NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622695 |
5ob4   |
34154 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ob4
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 644
_Distance_constraint_stats_list.Viol_count 1190
_Distance_constraint_stats_list.Viol_total 1563.169
_Distance_constraint_stats_list.Viol_max 0.891
_Distance_constraint_stats_list.Viol_rms 0.0885
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0243
_Distance_constraint_stats_list.Viol_average_violations_only 0.1314
_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 1 GLY 0.000 0.000 . 0 "[ . 1]"
1 2 CYS 0.000 0.000 . 0 "[ . 1]"
1 3 PRO 0.131 0.131 10 0 "[ . 1]"
1 4 ALA 0.435 0.304 10 0 "[ . 1]"
1 5 GLU 0.304 0.304 10 0 "[ . 1]"
1 6 GLN 0.032 0.031 7 0 "[ . 1]"
1 7 ARG 0.481 0.267 7 0 "[ . 1]"
1 8 ALA 1.452 0.226 9 0 "[ . 1]"
1 9 SER 1.236 0.136 1 0 "[ . 1]"
1 10 PRO 1.006 0.120 6 0 "[ . 1]"
1 11 LEU 3.684 0.257 5 0 "[ . 1]"
1 12 THR 4.469 0.422 9 0 "[ . 1]"
1 13 SER 0.013 0.009 2 0 "[ . 1]"
1 14 ILE 3.724 0.144 10 0 "[ . 1]"
1 15 ILE 3.798 0.192 6 0 "[ . 1]"
1 16 SER 0.000 0.000 . 0 "[ . 1]"
1 17 ALA 3.739 0.197 3 0 "[ . 1]"
1 18 VAL 11.358 0.885 9 2 "[ . +-]"
1 19 VAL 2.493 0.174 6 0 "[ . 1]"
1 20 GLY 0.696 0.108 10 0 "[ . 1]"
1 21 ILE 7.047 0.246 5 0 "[ . 1]"
1 22 LEU 37.054 0.891 9 10 [********+-]
1 23 LEU 12.190 0.869 6 10 [*****+***-]
1 24 VAL 5.407 0.350 7 0 "[ . 1]"
1 25 VAL 4.554 0.279 5 0 "[ . 1]"
1 26 VAL 8.101 0.562 9 2 "[ . +-]"
1 27 LEU 10.457 0.361 2 0 "[ . 1]"
1 28 GLY 0.950 0.097 10 0 "[ . 1]"
1 29 VAL 1.624 0.111 7 0 "[ . 1]"
1 30 VAL 4.363 0.127 10 0 "[ . 1]"
1 31 PHE 7.125 0.378 4 0 "[ . 1]"
1 32 GLY 0.000 0.000 . 0 "[ . 1]"
1 33 ILE 0.340 0.054 9 0 "[ . 1]"
1 34 LEU 0.429 0.048 2 0 "[ . 1]"
1 35 ILE 3.512 0.265 1 0 "[ . 1]"
1 36 LYS 0.271 0.033 2 0 "[ . 1]"
1 37 ARG 0.028 0.021 2 0 "[ . 1]"
1 38 ARG 0.200 0.048 2 0 "[ . 1]"
1 39 GLN 0.415 0.096 6 0 "[ . 1]"
1 40 GLN 0.000 0.000 . 0 "[ . 1]"
1 41 LYS 0.000 0.000 . 0 "[ . 1]"
1 42 ILE 0.000 0.000 . 0 "[ . 1]"
1 43 ARG 0.000 0.000 . 0 "[ . 1]"
1 44 LYS 0.000 0.000 . 0 "[ . 1]"
2 1 GLY 0.000 0.000 . 0 "[ . 1]"
2 2 CYS 0.000 0.000 . 0 "[ . 1]"
2 3 PRO 0.130 0.130 10 0 "[ . 1]"
2 4 ALA 0.554 0.424 6 0 "[ . 1]"
2 5 GLU 0.433 0.424 6 0 "[ . 1]"
2 6 GLN 0.788 0.737 8 1 "[ . + 1]"
2 7 ARG 1.566 0.737 8 1 "[ . + 1]"
2 8 ALA 1.705 0.452 6 0 "[ . 1]"
2 9 SER 1.250 0.141 6 0 "[ . 1]"
2 10 PRO 1.021 0.119 2 0 "[ . 1]"
2 11 LEU 3.531 0.256 5 0 "[ . 1]"
2 12 THR 4.774 0.452 6 0 "[ . 1]"
2 13 SER 0.021 0.008 6 0 "[ . 1]"
2 14 ILE 3.711 0.144 10 0 "[ . 1]"
2 15 ILE 3.855 0.191 6 0 "[ . 1]"
2 16 SER 0.000 0.000 . 0 "[ . 1]"
2 17 ALA 3.711 0.195 3 0 "[ . 1]"
2 18 VAL 11.428 0.891 9 2 "[ . +-]"
2 19 VAL 2.582 0.177 6 0 "[ . 1]"
2 20 GLY 0.714 0.107 10 0 "[ . 1]"
2 21 ILE 7.022 0.244 5 0 "[ . 1]"
2 22 LEU 37.079 0.885 9 10 [********+-]
2 23 LEU 12.194 0.869 5 10 [****+****-]
2 24 VAL 5.443 0.362 4 0 "[ . 1]"
2 25 VAL 4.511 0.279 5 0 "[ . 1]"
2 26 VAL 8.120 0.561 10 2 "[ . -+]"
2 27 LEU 10.498 0.378 4 0 "[ . 1]"
2 28 GLY 0.934 0.097 3 0 "[ . 1]"
2 29 VAL 1.621 0.110 7 0 "[ . 1]"
2 30 VAL 4.409 0.155 4 0 "[ . 1]"
2 31 PHE 7.212 0.361 2 0 "[ . 1]"
2 32 GLY 0.002 0.002 10 0 "[ . 1]"
2 33 ILE 0.297 0.053 9 0 "[ . 1]"
2 34 LEU 0.419 0.053 2 0 "[ . 1]"
2 35 ILE 3.584 0.265 1 0 "[ . 1]"
2 36 LYS 0.283 0.032 2 0 "[ . 1]"
2 37 ARG 0.041 0.028 2 0 "[ . 1]"
2 38 ARG 0.213 0.053 2 0 "[ . 1]"
2 39 GLN 0.557 0.143 6 0 "[ . 1]"
2 40 GLN 0.000 0.000 . 0 "[ . 1]"
2 41 LYS 0.000 0.000 . 0 "[ . 1]"
2 42 ILE 0.000 0.000 . 0 "[ . 1]"
2 43 ARG 0.000 0.000 . 0 "[ . 1]"
2 44 LYS 0.000 0.000 . 0 "[ . 1]"
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 1 GLY QA 1 2 CYS H . . 3.750 2.361 2.137 2.829 . 0 0 "[ . 1]" 1
2 1 3 PRO HA 1 4 ALA H . . 3.250 2.536 2.277 3.381 0.131 10 0 "[ . 1]" 1
3 1 4 ALA HA 1 5 GLU H . . 3.110 2.511 2.167 3.414 0.304 10 0 "[ . 1]" 1
4 1 5 GLU H 1 5 GLU HB2 . . 3.830 2.562 2.074 3.598 . 0 0 "[ . 1]" 1
5 1 5 GLU H 1 5 GLU HB3 . . 3.410 2.992 2.527 3.380 . 0 0 "[ . 1]" 1
6 1 5 GLU H 1 5 GLU QG . . 4.120 3.352 1.937 4.096 . 0 0 "[ . 1]" 1
7 1 5 GLU HA 1 6 GLN H . . 3.190 2.303 2.139 2.763 . 0 0 "[ . 1]" 1
8 1 6 GLN H 1 6 GLN HB2 . . 3.470 2.522 2.160 3.408 . 0 0 "[ . 1]" 1
9 1 6 GLN H 1 6 GLN HB3 . . 3.880 3.166 2.660 3.711 . 0 0 "[ . 1]" 1
10 1 6 GLN H 1 6 GLN QG . . 4.130 3.527 2.534 4.131 0.001 4 0 "[ . 1]" 1
11 1 6 GLN HA 1 7 ARG H . . 2.780 2.344 2.159 2.811 0.031 7 0 "[ . 1]" 1
12 1 7 ARG H 1 7 ARG HB2 . . 3.790 2.770 2.101 3.653 . 0 0 "[ . 1]" 1
13 1 7 ARG H 1 7 ARG HB3 . . 3.280 2.856 2.314 3.264 . 0 0 "[ . 1]" 1
14 1 7 ARG H 1 7 ARG QG . . 3.650 3.327 1.938 3.917 0.267 7 0 "[ . 1]" 1
15 1 8 ALA HA 1 9 SER H . . 2.760 2.457 2.345 2.561 . 0 0 "[ . 1]" 1
16 1 8 ALA MB 1 12 THR HA . . 4.310 4.455 4.384 4.536 0.226 9 0 "[ . 1]" 1
17 1 9 SER H 1 9 SER HB2 . . 3.310 2.084 2.078 2.089 . 0 0 "[ . 1]" 1
18 1 9 SER H 1 9 SER HB3 . . 3.220 3.344 3.326 3.356 0.136 1 0 "[ . 1]" 1
19 1 9 SER HB2 1 11 LEU H . . 4.300 3.768 3.733 3.844 . 0 0 "[ . 1]" 1
20 1 9 SER HB3 1 11 LEU H . . 3.560 2.118 2.105 2.159 . 0 0 "[ . 1]" 1
21 1 9 SER HB3 1 12 THR H . . 4.510 3.161 2.715 3.422 . 0 0 "[ . 1]" 1
22 1 10 PRO HA 1 11 LEU H . . 3.500 3.418 3.410 3.444 . 0 0 "[ . 1]" 1
23 1 10 PRO HA 1 12 THR H . . 4.660 4.202 3.711 4.514 . 0 0 "[ . 1]" 1
24 1 10 PRO HA 1 13 SER H . . 4.360 3.947 3.847 4.154 . 0 0 "[ . 1]" 1
25 1 10 PRO HB2 1 11 LEU H . . 3.620 3.721 3.649 3.740 0.120 6 0 "[ . 1]" 1
26 1 10 PRO HB3 1 11 LEU H . . 4.450 4.366 4.325 4.377 . 0 0 "[ . 1]" 1
27 1 11 LEU H 1 12 THR H . . 3.170 2.404 2.327 2.477 . 0 0 "[ . 1]" 1
28 1 11 LEU HA 1 11 LEU MD1 . . 3.320 3.323 3.300 3.354 0.034 9 0 "[ . 1]" 1
29 1 11 LEU HA 1 11 LEU MD2 . . 2.980 1.955 1.914 2.000 . 0 0 "[ . 1]" 1
30 1 11 LEU HA 1 12 THR H . . 3.460 3.496 3.410 3.521 0.061 9 0 "[ . 1]" 1
31 1 11 LEU HA 1 13 SER H . . 4.250 3.872 3.778 4.224 . 0 0 "[ . 1]" 1
32 1 11 LEU HA 1 14 ILE MD . . 3.680 2.590 1.889 3.377 . 0 0 "[ . 1]" 1
33 1 11 LEU HA 1 15 ILE H . . 4.830 4.485 4.396 4.668 . 0 0 "[ . 1]" 1
34 1 11 LEU HB2 1 12 THR H . . 3.910 3.948 3.909 4.069 0.159 5 0 "[ . 1]" 1
35 1 11 LEU HB3 1 12 THR H . . 3.600 2.784 2.672 3.131 . 0 0 "[ . 1]" 1
36 1 11 LEU MD1 1 12 THR H . . 4.290 3.342 3.183 3.769 . 0 0 "[ . 1]" 1
37 1 11 LEU MD2 1 11 LEU HG . . 2.400 2.121 2.104 2.128 . 0 0 "[ . 1]" 1
38 1 11 LEU MD2 1 12 THR H . . 4.070 4.248 4.195 4.327 0.257 5 0 "[ . 1]" 1
39 1 11 LEU MD2 1 14 ILE HB . . 3.590 2.000 1.910 2.279 . 0 0 "[ . 1]" 1
40 1 12 THR H 1 12 THR HB . . 3.180 2.508 2.340 3.602 0.422 9 0 "[ . 1]" 1
41 1 12 THR H 1 12 THR HG1 . . 4.530 4.335 3.736 4.522 . 0 0 "[ . 1]" 1
42 1 12 THR H 1 12 THR MG . . 3.010 2.388 2.071 2.530 . 0 0 "[ . 1]" 1
43 1 12 THR HA 1 12 THR MG . . 3.240 3.113 2.379 3.201 . 0 0 "[ . 1]" 1
44 1 12 THR HA 1 15 ILE H . . 4.390 3.521 3.382 3.617 . 0 0 "[ . 1]" 1
45 1 12 THR HA 1 15 ILE MD . . 4.240 2.760 2.121 4.261 0.021 4 0 "[ . 1]" 1
46 1 12 THR MG 1 13 SER H . . 4.270 2.143 1.923 3.692 . 0 0 "[ . 1]" 1
47 1 13 SER H 1 13 SER HA . . 3.050 2.802 2.757 2.835 . 0 0 "[ . 1]" 1
48 1 13 SER H 1 13 SER HB2 . . 3.140 2.473 2.075 3.149 0.009 2 0 "[ . 1]" 1
49 1 13 SER H 1 13 SER HB3 . . 3.400 3.121 2.862 3.399 . 0 0 "[ . 1]" 1
50 1 13 SER HA 1 15 ILE H . . 4.880 4.538 4.457 4.599 . 0 0 "[ . 1]" 1
51 1 13 SER HA 1 16 SER H . . 4.290 3.801 3.741 3.928 . 0 0 "[ . 1]" 1
52 1 13 SER HA 1 17 ALA H . . 5.160 4.420 4.340 4.454 . 0 0 "[ . 1]" 1
53 1 13 SER HB2 1 14 ILE H . . 3.510 3.125 2.481 3.514 0.004 6 0 "[ . 1]" 1
54 1 14 ILE H 1 14 ILE HB . . 3.000 2.563 2.545 2.588 . 0 0 "[ . 1]" 1
55 1 14 ILE H 1 14 ILE HG12 . . 3.770 3.461 3.202 3.811 0.041 2 0 "[ . 1]" 1
56 1 14 ILE H 1 14 ILE MG . . 3.620 3.763 3.762 3.764 0.144 10 0 "[ . 1]" 1
57 1 14 ILE H 1 15 ILE H . . 2.990 2.736 2.702 2.769 . 0 0 "[ . 1]" 1
58 1 14 ILE HA 1 14 ILE MD . . 3.690 3.705 3.508 3.815 0.125 6 0 "[ . 1]" 1
59 1 14 ILE HA 1 14 ILE MG . . 2.920 2.329 2.302 2.352 . 0 0 "[ . 1]" 1
60 1 14 ILE HA 1 15 ILE H . . 4.460 3.544 3.534 3.551 . 0 0 "[ . 1]" 1
61 1 14 ILE HA 1 17 ALA H . . 4.290 3.457 3.432 3.487 . 0 0 "[ . 1]" 1
62 1 14 ILE HA 1 17 ALA MB . . 2.860 2.447 2.240 2.644 . 0 0 "[ . 1]" 1
63 1 14 ILE HA 1 18 VAL H . . 4.420 4.049 3.914 4.151 . 0 0 "[ . 1]" 1
64 1 14 ILE HB 1 14 ILE MD . . 3.190 2.321 2.143 2.421 . 0 0 "[ . 1]" 1
65 1 14 ILE MD 1 14 ILE HG12 . . 2.590 2.106 2.072 2.118 . 0 0 "[ . 1]" 1
66 1 14 ILE HG13 1 14 ILE MG . . 3.070 3.050 2.806 3.186 0.116 1 0 "[ . 1]" 1
67 1 14 ILE MG 1 15 ILE H . . 3.610 3.465 3.382 3.513 . 0 0 "[ . 1]" 1
68 1 14 ILE MG 1 15 ILE HA . . 3.620 3.598 3.501 3.643 0.023 5 0 "[ . 1]" 1
69 1 14 ILE MG 1 17 ALA MB . . 3.120 3.185 3.151 3.239 0.119 10 0 "[ . 1]" 1
70 1 15 ILE H 1 15 ILE HB . . 3.190 2.400 2.242 2.606 . 0 0 "[ . 1]" 1
71 1 15 ILE H 1 15 ILE HG12 . . 3.980 3.459 2.018 3.960 . 0 0 "[ . 1]" 1
72 1 15 ILE H 1 15 ILE HG13 . . 3.380 2.548 2.044 3.465 0.085 4 0 "[ . 1]" 1
73 1 15 ILE H 1 16 SER H . . 3.430 2.896 2.841 2.967 . 0 0 "[ . 1]" 1
74 1 15 ILE HA 1 15 ILE MD . . 3.630 3.585 2.068 3.778 0.148 3 0 "[ . 1]" 1
75 1 15 ILE HA 1 15 ILE MG . . 2.970 2.518 2.318 2.659 . 0 0 "[ . 1]" 1
76 1 15 ILE HA 1 16 SER H . . 4.010 3.565 3.562 3.570 . 0 0 "[ . 1]" 1
77 1 15 ILE HA 1 17 ALA H . . 5.140 4.311 4.198 4.371 . 0 0 "[ . 1]" 1
78 1 15 ILE HA 1 18 VAL H . . 3.730 3.785 3.761 3.821 0.091 5 0 "[ . 1]" 1
79 1 15 ILE HA 1 18 VAL MG2 . . 3.040 2.745 2.698 2.806 . 0 0 "[ . 1]" 1
80 1 15 ILE HA 1 19 VAL H . . 4.540 4.143 4.082 4.187 . 0 0 "[ . 1]" 1
81 1 15 ILE HA 1 19 VAL MG2 . . 3.750 3.770 3.726 3.781 0.031 2 0 "[ . 1]" 1
82 1 15 ILE HB 1 15 ILE MD . . 3.360 2.485 2.338 3.225 . 0 0 "[ . 1]" 1
83 1 15 ILE HB 1 16 SER H . . 3.520 2.455 2.230 2.615 . 0 0 "[ . 1]" 1
84 1 15 ILE HG13 1 15 ILE MG . . 3.010 3.117 2.369 3.202 0.192 6 0 "[ . 1]" 1
85 1 15 ILE MG 1 16 SER H . . 3.550 2.829 2.492 3.156 . 0 0 "[ . 1]" 1
86 1 15 ILE MG 1 16 SER HA . . 3.510 3.012 2.831 3.342 . 0 0 "[ . 1]" 1
87 1 16 SER H 1 16 SER HA . . 3.060 2.790 2.786 2.795 . 0 0 "[ . 1]" 1
88 1 16 SER H 1 16 SER HB3 . . 3.880 2.456 2.070 3.019 . 0 0 "[ . 1]" 1
89 1 16 SER H 1 17 ALA H . . 3.450 2.708 2.677 2.728 . 0 0 "[ . 1]" 1
90 1 16 SER HA 1 19 VAL H . . 4.280 3.809 3.778 3.838 . 0 0 "[ . 1]" 1
91 1 16 SER HA 1 19 VAL MG2 . . 3.560 2.810 2.654 2.875 . 0 0 "[ . 1]" 1
92 1 16 SER HB3 1 17 ALA H . . 4.440 3.015 2.697 4.181 . 0 0 "[ . 1]" 1
93 1 17 ALA H 1 17 ALA MB . . 2.420 2.120 2.077 2.194 . 0 0 "[ . 1]" 1
94 1 17 ALA H 1 18 VAL H . . 3.250 2.857 2.838 2.883 . 0 0 "[ . 1]" 1
95 1 17 ALA HA 1 17 ALA MB . . 2.400 2.104 2.095 2.119 . 0 0 "[ . 1]" 1
96 1 17 ALA HA 1 18 VAL H . . 3.820 3.572 3.571 3.573 . 0 0 "[ . 1]" 1
97 1 17 ALA HA 1 20 GLY H . . 3.880 3.919 3.893 3.988 0.108 10 0 "[ . 1]" 1
98 1 17 ALA HA 1 21 ILE H . . 4.340 4.214 4.159 4.237 . 0 0 "[ . 1]" 1
99 1 17 ALA MB 1 18 VAL H . . 2.760 2.301 2.152 2.406 . 0 0 "[ . 1]" 1
100 1 17 ALA MB 1 18 VAL HA . . 3.580 3.670 3.629 3.700 0.120 7 0 "[ . 1]" 1
101 1 17 ALA MB 1 18 VAL MG2 . . 3.000 2.937 2.816 3.018 0.018 8 0 "[ . 1]" 1
102 1 17 ALA MB 1 21 ILE H . . 4.520 4.695 4.682 4.717 0.197 3 0 "[ . 1]" 1
103 1 17 ALA MB 1 21 ILE MD . . 3.080 2.870 2.720 3.048 . 0 0 "[ . 1]" 1
104 1 18 VAL H 1 18 VAL HB . . 2.960 2.786 2.767 2.807 . 0 0 "[ . 1]" 1
105 1 18 VAL H 1 18 VAL MG2 . . 2.530 1.972 1.962 1.977 . 0 0 "[ . 1]" 1
106 1 18 VAL H 1 19 VAL H . . 3.210 2.905 2.884 2.917 . 0 0 "[ . 1]" 1
107 1 18 VAL HA 1 18 VAL MG1 . . 2.760 2.321 2.251 2.349 . 0 0 "[ . 1]" 1
108 1 18 VAL HA 1 18 VAL MG2 . . 2.560 2.448 2.440 2.457 . 0 0 "[ . 1]" 1
109 1 18 VAL HA 1 21 ILE H . . 3.670 3.800 3.773 3.868 0.198 10 0 "[ . 1]" 1
110 1 18 VAL HA 1 21 ILE MD . . 3.380 3.018 2.804 3.161 . 0 0 "[ . 1]" 1
111 1 18 VAL HB 1 18 VAL MG1 . . 2.550 2.124 2.119 2.127 . 0 0 "[ . 1]" 1
112 1 18 VAL HB 1 18 VAL MG2 . . 2.480 2.091 2.087 2.097 . 0 0 "[ . 1]" 1
113 1 18 VAL HB 1 22 LEU QD . . 4.000 4.244 4.212 4.298 0.298 9 0 "[ . 1]" 1
114 1 18 VAL HB 2 22 LEU QD . . 3.500 4.032 3.911 4.385 0.885 9 2 "[ . +-]" 1
115 1 18 VAL MG1 1 19 VAL H . . 3.480 3.534 3.510 3.584 0.104 10 0 "[ . 1]" 1
116 1 18 VAL MG1 1 22 LEU HG . . 3.210 3.176 2.901 3.266 0.056 6 0 "[ . 1]" 1
117 1 19 VAL H 1 19 VAL HB . . 3.220 2.602 2.593 2.612 . 0 0 "[ . 1]" 1
118 1 19 VAL H 1 19 VAL MG2 . . 2.830 1.966 1.937 2.025 . 0 0 "[ . 1]" 1
119 1 19 VAL HA 1 19 VAL MG1 . . 2.810 2.322 2.306 2.333 . 0 0 "[ . 1]" 1
120 1 19 VAL HA 1 19 VAL MG2 . . 2.700 2.420 2.401 2.429 . 0 0 "[ . 1]" 1
121 1 19 VAL HA 1 22 LEU H . . 3.730 3.849 3.668 3.904 0.174 6 0 "[ . 1]" 1
122 1 19 VAL HA 1 22 LEU QD . . 3.510 3.395 3.112 3.475 . 0 0 "[ . 1]" 1
123 1 19 VAL HA 1 23 LEU H . . 4.150 3.787 3.678 4.217 0.067 10 0 "[ . 1]" 1
124 1 19 VAL HA 2 22 LEU QD . . 3.500 1.867 1.849 1.880 . 0 0 "[ . 1]" 1
125 1 19 VAL HB 1 20 GLY H . . 3.560 2.192 2.119 2.224 . 0 0 "[ . 1]" 1
126 1 19 VAL MG1 1 20 GLY H . . 3.000 3.029 2.984 3.042 0.042 3 0 "[ . 1]" 1
127 1 19 VAL MG1 1 20 GLY HA2 . . 3.340 3.297 3.276 3.341 0.001 10 0 "[ . 1]" 1
128 1 19 VAL MG1 1 23 LEU HG . . 3.240 2.660 2.528 3.144 . 0 0 "[ . 1]" 1
129 1 20 GLY HA2 1 23 LEU H . . 4.160 4.012 3.682 4.100 . 0 0 "[ . 1]" 1
130 1 20 GLY HA2 1 23 LEU QD . . 3.690 2.145 2.030 2.504 . 0 0 "[ . 1]" 1
131 1 21 ILE H 1 21 ILE HA . . 3.080 2.789 2.778 2.792 . 0 0 "[ . 1]" 1
132 1 21 ILE H 1 21 ILE HB . . 2.980 2.493 2.420 2.513 . 0 0 "[ . 1]" 1
133 1 21 ILE H 1 21 ILE HG13 . . 3.180 2.186 2.124 2.384 . 0 0 "[ . 1]" 1
134 1 21 ILE HA 1 21 ILE MG . . 2.840 2.373 2.352 2.453 . 0 0 "[ . 1]" 1
135 1 21 ILE HA 1 22 LEU H . . 4.040 3.561 3.536 3.568 . 0 0 "[ . 1]" 1
136 1 21 ILE HA 1 24 VAL H . . 3.910 3.788 3.624 3.831 . 0 0 "[ . 1]" 1
137 1 21 ILE HA 1 24 VAL MG2 . . 3.190 2.964 2.858 3.098 . 0 0 "[ . 1]" 1
138 1 21 ILE HA 1 25 VAL H . . 4.150 4.191 4.121 4.219 0.069 5 0 "[ . 1]" 1
139 1 21 ILE HB 1 21 ILE MD . . 3.120 2.308 2.197 2.423 . 0 0 "[ . 1]" 1
140 1 21 ILE HB 1 21 ILE MG . . 2.600 2.095 2.091 2.111 . 0 0 "[ . 1]" 1
141 1 21 ILE HB 1 22 LEU H . . 3.320 2.395 2.321 2.686 . 0 0 "[ . 1]" 1
142 1 21 ILE MD 1 21 ILE HG12 . . 2.400 2.085 2.073 2.104 . 0 0 "[ . 1]" 1
143 1 21 ILE MD 1 21 ILE HG13 . . 2.600 2.088 2.075 2.107 . 0 0 "[ . 1]" 1
144 1 21 ILE HG12 1 21 ILE MG . . 2.460 2.262 2.182 2.350 . 0 0 "[ . 1]" 1
145 1 21 ILE MG 1 22 LEU H . . 3.030 3.146 3.126 3.225 0.195 9 0 "[ . 1]" 1
146 1 21 ILE MG 1 22 LEU HA . . 3.330 3.327 3.236 3.352 0.022 3 0 "[ . 1]" 1
147 1 21 ILE MG 1 24 VAL HB . . 3.510 3.733 3.665 3.756 0.246 5 0 "[ . 1]" 1
148 1 22 LEU H 1 22 LEU HB2 . . 3.020 2.048 2.040 2.052 . 0 0 "[ . 1]" 1
149 1 22 LEU H 1 22 LEU HB3 . . 3.480 3.216 3.194 3.256 . 0 0 "[ . 1]" 1
150 1 22 LEU H 1 23 LEU H . . 3.180 2.987 2.814 3.035 . 0 0 "[ . 1]" 1
151 1 22 LEU HA 1 22 LEU QD . . 3.010 2.091 2.053 2.299 . 0 0 "[ . 1]" 1
152 1 22 LEU HA 1 25 VAL H . . 3.580 3.598 3.594 3.608 0.028 10 0 "[ . 1]" 1
153 1 22 LEU HA 1 25 VAL MG2 . . 3.000 3.143 3.098 3.162 0.162 5 0 "[ . 1]" 1
154 1 22 LEU HA 2 22 LEU QD . . 3.500 4.345 4.317 4.373 0.873 9 10 [*****-**+*] 1
155 1 22 LEU HA 2 23 LEU QD . . 3.500 4.287 4.015 4.369 0.869 5 10 [****+****-] 1
156 1 22 LEU QD 1 25 VAL HB . . 3.860 3.087 3.032 3.278 . 0 0 "[ . 1]" 1
157 1 22 LEU QD 2 18 VAL HB . . 3.500 4.036 3.934 4.391 0.891 9 2 "[ . +-]" 1
158 1 22 LEU QD 2 19 VAL HA . . 3.500 1.866 1.845 1.883 . 0 0 "[ . 1]" 1
159 1 22 LEU QD 2 22 LEU HA . . 3.500 4.345 4.312 4.369 0.869 10 10 [*****-***+] 1
160 1 23 LEU H 1 23 LEU QB . . 2.950 2.602 2.551 2.784 . 0 0 "[ . 1]" 1
161 1 23 LEU H 1 23 LEU HG . . 3.520 2.040 1.922 2.088 . 0 0 "[ . 1]" 1
162 1 23 LEU H 1 24 VAL H . . 3.380 3.017 2.863 3.056 . 0 0 "[ . 1]" 1
163 1 23 LEU HA 1 23 LEU QD . . 3.300 2.385 2.061 2.474 . 0 0 "[ . 1]" 1
164 1 23 LEU HA 1 24 VAL H . . 4.250 3.567 3.563 3.568 . 0 0 "[ . 1]" 1
165 1 23 LEU HA 1 26 VAL QG . . 3.110 2.045 1.942 2.447 . 0 0 "[ . 1]" 1
166 1 23 LEU HA 2 26 VAL QG . . 3.500 1.738 1.712 1.783 . 0 0 "[ . 1]" 1
167 1 23 LEU QB 1 24 VAL H . . 3.760 2.252 2.230 2.328 . 0 0 "[ . 1]" 1
168 1 23 LEU QB 1 26 VAL QG . . 3.600 3.811 3.761 3.995 0.395 10 0 "[ . 1]" 1
169 1 23 LEU QD 1 26 VAL HB . . 4.110 4.204 4.179 4.252 0.142 10 0 "[ . 1]" 1
170 1 23 LEU QD 2 22 LEU HA . . 3.500 4.289 4.020 4.369 0.869 6 10 [*****+***-] 1
171 1 23 LEU HG 2 26 VAL QG . . 3.000 2.986 2.820 3.561 0.561 10 2 "[ . -+]" 1
172 1 24 VAL H 1 24 VAL HB . . 3.120 2.582 2.572 2.587 . 0 0 "[ . 1]" 1
173 1 24 VAL H 1 24 VAL MG2 . . 2.850 2.094 1.962 2.237 . 0 0 "[ . 1]" 1
174 1 24 VAL H 1 25 VAL H . . 3.210 2.883 2.807 2.905 . 0 0 "[ . 1]" 1
175 1 24 VAL HA 1 24 VAL MG1 . . 2.700 2.348 2.315 2.382 . 0 0 "[ . 1]" 1
176 1 24 VAL HA 1 27 LEU MD1 . . 3.180 3.498 3.390 3.530 0.350 7 0 "[ . 1]" 1
177 1 24 VAL HB 1 24 VAL MG1 . . 2.610 2.118 2.103 2.128 . 0 0 "[ . 1]" 1
178 1 24 VAL MG1 1 25 VAL H . . 3.370 3.251 3.208 3.346 . 0 0 "[ . 1]" 1
179 1 24 VAL MG1 1 28 GLY H . . 4.330 3.932 3.870 3.973 . 0 0 "[ . 1]" 1
180 1 25 VAL H 1 25 VAL HB . . 2.890 2.482 2.464 2.488 . 0 0 "[ . 1]" 1
181 1 25 VAL H 1 25 VAL MG2 . . 2.560 2.378 2.367 2.407 . 0 0 "[ . 1]" 1
182 1 25 VAL H 1 26 VAL H . . 3.140 2.687 2.666 2.698 . 0 0 "[ . 1]" 1
183 1 25 VAL HA 1 25 VAL MG1 . . 2.730 2.428 2.426 2.432 . 0 0 "[ . 1]" 1
184 1 25 VAL HA 1 25 VAL MG2 . . 2.520 2.259 2.252 2.261 . 0 0 "[ . 1]" 1
185 1 25 VAL HA 1 28 GLY H . . 3.930 3.598 3.539 3.630 . 0 0 "[ . 1]" 1
186 1 25 VAL HA 1 29 VAL H . . 4.340 3.511 3.483 3.564 . 0 0 "[ . 1]" 1
187 1 25 VAL HB 1 25 VAL MG1 . . 2.550 2.128 2.128 2.129 . 0 0 "[ . 1]" 1
188 1 25 VAL HB 1 25 VAL MG2 . . 2.550 2.086 2.085 2.086 . 0 0 "[ . 1]" 1
189 1 25 VAL HB 1 26 VAL H . . 3.330 2.641 2.583 2.665 . 0 0 "[ . 1]" 1
190 1 25 VAL MG1 1 26 VAL H . . 3.100 3.349 3.278 3.379 0.279 5 0 "[ . 1]" 1
191 1 25 VAL MG1 1 29 VAL H . . 4.210 3.576 3.557 3.621 . 0 0 "[ . 1]" 1
192 1 26 VAL H 1 26 VAL HB . . 3.220 2.645 2.543 2.677 . 0 0 "[ . 1]" 1
193 1 26 VAL H 1 26 VAL QG . . 2.540 2.107 2.091 2.146 . 0 0 "[ . 1]" 1
194 1 26 VAL HA 1 26 VAL QG . . 2.580 2.077 2.066 2.120 . 0 0 "[ . 1]" 1
195 1 26 VAL HA 1 29 VAL H . . 3.980 4.076 4.056 4.091 0.111 7 0 "[ . 1]" 1
196 1 26 VAL QG 1 27 LEU H . . 3.070 2.976 2.947 2.992 . 0 0 "[ . 1]" 1
197 1 26 VAL QG 1 27 LEU HA . . 3.320 3.347 3.203 3.394 0.074 7 0 "[ . 1]" 1
198 1 26 VAL QG 2 23 LEU HA . . 3.500 1.738 1.718 1.780 . 0 0 "[ . 1]" 1
199 1 26 VAL QG 2 23 LEU HG . . 3.000 2.988 2.831 3.562 0.562 9 2 "[ . +-]" 1
200 1 27 LEU H 1 27 LEU HA . . 3.110 2.835 2.828 2.849 . 0 0 "[ . 1]" 1
201 1 27 LEU H 1 27 LEU HB2 . . 3.140 2.522 2.510 2.533 . 0 0 "[ . 1]" 1
202 1 27 LEU H 1 27 LEU HB3 . . 3.660 3.591 3.588 3.596 . 0 0 "[ . 1]" 1
203 1 27 LEU H 1 27 LEU MD2 . . 3.410 3.402 3.393 3.417 0.007 10 0 "[ . 1]" 1
204 1 27 LEU H 1 27 LEU HG . . 3.210 2.189 2.169 2.220 . 0 0 "[ . 1]" 1
205 1 27 LEU H 1 28 GLY H . . 3.170 2.650 2.596 2.686 . 0 0 "[ . 1]" 1
206 1 27 LEU HA 1 27 LEU MD2 . . 2.730 2.021 2.007 2.034 . 0 0 "[ . 1]" 1
207 1 27 LEU HA 1 28 GLY H . . 4.220 3.556 3.554 3.559 . 0 0 "[ . 1]" 1
208 1 27 LEU HA 1 29 VAL H . . 4.770 4.484 4.447 4.505 . 0 0 "[ . 1]" 1
209 1 27 LEU HA 1 30 VAL H . . 4.040 3.732 3.716 3.747 . 0 0 "[ . 1]" 1
210 1 27 LEU HA 1 30 VAL MG1 . . 3.450 3.553 3.541 3.577 0.127 10 0 "[ . 1]" 1
211 1 27 LEU HA 1 30 VAL MG2 . . 3.520 3.579 3.567 3.592 0.072 10 0 "[ . 1]" 1
212 1 27 LEU HA 1 31 PHE H . . 4.190 3.403 3.378 3.417 . 0 0 "[ . 1]" 1
213 1 27 LEU HB2 1 28 GLY H . . 3.810 2.454 2.431 2.475 . 0 0 "[ . 1]" 1
214 1 27 LEU HB3 1 27 LEU MD1 . . 2.720 2.452 2.445 2.466 . 0 0 "[ . 1]" 1
215 1 27 LEU HB3 1 27 LEU MD2 . . 2.930 2.357 2.351 2.363 . 0 0 "[ . 1]" 1
216 1 27 LEU MD1 1 27 LEU HG . . 2.600 2.126 2.124 2.126 . 0 0 "[ . 1]" 1
217 1 27 LEU MD1 1 31 PHE QE . . 4.060 4.137 4.132 4.141 0.081 3 0 "[ . 1]" 1
218 1 27 LEU MD1 2 31 PHE QE . . 4.000 4.343 4.305 4.361 0.361 2 0 "[ . 1]" 1
219 1 27 LEU MD2 1 30 VAL HB . . 3.550 3.647 3.640 3.654 0.104 9 0 "[ . 1]" 1
220 1 27 LEU MD2 1 31 PHE QE . . 3.660 1.930 1.924 1.936 . 0 0 "[ . 1]" 1
221 1 27 LEU MD2 2 31 PHE HZ . . 4.000 3.834 3.807 3.874 . 0 0 "[ . 1]" 1
222 1 28 GLY H 1 29 VAL H . . 3.490 2.903 2.883 2.911 . 0 0 "[ . 1]" 1
223 1 28 GLY H 1 31 PHE HB2 . . 4.810 4.904 4.898 4.907 0.097 10 0 "[ . 1]" 1
224 1 28 GLY HA2 1 31 PHE H . . 4.150 4.151 4.150 4.152 0.002 6 0 "[ . 1]" 1
225 1 29 VAL H 1 29 VAL HB . . 3.100 2.408 2.405 2.411 . 0 0 "[ . 1]" 1
226 1 29 VAL H 1 29 VAL MG1 . . 3.950 3.743 3.741 3.744 . 0 0 "[ . 1]" 1
227 1 29 VAL H 1 29 VAL MG2 . . 2.510 2.366 2.358 2.378 . 0 0 "[ . 1]" 1
228 1 29 VAL HA 1 29 VAL MG1 . . 2.780 2.445 2.439 2.448 . 0 0 "[ . 1]" 1
229 1 29 VAL HA 1 29 VAL MG2 . . 2.540 2.347 2.310 2.368 . 0 0 "[ . 1]" 1
230 1 29 VAL HA 1 30 VAL H . . 4.350 3.567 3.567 3.568 . 0 0 "[ . 1]" 1
231 1 29 VAL HB 1 29 VAL MG1 . . 2.610 2.127 2.126 2.128 . 0 0 "[ . 1]" 1
232 1 29 VAL HB 1 29 VAL MG2 . . 2.540 2.127 2.123 2.130 . 0 0 "[ . 1]" 1
233 1 29 VAL HB 1 30 VAL H . . 3.520 2.361 2.353 2.367 . 0 0 "[ . 1]" 1
234 1 29 VAL MG1 1 30 VAL H . . 2.920 2.986 2.982 2.991 0.071 8 0 "[ . 1]" 1
235 1 29 VAL MG1 1 30 VAL HA . . 3.400 3.099 3.094 3.106 . 0 0 "[ . 1]" 1
236 1 29 VAL MG1 1 33 ILE HG13 . . 3.270 3.084 2.876 3.279 0.009 3 0 "[ . 1]" 1
237 1 30 VAL H 1 30 VAL HB . . 3.200 2.414 2.406 2.417 . 0 0 "[ . 1]" 1
238 1 30 VAL H 1 30 VAL MG1 . . 3.850 3.742 3.739 3.743 . 0 0 "[ . 1]" 1
239 1 30 VAL H 1 30 VAL MG2 . . 2.460 2.463 2.452 2.472 0.012 9 0 "[ . 1]" 1
240 1 30 VAL H 1 31 PHE H . . 3.430 2.857 2.852 2.864 . 0 0 "[ . 1]" 1
241 1 30 VAL HA 1 30 VAL MG2 . . 2.400 2.188 2.185 2.196 . 0 0 "[ . 1]" 1
242 1 30 VAL HA 1 31 PHE H . . 4.190 3.542 3.540 3.547 . 0 0 "[ . 1]" 1
243 1 30 VAL HA 1 33 ILE H . . 4.050 4.076 4.033 4.104 0.054 9 0 "[ . 1]" 1
244 1 30 VAL HA 1 33 ILE MD . . 3.420 3.394 3.346 3.432 0.012 3 0 "[ . 1]" 1
245 1 30 VAL HA 1 34 LEU H . . 4.360 4.007 3.965 4.069 . 0 0 "[ . 1]" 1
246 1 30 VAL HB 1 31 PHE H . . 3.350 2.666 2.632 2.683 . 0 0 "[ . 1]" 1
247 1 30 VAL MG1 1 31 PHE H . . 3.400 3.149 3.108 3.167 . 0 0 "[ . 1]" 1
248 1 30 VAL MG1 1 31 PHE HA . . 4.010 3.268 3.252 3.276 . 0 0 "[ . 1]" 1
249 1 30 VAL MG1 1 31 PHE QB . . 4.130 4.207 4.179 4.224 0.094 5 0 "[ . 1]" 1
250 1 30 VAL MG1 1 31 PHE QD . . 4.140 2.362 2.343 2.421 . 0 0 "[ . 1]" 1
251 1 30 VAL MG1 1 34 LEU HG . . 3.180 2.726 2.707 2.760 . 0 0 "[ . 1]" 1
252 1 30 VAL MG2 1 31 PHE H . . 4.230 4.006 3.994 4.013 . 0 0 "[ . 1]" 1
253 1 31 PHE H 1 31 PHE HB2 . . 3.130 2.310 2.294 2.319 . 0 0 "[ . 1]" 1
254 1 31 PHE H 1 31 PHE HB3 . . 3.540 3.567 3.560 3.570 0.030 10 0 "[ . 1]" 1
255 1 31 PHE H 1 31 PHE QD . . 4.690 2.037 1.998 2.085 . 0 0 "[ . 1]" 1
256 1 31 PHE H 1 32 GLY H . . 3.440 2.476 2.430 2.514 . 0 0 "[ . 1]" 1
257 1 31 PHE HA 1 32 GLY H . . 4.430 3.533 3.508 3.550 . 0 0 "[ . 1]" 1
258 1 31 PHE HA 1 33 ILE H . . 5.310 4.489 4.446 4.525 . 0 0 "[ . 1]" 1
259 1 31 PHE HA 1 34 LEU H . . 4.010 3.627 3.534 3.668 . 0 0 "[ . 1]" 1
260 1 31 PHE HA 1 34 LEU MD1 . . 3.530 3.024 2.956 3.092 . 0 0 "[ . 1]" 1
261 1 31 PHE HA 1 35 ILE H . . 4.440 3.213 3.153 3.293 . 0 0 "[ . 1]" 1
262 1 31 PHE HA 1 35 ILE MD . . 4.480 3.091 2.960 3.302 . 0 0 "[ . 1]" 1
263 1 31 PHE HB2 1 32 GLY H . . 4.020 2.719 2.615 2.850 . 0 0 "[ . 1]" 1
264 1 31 PHE HB3 1 32 GLY H . . 3.940 3.520 3.422 3.635 . 0 0 "[ . 1]" 1
265 1 31 PHE HB3 1 35 ILE MD . . 3.680 1.902 1.891 1.923 . 0 0 "[ . 1]" 1
266 1 31 PHE QE 1 35 ILE MD . . 4.030 4.118 4.054 4.203 0.173 3 0 "[ . 1]" 1
267 1 31 PHE QE 2 27 LEU MD1 . . 4.000 4.349 4.332 4.378 0.378 4 0 "[ . 1]" 1
268 1 31 PHE HZ 2 27 LEU MD2 . . 4.000 3.840 3.802 3.921 . 0 0 "[ . 1]" 1
269 1 32 GLY H 1 33 ILE H . . 3.520 2.877 2.827 2.906 . 0 0 "[ . 1]" 1
270 1 32 GLY H 1 33 ILE HG13 . . 4.730 4.697 4.648 4.729 . 0 0 "[ . 1]" 1
271 1 33 ILE H 1 33 ILE HB . . 3.160 2.504 2.496 2.515 . 0 0 "[ . 1]" 1
272 1 33 ILE H 1 33 ILE HG12 . . 3.830 3.723 3.637 3.783 . 0 0 "[ . 1]" 1
273 1 33 ILE H 1 33 ILE HG13 . . 3.270 2.266 2.196 2.319 . 0 0 "[ . 1]" 1
274 1 33 ILE H 1 34 LEU H . . 3.140 2.592 2.495 2.648 . 0 0 "[ . 1]" 1
275 1 33 ILE HA 1 33 ILE MG . . 2.760 2.327 2.300 2.375 . 0 0 "[ . 1]" 1
276 1 33 ILE HA 1 34 LEU H . . 3.960 3.561 3.550 3.565 . 0 0 "[ . 1]" 1
277 1 33 ILE HA 1 37 ARG H . . 4.190 4.028 3.780 4.211 0.021 2 0 "[ . 1]" 1
278 1 33 ILE HB 1 33 ILE MD . . 3.010 2.242 2.215 2.286 . 0 0 "[ . 1]" 1
279 1 33 ILE HB 1 33 ILE MG . . 2.550 2.099 2.084 2.126 . 0 0 "[ . 1]" 1
280 1 33 ILE HB 1 34 LEU H . . 3.420 2.404 2.346 2.510 . 0 0 "[ . 1]" 1
281 1 33 ILE MD 1 33 ILE HG12 . . 2.560 2.116 2.114 2.118 . 0 0 "[ . 1]" 1
282 1 33 ILE MG 1 34 LEU H . . 3.470 3.296 3.215 3.428 . 0 0 "[ . 1]" 1
283 1 33 ILE MG 1 34 LEU HA . . 3.750 3.449 3.302 3.567 . 0 0 "[ . 1]" 1
284 1 33 ILE MG 1 37 ARG HD3 . . 3.130 2.516 2.175 3.100 . 0 0 "[ . 1]" 1
285 1 34 LEU H 1 34 LEU HB2 . . 3.220 2.318 2.306 2.324 . 0 0 "[ . 1]" 1
286 1 34 LEU H 1 34 LEU HB3 . . 3.630 3.556 3.550 3.557 . 0 0 "[ . 1]" 1
287 1 34 LEU H 1 34 LEU MD2 . . 3.490 3.521 3.508 3.531 0.041 6 0 "[ . 1]" 1
288 1 34 LEU H 1 34 LEU HG . . 3.200 2.577 2.557 2.592 . 0 0 "[ . 1]" 1
289 1 34 LEU H 1 35 ILE H . . 3.330 2.944 2.759 3.022 . 0 0 "[ . 1]" 1
290 1 34 LEU HA 1 34 LEU MD2 . . 2.760 1.956 1.951 1.963 . 0 0 "[ . 1]" 1
291 1 34 LEU HA 1 35 ILE H . . 4.190 3.566 3.543 3.570 . 0 0 "[ . 1]" 1
292 1 34 LEU HA 1 37 ARG H . . 3.970 3.768 3.606 3.924 . 0 0 "[ . 1]" 1
293 1 34 LEU HA 1 38 ARG H . . 4.490 4.481 4.382 4.538 0.048 2 0 "[ . 1]" 1
294 1 34 LEU HB3 1 34 LEU MD1 . . 3.050 2.384 2.358 2.421 . 0 0 "[ . 1]" 1
295 1 34 LEU HB3 1 34 LEU MD2 . . 3.010 2.356 2.352 2.363 . 0 0 "[ . 1]" 1
296 1 34 LEU MD1 1 34 LEU HG . . 2.550 2.122 2.106 2.126 . 0 0 "[ . 1]" 1
297 1 34 LEU MD2 1 34 LEU HG . . 2.570 2.126 2.125 2.126 . 0 0 "[ . 1]" 1
298 1 34 LEU MD2 1 37 ARG HD3 . . 3.220 3.127 2.880 3.222 0.002 3 0 "[ . 1]" 1
299 1 35 ILE H 1 35 ILE HB . . 3.040 2.458 2.416 2.482 . 0 0 "[ . 1]" 1
300 1 35 ILE H 1 35 ILE HG12 . . 3.760 3.756 3.634 3.788 0.028 10 0 "[ . 1]" 1
301 1 35 ILE H 1 35 ILE HG13 . . 3.270 2.312 2.236 2.392 . 0 0 "[ . 1]" 1
302 1 35 ILE H 1 36 LYS H . . 3.400 2.768 2.717 2.837 . 0 0 "[ . 1]" 1
303 1 35 ILE HA 1 35 ILE MG . . 2.850 2.400 2.388 2.411 . 0 0 "[ . 1]" 1
304 1 35 ILE HA 1 36 LYS H . . 3.660 3.557 3.545 3.570 . 0 0 "[ . 1]" 1
305 1 35 ILE HA 1 38 ARG H . . 3.790 3.300 3.146 3.538 . 0 0 "[ . 1]" 1
306 1 35 ILE HA 1 39 GLN H . . 4.600 4.072 3.594 4.608 0.008 3 0 "[ . 1]" 1
307 1 35 ILE HB 1 35 ILE MD . . 2.990 2.199 2.138 2.288 . 0 0 "[ . 1]" 1
308 1 35 ILE HB 1 35 ILE MG . . 2.500 2.090 2.086 2.114 . 0 0 "[ . 1]" 1
309 1 35 ILE MD 1 35 ILE HG12 . . 2.400 2.111 2.104 2.115 . 0 0 "[ . 1]" 1
310 1 35 ILE MD 1 35 ILE HG13 . . 2.400 2.111 2.104 2.116 . 0 0 "[ . 1]" 1
311 1 35 ILE MD 1 35 ILE MG . . 2.480 2.348 2.132 2.479 . 0 0 "[ . 1]" 1
312 1 35 ILE HG12 1 35 ILE MG . . 2.870 2.145 2.078 2.238 . 0 0 "[ . 1]" 1
313 1 35 ILE HG13 1 35 ILE MG . . 2.910 3.141 3.117 3.175 0.265 1 0 "[ . 1]" 1
314 1 35 ILE MG 1 36 LYS H . . 3.200 3.190 2.953 3.229 0.029 10 0 "[ . 1]" 1
315 1 35 ILE MG 1 36 LYS HA . . 3.500 3.350 3.242 3.397 . 0 0 "[ . 1]" 1
316 1 35 ILE MG 1 38 ARG HD3 . . 4.250 4.026 3.599 4.254 0.004 4 0 "[ . 1]" 1
317 1 35 ILE MG 1 39 GLN HG2 . . 3.860 3.364 2.344 3.901 0.041 1 0 "[ . 1]" 1
318 1 36 LYS H 1 37 ARG H . . 3.200 2.777 2.626 2.938 . 0 0 "[ . 1]" 1
319 1 36 LYS HA 1 37 ARG H . . 3.940 3.498 3.403 3.565 . 0 0 "[ . 1]" 1
320 1 36 LYS HA 1 38 ARG H . . 4.390 4.385 4.275 4.423 0.033 2 0 "[ . 1]" 1
321 1 36 LYS HA 1 39 GLN H . . 3.820 3.678 3.475 3.842 0.022 1 0 "[ . 1]" 1
322 1 37 ARG H 1 38 ARG H . . 3.090 2.516 2.369 2.829 . 0 0 "[ . 1]" 1
323 1 38 ARG H 1 38 ARG HA . . 2.950 2.839 2.808 2.895 . 0 0 "[ . 1]" 1
324 1 38 ARG H 1 39 GLN H . . 2.950 2.604 2.454 2.741 . 0 0 "[ . 1]" 1
325 1 39 GLN H 1 39 GLN HA . . 2.770 2.701 2.281 2.866 0.096 6 0 "[ . 1]" 1
326 1 39 GLN HA 1 40 GLN H . . 2.800 2.469 2.143 2.779 . 0 0 "[ . 1]" 1
327 1 40 GLN HA 1 41 LYS H . . 2.760 2.423 2.139 2.696 . 0 0 "[ . 1]" 1
328 1 41 LYS HA 1 42 ILE H . . 2.920 2.459 2.185 2.904 . 0 0 "[ . 1]" 1
329 1 42 ILE HA 1 43 ARG H . . 2.850 2.316 2.142 2.589 . 0 0 "[ . 1]" 1
330 1 43 ARG HA 1 44 LYS H . . 2.940 2.410 2.144 2.567 . 0 0 "[ . 1]" 1
331 2 1 GLY QA 2 2 CYS H . . 3.750 2.361 2.136 2.833 . 0 0 "[ . 1]" 1
332 2 3 PRO HA 2 4 ALA H . . 3.250 2.530 2.275 3.380 0.130 10 0 "[ . 1]" 1
333 2 4 ALA HA 2 5 GLU H . . 3.110 2.553 2.210 3.534 0.424 6 0 "[ . 1]" 1
334 2 5 GLU H 2 5 GLU HB2 . . 3.830 2.575 2.074 3.597 . 0 0 "[ . 1]" 1
335 2 5 GLU H 2 5 GLU HB3 . . 3.410 2.997 2.527 3.379 . 0 0 "[ . 1]" 1
336 2 5 GLU H 2 5 GLU QG . . 4.120 3.359 1.945 4.129 0.009 9 0 "[ . 1]" 1
337 2 5 GLU HA 2 6 GLN H . . 3.190 2.319 2.140 2.909 . 0 0 "[ . 1]" 1
338 2 6 GLN H 2 6 GLN HB2 . . 3.470 2.525 2.168 3.385 . 0 0 "[ . 1]" 1
339 2 6 GLN H 2 6 GLN HB3 . . 3.880 3.206 2.729 3.775 . 0 0 "[ . 1]" 1
340 2 6 GLN H 2 6 GLN QG . . 4.130 3.496 2.474 4.123 . 0 0 "[ . 1]" 1
341 2 6 GLN HA 2 7 ARG H . . 2.780 2.445 2.167 3.517 0.737 8 1 "[ . + 1]" 1
342 2 7 ARG H 2 7 ARG HB2 . . 3.790 2.816 2.119 3.641 . 0 0 "[ . 1]" 1
343 2 7 ARG H 2 7 ARG HB3 . . 3.280 2.825 2.314 3.301 0.021 9 0 "[ . 1]" 1
344 2 7 ARG H 2 7 ARG QG . . 3.650 3.357 1.952 3.975 0.325 8 0 "[ . 1]" 1
345 2 8 ALA HA 2 9 SER H . . 2.760 2.460 2.349 2.592 . 0 0 "[ . 1]" 1
346 2 8 ALA MB 2 12 THR HA . . 4.310 4.480 4.378 4.762 0.452 6 0 "[ . 1]" 1
347 2 9 SER H 2 9 SER HB2 . . 3.310 2.085 2.079 2.091 . 0 0 "[ . 1]" 1
348 2 9 SER H 2 9 SER HB3 . . 3.220 3.345 3.327 3.361 0.141 6 0 "[ . 1]" 1
349 2 9 SER HB2 2 11 LEU H . . 4.300 3.776 3.742 3.841 . 0 0 "[ . 1]" 1
350 2 9 SER HB3 2 11 LEU H . . 3.560 2.123 2.107 2.154 . 0 0 "[ . 1]" 1
351 2 9 SER HB3 2 12 THR H . . 4.510 3.082 2.692 3.403 . 0 0 "[ . 1]" 1
352 2 10 PRO HA 2 11 LEU H . . 3.500 3.421 3.411 3.448 . 0 0 "[ . 1]" 1
353 2 10 PRO HA 2 12 THR H . . 4.660 4.268 3.726 4.773 0.113 6 0 "[ . 1]" 1
354 2 10 PRO HA 2 13 SER H . . 4.360 3.950 3.802 4.148 . 0 0 "[ . 1]" 1
355 2 10 PRO HB2 2 11 LEU H . . 3.620 3.711 3.634 3.739 0.119 2 0 "[ . 1]" 1
356 2 10 PRO HB3 2 11 LEU H . . 4.450 4.360 4.315 4.376 . 0 0 "[ . 1]" 1
357 2 11 LEU H 2 12 THR H . . 3.170 2.387 2.317 2.473 . 0 0 "[ . 1]" 1
358 2 11 LEU HA 2 11 LEU MD1 . . 3.320 3.325 3.302 3.353 0.033 10 0 "[ . 1]" 1
359 2 11 LEU HA 2 11 LEU MD2 . . 2.980 1.957 1.915 2.021 . 0 0 "[ . 1]" 1
360 2 11 LEU HA 2 12 THR H . . 3.460 3.500 3.413 3.547 0.087 6 0 "[ . 1]" 1
361 2 11 LEU HA 2 13 SER H . . 4.250 3.909 3.784 4.255 0.005 6 0 "[ . 1]" 1
362 2 11 LEU HA 2 14 ILE MD . . 3.680 2.643 1.903 3.361 . 0 0 "[ . 1]" 1
363 2 11 LEU HA 2 15 ILE H . . 4.830 4.462 4.202 4.671 . 0 0 "[ . 1]" 1
364 2 11 LEU HB2 2 12 THR H . . 3.910 3.939 3.819 4.067 0.157 5 0 "[ . 1]" 1
365 2 11 LEU HB3 2 12 THR H . . 3.600 2.761 2.490 3.123 . 0 0 "[ . 1]" 1
366 2 11 LEU MD1 2 12 THR H . . 4.290 3.312 3.041 3.762 . 0 0 "[ . 1]" 1
367 2 11 LEU MD2 2 11 LEU HG . . 2.400 2.121 2.104 2.128 . 0 0 "[ . 1]" 1
368 2 11 LEU MD2 2 12 THR H . . 4.070 4.239 4.134 4.326 0.256 5 0 "[ . 1]" 1
369 2 11 LEU MD2 2 14 ILE HB . . 3.590 2.153 1.914 3.393 . 0 0 "[ . 1]" 1
370 2 12 THR H 2 12 THR HB . . 3.180 2.548 2.345 3.603 0.423 9 0 "[ . 1]" 1
371 2 12 THR H 2 12 THR HG1 . . 4.530 4.336 3.721 4.521 . 0 0 "[ . 1]" 1
372 2 12 THR H 2 12 THR MG . . 3.010 2.343 1.879 2.523 . 0 0 "[ . 1]" 1
373 2 12 THR HA 2 12 THR MG . . 3.240 3.112 2.377 3.202 . 0 0 "[ . 1]" 1
374 2 12 THR HA 2 15 ILE H . . 4.390 3.528 3.376 3.664 . 0 0 "[ . 1]" 1
375 2 12 THR HA 2 15 ILE MD . . 4.240 2.773 2.129 4.259 0.019 4 0 "[ . 1]" 1
376 2 12 THR MG 2 13 SER H . . 4.270 2.157 1.916 3.696 . 0 0 "[ . 1]" 1
377 2 13 SER H 2 13 SER HA . . 3.050 2.804 2.756 2.834 . 0 0 "[ . 1]" 1
378 2 13 SER H 2 13 SER HB2 . . 3.140 2.474 2.075 3.147 0.007 2 0 "[ . 1]" 1
379 2 13 SER H 2 13 SER HB3 . . 3.400 3.121 2.844 3.400 0.000 3 0 "[ . 1]" 1
380 2 13 SER HA 2 15 ILE H . . 4.880 4.558 4.458 4.742 . 0 0 "[ . 1]" 1
381 2 13 SER HA 2 16 SER H . . 4.290 3.818 3.737 3.926 . 0 0 "[ . 1]" 1
382 2 13 SER HA 2 17 ALA H . . 5.160 4.419 4.353 4.456 . 0 0 "[ . 1]" 1
383 2 13 SER HB2 2 14 ILE H . . 3.510 3.122 2.482 3.518 0.008 6 0 "[ . 1]" 1
384 2 14 ILE H 2 14 ILE HB . . 3.000 2.556 2.523 2.590 . 0 0 "[ . 1]" 1
385 2 14 ILE H 2 14 ILE HG12 . . 3.770 3.478 3.186 3.814 0.044 2 0 "[ . 1]" 1
386 2 14 ILE H 2 14 ILE MG . . 3.620 3.763 3.762 3.764 0.144 10 0 "[ . 1]" 1
387 2 14 ILE H 2 15 ILE H . . 2.990 2.735 2.697 2.768 . 0 0 "[ . 1]" 1
388 2 14 ILE HA 2 14 ILE MD . . 3.690 3.706 3.508 3.814 0.124 6 0 "[ . 1]" 1
389 2 14 ILE HA 2 14 ILE MG . . 2.920 2.333 2.302 2.359 . 0 0 "[ . 1]" 1
390 2 14 ILE HA 2 15 ILE H . . 4.460 3.545 3.534 3.558 . 0 0 "[ . 1]" 1
391 2 14 ILE HA 2 17 ALA H . . 4.290 3.450 3.423 3.480 . 0 0 "[ . 1]" 1
392 2 14 ILE HA 2 17 ALA MB . . 2.860 2.436 2.249 2.632 . 0 0 "[ . 1]" 1
393 2 14 ILE HA 2 18 VAL H . . 4.420 4.043 3.920 4.155 . 0 0 "[ . 1]" 1
394 2 14 ILE HB 2 14 ILE MD . . 3.190 2.318 2.142 2.418 . 0 0 "[ . 1]" 1
395 2 14 ILE MD 2 14 ILE HG12 . . 2.590 2.106 2.072 2.118 . 0 0 "[ . 1]" 1
396 2 14 ILE HG13 2 14 ILE MG . . 3.070 3.052 2.806 3.186 0.116 6 0 "[ . 1]" 1
397 2 14 ILE MG 2 15 ILE H . . 3.610 3.449 3.327 3.515 . 0 0 "[ . 1]" 1
398 2 14 ILE MG 2 15 ILE HA . . 3.620 3.583 3.494 3.645 0.025 5 0 "[ . 1]" 1
399 2 14 ILE MG 2 17 ALA MB . . 3.120 3.182 3.149 3.230 0.110 10 0 "[ . 1]" 1
400 2 15 ILE H 2 15 ILE HB . . 3.190 2.409 2.249 2.606 . 0 0 "[ . 1]" 1
401 2 15 ILE H 2 15 ILE HG12 . . 3.980 3.436 2.015 3.934 . 0 0 "[ . 1]" 1
402 2 15 ILE H 2 15 ILE HG13 . . 3.380 2.532 2.042 3.463 0.083 4 0 "[ . 1]" 1
403 2 15 ILE H 2 16 SER H . . 3.430 2.901 2.837 2.963 . 0 0 "[ . 1]" 1
404 2 15 ILE HA 2 15 ILE MD . . 3.630 3.584 2.065 3.775 0.145 3 0 "[ . 1]" 1
405 2 15 ILE HA 2 15 ILE MG . . 2.970 2.513 2.319 2.650 . 0 0 "[ . 1]" 1
406 2 15 ILE HA 2 16 SER H . . 4.010 3.565 3.561 3.570 . 0 0 "[ . 1]" 1
407 2 15 ILE HA 2 17 ALA H . . 5.140 4.310 4.208 4.360 . 0 0 "[ . 1]" 1
408 2 15 ILE HA 2 18 VAL H . . 3.730 3.788 3.763 3.816 0.086 5 0 "[ . 1]" 1
409 2 15 ILE HA 2 18 VAL MG2 . . 3.040 2.747 2.698 2.797 . 0 0 "[ . 1]" 1
410 2 15 ILE HA 2 19 VAL H . . 4.540 4.151 4.090 4.184 . 0 0 "[ . 1]" 1
411 2 15 ILE HA 2 19 VAL MG2 . . 3.750 3.777 3.765 3.792 0.042 6 0 "[ . 1]" 1
412 2 15 ILE HB 2 15 ILE MD . . 3.360 2.490 2.344 3.224 . 0 0 "[ . 1]" 1
413 2 15 ILE HB 2 16 SER H . . 3.520 2.449 2.227 2.609 . 0 0 "[ . 1]" 1
414 2 15 ILE HG13 2 15 ILE MG . . 3.010 3.117 2.371 3.201 0.191 6 0 "[ . 1]" 1
415 2 15 ILE MG 2 16 SER H . . 3.550 2.841 2.520 3.137 . 0 0 "[ . 1]" 1
416 2 15 ILE MG 2 16 SER HA . . 3.510 3.020 2.836 3.331 . 0 0 "[ . 1]" 1
417 2 16 SER H 2 16 SER HA . . 3.060 2.791 2.786 2.799 . 0 0 "[ . 1]" 1
418 2 16 SER H 2 16 SER HB3 . . 3.880 2.456 2.072 3.021 . 0 0 "[ . 1]" 1
419 2 16 SER H 2 17 ALA H . . 3.450 2.704 2.675 2.723 . 0 0 "[ . 1]" 1
420 2 16 SER HA 2 19 VAL H . . 4.280 3.807 3.771 3.839 . 0 0 "[ . 1]" 1
421 2 16 SER HA 2 19 VAL MG2 . . 3.560 2.810 2.650 2.883 . 0 0 "[ . 1]" 1
422 2 16 SER HB3 2 17 ALA H . . 4.440 3.031 2.702 4.183 . 0 0 "[ . 1]" 1
423 2 17 ALA H 2 17 ALA MB . . 2.420 2.119 2.078 2.193 . 0 0 "[ . 1]" 1
424 2 17 ALA H 2 18 VAL H . . 3.250 2.854 2.834 2.881 . 0 0 "[ . 1]" 1
425 2 17 ALA HA 2 17 ALA MB . . 2.400 2.103 2.095 2.119 . 0 0 "[ . 1]" 1
426 2 17 ALA HA 2 18 VAL H . . 3.820 3.572 3.571 3.572 . 0 0 "[ . 1]" 1
427 2 17 ALA HA 2 20 GLY H . . 3.880 3.919 3.894 3.987 0.107 10 0 "[ . 1]" 1
428 2 17 ALA HA 2 21 ILE H . . 4.340 4.212 4.162 4.231 . 0 0 "[ . 1]" 1
429 2 17 ALA MB 2 18 VAL H . . 2.760 2.304 2.154 2.403 . 0 0 "[ . 1]" 1
430 2 17 ALA MB 2 18 VAL HA . . 3.580 3.670 3.629 3.700 0.120 7 0 "[ . 1]" 1
431 2 17 ALA MB 2 18 VAL MG2 . . 3.000 2.936 2.816 3.017 0.017 6 0 "[ . 1]" 1
432 2 17 ALA MB 2 21 ILE H . . 4.520 4.694 4.680 4.715 0.195 3 0 "[ . 1]" 1
433 2 17 ALA MB 2 21 ILE MD . . 3.080 2.869 2.723 3.051 . 0 0 "[ . 1]" 1
434 2 18 VAL H 2 18 VAL HB . . 2.960 2.785 2.766 2.806 . 0 0 "[ . 1]" 1
435 2 18 VAL H 2 18 VAL MG2 . . 2.530 1.971 1.965 1.977 . 0 0 "[ . 1]" 1
436 2 18 VAL H 2 19 VAL H . . 3.210 2.904 2.886 2.921 . 0 0 "[ . 1]" 1
437 2 18 VAL HA 2 18 VAL MG1 . . 2.760 2.321 2.252 2.348 . 0 0 "[ . 1]" 1
438 2 18 VAL HA 2 18 VAL MG2 . . 2.560 2.448 2.443 2.456 . 0 0 "[ . 1]" 1
439 2 18 VAL HA 2 21 ILE H . . 3.670 3.801 3.777 3.866 0.196 10 0 "[ . 1]" 1
440 2 18 VAL HA 2 21 ILE MD . . 3.380 3.020 2.804 3.177 . 0 0 "[ . 1]" 1
441 2 18 VAL HB 2 18 VAL MG1 . . 2.550 2.124 2.118 2.128 . 0 0 "[ . 1]" 1
442 2 18 VAL HB 2 18 VAL MG2 . . 2.480 2.091 2.087 2.097 . 0 0 "[ . 1]" 1
443 2 18 VAL HB 2 22 LEU QD . . 4.000 4.244 4.219 4.304 0.304 9 0 "[ . 1]" 1
444 2 18 VAL MG1 2 19 VAL H . . 3.480 3.532 3.508 3.585 0.105 10 0 "[ . 1]" 1
445 2 18 VAL MG1 2 22 LEU HG . . 3.210 3.178 2.910 3.276 0.066 6 0 "[ . 1]" 1
446 2 19 VAL H 2 19 VAL HB . . 3.220 2.602 2.593 2.612 . 0 0 "[ . 1]" 1
447 2 19 VAL H 2 19 VAL MG2 . . 2.830 1.965 1.935 2.023 . 0 0 "[ . 1]" 1
448 2 19 VAL HA 2 19 VAL MG1 . . 2.810 2.322 2.307 2.334 . 0 0 "[ . 1]" 1
449 2 19 VAL HA 2 19 VAL MG2 . . 2.700 2.420 2.403 2.430 . 0 0 "[ . 1]" 1
450 2 19 VAL HA 2 22 LEU H . . 3.730 3.851 3.664 3.907 0.177 6 0 "[ . 1]" 1
451 2 19 VAL HA 2 22 LEU QD . . 3.510 3.395 3.108 3.471 . 0 0 "[ . 1]" 1
452 2 19 VAL HA 2 23 LEU H . . 4.150 3.786 3.673 4.216 0.066 9 0 "[ . 1]" 1
453 2 19 VAL HB 2 20 GLY H . . 3.560 2.193 2.120 2.225 . 0 0 "[ . 1]" 1
454 2 19 VAL MG1 2 20 GLY H . . 3.000 3.030 2.985 3.043 0.043 4 0 "[ . 1]" 1
455 2 19 VAL MG1 2 20 GLY HA2 . . 3.340 3.298 3.274 3.345 0.005 10 0 "[ . 1]" 1
456 2 19 VAL MG1 2 23 LEU HG . . 3.240 2.661 2.527 3.143 . 0 0 "[ . 1]" 1
457 2 20 GLY HA2 2 23 LEU H . . 4.160 4.013 3.681 4.102 . 0 0 "[ . 1]" 1
458 2 20 GLY HA2 2 23 LEU QD . . 3.690 2.148 2.030 2.503 . 0 0 "[ . 1]" 1
459 2 21 ILE H 2 21 ILE HA . . 3.080 2.788 2.777 2.792 . 0 0 "[ . 1]" 1
460 2 21 ILE H 2 21 ILE HB . . 2.980 2.493 2.418 2.513 . 0 0 "[ . 1]" 1
461 2 21 ILE H 2 21 ILE HG13 . . 3.180 2.185 2.122 2.387 . 0 0 "[ . 1]" 1
462 2 21 ILE HA 2 21 ILE MG . . 2.840 2.373 2.352 2.454 . 0 0 "[ . 1]" 1
463 2 21 ILE HA 2 22 LEU H . . 4.040 3.561 3.535 3.568 . 0 0 "[ . 1]" 1
464 2 21 ILE HA 2 24 VAL H . . 3.910 3.789 3.625 3.832 . 0 0 "[ . 1]" 1
465 2 21 ILE HA 2 24 VAL MG2 . . 3.190 2.966 2.857 3.104 . 0 0 "[ . 1]" 1
466 2 21 ILE HA 2 25 VAL H . . 4.150 4.187 4.122 4.220 0.070 5 0 "[ . 1]" 1
467 2 21 ILE HB 2 21 ILE MD . . 3.120 2.308 2.193 2.422 . 0 0 "[ . 1]" 1
468 2 21 ILE HB 2 21 ILE MG . . 2.600 2.095 2.091 2.111 . 0 0 "[ . 1]" 1
469 2 21 ILE HB 2 22 LEU H . . 3.320 2.395 2.320 2.690 . 0 0 "[ . 1]" 1
470 2 21 ILE MD 2 21 ILE HG12 . . 2.400 2.084 2.073 2.103 . 0 0 "[ . 1]" 1
471 2 21 ILE MD 2 21 ILE HG13 . . 2.600 2.088 2.076 2.107 . 0 0 "[ . 1]" 1
472 2 21 ILE HG12 2 21 ILE MG . . 2.460 2.262 2.181 2.349 . 0 0 "[ . 1]" 1
473 2 21 ILE MG 2 22 LEU H . . 3.030 3.146 3.122 3.232 0.202 9 0 "[ . 1]" 1
474 2 21 ILE MG 2 22 LEU HA . . 3.330 3.328 3.237 3.353 0.023 4 0 "[ . 1]" 1
475 2 21 ILE MG 2 24 VAL HB . . 3.510 3.734 3.663 3.754 0.244 5 0 "[ . 1]" 1
476 2 22 LEU H 2 22 LEU HB2 . . 3.020 2.049 2.039 2.053 . 0 0 "[ . 1]" 1
477 2 22 LEU H 2 22 LEU HB3 . . 3.480 3.216 3.191 3.252 . 0 0 "[ . 1]" 1
478 2 22 LEU H 2 23 LEU H . . 3.180 2.988 2.813 3.036 . 0 0 "[ . 1]" 1
479 2 22 LEU HA 2 22 LEU QD . . 3.010 2.092 2.053 2.301 . 0 0 "[ . 1]" 1
480 2 22 LEU HA 2 25 VAL H . . 3.580 3.599 3.594 3.609 0.029 10 0 "[ . 1]" 1
481 2 22 LEU HA 2 25 VAL MG2 . . 3.000 3.142 3.101 3.162 0.162 5 0 "[ . 1]" 1
482 2 22 LEU QD 2 25 VAL HB . . 3.860 3.089 3.032 3.278 . 0 0 "[ . 1]" 1
483 2 23 LEU H 2 23 LEU QB . . 2.950 2.602 2.548 2.782 . 0 0 "[ . 1]" 1
484 2 23 LEU H 2 23 LEU HG . . 3.520 2.042 1.924 2.092 . 0 0 "[ . 1]" 1
485 2 23 LEU H 2 24 VAL H . . 3.380 3.018 2.862 3.059 . 0 0 "[ . 1]" 1
486 2 23 LEU HA 2 23 LEU QD . . 3.300 2.385 2.064 2.473 . 0 0 "[ . 1]" 1
487 2 23 LEU HA 2 24 VAL H . . 4.250 3.567 3.562 3.568 . 0 0 "[ . 1]" 1
488 2 23 LEU HA 2 26 VAL QG . . 3.110 2.047 1.943 2.444 . 0 0 "[ . 1]" 1
489 2 23 LEU QB 2 24 VAL H . . 3.760 2.252 2.227 2.335 . 0 0 "[ . 1]" 1
490 2 23 LEU QB 2 26 VAL QG . . 3.600 3.812 3.761 3.993 0.393 10 0 "[ . 1]" 1
491 2 23 LEU QD 2 26 VAL HB . . 4.110 4.206 4.185 4.253 0.143 10 0 "[ . 1]" 1
492 2 24 VAL H 2 24 VAL HB . . 3.120 2.582 2.571 2.587 . 0 0 "[ . 1]" 1
493 2 24 VAL H 2 24 VAL MG2 . . 2.850 2.094 1.958 2.239 . 0 0 "[ . 1]" 1
494 2 24 VAL H 2 25 VAL H . . 3.210 2.883 2.806 2.906 . 0 0 "[ . 1]" 1
495 2 24 VAL HA 2 24 VAL MG1 . . 2.700 2.348 2.315 2.381 . 0 0 "[ . 1]" 1
496 2 24 VAL HA 2 27 LEU MD1 . . 3.180 3.501 3.395 3.542 0.362 4 0 "[ . 1]" 1
497 2 24 VAL HB 2 24 VAL MG1 . . 2.610 2.118 2.102 2.128 . 0 0 "[ . 1]" 1
498 2 24 VAL MG1 2 25 VAL H . . 3.370 3.250 3.207 3.345 . 0 0 "[ . 1]" 1
499 2 24 VAL MG1 2 28 GLY H . . 4.330 3.930 3.870 3.972 . 0 0 "[ . 1]" 1
500 2 25 VAL H 2 25 VAL HB . . 2.890 2.482 2.462 2.489 . 0 0 "[ . 1]" 1
501 2 25 VAL H 2 25 VAL MG2 . . 2.560 2.377 2.365 2.410 . 0 0 "[ . 1]" 1
502 2 25 VAL H 2 26 VAL H . . 3.140 2.689 2.667 2.697 . 0 0 "[ . 1]" 1
503 2 25 VAL HA 2 25 VAL MG1 . . 2.730 2.428 2.425 2.432 . 0 0 "[ . 1]" 1
504 2 25 VAL HA 2 25 VAL MG2 . . 2.520 2.259 2.251 2.262 . 0 0 "[ . 1]" 1
505 2 25 VAL HA 2 28 GLY H . . 3.930 3.599 3.541 3.631 . 0 0 "[ . 1]" 1
506 2 25 VAL HA 2 29 VAL H . . 4.340 3.514 3.493 3.560 . 0 0 "[ . 1]" 1
507 2 25 VAL HB 2 25 VAL MG1 . . 2.550 2.128 2.128 2.129 . 0 0 "[ . 1]" 1
508 2 25 VAL HB 2 25 VAL MG2 . . 2.550 2.086 2.085 2.086 . 0 0 "[ . 1]" 1
509 2 25 VAL HB 2 26 VAL H . . 3.330 2.640 2.586 2.665 . 0 0 "[ . 1]" 1
510 2 25 VAL MG1 2 26 VAL H . . 3.100 3.348 3.276 3.379 0.279 5 0 "[ . 1]" 1
511 2 25 VAL MG1 2 29 VAL H . . 4.210 3.580 3.561 3.624 . 0 0 "[ . 1]" 1
512 2 26 VAL H 2 26 VAL HB . . 3.220 2.645 2.539 2.676 . 0 0 "[ . 1]" 1
513 2 26 VAL H 2 26 VAL QG . . 2.540 2.108 2.091 2.151 . 0 0 "[ . 1]" 1
514 2 26 VAL HA 2 26 VAL QG . . 2.580 2.077 2.066 2.120 . 0 0 "[ . 1]" 1
515 2 26 VAL HA 2 29 VAL H . . 3.980 4.076 4.058 4.090 0.110 7 0 "[ . 1]" 1
516 2 26 VAL QG 2 27 LEU H . . 3.070 2.974 2.942 2.987 . 0 0 "[ . 1]" 1
517 2 26 VAL QG 2 27 LEU HA . . 3.320 3.346 3.203 3.390 0.070 7 0 "[ . 1]" 1
518 2 27 LEU H 2 27 LEU HA . . 3.110 2.835 2.827 2.850 . 0 0 "[ . 1]" 1
519 2 27 LEU H 2 27 LEU HB2 . . 3.140 2.524 2.513 2.532 . 0 0 "[ . 1]" 1
520 2 27 LEU H 2 27 LEU HB3 . . 3.660 3.591 3.588 3.596 . 0 0 "[ . 1]" 1
521 2 27 LEU H 2 27 LEU MD2 . . 3.410 3.399 3.391 3.417 0.007 10 0 "[ . 1]" 1
522 2 27 LEU H 2 27 LEU HG . . 3.210 2.185 2.170 2.218 . 0 0 "[ . 1]" 1
523 2 27 LEU H 2 28 GLY H . . 3.170 2.650 2.596 2.685 . 0 0 "[ . 1]" 1
524 2 27 LEU HA 2 27 LEU MD2 . . 2.730 2.022 2.006 2.031 . 0 0 "[ . 1]" 1
525 2 27 LEU HA 2 28 GLY H . . 4.220 3.556 3.554 3.558 . 0 0 "[ . 1]" 1
526 2 27 LEU HA 2 29 VAL H . . 4.770 4.480 4.446 4.498 . 0 0 "[ . 1]" 1
527 2 27 LEU HA 2 30 VAL H . . 4.040 3.731 3.711 3.745 . 0 0 "[ . 1]" 1
528 2 27 LEU HA 2 30 VAL MG1 . . 3.450 3.551 3.538 3.579 0.129 10 0 "[ . 1]" 1
529 2 27 LEU HA 2 30 VAL MG2 . . 3.520 3.582 3.572 3.602 0.082 4 0 "[ . 1]" 1
530 2 27 LEU HA 2 31 PHE H . . 4.190 3.406 3.378 3.434 . 0 0 "[ . 1]" 1
531 2 27 LEU HB2 2 28 GLY H . . 3.810 2.455 2.431 2.472 . 0 0 "[ . 1]" 1
532 2 27 LEU HB3 2 27 LEU MD1 . . 2.720 2.452 2.446 2.466 . 0 0 "[ . 1]" 1
533 2 27 LEU HB3 2 27 LEU MD2 . . 2.930 2.357 2.351 2.362 . 0 0 "[ . 1]" 1
534 2 27 LEU MD1 2 27 LEU HG . . 2.600 2.126 2.125 2.126 . 0 0 "[ . 1]" 1
535 2 27 LEU MD1 2 31 PHE QE . . 4.060 4.134 4.131 4.138 0.078 10 0 "[ . 1]" 1
536 2 27 LEU MD2 2 30 VAL HB . . 3.550 3.644 3.631 3.655 0.105 9 0 "[ . 1]" 1
537 2 27 LEU MD2 2 31 PHE QE . . 3.660 1.978 1.926 2.414 . 0 0 "[ . 1]" 1
538 2 28 GLY H 2 29 VAL H . . 3.490 2.904 2.882 2.914 . 0 0 "[ . 1]" 1
539 2 28 GLY H 2 31 PHE HB2 . . 4.810 4.902 4.878 4.907 0.097 3 0 "[ . 1]" 1
540 2 28 GLY HA2 2 31 PHE H . . 4.150 4.152 4.151 4.153 0.003 10 0 "[ . 1]" 1
541 2 29 VAL H 2 29 VAL HB . . 3.100 2.408 2.405 2.410 . 0 0 "[ . 1]" 1
542 2 29 VAL H 2 29 VAL MG1 . . 3.950 3.743 3.741 3.744 . 0 0 "[ . 1]" 1
543 2 29 VAL H 2 29 VAL MG2 . . 2.510 2.369 2.360 2.374 . 0 0 "[ . 1]" 1
544 2 29 VAL HA 2 29 VAL MG1 . . 2.780 2.445 2.440 2.448 . 0 0 "[ . 1]" 1
545 2 29 VAL HA 2 29 VAL MG2 . . 2.540 2.347 2.310 2.368 . 0 0 "[ . 1]" 1
546 2 29 VAL HA 2 30 VAL H . . 4.350 3.567 3.566 3.568 . 0 0 "[ . 1]" 1
547 2 29 VAL HB 2 29 VAL MG1 . . 2.610 2.127 2.126 2.128 . 0 0 "[ . 1]" 1
548 2 29 VAL HB 2 29 VAL MG2 . . 2.540 2.127 2.122 2.131 . 0 0 "[ . 1]" 1
549 2 29 VAL HB 2 30 VAL H . . 3.520 2.360 2.350 2.367 . 0 0 "[ . 1]" 1
550 2 29 VAL MG1 2 30 VAL H . . 2.920 2.986 2.980 2.993 0.073 7 0 "[ . 1]" 1
551 2 29 VAL MG1 2 30 VAL HA . . 3.400 3.100 3.097 3.104 . 0 0 "[ . 1]" 1
552 2 29 VAL MG1 2 33 ILE HG13 . . 3.270 3.104 2.882 3.265 . 0 0 "[ . 1]" 1
553 2 30 VAL H 2 30 VAL HB . . 3.200 2.414 2.405 2.419 . 0 0 "[ . 1]" 1
554 2 30 VAL H 2 30 VAL MG1 . . 3.850 3.742 3.739 3.744 . 0 0 "[ . 1]" 1
555 2 30 VAL H 2 30 VAL MG2 . . 2.460 2.463 2.452 2.470 0.010 9 0 "[ . 1]" 1
556 2 30 VAL H 2 31 PHE H . . 3.430 2.855 2.839 2.860 . 0 0 "[ . 1]" 1
557 2 30 VAL HA 2 30 VAL MG2 . . 2.400 2.188 2.184 2.196 . 0 0 "[ . 1]" 1
558 2 30 VAL HA 2 31 PHE H . . 4.190 3.540 3.529 3.546 . 0 0 "[ . 1]" 1
559 2 30 VAL HA 2 33 ILE H . . 4.050 4.075 4.043 4.103 0.053 9 0 "[ . 1]" 1
560 2 30 VAL HA 2 33 ILE MD . . 3.420 3.393 3.350 3.419 . 0 0 "[ . 1]" 1
561 2 30 VAL HA 2 34 LEU H . . 4.360 4.001 3.966 4.033 . 0 0 "[ . 1]" 1
562 2 30 VAL HB 2 31 PHE H . . 3.350 2.676 2.637 2.745 . 0 0 "[ . 1]" 1
563 2 30 VAL MG1 2 31 PHE H . . 3.400 3.158 3.113 3.216 . 0 0 "[ . 1]" 1
564 2 30 VAL MG1 2 31 PHE HA . . 4.010 3.269 3.254 3.274 . 0 0 "[ . 1]" 1
565 2 30 VAL MG1 2 31 PHE QB . . 4.130 4.218 4.182 4.285 0.155 4 0 "[ . 1]" 1
566 2 30 VAL MG1 2 31 PHE QD . . 4.140 2.318 1.986 2.367 . 0 0 "[ . 1]" 1
567 2 30 VAL MG1 2 34 LEU HG . . 3.180 2.711 2.607 2.755 . 0 0 "[ . 1]" 1
568 2 30 VAL MG2 2 31 PHE H . . 4.230 4.010 3.995 4.036 . 0 0 "[ . 1]" 1
569 2 31 PHE H 2 31 PHE HB2 . . 3.130 2.311 2.297 2.319 . 0 0 "[ . 1]" 1
570 2 31 PHE H 2 31 PHE HB3 . . 3.540 3.567 3.560 3.571 0.031 10 0 "[ . 1]" 1
571 2 31 PHE H 2 31 PHE QD . . 4.690 2.058 2.000 2.309 . 0 0 "[ . 1]" 1
572 2 31 PHE H 2 32 GLY H . . 3.440 2.480 2.438 2.514 . 0 0 "[ . 1]" 1
573 2 31 PHE HA 2 32 GLY H . . 4.430 3.535 3.514 3.549 . 0 0 "[ . 1]" 1
574 2 31 PHE HA 2 33 ILE H . . 5.310 4.490 4.425 4.539 . 0 0 "[ . 1]" 1
575 2 31 PHE HA 2 34 LEU H . . 4.010 3.636 3.606 3.666 . 0 0 "[ . 1]" 1
576 2 31 PHE HA 2 34 LEU MD1 . . 3.530 3.027 2.957 3.110 . 0 0 "[ . 1]" 1
577 2 31 PHE HA 2 35 ILE H . . 4.440 3.201 3.146 3.232 . 0 0 "[ . 1]" 1
578 2 31 PHE HA 2 35 ILE MD . . 4.480 3.080 2.963 3.281 . 0 0 "[ . 1]" 1
579 2 31 PHE HB2 2 32 GLY H . . 4.020 2.709 2.617 2.826 . 0 0 "[ . 1]" 1
580 2 31 PHE HB3 2 32 GLY H . . 3.940 3.511 3.421 3.627 . 0 0 "[ . 1]" 1
581 2 31 PHE HB3 2 35 ILE MD . . 3.680 1.900 1.875 1.916 . 0 0 "[ . 1]" 1
582 2 31 PHE QE 2 35 ILE MD . . 4.030 4.126 4.109 4.201 0.171 4 0 "[ . 1]" 1
583 2 32 GLY H 2 33 ILE H . . 3.520 2.884 2.842 2.930 . 0 0 "[ . 1]" 1
584 2 32 GLY H 2 33 ILE HG13 . . 4.730 4.709 4.652 4.732 0.002 10 0 "[ . 1]" 1
585 2 33 ILE H 2 33 ILE HB . . 3.160 2.502 2.494 2.512 . 0 0 "[ . 1]" 1
586 2 33 ILE H 2 33 ILE HG12 . . 3.830 3.725 3.639 3.799 . 0 0 "[ . 1]" 1
587 2 33 ILE H 2 33 ILE HG13 . . 3.270 2.269 2.198 2.344 . 0 0 "[ . 1]" 1
588 2 33 ILE H 2 34 LEU H . . 3.140 2.600 2.540 2.647 . 0 0 "[ . 1]" 1
589 2 33 ILE HA 2 33 ILE MG . . 2.760 2.329 2.301 2.373 . 0 0 "[ . 1]" 1
590 2 33 ILE HA 2 34 LEU H . . 3.960 3.562 3.556 3.565 . 0 0 "[ . 1]" 1
591 2 33 ILE HA 2 37 ARG H . . 4.190 4.044 3.800 4.218 0.028 2 0 "[ . 1]" 1
592 2 33 ILE HB 2 33 ILE MD . . 3.010 2.242 2.215 2.285 . 0 0 "[ . 1]" 1
593 2 33 ILE HB 2 33 ILE MG . . 2.550 2.099 2.083 2.125 . 0 0 "[ . 1]" 1
594 2 33 ILE HB 2 34 LEU H . . 3.420 2.391 2.350 2.460 . 0 0 "[ . 1]" 1
595 2 33 ILE MD 2 33 ILE HG12 . . 2.560 2.116 2.114 2.118 . 0 0 "[ . 1]" 1
596 2 33 ILE MG 2 34 LEU H . . 3.470 3.280 3.212 3.347 . 0 0 "[ . 1]" 1
597 2 33 ILE MG 2 34 LEU HA . . 3.750 3.439 3.302 3.521 . 0 0 "[ . 1]" 1
598 2 33 ILE MG 2 37 ARG HD3 . . 3.130 2.549 2.242 3.098 . 0 0 "[ . 1]" 1
599 2 34 LEU H 2 34 LEU HB2 . . 3.220 2.321 2.311 2.332 . 0 0 "[ . 1]" 1
600 2 34 LEU H 2 34 LEU HB3 . . 3.630 3.557 3.554 3.559 . 0 0 "[ . 1]" 1
601 2 34 LEU H 2 34 LEU MD2 . . 3.490 3.516 3.485 3.534 0.044 6 0 "[ . 1]" 1
602 2 34 LEU H 2 34 LEU HG . . 3.200 2.572 2.546 2.595 . 0 0 "[ . 1]" 1
603 2 34 LEU H 2 35 ILE H . . 3.330 2.959 2.858 3.036 . 0 0 "[ . 1]" 1
604 2 34 LEU HA 2 34 LEU MD2 . . 2.760 1.955 1.948 1.960 . 0 0 "[ . 1]" 1
605 2 34 LEU HA 2 35 ILE H . . 4.190 3.567 3.555 3.571 . 0 0 "[ . 1]" 1
606 2 34 LEU HA 2 37 ARG H . . 3.970 3.762 3.609 3.930 . 0 0 "[ . 1]" 1
607 2 34 LEU HA 2 38 ARG H . . 4.490 4.501 4.473 4.543 0.053 2 0 "[ . 1]" 1
608 2 34 LEU HB3 2 34 LEU MD1 . . 3.050 2.384 2.358 2.420 . 0 0 "[ . 1]" 1
609 2 34 LEU HB3 2 34 LEU MD2 . . 3.010 2.356 2.352 2.362 . 0 0 "[ . 1]" 1
610 2 34 LEU MD1 2 34 LEU HG . . 2.550 2.122 2.107 2.126 . 0 0 "[ . 1]" 1
611 2 34 LEU MD2 2 34 LEU HG . . 2.570 2.126 2.125 2.126 . 0 0 "[ . 1]" 1
612 2 34 LEU MD2 2 37 ARG HD3 . . 3.220 3.117 2.924 3.231 0.011 3 0 "[ . 1]" 1
613 2 35 ILE H 2 35 ILE HB . . 3.040 2.459 2.427 2.483 . 0 0 "[ . 1]" 1
614 2 35 ILE H 2 35 ILE HG12 . . 3.760 3.753 3.632 3.790 0.030 10 0 "[ . 1]" 1
615 2 35 ILE H 2 35 ILE HG13 . . 3.270 2.308 2.231 2.351 . 0 0 "[ . 1]" 1
616 2 35 ILE H 2 36 LYS H . . 3.400 2.763 2.673 2.845 . 0 0 "[ . 1]" 1
617 2 35 ILE HA 2 35 ILE MG . . 2.850 2.400 2.385 2.414 . 0 0 "[ . 1]" 1
618 2 35 ILE HA 2 36 LYS H . . 3.660 3.556 3.546 3.560 . 0 0 "[ . 1]" 1
619 2 35 ILE HA 2 38 ARG H . . 3.790 3.294 3.144 3.535 . 0 0 "[ . 1]" 1
620 2 35 ILE HA 2 39 GLN H . . 4.600 4.122 3.571 4.605 0.005 3 0 "[ . 1]" 1
621 2 35 ILE HB 2 35 ILE MD . . 2.990 2.198 2.138 2.287 . 0 0 "[ . 1]" 1
622 2 35 ILE HB 2 35 ILE MG . . 2.500 2.090 2.086 2.115 . 0 0 "[ . 1]" 1
623 2 35 ILE MD 2 35 ILE HG12 . . 2.400 2.111 2.104 2.115 . 0 0 "[ . 1]" 1
624 2 35 ILE MD 2 35 ILE HG13 . . 2.400 2.111 2.105 2.116 . 0 0 "[ . 1]" 1
625 2 35 ILE MD 2 35 ILE MG . . 2.480 2.351 2.136 2.481 0.001 5 0 "[ . 1]" 1
626 2 35 ILE HG12 2 35 ILE MG . . 2.870 2.144 2.077 2.236 . 0 0 "[ . 1]" 1
627 2 35 ILE HG13 2 35 ILE MG . . 2.910 3.141 3.118 3.175 0.265 1 0 "[ . 1]" 1
628 2 35 ILE MG 2 36 LYS H . . 3.200 3.211 3.187 3.227 0.027 2 0 "[ . 1]" 1
629 2 35 ILE MG 2 36 LYS HA . . 3.500 3.359 3.269 3.398 . 0 0 "[ . 1]" 1
630 2 35 ILE MG 2 38 ARG HD3 . . 4.250 3.879 3.324 4.259 0.009 1 0 "[ . 1]" 1
631 2 35 ILE MG 2 39 GLN HG2 . . 3.860 3.472 2.506 3.896 0.036 2 0 "[ . 1]" 1
632 2 36 LYS H 2 37 ARG H . . 3.200 2.776 2.622 2.964 . 0 0 "[ . 1]" 1
633 2 36 LYS HA 2 37 ARG H . . 3.940 3.498 3.404 3.569 . 0 0 "[ . 1]" 1
634 2 36 LYS HA 2 38 ARG H . . 4.390 4.373 4.276 4.422 0.032 2 0 "[ . 1]" 1
635 2 36 LYS HA 2 39 GLN H . . 3.820 3.723 3.485 3.850 0.030 2 0 "[ . 1]" 1
636 2 37 ARG H 2 38 ARG H . . 3.090 2.512 2.375 2.827 . 0 0 "[ . 1]" 1
637 2 38 ARG H 2 38 ARG HA . . 2.950 2.830 2.787 2.895 . 0 0 "[ . 1]" 1
638 2 38 ARG H 2 39 GLN H . . 2.950 2.646 2.458 2.784 . 0 0 "[ . 1]" 1
639 2 39 GLN H 2 39 GLN HA . . 2.770 2.713 2.280 2.913 0.143 6 0 "[ . 1]" 1
640 2 39 GLN HA 2 40 GLN H . . 2.800 2.511 2.143 2.785 . 0 0 "[ . 1]" 1
641 2 40 GLN HA 2 41 LYS H . . 2.760 2.465 2.139 2.720 . 0 0 "[ . 1]" 1
642 2 41 LYS HA 2 42 ILE H . . 2.920 2.447 2.159 2.890 . 0 0 "[ . 1]" 1
643 2 42 ILE HA 2 43 ARG H . . 2.850 2.312 2.143 2.584 . 0 0 "[ . 1]" 1
644 2 43 ARG HA 2 44 LYS H . . 2.940 2.377 2.143 2.583 . 0 0 "[ . 1]" 1
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