 . 5.500 1.818 1.699 1.949 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 55 LEU QB 1 57 HIS H 2.800 . 5.500 4.770 4.481 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 55 LEU QD 1 58 MET H 3.800 . 5.500 4.392 3.598 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 56 LEU H 1 56 LEU HA 2.300 . 3.000 2.838 2.806 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 56 LEU H 1 56 LEU HB2 2.000 . 2.500 2.271 2.058 2.620 0.120 6 0 "[ . 1 . 2 . 3]" 1
761 1 56 LEU H 1 56 LEU HB2 3.000 . 4.100 1.978 1.832 2.122 0.068 9 0 "[ . 1 . 2 . 3]" 1
762 1 56 LEU H 1 56 LEU MD1 2.300 . 3.000 2.198 1.940 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 56 LEU H 1 57 HIS H 2.700 . 3.600 2.560 2.484 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 56 LEU HA 1 58 MET H 3.700 . 5.400 4.391 4.049 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 56 LEU HA 1 59 LEU H 2.200 . 2.800 2.691 2.654 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 56 LEU HB2 1 57 HIS H 2.600 . 5.500 2.764 2.446 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 56 LEU QD 1 57 HIS H 3.500 . 5.000 3.976 3.762 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 57 HIS H 1 57 HIS HA 2.400 . 3.100 2.806 2.785 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 57 HIS H 1 57 HIS QB 2.200 . 2.800 2.192 2.030 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 57 HIS H 1 58 MET H 2.500 . 3.300 2.703 2.580 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 57 HIS H 1 58 MET QB 3.300 . 4.700 4.307 3.859 4.798 0.098 12 0 "[ . 1 . 2 . 3]" 1
772 1 57 HIS H 1 59 LEU MD2 3.100 . 5.500 5.422 4.795 5.593 0.093 30 0 "[ . 1 . 2 . 3]" 1
773 1 57 HIS HA 1 57 HIS QB 2.600 . 2.800 2.482 2.362 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 57 HIS HA 1 57 HIS HD2 3.100 . 4.300 4.042 3.290 4.348 0.048 25 0 "[ . 1 . 2 . 3]" 1
775 1 57 HIS HA 1 58 MET H 2.700 . 3.600 3.536 3.489 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 57 HIS HA 1 59 LEU H 2.900 . 5.500 4.502 4.356 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 57 HIS HA 1 60 GLU H 3.000 . 4.100 3.577 3.375 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 57 HIS QB 1 57 HIS HD2 2.900 . 3.600 2.671 2.617 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 57 HIS QB 1 58 MET H 2.900 . 4.000 2.629 2.345 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 57 HIS QB 1 59 LEU H 3.900 . 5.500 4.379 4.247 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 57 HIS HD2 1 58 MET QG 3.400 . 4.800 4.895 4.698 5.303 0.503 29 1 "[ . 1 . 2 . +3]" 1
782 1 58 MET H 1 58 MET HA 2.600 . 3.400 2.816 2.780 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 58 MET H 1 58 MET QB 2.200 . 2.800 2.576 2.227 2.846 0.046 15 0 "[ . 1 . 2 . 3]" 1
784 1 58 MET H 1 58 MET QG 2.400 . 3.100 2.059 1.687 3.053 0.013 27 0 "[ . 1 . 2 . 3]" 1
785 1 58 MET H 1 59 LEU H 2.600 . 3.400 2.663 2.475 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 58 MET H 1 60 GLU H 3.700 . 5.400 3.995 3.875 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 58 MET H 1 61 SER H 4.000 . 5.500 4.737 4.526 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 58 MET H 1 61 SER QB 3.300 . 5.500 5.001 4.547 5.501 0.001 22 0 "[ . 1 . 2 . 3]" 1
789 1 58 MET H 1 64 SER QB 2.700 . 5.500 4.506 3.645 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 58 MET H 1 65 LEU HB2 3.200 . 5.500 5.097 4.706 5.718 0.218 26 0 "[ . 1 . 2 . 3]" 1
791 1 58 MET H 1 65 LEU HB2 2.700 . 5.500 4.807 4.547 5.228 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 58 MET HA 1 59 LEU H 3.500 . 5.000 3.348 3.273 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 58 MET HA 1 60 GLU H 3.300 . 4.700 3.924 3.734 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 58 MET HA 1 61 SER H 2.600 . 3.400 3.148 2.868 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 58 MET HA 1 64 SER H 4.000 . 5.000 4.239 3.581 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 58 MET HA 1 65 LEU H 3.000 . 4.100 3.107 2.809 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 58 MET QB 1 59 LEU H 2.600 . 3.400 2.764 2.296 3.432 0.032 21 0 "[ . 1 . 2 . 3]" 1
798 1 58 MET QB 1 61 SER H 2.900 . 4.000 3.533 2.625 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 58 MET QB 1 65 LEU MD2 2.500 . 3.300 2.379 1.799 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 58 MET QG 1 59 LEU H 3.400 . 4.800 3.291 1.965 4.412 0.035 1 0 "[ . 1 . 2 . 3]" 1
801 1 59 LEU H 1 59 LEU HA 2.400 . 3.100 2.797 2.782 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 59 LEU H 1 59 LEU HB2 2.600 . 3.400 2.823 2.681 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 59 LEU H 1 59 LEU HB3 2.200 . 2.800 2.295 2.112 3.459 0.659 23 1 "[ . 1 . 2 + . 3]" 1
804 1 59 LEU H 1 59 LEU MD2 2.700 . 5.500 3.708 2.099 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 59 LEU H 1 59 LEU MD2 2.900 . 4.000 3.363 2.093 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 59 LEU H 1 60 GLU H 2.400 . 3.100 2.686 2.605 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 59 LEU H 1 60 GLU HB2 2.500 . 5.500 4.620 4.231 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 59 LEU H 1 65 LEU HB2 2.300 . 5.500 4.383 4.082 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 59 LEU H 1 65 LEU MD2 2.900 . 4.000 3.123 1.762 3.347 0.038 1 0 "[ . 1 . 2 . 3]" 1
810 1 59 LEU HA 1 60 GLU H 2.700 . 3.600 3.465 3.431 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 59 LEU HA 1 61 SER H 2.500 . 5.500 3.908 3.733 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 59 LEU HA 1 61 SER H 2.400 . 5.500 3.750 3.586 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 59 LEU HB2 1 60 GLU H 3.100 . 4.300 4.214 2.953 4.379 0.079 18 0 "[ . 1 . 2 . 3]" 1
814 1 59 LEU HB3 1 60 GLU H 2.900 . 4.000 3.146 2.952 4.162 0.162 23 0 "[ . 1 . 2 . 3]" 1
815 1 59 LEU HB3 1 61 SER H 3.500 . 5.000 5.008 4.866 5.522 0.522 23 1 "[ . 1 . 2 + . 3]" 1
816 1 59 LEU MD2 1 60 GLU H 3.400 . 4.800 3.206 2.779 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 59 LEU MD2 1 60 GLU HB2 2.400 . 3.100 2.686 1.687 3.906 0.806 16 1 "[ . 1 .+ 2 . 3]" 1
818 1 59 LEU MD2 1 61 SER H 3.500 . 5.000 4.859 4.512 5.071 0.071 23 0 "[ . 1 . 2 . 3]" 1
819 1 60 GLU H 1 60 GLU HA 2.400 . 3.100 2.927 2.901 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 60 GLU H 1 60 GLU HB2 2.200 . 2.800 2.897 2.294 3.745 0.945 3 10 "[ +*. **- * 2 **.* * 3]" 1
821 1 60 GLU H 1 60 GLU QG 2.300 . 3.000 2.481 1.882 3.042 0.042 13 0 "[ . 1 . 2 . 3]" 1
822 1 60 GLU H 1 65 LEU HB2 3.000 . 5.500 5.069 4.733 5.308 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 60 GLU HA 1 61 SER H 2.700 . 3.600 3.317 3.202 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 60 GLU QB 1 61 SER HA 2.900 . 5.500 4.496 4.288 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 61 SER H 1 61 SER HA 2.600 . 3.400 2.921 2.913 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 61 SER H 1 61 SER QB 2.500 . 3.300 2.729 2.579 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 61 SER H 1 65 LEU HB2 3.900 . 5.500 3.853 3.412 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 61 SER HA 1 63 GLU H 3.000 . 4.100 3.561 3.359 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 61 SER HA 1 63 GLU QB 3.900 . 5.500 5.270 4.837 5.505 0.005 1 0 "[ . 1 . 2 . 3]" 1
830 1 61 SER HA 1 63 GLU QB 3.800 . 5.500 4.739 4.537 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 61 SER HA 1 63 GLU QG 3.400 . 4.800 3.509 3.261 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 61 SER HA 1 64 SER H 3.500 . 5.000 4.727 4.367 4.902 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 61 SER HA 1 64 SER QB 2.500 . 5.500 5.333 4.830 5.528 0.028 30 0 "[ . 1 . 2 . 3]" 1
834 1 61 SER QB 1 63 GLU H 3.400 . 4.800 3.398 3.016 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 61 SER QB 1 64 SER H 2.900 . 4.000 2.749 2.452 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 61 SER QB 1 64 SER QB 2.700 . 3.600 2.822 2.353 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 63 GLU H 1 63 GLU HA 2.400 . 3.100 2.778 2.758 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 63 GLU H 1 63 GLU QB 2.500 . 2.700 2.672 2.553 2.813 0.113 8 0 "[ . 1 . 2 . 3]" 1
839 1 63 GLU H 1 63 GLU QG 2.500 . 3.300 1.891 1.798 1.983 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 63 GLU H 1 64 SER H 2.400 . 3.100 2.938 2.874 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 63 GLU H 1 64 SER HA 2.700 . 5.500 4.410 4.152 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 63 GLU H 1 64 SER QB 2.600 . 5.500 4.249 4.131 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 63 GLU H 1 65 LEU H 2.800 . 3.800 3.805 3.720 3.854 0.054 16 0 "[ . 1 . 2 . 3]" 1
844 1 63 GLU H 1 66 ARG H 3.600 . 5.200 4.811 4.597 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 63 GLU HA 1 64 SER H 2.800 . 3.800 3.569 3.539 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 63 GLU HA 1 66 ARG H 2.500 . 5.500 4.203 3.984 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 63 GLU HA 1 66 ARG QD 3.100 . 4.300 4.317 3.438 4.641 0.341 24 0 "[ . 1 . 2 . 3]" 1
848 1 63 GLU QB 1 64 SER H 2.400 . 3.100 2.844 1.981 3.139 0.039 10 0 "[ . 1 . 2 . 3]" 1
849 1 63 GLU QG 1 64 SER H 3.000 . 4.100 2.201 1.874 3.555 0.026 28 0 "[ . 1 . 2 . 3]" 1
850 1 63 GLU QG 1 66 ARG H 3.400 . 5.500 5.513 5.414 5.600 0.100 19 0 "[ . 1 . 2 . 3]" 1
851 1 64 SER H 1 64 SER HA 2.400 . 3.100 2.857 2.835 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 64 SER H 1 64 SER QB 2.300 . 3.000 2.208 2.058 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 64 SER H 1 66 ARG H 3.200 . 4.500 4.599 4.542 4.656 0.156 21 0 "[ . 1 . 2 . 3]" 1
854 1 64 SER QB 1 65 LEU H 2.200 . 2.800 2.776 2.650 2.855 0.055 26 0 "[ . 1 . 2 . 3]" 1
855 1 65 LEU H 1 65 LEU HA 2.700 . 3.600 2.768 2.757 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 65 LEU H 1 65 LEU HA 2.600 . 3.400 2.498 2.478 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 65 LEU H 1 65 LEU HB2 2.100 . 2.700 2.520 2.111 2.709 0.009 28 0 "[ . 1 . 2 . 3]" 1
858 1 65 LEU H 1 65 LEU HB3 2.200 . 2.800 2.458 2.271 2.908 0.108 26 0 "[ . 1 . 2 . 3]" 1
859 1 65 LEU H 1 65 LEU QD 2.700 . 3.600 3.584 3.490 3.689 0.089 6 0 "[ . 1 . 2 . 3]" 1
860 1 65 LEU H 1 66 ARG H 2.300 . 3.000 2.989 2.953 3.028 0.028 22 0 "[ . 1 . 2 . 3]" 1
861 1 65 LEU H 1 69 VAL QG 3.700 . 5.400 5.420 5.214 5.526 0.126 20 0 "[ . 1 . 2 . 3]" 1
862 1 65 LEU HA 1 65 LEU MD2 2.100 . 2.700 2.114 1.832 2.758 0.058 9 0 "[ . 1 . 2 . 3]" 1
863 1 65 LEU HA 1 68 LYS QG 2.100 . 5.500 3.185 2.773 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 65 LEU HB3 1 66 ARG H 2.500 . 3.300 2.213 1.948 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 65 LEU QD 1 67 SER H 4.200 . 5.500 4.009 3.821 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 65 LEU QD 1 69 VAL H 4.000 . 5.000 3.212 2.875 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 66 ARG H 1 66 ARG HA 2.400 . 3.100 2.791 2.766 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 66 ARG H 1 66 ARG HB2 1.900 . 2.400 2.256 2.064 2.593 0.193 15 0 "[ . 1 . 2 . 3]" 1
869 1 66 ARG H 1 66 ARG QD 3.400 . 4.800 4.118 2.852 4.818 0.018 29 0 "[ . 1 . 2 . 3]" 1
870 1 66 ARG H 1 67 SER H 2.100 . 2.700 2.686 2.615 2.735 0.035 7 0 "[ . 1 . 2 . 3]" 1
871 1 66 ARG H 1 68 LYS H 2.900 . 5.500 4.606 4.527 4.716 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 66 ARG HA 1 67 SER H 3.000 . 4.100 3.473 3.428 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 66 ARG HA 1 68 LYS QG 2.900 . 5.500 5.529 5.400 5.576 0.076 8 0 "[ . 1 . 2 . 3]" 1
874 1 66 ARG HA 1 69 VAL H 2.900 . 4.000 3.513 3.339 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 66 ARG HA 1 69 VAL QG 2.600 . 5.500 2.877 2.576 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 66 ARG HA 1 70 ASP H 2.900 . 4.000 3.131 2.888 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 66 ARG HB3 1 67 SER H 2.300 . 3.000 3.166 2.746 3.743 0.743 13 5 "[ * 1 + . - * * . 3]" 1
878 1 66 ARG QD 1 67 SER H 4.100 . 5.500 4.860 3.506 5.526 0.026 17 0 "[ . 1 . 2 . 3]" 1
879 1 67 SER H 1 67 SER HA 2.300 . 3.000 2.772 2.750 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 67 SER H 1 67 SER QB 2.100 . 2.700 2.187 2.019 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 67 SER H 1 69 VAL H 3.200 . 4.500 3.349 3.303 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 67 SER HA 1 71 GLU H 2.500 . 5.500 4.283 4.034 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 67 SER QB 1 68 LYS H 2.300 . 3.000 2.496 2.300 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 67 SER QB 1 69 VAL H 3.700 . 5.400 4.738 4.629 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 67 SER QB 1 69 VAL QG 3.600 . 5.200 5.253 5.220 5.282 0.082 5 0 "[ . 1 . 2 . 3]" 1
886 1 67 SER QB 1 70 ASP H 3.300 . 5.500 5.386 5.266 5.503 0.003 9 0 "[ . 1 . 2 . 3]" 1
887 1 68 LYS H 1 68 LYS HA 2.500 . 3.300 2.872 2.857 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 68 LYS H 1 68 LYS QB 2.700 . 3.600 2.742 2.647 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 68 LYS H 1 68 LYS HG2 3.000 . 5.500 1.959 1.803 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 68 LYS H 1 68 LYS HG3 2.700 . 3.600 2.929 2.120 3.490 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 68 LYS H 1 69 VAL H 2.400 . 3.100 2.582 2.511 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 68 LYS H 1 69 VAL H 2.400 . 3.100 2.383 2.330 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 68 LYS H 1 70 ASP HB3 3.900 . 5.500 5.055 4.861 5.288 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 68 LYS HA 1 68 LYS QG 2.500 . 3.300 2.925 2.641 3.308 0.008 15 0 "[ . 1 . 2 . 3]" 1
895 1 68 LYS HA 1 69 VAL H 2.900 . 4.000 3.561 3.549 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 68 LYS HA 1 71 GLU H 2.800 . 3.800 3.814 3.650 3.874 0.074 9 0 "[ . 1 . 2 . 3]" 1
897 1 68 LYS HA 1 72 ALA H 3.300 . 4.700 4.176 3.779 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 68 LYS HA 2 6 LEU MD1 2.700 . 3.600 2.960 2.084 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 68 LYS QB 1 69 VAL H 2.700 . 3.600 2.435 2.282 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 68 LYS QB 1 70 ASP H 3.200 . 5.500 4.856 4.724 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 68 LYS QB 2 7 SER H 4.000 . 5.000 4.863 4.648 5.022 0.022 23 0 "[ . 1 . 2 . 3]" 1
902 1 68 LYS HG3 1 69 VAL H 3.300 . 4.700 4.077 3.530 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 69 VAL H 1 69 VAL HA 2.500 . 3.300 2.785 2.777 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 69 VAL H 1 69 VAL HB 2.300 . 3.000 2.697 2.614 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 69 VAL H 1 69 VAL QG 2.300 . 3.000 1.929 1.786 2.065 0.014 17 0 "[ . 1 . 2 . 3]" 1
906 1 69 VAL H 1 71 GLU H 3.800 . 5.500 3.918 3.801 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 69 VAL H 1 72 ALA MB 3.400 . 4.800 4.657 4.430 4.837 0.037 17 0 "[ . 1 . 2 . 3]" 1
908 1 69 VAL HA 1 69 VAL QG 2.100 . 2.700 2.110 2.032 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 69 VAL HA 1 70 ASP H 3.100 . 4.300 3.557 3.534 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 69 VAL HA 1 70 ASP HA 2.300 . 5.500 4.863 4.817 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 69 VAL HA 1 72 ALA H 3.200 . 4.500 3.598 3.321 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 69 VAL HA 1 72 ALA MB 2.300 . 3.000 2.675 2.321 3.030 0.030 12 0 "[ . 1 . 2 . 3]" 1
913 1 69 VAL HA 1 73 VAL QG 3.300 . 4.700 4.009 3.436 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 69 VAL HB 1 69 VAL QG 2.100 . 2.700 1.883 1.864 1.897 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 69 VAL HB 1 70 ASP H 2.400 . 3.100 2.294 2.178 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 69 VAL QG 1 70 ASP H 2.800 . 3.800 3.102 3.050 3.159 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 69 VAL QG 1 70 ASP HA 2.700 . 3.600 3.557 3.417 3.635 0.035 12 0 "[ . 1 . 2 . 3]" 1
918 1 69 VAL QG 1 70 ASP HB2 3.100 . 4.300 4.457 4.328 4.604 0.304 18 0 "[ . 1 . 2 . 3]" 1
919 1 69 VAL QG 1 71 GLU H 3.300 . 4.700 4.730 4.645 4.815 0.115 29 0 "[ . 1 . 2 . 3]" 1
920 1 69 VAL QG 1 72 ALA MB 2.700 . 3.600 3.303 2.921 3.654 0.054 8 0 "[ . 1 . 2 . 3]" 1
921 1 69 VAL QG 1 73 VAL QG 2.200 . 2.800 2.648 2.230 2.888 0.088 22 0 "[ . 1 . 2 . 3]" 1
922 1 70 ASP H 1 70 ASP HA 2.400 . 3.100 2.754 2.737 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 70 ASP H 1 70 ASP HB2 2.500 . 3.300 2.251 2.105 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 70 ASP H 1 70 ASP HB3 2.400 . 3.100 3.023 2.577 3.514 0.414 13 0 "[ . 1 . 2 . 3]" 1
925 1 70 ASP H 1 71 GLU H 2.500 . 3.300 2.924 2.824 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 70 ASP H 1 73 VAL QG 3.900 . 5.500 4.030 3.631 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 70 ASP HA 1 71 GLU H 2.700 . 3.600 3.545 3.526 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 70 ASP HA 1 73 VAL H 3.000 . 4.100 3.654 3.539 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 70 ASP HA 1 73 VAL QG 2.500 . 3.300 2.280 1.841 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 70 ASP HB2 1 71 GLU H 2.900 . 4.000 3.261 2.588 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 70 ASP HB3 1 71 GLU H 2.700 . 3.600 2.372 2.173 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 71 GLU H 1 71 GLU HA 2.500 . 3.300 2.758 2.742 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 71 GLU H 1 71 GLU QB 2.200 . 2.800 2.235 2.058 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 71 GLU H 1 71 GLU HG2 2.900 . 4.000 3.191 2.059 4.048 0.048 29 0 "[ . 1 . 2 . 3]" 1
935 1 71 GLU H 1 71 GLU HG3 3.000 . 4.100 3.889 3.365 4.269 0.169 30 0 "[ . 1 . 2 . 3]" 1
936 1 71 GLU H 1 72 ALA MB 2.800 . 5.500 4.441 4.363 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 71 GLU H 2 6 LEU H 2.900 . 5.500 5.109 4.854 5.501 0.001 28 0 "[ . 1 . 2 . 3]" 1
938 1 71 GLU H 2 6 LEU MD1 4.100 . 5.500 4.232 3.700 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 71 GLU HA 1 73 VAL H 4.100 . 5.500 4.456 4.297 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 71 GLU HA 1 74 ALA MB 2.200 . 2.800 2.773 2.607 2.890 0.090 9 0 "[ . 1 . 2 . 3]" 1
941 1 71 GLU HA 1 75 VAL QG 2.800 . 3.800 3.909 3.651 4.035 0.235 3 0 "[ . 1 . 2 . 3]" 1
942 1 71 GLU QB 1 72 ALA H 2.600 . 3.400 2.425 2.185 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 71 GLU QB 2 6 LEU MD1 2.400 . 3.100 3.016 2.357 3.261 0.161 23 0 "[ . 1 . 2 . 3]" 1
944 1 71 GLU QB 2 7 SER H 3.700 . 5.400 2.188 2.014 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 71 GLU HB2 2 6 LEU H 3.500 . 5.500 3.238 2.952 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 71 GLU HG3 1 72 ALA H 4.000 . 5.500 4.855 4.508 5.030 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 71 GLU HG3 2 7 SER H 3.100 . 5.500 3.869 3.174 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 72 ALA H 1 72 ALA HA 2.900 . 4.000 2.734 2.705 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 72 ALA H 1 72 ALA MB 2.400 . 3.100 2.067 1.991 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 72 ALA H 1 73 VAL H 2.600 . 3.400 2.910 2.805 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 72 ALA HA 1 73 VAL H 3.000 . 4.100 3.536 3.508 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 72 ALA HA 1 73 VAL HA 2.800 . 5.500 4.827 4.780 4.865 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 72 ALA HA 1 76 LEU H 3.100 . 4.300 2.848 2.604 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 72 ALA MB 1 73 VAL H 2.400 . 3.100 2.398 2.088 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 72 ALA MB 1 73 VAL HA 3.300 . 4.700 3.626 3.548 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 72 ALA MB 1 73 VAL QG 2.700 . 3.600 3.001 2.667 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 72 ALA MB 1 77 GLN H 3.400 . 5.500 4.942 4.553 5.398 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 73 VAL H 1 73 VAL HA 2.500 . 3.300 2.764 2.745 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 73 VAL H 1 73 VAL HB 2.900 . 4.000 2.801 2.496 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 73 VAL H 1 73 VAL QG 2.700 . 3.000 1.969 1.689 2.177 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 73 VAL H 1 74 ALA H 2.600 . 3.400 2.799 2.709 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 73 VAL H 1 76 LEU H 2.700 . 5.500 4.833 4.730 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 73 VAL HA 1 73 VAL QG 2.900 . 3.600 2.120 2.002 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 73 VAL HA 1 74 ALA H 3.400 . 4.800 3.524 3.483 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 73 VAL HA 1 74 ALA MB 2.700 . 5.500 5.002 4.963 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 73 VAL HA 1 75 VAL H 2.800 . 5.500 5.061 4.949 5.405 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 73 VAL HA 1 76 LEU H 3.200 . 4.500 4.515 4.310 4.630 0.130 10 0 "[ . 1 . 2 . 3]" 1
968 1 73 VAL HA 1 77 GLN H 2.900 . 4.000 3.269 3.002 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 73 VAL HB 1 73 VAL QG 2.000 . 2.500 1.874 1.851 1.894 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 73 VAL MG1 1 73 VAL MG2 1.900 . 2.400 1.989 1.870 2.097 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 73 VAL QG 1 77 GLN H 3.300 . 4.700 4.091 3.803 4.718 0.018 1 0 "[ . 1 . 2 . 3]" 1
972 1 73 VAL QG 1 77 GLN QG 3.100 . 4.300 3.450 2.439 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 74 ALA H 1 74 ALA HA 2.200 . 2.800 2.846 2.836 2.853 0.053 17 0 "[ . 1 . 2 . 3]" 1
974 1 74 ALA H 1 74 ALA MB 2.300 . 3.000 2.092 2.025 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 74 ALA HA 1 74 ALA MB 1.900 . 2.400 2.094 2.082 2.123 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 74 ALA MB 1 75 VAL H 2.500 . 3.300 2.378 2.175 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 74 ALA MB 1 75 VAL QG 3.000 . 4.100 3.232 2.803 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 74 ALA MB 1 77 GLN H 2.800 . 5.500 4.174 4.034 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 75 VAL H 1 75 VAL HA 2.900 . 4.000 2.814 2.755 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 75 VAL H 1 75 VAL HB 2.400 . 3.100 2.876 2.530 3.245 0.145 12 0 "[ . 1 . 2 . 3]" 1
981 1 75 VAL H 1 75 VAL QG 2.500 . 3.600 1.821 1.745 2.017 0.055 12 0 "[ . 1 . 2 . 3]" 1
982 1 75 VAL H 1 75 VAL QG 2.500 . 3.300 1.809 1.729 1.978 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 75 VAL H 1 77 GLN H 2.800 . 5.500 4.469 4.067 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 75 VAL H 2 5 LYS H 2.700 . 5.500 4.643 4.080 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 75 VAL H 2 5 LYS HA 3.200 . 5.500 5.590 5.512 5.673 0.173 25 0 "[ . 1 . 2 . 3]" 1
986 1 75 VAL H 2 5 LYS QB 2.500 . 3.300 3.197 3.019 3.359 0.059 4 0 "[ . 1 . 2 . 3]" 1
987 1 75 VAL HA 1 75 VAL QG 2.000 . 2.700 2.178 1.913 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 75 VAL HA 1 78 ALA H 2.900 . 4.000 3.675 3.385 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 75 VAL HA 1 78 ALA MB 2.200 . 2.800 2.660 2.420 2.841 0.041 20 0 "[ . 1 . 2 . 3]" 1
990 1 75 VAL HA 1 79 HIS HD2 4.000 . 5.000 4.056 3.097 5.008 0.008 7 0 "[ . 1 . 2 . 3]" 1
991 1 75 VAL HA 2 5 LYS H 3.100 . 4.300 4.286 4.092 4.377 0.077 21 0 "[ . 1 . 2 . 3]" 1
992 1 75 VAL HB 1 75 VAL QG 2.100 . 2.700 1.867 1.842 1.893 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 75 VAL HB 1 76 LEU H 2.500 . 3.300 3.037 2.175 3.671 0.371 29 0 "[ . 1 . 2 . 3]" 1
994 1 75 VAL MG1 1 75 VAL MG2 2.000 . 2.500 2.008 1.915 2.105 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 75 VAL QG 1 76 LEU H 2.900 . 4.000 2.148 1.690 2.913 0.110 15 0 "[ . 1 . 2 . 3]" 1
996 1 75 VAL QG 1 79 HIS H 4.000 . 5.000 3.606 3.029 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 75 VAL QG 2 5 LYS H 3.600 . 5.000 2.369 1.871 3.213 0.129 13 0 "[ . 1 . 2 . 3]" 1
998 1 75 VAL QG 2 5 LYS QB 2.500 . 3.300 1.830 1.658 2.141 0.042 3 0 "[ . 1 . 2 . 3]" 1
999 1 75 VAL QG 2 7 SER H 3.400 . 4.800 3.177 2.920 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 75 VAL QG 2 8 VAL HA 2.000 . 2.500 2.053 1.724 2.548 0.048 10 0 "[ . 1 . 2 . 3]" 1
1001 1 75 VAL QG 2 9 ASN H 3.100 . 4.300 2.901 2.474 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 76 LEU H 1 76 LEU HA 2.800 . 3.800 2.745 2.734 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 76 LEU H 1 76 LEU HA 2.700 . 3.600 2.368 2.208 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 76 LEU H 1 76 LEU HB2 2.400 . 3.100 2.499 2.124 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 76 LEU H 1 76 LEU HB3 2.400 . 3.100 2.740 2.216 3.585 0.485 7 0 "[ . 1 . 2 . 3]" 1
1006 1 76 LEU H 1 77 GLN H 2.600 . 3.400 3.009 2.828 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 76 LEU HA 1 76 LEU HB2 2.400 . 3.100 2.533 2.261 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 76 LEU HA 1 79 HIS H 3.300 . 4.700 3.333 2.967 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 76 LEU HB3 1 77 GLN H 2.600 . 3.400 2.444 1.948 3.661 0.261 27 0 "[ . 1 . 2 . 3]" 1
1010 1 76 LEU QD 2 9 ASN H 3.700 . 5.400 4.894 3.033 5.514 0.114 10 0 "[ . 1 . 2 . 3]" 1
1011 1 77 GLN H 1 77 GLN HB2 3.100 . 4.300 2.328 2.095 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 77 GLN H 1 77 GLN HB3 2.400 . 3.100 2.985 2.382 3.581 0.481 27 0 "[ . 1 . 2 . 3]" 1
1013 1 77 GLN H 1 77 GLN QG 3.000 . 4.100 3.676 2.687 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 77 GLN H 1 78 ALA H 2.700 . 3.600 2.738 2.653 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 77 GLN HA 1 79 HIS H 2.500 . 5.500 4.988 4.413 5.546 0.046 23 0 "[ . 1 . 2 . 3]" 1
1016 1 78 ALA H 1 79 HIS H 3.100 . 4.300 2.560 2.376 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 78 ALA HA 1 78 ALA MB 2.100 . 2.700 2.110 2.080 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 78 ALA HA 1 79 HIS H 2.400 . 5.500 3.569 3.522 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 78 ALA HA 1 81 ALA MB 1.700 . 5.500 4.161 2.627 5.519 0.019 16 0 "[ . 1 . 2 . 3]" 1
1020 1 78 ALA MB 1 79 HIS HD2 3.100 . 4.300 3.932 3.309 4.330 0.030 28 0 "[ . 1 . 2 . 3]" 1
1021 1 79 HIS H 1 79 HIS HA 2.500 . 3.300 2.830 2.784 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 79 HIS H 1 79 HIS HB2 2.500 . 3.300 2.113 2.059 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 79 HIS H 1 79 HIS HB3 2.500 . 3.300 3.357 3.172 3.503 0.203 14 0 "[ . 1 . 2 . 3]" 1
1024 1 79 HIS H 1 81 ALA H 3.200 . 5.500 4.824 4.000 5.503 0.003 17 0 "[ . 1 . 2 . 3]" 1
1025 1 79 HIS H 2 9 ASN QB 3.100 . 4.300 4.321 4.217 4.424 0.124 23 0 "[ . 1 . 2 . 3]" 1
1026 1 79 HIS HA 1 79 HIS HB2 2.400 . 3.100 2.903 2.795 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 79 HIS HA 1 79 HIS HD2 3.100 . 4.300 3.830 3.351 4.306 0.006 12 0 "[ . 1 . 2 . 3]" 1
1028 1 79 HIS HA 1 81 ALA H 3.600 . 5.200 3.869 3.071 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 79 HIS HB2 1 79 HIS HD2 2.900 . 4.000 2.767 2.689 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 79 HIS HB2 2 8 VAL QG 3.500 . 5.000 5.185 4.682 5.516 0.516 1 1 "[+ . 1 . 2 . 3]" 1
1031 1 79 HIS HB2 2 9 ASN H 2.700 . 3.600 3.960 3.886 4.119 0.519 10 1 "[ . + . 2 . 3]" 1
1032 1 79 HIS HB3 1 79 HIS HD2 2.700 . 5.500 3.845 3.691 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 79 HIS HB3 2 8 VAL QG 3.600 . 5.400 5.638 4.742 5.899 0.499 6 0 "[ . 1 . 2 . 3]" 1
1034 1 79 HIS HB3 2 9 ASN H 2.800 . 3.800 4.292 4.083 4.454 0.654 17 14 "[ ** *- * 1****.*+ 2 ** *3]" 1
1035 1 79 HIS HD2 2 8 VAL HA 3.700 . 5.400 4.974 4.091 5.405 0.005 25 0 "[ . 1 . 2 . 3]" 1
1036 1 79 HIS HD2 2 8 VAL QG 3.700 . 4.800 4.270 3.494 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 79 HIS HD2 2 9 ASN H 2.600 . 5.500 4.296 3.588 4.726 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 79 HIS HD2 2 9 ASN QB 3.800 . 5.500 4.215 3.591 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 81 ALA H 1 81 ALA HA 2.800 . 3.800 2.847 2.272 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 81 ALA H 1 81 ALA MB 2.600 . 3.400 2.365 2.031 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 81 ALA MB 1 82 LYS H 3.000 . 4.100 3.081 2.002 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 82 LYS H 1 82 LYS HB3 2.500 . 3.300 3.278 2.543 3.615 0.315 9 0 "[ . 1 . 2 . 3]" 1
1043 1 82 LYS H 1 82 LYS QG 2.800 . 3.800 2.913 1.842 3.839 0.039 1 0 "[ . 1 . 2 . 3]" 1
1044 2 5 LYS H 2 5 LYS HA 2.600 . 3.400 2.906 2.882 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
1045 2 5 LYS H 2 5 LYS QB 2.400 . 3.100 2.494 2.161 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
1046 2 5 LYS H 2 5 LYS QG 2.800 . 3.600 2.644 1.973 3.640 0.040 4 0 "[ . 1 . 2 . 3]" 1
1047 2 5 LYS H 2 6 LEU H 4.200 . 5.500 4.461 4.338 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
1048 2 5 LYS HA 2 6 LEU H 2.300 . 5.500 2.650 2.381 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
1049 2 5 LYS HA 2 6 LEU H 2.700 . 3.600 2.432 2.264 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
1050 2 5 LYS QB 2 6 LEU H 2.100 . 2.700 2.037 1.833 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
1051 2 5 LYS QG 2 6 LEU H 3.000 . 4.100 3.892 3.256 4.160 0.060 1 0 "[ . 1 . 2 . 3]" 1
1052 2 6 LEU H 2 6 LEU HA 2.400 . 3.100 2.839 2.818 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
1053 2 6 LEU H 2 7 SER H 3.700 . 5.400 2.605 2.296 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
1054 2 6 LEU HA 2 7 SER H 2.600 . 5.500 3.541 3.489 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
1055 2 6 LEU QB 2 7 SER H 3.000 . 5.500 2.625 2.538 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
1056 2 6 LEU MD1 2 7 SER H 3.100 . 4.300 4.073 2.636 4.385 0.085 17 0 "[ . 1 . 2 . 3]" 1
1057 2 7 SER H 2 7 SER HA 2.700 . 3.600 2.939 2.908 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
1058 2 7 SER H 2 7 SER HB3 2.700 . 3.600 3.386 2.460 3.748 0.148 5 0 "[ . 1 . 2 . 3]" 1
1059 2 7 SER H 2 8 VAL H 3.700 . 5.400 3.965 3.576 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
1060 2 8 VAL H 2 8 VAL HA 2.700 . 3.600 2.837 2.755 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
1061 2 8 VAL H 2 8 VAL HB 3.500 . 5.000 3.522 2.411 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
1062 2 8 VAL H 2 8 VAL QG 2.600 . 3.400 2.033 1.855 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
1063 2 8 VAL H 2 9 ASN H 3.700 . 5.400 4.516 4.257 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
1064 2 8 VAL H 2 10 ALA H 3.800 . 5.500 4.308 3.482 4.807 . 0 0 "[ . 1 . 2 . 3]" 1
1065 2 8 VAL HA 2 8 VAL QG 2.900 . 3.800 2.222 2.086 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
1066 2 8 VAL MG1 2 8 VAL MG2 2.500 . 3.300 2.035 1.888 2.097 . 0 0 "[ . 1 . 2 . 3]" 1
1067 2 8 VAL QG 2 9 ASN H 2.800 . 3.800 2.723 1.875 3.036 0.025 4 0 "[ . 1 . 2 . 3]" 1
1068 2 8 VAL QG 2 9 ASN HA 4.200 . 5.500 4.092 3.624 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
1069 2 9 ASN H 2 9 ASN QB 2.700 . 3.600 2.376 2.144 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
1070 2 9 ASN H 2 10 ALA H 2.900 . 4.000 3.529 3.370 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
1071 2 9 ASN H 2 10 ALA MB 3.600 . 5.500 4.931 4.816 5.062 . 0 0 "[ . 1 . 2 . 3]" 1
1072 2 9 ASN QB 2 10 ALA H 3.600 . 5.200 4.025 3.940 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
1073 2 9 ASN QB 2 10 ALA MB 3.500 . 5.500 5.111 4.988 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
1074 2 10 ALA H 2 10 ALA MB 2.600 . 3.400 2.039 1.986 2.179 . 0 0 "[ . 1 . 2 . 3]" 1
1075 2 10 ALA MB 2 12 GLU H 2.700 . 5.500 5.401 5.258 5.503 0.003 12 0 "[ . 1 . 2 . 3]" 1
1076 2 12 GLU H 2 12 GLU HA 3.000 . 4.100 2.892 2.887 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
1077 2 12 GLU H 2 12 GLU QB 2.300 . 3.000 2.209 2.091 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
1078 2 12 GLU H 2 13 PHE H 3.600 . 5.200 4.430 4.384 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
1079 2 12 GLU HA 2 13 PHE H 2.300 . 3.000 2.608 2.563 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
1080 2 12 GLU QB 2 14 TYR QD 2.700 . 3.600 3.140 2.481 3.617 0.017 15 0 "[ . 1 . 2 . 3]" 1
1081 2 12 GLU HB2 2 14 TYR QE 3.600 . 5.200 3.808 2.384 5.570 0.370 21 0 "[ . 1 . 2 . 3]" 1
1082 2 13 PHE H 2 13 PHE HA 2.700 . 3.600 2.939 2.929 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
1083 2 13 PHE H 2 13 PHE HB2 2.800 . 3.800 3.757 3.730 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
1084 2 13 PHE H 2 13 PHE HB3 2.700 . 3.600 2.864 2.781 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
1085 2 13 PHE H 2 13 PHE QE 3.400 . 4.800 3.955 3.791 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
1086 2 13 PHE HA 2 13 PHE QD 4.400 . 5.500 3.719 3.690 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
1087 2 13 PHE HA 2 14 TYR H 2.400 . 3.100 2.077 1.956 2.123 . 0 0 "[ . 1 . 2 . 3]" 1
1088 2 13 PHE HA 2 14 TYR QD 3.900 . 5.500 4.217 3.196 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
1089 2 13 PHE HB2 2 14 TYR H 3.600 . 5.200 3.493 3.380 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
1090 2 13 PHE HB3 2 14 TYR H 3.700 . 5.400 4.328 4.230 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
1091 2 14 TYR H 2 14 TYR HA 3.000 . 4.100 2.941 2.934 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
1092 2 14 TYR H 2 14 TYR HB2 3.000 . 4.100 2.604 2.419 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
1093 2 14 TYR H 2 14 TYR HB3 3.600 . 5.200 3.537 3.216 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
1094 2 14 TYR H 2 14 TYR QD 3.200 . 4.500 3.395 2.457 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
1095 2 14 TYR HA 2 14 TYR QD 3.200 . 4.500 2.726 1.980 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
1096 2 14 TYR HB2 2 14 TYR QD 2.800 . 3.800 2.483 2.276 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
1097 2 14 TYR HB3 2 14 TYR QD 2.800 . 3.800 2.432 2.281 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
1098 2 15 PRO HA 2 16 SER H 2.500 . 3.300 2.246 2.214 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
1099 2 16 SER H 2 16 SER HB2 2.600 . 3.400 2.405 2.052 3.556 0.156 25 0 "[ . 1 . 2 . 3]" 1
1100 2 16 SER H 2 17 GLY H 3.400 . 4.800 3.005 2.858 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
1101 2 16 SER H 2 18 TYR QD 3.700 . 5.400 5.530 5.462 5.580 0.180 14 0 "[ . 1 . 2 . 3]" 1
1102 2 16 SER HA 2 17 GLY H 2.700 . 3.600 3.564 3.544 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
1103 2 16 SER HB3 2 17 GLY H 3.200 . 5.500 2.488 1.893 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
1104 2 17 GLY H 2 17 GLY HA2 2.400 . 3.100 2.895 2.881 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
1105 2 17 GLY H 2 17 GLY HA3 2.700 . 3.600 2.326 2.309 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
1106 2 17 GLY H 2 18 TYR H 2.900 . 5.500 3.479 3.416 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
1107 2 17 GLY HA2 2 18 TYR H 2.800 . 3.800 2.654 2.628 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
1108 2 18 TYR H 2 18 TYR HA 2.600 . 3.400 2.834 2.791 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
1109 2 18 TYR H 2 18 TYR HB2 2.900 . 4.000 2.204 2.101 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
1110 2 18 TYR H 2 18 TYR HB3 2.200 . 2.800 2.898 2.764 3.031 0.231 15 0 "[ . 1 . 2 . 3]" 1
1111 2 18 TYR H 2 18 TYR QD 3.700 . 5.400 3.910 3.670 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
1112 2 18 TYR HA 2 18 TYR QD 3.000 . 4.100 2.297 1.890 2.837 0.010 2 0 "[ . 1 . 2 . 3]" 1
1113 2 18 TYR HA 2 19 SER H 2.400 . 3.100 2.285 2.140 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
1114 2 18 TYR HA 2 19 SER HB2 3.500 . 5.000 4.703 4.229 5.720 0.720 18 3 "[ . - . + 2 . *3]" 1
1115 2 18 TYR HB2 2 18 TYR QD 3.000 . 4.100 2.637 2.440 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
1116 2 18 TYR HB2 2 19 SER H 4.100 . 5.500 4.436 4.050 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
1117 2 18 TYR HB3 2 18 TYR QD 2.500 . 3.300 2.293 2.268 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
1118 2 18 TYR HB3 2 19 SER H 3.400 . 4.800 3.921 3.411 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
1119 2 18 TYR QD 2 19 SER H 3.600 . 5.200 3.761 3.011 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
1120 2 19 SER H 2 19 SER HA 2.500 . 3.300 2.897 2.852 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
1121 2 19 SER H 2 19 SER HB2 4.100 . 5.500 2.607 2.134 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
1122 2 19 SER H 2 19 SER HB3 2.700 . 3.600 3.045 2.367 3.639 0.039 9 0 "[ . 1 . 2 . 3]" 1
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