NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403774 |
1wr7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wr7
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 543
_Distance_constraint_stats_list.Viol_count 2837
_Distance_constraint_stats_list.Viol_total 21118.027
_Distance_constraint_stats_list.Viol_max 2.122
_Distance_constraint_stats_list.Viol_rms 0.2521
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0972
_Distance_constraint_stats_list.Viol_average_violations_only 0.3722
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 ILE 13.454 0.474 2 0 "[ . 1 . 2]"
1 6 GLN 17.412 0.684 19 2 "[ . -1 . +2]"
1 7 SER 11.530 0.539 1 1 "[+ . 1 . 2]"
1 8 PHE 19.779 0.627 14 8 "[* ** -** +. *2]"
1 9 LEU 90.671 1.264 10 20 [*****-***+**********]
1 10 PRO 7.258 0.328 11 0 "[ . 1 . 2]"
1 11 PRO 7.444 0.590 4 6 "[ +.- 1 * *** 2]"
1 12 GLY 8.232 0.590 4 6 "[ +.- 1 * *** 2]"
1 13 TRP 135.389 1.264 10 20 [*********+*********-]
1 14 GLU 51.579 1.236 18 20 [*****************+-*]
1 15 MET 106.868 2.122 18 20 [*****************+-*]
1 16 ARG 54.205 1.289 13 20 [************+*******]
1 17 ILE 195.188 1.363 17 20 [***************-+***]
1 18 ALA 59.920 1.261 9 20 [********+******-****]
1 19 PRO 0.030 0.030 10 0 "[ . 1 . 2]"
1 20 ASN 8.079 0.410 2 0 "[ . 1 . 2]"
1 21 GLY 20.961 0.945 13 17 "[ ******* ** +*****-*]"
1 22 ARG 36.643 1.191 5 8 "[ * +* *** . *-]"
1 23 PRO 72.371 1.309 14 20 [***-*********+******]
1 24 PHE 190.867 2.122 18 20 [************-****+**]
1 25 PHE 114.698 1.477 4 20 [***+*******-********]
1 26 ILE 146.893 1.745 18 20 [************-****+**]
1 27 ASP 21.333 0.408 20 0 "[ . 1 . 2]"
1 28 HIS 77.663 1.745 18 20 [************-****+**]
1 29 ASN 44.398 0.454 8 0 "[ . 1 . 2]"
1 30 THR 16.935 0.422 15 0 "[ . 1 . 2]"
1 31 LYS 12.776 0.469 6 0 "[ . 1 . 2]"
1 32 THR 14.271 0.591 1 3 "[+ . 1 * -]"
1 33 THR 32.352 0.591 1 1 "[+ . 1 . 2]"
1 34 THR 38.119 1.191 4 20 [***+****************]
1 35 TRP 163.958 1.934 15 20 [**************+****-]
1 36 GLU 76.887 1.934 15 20 [***-**********+*****]
1 37 ASP 47.737 1.763 18 20 [*************-***+**]
1 38 PRO 12.002 0.432 13 0 "[ . 1 . 2]"
1 39 ARG 28.581 0.831 19 3 "[ *- 1 . +2]"
1 40 LEU 2.602 0.432 13 0 "[ . 1 . 2]"
1 41 LYS 2.603 0.307 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 ILE H 1 5 ILE HA 3.000 . 4.100 2.811 2.267 2.948 . 0 0 "[ . 1 . 2]" 1
2 1 5 ILE H 1 5 ILE HB 2.300 . 3.000 3.092 2.383 3.469 0.469 6 0 "[ . 1 . 2]" 1
3 1 5 ILE H 1 5 ILE HG12 2.900 . 4.000 2.829 1.773 3.651 0.027 12 0 "[ . 1 . 2]" 1
4 1 5 ILE H 1 5 ILE HG13 2.500 . 3.300 2.488 1.747 3.508 0.208 7 0 "[ . 1 . 2]" 1
5 1 5 ILE H 1 5 ILE MG 2.700 . 3.600 3.609 2.855 3.908 0.308 3 0 "[ . 1 . 2]" 1
6 1 5 ILE H 1 6 GLN H 2.900 . 3.900 3.600 2.186 4.357 0.457 6 0 "[ . 1 . 2]" 1
7 1 5 ILE HA 1 6 GLN H 2.200 . 2.800 2.435 2.119 3.274 0.474 2 0 "[ . 1 . 2]" 1
8 1 5 ILE MG 1 6 GLN H 2.800 . 3.800 3.801 3.015 4.180 0.380 17 0 "[ . 1 . 2]" 1
9 1 6 GLN H 1 6 GLN HA 2.800 . 3.800 2.832 2.260 2.944 . 0 0 "[ . 1 . 2]" 1
10 1 6 GLN H 1 6 GLN HB2 2.800 . 3.700 2.697 2.139 4.045 0.345 20 0 "[ . 1 . 2]" 1
11 1 6 GLN H 1 6 GLN HB3 2.600 . 3.400 3.317 2.137 4.084 0.684 19 2 "[ . -1 . +2]" 1
12 1 6 GLN H 1 6 GLN QG 2.700 . 3.600 3.464 2.261 3.982 0.382 12 0 "[ . 1 . 2]" 1
13 1 6 GLN H 1 7 SER H 3.000 . 4.200 3.506 2.018 4.564 0.364 7 0 "[ . 1 . 2]" 1
14 1 6 GLN HA 1 7 SER H 2.400 . 3.100 2.743 2.120 3.481 0.381 4 0 "[ . 1 . 2]" 1
15 1 6 GLN HB2 1 7 SER H 3.100 . 4.300 3.900 2.021 4.667 0.367 18 0 "[ . 1 . 2]" 1
16 1 6 GLN HB3 1 7 SER H 3.200 . 4.500 3.511 1.837 4.608 0.108 5 0 "[ . 1 . 2]" 1
17 1 6 GLN HE21 1 6 GLN QG 2.600 . 3.500 2.275 2.089 2.864 . 0 0 "[ . 1 . 2]" 1
18 1 6 GLN QG 1 7 SER H 3.300 . 4.700 3.714 1.994 4.776 0.076 13 0 "[ . 1 . 2]" 1
19 1 7 SER H 1 7 SER HA 2.500 . 3.300 2.812 2.258 2.941 . 0 0 "[ . 1 . 2]" 1
20 1 7 SER H 1 7 SER QB 2.400 . 3.100 2.930 2.667 3.383 0.283 4 0 "[ . 1 . 2]" 1
21 1 7 SER HA 1 8 PHE H 2.300 . 3.000 2.346 2.130 3.243 0.243 6 0 "[ . 1 . 2]" 1
22 1 7 SER QB 1 8 PHE H 2.500 . 3.300 3.405 1.925 3.839 0.539 1 1 "[+ . 1 . 2]" 1
23 1 8 PHE H 1 8 PHE HA 3.000 . 4.100 2.824 2.250 2.947 . 0 0 "[ . 1 . 2]" 1
24 1 8 PHE H 1 8 PHE HB2 2.700 . 3.600 2.792 2.109 3.692 0.092 11 0 "[ . 1 . 2]" 1
25 1 8 PHE H 1 8 PHE HB3 2.500 . 3.300 3.490 3.027 3.927 0.627 14 4 "[ * -* +. 2]" 1
26 1 8 PHE H 1 8 PHE QD 2.600 . 3.500 3.332 2.622 4.016 0.516 6 1 "[ .+ 1 . 2]" 1
27 1 8 PHE H 1 9 LEU H 2.800 . 3.800 3.440 1.973 4.350 0.550 11 3 "[ .- 1+ . *2]" 1
28 1 8 PHE HA 1 8 PHE QD 3.100 . 4.300 2.788 1.878 3.709 0.022 7 0 "[ . 1 . 2]" 1
29 1 8 PHE HA 1 9 LEU H 2.700 . 3.600 3.092 2.202 3.569 . 0 0 "[ . 1 . 2]" 1
30 1 8 PHE HB2 1 8 PHE QD 2.500 . 3.300 2.441 2.266 2.753 . 0 0 "[ . 1 . 2]" 1
31 1 8 PHE HB2 1 9 LEU H 2.700 . 3.600 2.876 1.757 4.090 0.490 7 0 "[ . 1 . 2]" 1
32 1 8 PHE HB3 1 8 PHE QD 2.400 . 3.100 2.404 2.263 2.663 . 0 0 "[ . 1 . 2]" 1
33 1 8 PHE HB3 1 8 PHE QE 3.300 . 4.600 4.409 4.366 4.480 . 0 0 "[ . 1 . 2]" 1
34 1 8 PHE HB3 1 9 LEU H 2.800 . 3.700 2.818 1.743 3.923 0.223 20 0 "[ . 1 . 2]" 1
35 1 8 PHE QD 1 9 LEU H 3.100 . 4.300 3.522 1.811 4.740 0.440 20 0 "[ . 1 . 2]" 1
36 1 9 LEU H 1 9 LEU HA 3.000 . 4.100 2.925 2.879 2.950 . 0 0 "[ . 1 . 2]" 1
37 1 9 LEU H 1 9 LEU QB 2.400 . 3.100 2.774 2.523 2.961 . 0 0 "[ . 1 . 2]" 1
38 1 9 LEU H 1 9 LEU MD1 2.600 . 3.500 2.592 2.124 3.424 . 0 0 "[ . 1 . 2]" 1
39 1 9 LEU H 1 9 LEU MD2 2.700 . 3.600 3.950 3.622 4.193 0.593 3 1 "[ + . 1 . 2]" 1
40 1 9 LEU H 1 9 LEU HG 2.400 . 3.100 2.461 1.933 2.862 . 0 0 "[ . 1 . 2]" 1
41 1 9 LEU HA 1 10 PRO QD 2.800 . 3.800 2.130 1.923 2.372 . 0 0 "[ . 1 . 2]" 1
42 1 9 LEU HA 1 39 ARG QD 3.100 . 4.300 2.730 1.834 4.175 0.066 14 0 "[ . 1 . 2]" 1
43 1 9 LEU QB 1 10 PRO QD 3.300 . 4.100 1.989 1.844 2.157 0.156 11 0 "[ . 1 . 2]" 1
44 1 9 LEU QB 1 13 TRP H 3.200 . 4.500 3.821 3.638 3.982 . 0 0 "[ . 1 . 2]" 1
45 1 9 LEU QB 1 13 TRP HA 3.900 . 5.200 4.517 4.282 4.729 . 0 0 "[ . 1 . 2]" 1
46 1 9 LEU QB 1 13 TRP QB 3.200 . 4.500 1.921 1.770 2.056 0.130 3 0 "[ . 1 . 2]" 1
47 1 9 LEU QB 1 13 TRP HD1 2.200 . 2.800 3.605 3.355 3.808 1.008 10 20 [*********+****-*****] 1
48 1 9 LEU QB 1 13 TRP HE1 2.900 . 3.900 4.983 4.786 5.164 1.264 10 20 [*********+****-*****] 1
49 1 9 LEU MD1 1 10 PRO QD 3.400 . 4.900 4.109 3.925 4.243 . 0 0 "[ . 1 . 2]" 1
50 1 9 LEU MD1 1 13 TRP H 3.400 . 4.800 4.538 4.205 4.871 0.071 11 0 "[ . 1 . 2]" 1
51 1 9 LEU MD1 1 13 TRP HA 3.600 . 5.200 4.395 3.973 4.796 . 0 0 "[ . 1 . 2]" 1
52 1 9 LEU MD1 1 13 TRP QB 3.000 . 4.200 2.251 1.863 2.565 0.037 3 0 "[ . 1 . 2]" 1
53 1 9 LEU MD1 1 13 TRP HE3 3.000 . 4.100 4.043 3.485 4.322 0.222 14 0 "[ . 1 . 2]" 1
54 1 9 LEU MD1 1 14 GLU H 3.400 . 4.800 4.440 3.930 4.921 0.121 7 0 "[ . 1 . 2]" 1
55 1 9 LEU MD1 1 14 GLU HA 3.600 . 5.200 3.941 3.503 4.344 . 0 0 "[ . 1 . 2]" 1
56 1 9 LEU MD1 1 15 MET H 2.500 . 3.300 3.200 2.732 3.456 0.156 7 0 "[ . 1 . 2]" 1
57 1 9 LEU MD1 1 15 MET HA 3.400 . 4.800 4.059 3.410 4.557 . 0 0 "[ . 1 . 2]" 1
58 1 9 LEU MD1 1 15 MET QG 3.400 . 4.800 3.254 2.288 4.362 . 0 0 "[ . 1 . 2]" 1
59 1 9 LEU MD1 1 25 PHE HA 3.700 . 5.400 4.414 3.752 4.920 . 0 0 "[ . 1 . 2]" 1
60 1 9 LEU MD1 1 25 PHE QB 3.800 . 5.600 3.377 2.627 3.901 . 0 0 "[ . 1 . 2]" 1
61 1 9 LEU MD1 1 25 PHE QD 2.400 . 3.100 2.146 1.699 2.601 0.001 3 0 "[ . 1 . 2]" 1
62 1 9 LEU MD1 1 25 PHE QE 2.600 . 3.400 2.602 2.258 2.850 . 0 0 "[ . 1 . 2]" 1
63 1 9 LEU MD1 1 25 PHE HZ 3.100 . 4.300 4.567 4.506 4.652 0.352 3 0 "[ . 1 . 2]" 1
64 1 9 LEU MD1 1 39 ARG QD 3.400 . 4.900 4.176 3.367 4.552 . 0 0 "[ . 1 . 2]" 1
65 1 9 LEU MD2 1 10 PRO QD 2.900 . 4.000 3.229 2.964 3.379 . 0 0 "[ . 1 . 2]" 1
66 1 9 LEU MD2 1 13 TRP H 3.600 . 5.300 5.651 5.525 5.733 0.433 4 0 "[ . 1 . 2]" 1
67 1 9 LEU MD2 1 13 TRP HA 3.800 . 5.600 5.198 4.972 5.289 . 0 0 "[ . 1 . 2]" 1
68 1 9 LEU MD2 1 13 TRP QB 3.300 . 4.600 2.880 2.733 2.954 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU MD2 1 13 TRP HE3 2.800 . 3.800 3.570 3.168 4.030 0.230 19 0 "[ . 1 . 2]" 1
70 1 9 LEU MD2 1 14 GLU H 3.700 . 5.400 5.640 5.381 5.850 0.450 17 0 "[ . 1 . 2]" 1
71 1 9 LEU MD2 1 15 MET H 3.300 . 4.700 5.140 5.113 5.175 0.475 14 0 "[ . 1 . 2]" 1
72 1 9 LEU MD2 1 25 PHE HA 3.900 . 5.800 4.800 4.455 5.345 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU MD2 1 25 PHE QB 3.300 . 4.700 2.966 2.554 3.640 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU MD2 1 25 PHE QD 2.300 . 2.900 2.605 2.036 3.023 0.123 14 0 "[ . 1 . 2]" 1
75 1 9 LEU MD2 1 25 PHE QE 2.300 . 3.000 2.936 1.963 3.328 0.328 13 0 "[ . 1 . 2]" 1
76 1 9 LEU MD2 1 25 PHE HZ 2.800 . 3.800 3.981 3.764 4.134 0.334 13 0 "[ . 1 . 2]" 1
77 1 9 LEU MD2 1 39 ARG H 2.900 . 4.000 3.571 2.837 4.276 0.276 15 0 "[ . 1 . 2]" 1
78 1 9 LEU MD2 1 39 ARG QD 2.700 . 3.600 2.526 1.906 3.330 . 0 0 "[ . 1 . 2]" 1
79 1 9 LEU MD2 1 39 ARG HE 2.900 . 3.900 3.432 2.267 4.360 0.460 14 0 "[ . 1 . 2]" 1
80 1 9 LEU MD2 1 39 ARG QH 3.600 . 5.200 3.799 2.847 4.765 . 0 0 "[ . 1 . 2]" 1
81 1 9 LEU HG 1 10 PRO QD 3.600 . 5.200 4.222 3.976 4.385 . 0 0 "[ . 1 . 2]" 1
82 1 10 PRO HB2 1 13 TRP HD1 2.700 . 3.600 2.123 1.778 2.553 0.022 7 0 "[ . 1 . 2]" 1
83 1 10 PRO HB2 1 13 TRP HE1 3.400 . 4.900 3.614 2.940 4.185 . 0 0 "[ . 1 . 2]" 1
84 1 10 PRO HB3 1 13 TRP HD1 2.800 . 3.800 3.811 3.482 4.124 0.324 9 0 "[ . 1 . 2]" 1
85 1 10 PRO HB3 1 13 TRP HE1 3.600 . 5.200 4.913 4.311 5.397 0.197 13 0 "[ . 1 . 2]" 1
86 1 10 PRO QD 1 13 TRP H 3.500 . 5.000 4.239 3.848 4.505 . 0 0 "[ . 1 . 2]" 1
87 1 10 PRO QD 1 13 TRP HD1 2.600 . 3.400 2.395 1.946 2.838 . 0 0 "[ . 1 . 2]" 1
88 1 10 PRO QD 1 13 TRP HE1 3.300 . 4.700 3.585 3.231 3.950 . 0 0 "[ . 1 . 2]" 1
89 1 10 PRO HG2 1 13 TRP HD1 2.600 . 3.400 2.954 2.625 3.393 . 0 0 "[ . 1 . 2]" 1
90 1 10 PRO HG2 1 13 TRP HE1 3.100 . 4.300 3.085 2.612 3.316 . 0 0 "[ . 1 . 2]" 1
91 1 10 PRO HG3 1 13 TRP HD1 2.300 . 3.000 2.727 2.300 3.238 0.238 15 0 "[ . 1 . 2]" 1
92 1 10 PRO HG3 1 13 TRP HE1 3.300 . 4.700 4.832 4.369 5.028 0.328 11 0 "[ . 1 . 2]" 1
93 1 11 PRO HA 1 12 GLY H 2.800 . 3.800 2.665 2.127 3.547 . 0 0 "[ . 1 . 2]" 1
94 1 11 PRO HA 1 13 TRP H 3.200 . 4.500 3.676 3.569 3.902 . 0 0 "[ . 1 . 2]" 1
95 1 11 PRO HB2 1 12 GLY H 2.700 . 3.600 3.741 2.664 4.190 0.590 4 6 "[ +.- 1 * *** 2]" 1
96 1 11 PRO HB3 1 12 GLY H 3.000 . 4.100 4.038 3.569 4.551 0.451 1 0 "[ . 1 . 2]" 1
97 1 12 GLY H 1 12 GLY HA2 2.200 . 2.800 2.663 2.442 2.951 0.151 1 0 "[ . 1 . 2]" 1
98 1 12 GLY H 1 13 TRP H 2.600 . 3.400 2.419 2.095 2.696 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLY HA2 1 13 TRP H 2.800 . 3.800 3.409 3.250 3.501 . 0 0 "[ . 1 . 2]" 1
100 1 13 TRP H 1 13 TRP HA 2.800 . 3.800 2.908 2.875 2.944 . 0 0 "[ . 1 . 2]" 1
101 1 13 TRP H 1 13 TRP QB 2.500 . 3.300 2.291 2.200 2.374 . 0 0 "[ . 1 . 2]" 1
102 1 13 TRP H 1 13 TRP HD1 2.500 . 3.300 2.896 2.648 3.158 . 0 0 "[ . 1 . 2]" 1
103 1 13 TRP H 1 13 TRP HE1 3.500 . 5.100 5.247 4.961 5.586 0.486 18 0 "[ . 1 . 2]" 1
104 1 13 TRP HA 1 13 TRP HD1 2.700 . 3.600 3.597 3.365 3.780 0.180 6 0 "[ . 1 . 2]" 1
105 1 13 TRP HA 1 13 TRP HE3 2.900 . 4.000 3.319 3.069 3.559 . 0 0 "[ . 1 . 2]" 1
106 1 13 TRP HA 1 14 GLU H 2.300 . 3.000 2.132 2.105 2.175 . 0 0 "[ . 1 . 2]" 1
107 1 13 TRP HA 1 14 GLU QB 3.900 . 5.600 3.985 3.914 4.082 . 0 0 "[ . 1 . 2]" 1
108 1 13 TRP HA 1 26 ILE MD 4.100 . 6.000 5.141 4.935 5.276 . 0 0 "[ . 1 . 2]" 1
109 1 13 TRP HA 1 27 ASP HA 2.600 . 3.400 2.264 2.154 2.401 . 0 0 "[ . 1 . 2]" 1
110 1 13 TRP HA 1 27 ASP HB3 3.800 . 5.600 4.974 4.712 5.205 . 0 0 "[ . 1 . 2]" 1
111 1 13 TRP HA 1 28 HIS H 2.700 . 3.600 3.219 2.989 3.473 . 0 0 "[ . 1 . 2]" 1
112 1 13 TRP QB 1 13 TRP HD1 2.500 . 3.300 2.625 2.571 2.677 . 0 0 "[ . 1 . 2]" 1
113 1 13 TRP QB 1 13 TRP HE1 3.400 . 4.900 4.434 4.417 4.454 . 0 0 "[ . 1 . 2]" 1
114 1 13 TRP QB 1 13 TRP HE3 2.700 . 3.400 2.533 2.470 2.598 . 0 0 "[ . 1 . 2]" 1
115 1 13 TRP QB 1 14 GLU H 3.100 . 3.800 3.323 3.035 3.703 . 0 0 "[ . 1 . 2]" 1
116 1 13 TRP QB 1 27 ASP HA 3.600 . 5.200 4.122 3.996 4.238 . 0 0 "[ . 1 . 2]" 1
117 1 13 TRP HD1 1 29 ASN HD21 2.800 . 3.800 4.053 3.731 4.161 0.361 18 0 "[ . 1 . 2]" 1
118 1 13 TRP HD1 1 29 ASN HD22 2.800 . 3.800 3.718 2.800 4.119 0.319 20 0 "[ . 1 . 2]" 1
119 1 13 TRP HE1 1 27 ASP HB2 3.600 . 5.200 3.980 3.672 4.310 . 0 0 "[ . 1 . 2]" 1
120 1 13 TRP HE1 1 27 ASP HB3 3.700 . 5.400 5.512 5.170 5.706 0.306 20 0 "[ . 1 . 2]" 1
121 1 13 TRP HE1 1 29 ASN HD21 2.900 . 4.000 3.817 3.415 4.068 0.068 19 0 "[ . 1 . 2]" 1
122 1 13 TRP HE1 1 29 ASN HD22 3.100 . 4.300 4.383 3.322 4.754 0.454 8 0 "[ . 1 . 2]" 1
123 1 13 TRP HE1 1 38 PRO QB 3.500 . 5.100 4.808 4.208 5.428 0.328 13 0 "[ . 1 . 2]" 1
124 1 13 TRP HE3 1 14 GLU H 3.100 . 4.300 3.837 3.407 4.405 0.105 5 0 "[ . 1 . 2]" 1
125 1 13 TRP HE3 1 25 PHE HA 3.200 . 4.500 3.804 3.576 3.970 . 0 0 "[ . 1 . 2]" 1
126 1 13 TRP HE3 1 25 PHE QB 2.200 . 2.800 1.861 1.661 2.080 . 0 0 "[ . 1 . 2]" 1
127 1 13 TRP HE3 1 26 ILE H 3.200 . 4.500 4.112 3.976 4.268 . 0 0 "[ . 1 . 2]" 1
128 1 13 TRP HE3 1 27 ASP HA 3.600 . 5.300 3.795 3.554 4.061 . 0 0 "[ . 1 . 2]" 1
129 1 13 TRP HE3 1 27 ASP HB2 3.200 . 4.400 3.740 3.468 4.145 . 0 0 "[ . 1 . 2]" 1
130 1 13 TRP HE3 1 34 THR MG 2.700 . 3.600 3.807 3.724 3.873 0.273 18 0 "[ . 1 . 2]" 1
131 1 13 TRP HE3 1 38 PRO HG2 3.300 . 4.600 4.794 4.038 5.030 0.430 7 0 "[ . 1 . 2]" 1
132 1 13 TRP HE3 1 38 PRO HG3 3.200 . 4.500 3.689 2.856 4.411 . 0 0 "[ . 1 . 2]" 1
133 1 13 TRP HH2 1 25 PHE QB 3.100 . 4.300 4.521 4.383 4.701 0.401 16 0 "[ . 1 . 2]" 1
134 1 13 TRP HH2 1 27 ASP HB3 3.300 . 4.700 3.882 3.433 4.231 . 0 0 "[ . 1 . 2]" 1
135 1 13 TRP HH2 1 34 THR MG 2.300 . 3.000 2.731 2.386 3.058 0.058 4 0 "[ . 1 . 2]" 1
136 1 13 TRP HH2 1 38 PRO QB 3.100 . 4.300 3.740 3.114 4.479 0.179 3 0 "[ . 1 . 2]" 1
137 1 13 TRP HZ2 1 27 ASP HA 3.500 . 5.100 5.457 5.393 5.490 0.390 12 0 "[ . 1 . 2]" 1
138 1 13 TRP HZ2 1 27 ASP HB2 2.800 . 3.800 3.348 3.280 3.459 . 0 0 "[ . 1 . 2]" 1
139 1 13 TRP HZ2 1 27 ASP HB3 3.000 . 4.100 4.320 3.966 4.508 0.408 20 0 "[ . 1 . 2]" 1
140 1 13 TRP HZ2 1 32 THR MG 2.600 . 3.400 3.755 2.506 3.933 0.533 15 2 "[ . 1 + -]" 1
141 1 13 TRP HZ2 1 34 THR MG 2.800 . 3.800 4.757 4.455 4.991 1.191 4 20 [***+*-**************] 1
142 1 13 TRP HZ2 1 38 PRO QB 3.000 . 4.100 3.819 3.232 4.223 0.123 17 0 "[ . 1 . 2]" 1
143 1 13 TRP HZ3 1 25 PHE HA 3.400 . 4.800 4.830 4.650 4.980 0.180 16 0 "[ . 1 . 2]" 1
144 1 13 TRP HZ3 1 25 PHE QB 2.400 . 3.100 2.431 2.237 2.616 . 0 0 "[ . 1 . 2]" 1
145 1 13 TRP HZ3 1 26 ILE H 3.400 . 4.800 5.130 4.937 5.249 0.449 7 0 "[ . 1 . 2]" 1
146 1 13 TRP HZ3 1 34 THR HB 3.100 . 4.300 3.972 3.320 4.460 0.160 14 0 "[ . 1 . 2]" 1
147 1 13 TRP HZ3 1 34 THR MG 2.200 . 2.800 1.971 1.796 2.153 . 0 0 "[ . 1 . 2]" 1
148 1 14 GLU H 1 14 GLU HA 2.900 . 4.000 2.940 2.900 2.950 . 0 0 "[ . 1 . 2]" 1
149 1 14 GLU H 1 14 GLU QB 2.700 . 3.600 2.420 2.206 2.554 . 0 0 "[ . 1 . 2]" 1
150 1 14 GLU H 1 14 GLU QG 3.500 . 5.100 4.039 3.762 4.118 . 0 0 "[ . 1 . 2]" 1
151 1 14 GLU H 1 26 ILE H 2.800 . 3.800 3.248 3.051 3.466 . 0 0 "[ . 1 . 2]" 1
152 1 14 GLU H 1 26 ILE HB 3.000 . 4.100 5.151 4.944 5.336 1.236 18 20 [*****************+*-] 1
153 1 14 GLU H 1 26 ILE MD 3.300 . 4.700 4.383 4.217 4.610 . 0 0 "[ . 1 . 2]" 1
154 1 14 GLU H 1 26 ILE MG 3.600 . 5.200 2.884 2.614 3.170 . 0 0 "[ . 1 . 2]" 1
155 1 14 GLU H 1 27 ASP HA 3.200 . 4.500 3.298 3.123 3.442 . 0 0 "[ . 1 . 2]" 1
156 1 14 GLU H 1 28 HIS HD2 3.000 . 4.100 3.462 3.020 3.902 . 0 0 "[ . 1 . 2]" 1
157 1 14 GLU HA 1 15 MET H 2.300 . 2.900 2.173 2.136 2.212 . 0 0 "[ . 1 . 2]" 1
158 1 14 GLU QB 1 15 MET H 2.500 . 3.300 3.880 3.787 3.965 0.665 18 19 [**************.**+-*] 1
159 1 14 GLU QB 1 15 MET H 2.400 . 3.100 2.575 2.086 2.763 . 0 0 "[ . 1 . 2]" 1
160 1 14 GLU QB 1 26 ILE H 3.300 . 4.600 3.408 3.191 3.593 . 0 0 "[ . 1 . 2]" 1
161 1 14 GLU QB 1 26 ILE MD 3.200 . 4.500 3.747 3.555 3.923 . 0 0 "[ . 1 . 2]" 1
162 1 14 GLU QB 1 26 ILE MG 2.900 . 4.000 1.917 1.765 2.113 0.135 13 0 "[ . 1 . 2]" 1
163 1 14 GLU QB 1 28 HIS HD2 2.300 . 3.000 2.079 1.838 2.299 . 0 0 "[ . 1 . 2]" 1
164 1 14 GLU QB 1 28 HIS HE1 3.300 . 4.600 4.349 4.057 4.564 . 0 0 "[ . 1 . 2]" 1
165 1 14 GLU QG 1 15 MET H 2.900 . 3.900 3.339 2.903 3.549 . 0 0 "[ . 1 . 2]" 1
166 1 14 GLU QG 1 26 ILE HB 3.700 . 5.400 5.827 4.369 6.060 0.660 12 13 "[-**** ***1*+ ** *]" 1
167 1 14 GLU QG 1 26 ILE MG 3.800 . 5.600 3.399 2.197 3.635 . 0 0 "[ . 1 . 2]" 1
168 1 14 GLU QG 1 28 HIS HD2 2.800 . 3.800 3.991 3.815 4.092 0.292 16 0 "[ . 1 . 2]" 1
169 1 15 MET H 1 15 MET HA 3.000 . 4.200 2.882 2.836 2.927 . 0 0 "[ . 1 . 2]" 1
170 1 15 MET H 1 15 MET QB 2.700 . 3.600 2.617 2.094 2.819 . 0 0 "[ . 1 . 2]" 1
171 1 15 MET H 1 15 MET QG 2.900 . 4.000 2.598 2.027 3.610 . 0 0 "[ . 1 . 2]" 1
172 1 15 MET HA 1 16 ARG H 2.500 . 3.300 2.114 2.080 2.167 . 0 0 "[ . 1 . 2]" 1
173 1 15 MET HA 1 25 PHE HA 2.800 . 3.800 2.114 1.973 2.231 . 0 0 "[ . 1 . 2]" 1
174 1 15 MET HA 1 25 PHE QB 3.800 . 5.600 3.675 3.482 3.900 . 0 0 "[ . 1 . 2]" 1
175 1 15 MET HA 1 25 PHE QD 3.100 . 4.300 2.882 2.335 3.771 . 0 0 "[ . 1 . 2]" 1
176 1 15 MET HA 1 26 ILE H 3.400 . 4.800 3.313 3.061 3.524 . 0 0 "[ . 1 . 2]" 1
177 1 15 MET QB 1 16 ARG H 2.900 . 3.900 3.274 2.999 3.659 . 0 0 "[ . 1 . 2]" 1
178 1 15 MET QB 1 17 ILE MD 2.700 . 3.600 3.613 3.019 3.894 0.294 8 0 "[ . 1 . 2]" 1
179 1 15 MET QB 1 17 ILE MG 3.300 . 4.700 5.759 5.382 5.838 1.138 10 20 [*********+*******-**] 1
180 1 15 MET QB 1 25 PHE HA 3.500 . 5.000 3.490 3.155 3.729 . 0 0 "[ . 1 . 2]" 1
181 1 15 MET QB 1 25 PHE QE 2.500 . 3.300 2.322 2.028 2.647 . 0 0 "[ . 1 . 2]" 1
182 1 15 MET QB 1 25 PHE HZ 2.800 . 3.800 4.020 3.116 4.407 0.607 2 2 "[ +- . 1 . 2]" 1
183 1 15 MET QG 1 16 ARG H 2.600 . 3.400 4.122 3.139 4.438 1.038 18 17 "[* -********* *.**+**]" 1
184 1 15 MET QG 1 17 ILE MD 3.500 . 5.100 3.675 2.035 4.394 . 0 0 "[ . 1 . 2]" 1
185 1 15 MET QG 1 24 PHE H 2.900 . 4.000 5.908 4.232 6.122 2.122 18 19 "[* ************-**+**]" 1
186 1 15 MET QG 1 25 PHE HA 3.500 . 5.100 5.072 4.646 5.381 0.281 11 0 "[ . 1 . 2]" 1
187 1 15 MET QG 1 25 PHE QE 2.600 . 3.400 3.533 3.505 3.554 0.154 11 0 "[ . 1 . 2]" 1
188 1 16 ARG H 1 16 ARG HA 2.800 . 3.800 2.940 2.907 2.953 . 0 0 "[ . 1 . 2]" 1
189 1 16 ARG H 1 16 ARG HB2 2.700 . 3.600 2.546 2.310 2.684 . 0 0 "[ . 1 . 2]" 1
190 1 16 ARG H 1 16 ARG HB3 2.700 . 3.600 3.648 3.392 3.799 0.199 13 0 "[ . 1 . 2]" 1
191 1 16 ARG H 1 16 ARG QG 3.100 . 4.300 3.463 2.812 3.988 . 0 0 "[ . 1 . 2]" 1
192 1 16 ARG H 1 24 PHE H 2.700 . 3.600 3.125 2.882 3.435 . 0 0 "[ . 1 . 2]" 1
193 1 16 ARG H 1 25 PHE HA 3.200 . 4.500 3.267 3.116 3.546 . 0 0 "[ . 1 . 2]" 1
194 1 16 ARG HA 1 17 ILE H 2.000 . 2.500 2.249 2.164 2.377 . 0 0 "[ . 1 . 2]" 1
195 1 16 ARG HB2 1 17 ILE H 2.800 . 3.800 4.171 3.742 4.434 0.634 4 4 "[ * +- * . 2]" 1
196 1 16 ARG HB2 1 24 PHE H 3.400 . 4.900 4.279 3.891 4.625 . 0 0 "[ . 1 . 2]" 1
197 1 16 ARG HB2 1 24 PHE QD 3.200 . 4.500 3.875 3.552 4.212 . 0 0 "[ . 1 . 2]" 1
198 1 16 ARG HB2 1 24 PHE QE 2.900 . 4.000 3.162 2.853 3.479 . 0 0 "[ . 1 . 2]" 1
199 1 16 ARG HB2 1 24 PHE HZ 2.900 . 4.000 3.160 2.757 3.422 . 0 0 "[ . 1 . 2]" 1
200 1 16 ARG HB3 1 16 ARG HE 2.900 . 4.000 3.678 1.900 4.912 0.912 7 5 "[ - *. + 1 . ** 2]" 1
201 1 16 ARG HB3 1 17 ILE H 2.300 . 3.000 3.065 2.687 3.483 0.483 4 0 "[ . 1 . 2]" 1
202 1 16 ARG HB3 1 24 PHE H 3.500 . 5.000 4.767 4.307 5.144 0.144 14 0 "[ . 1 . 2]" 1
203 1 16 ARG HB3 1 24 PHE QD 2.900 . 3.900 2.855 2.778 2.913 . 0 0 "[ . 1 . 2]" 1
204 1 16 ARG HB3 1 24 PHE QE 2.700 . 3.600 3.090 2.589 3.538 . 0 0 "[ . 1 . 2]" 1
205 1 16 ARG HB3 1 24 PHE HZ 2.600 . 3.400 3.491 2.941 4.000 0.600 15 2 "[ . 1 - + 2]" 1
206 1 16 ARG QD 1 17 ILE H 3.100 . 4.300 5.219 4.515 5.589 1.289 13 18 "[******* ***-+ ******]" 1
207 1 16 ARG QD 1 24 PHE QE 3.300 . 4.600 3.505 2.777 4.428 . 0 0 "[ . 1 . 2]" 1
208 1 16 ARG QD 1 26 ILE MG 3.200 . 4.000 2.478 2.021 3.153 . 0 0 "[ . 1 . 2]" 1
209 1 16 ARG HE 1 16 ARG QG 3.000 . 4.100 2.638 2.193 3.068 . 0 0 "[ . 1 . 2]" 1
210 1 16 ARG HE 1 26 ILE MG 3.100 . 4.300 3.696 2.378 4.648 0.348 19 0 "[ . 1 . 2]" 1
211 1 16 ARG QG 1 17 ILE H 2.900 . 4.000 3.739 2.909 4.142 0.142 12 0 "[ . 1 . 2]" 1
212 1 16 ARG QG 1 24 PHE QD 2.700 . 3.600 2.541 2.297 2.919 . 0 0 "[ . 1 . 2]" 1
213 1 16 ARG QG 1 24 PHE QE 3.200 . 4.500 4.327 3.798 4.625 0.125 19 0 "[ . 1 . 2]" 1
214 1 17 ILE H 1 17 ILE HA 2.000 . 2.500 2.921 2.884 2.945 0.445 14 0 "[ . 1 . 2]" 1
215 1 17 ILE H 1 17 ILE HB 2.300 . 3.000 2.935 2.788 3.055 0.055 2 0 "[ . 1 . 2]" 1
216 1 17 ILE H 1 17 ILE MD 2.900 . 4.000 3.026 2.864 3.252 . 0 0 "[ . 1 . 2]" 1
217 1 17 ILE H 1 17 ILE HG12 2.600 . 3.400 1.881 1.765 2.060 0.035 2 0 "[ . 1 . 2]" 1
218 1 17 ILE H 1 17 ILE HG13 2.700 . 3.600 3.482 3.368 3.635 0.035 9 0 "[ . 1 . 2]" 1
219 1 17 ILE H 1 17 ILE MG 2.500 . 3.300 3.811 3.773 3.875 0.575 8 11 "[* * . *+*1** *- * *]" 1
220 1 17 ILE HA 1 18 ALA H 2.300 . 3.000 2.123 2.100 2.166 . 0 0 "[ . 1 . 2]" 1
221 1 17 ILE HA 1 23 PRO HA 2.300 . 3.000 2.037 1.734 2.353 . 0 0 "[ . 1 . 2]" 1
222 1 17 ILE HA 1 24 PHE H 2.800 . 3.800 3.042 2.833 3.173 . 0 0 "[ . 1 . 2]" 1
223 1 17 ILE HB 1 18 ALA H 2.900 . 4.000 4.068 3.843 4.233 0.233 18 0 "[ . 1 . 2]" 1
224 1 17 ILE HB 1 23 PRO HA 3.200 . 4.500 4.748 4.516 4.974 0.474 14 0 "[ . 1 . 2]" 1
225 1 17 ILE HB 1 23 PRO QD 3.200 . 4.500 5.774 5.740 5.809 1.309 14 20 [*-***********+******] 1
226 1 17 ILE HB 1 23 PRO QG 3.300 . 4.700 5.164 4.811 5.426 0.726 8 10 "[* . -+*1 * *.** **]" 1
227 1 17 ILE HB 1 24 PHE H 3.300 . 4.700 5.947 5.770 6.063 1.363 17 20 [*********-******+***] 1
228 1 17 ILE MD 1 18 ALA H 2.800 . 3.800 4.329 4.009 4.594 0.794 2 14 "[-+* **** 1* * * ****]" 1
229 1 17 ILE MD 1 23 PRO HA 2.500 . 3.300 2.491 2.237 2.785 . 0 0 "[ . 1 . 2]" 1
230 1 17 ILE MD 1 23 PRO HB2 3.200 . 4.400 3.746 3.410 4.125 . 0 0 "[ . 1 . 2]" 1
231 1 17 ILE MD 1 23 PRO QD 3.700 . 5.400 3.683 3.365 4.001 . 0 0 "[ . 1 . 2]" 1
232 1 17 ILE MD 1 23 PRO QG 3.500 . 5.000 2.199 1.952 2.573 0.048 18 0 "[ . 1 . 2]" 1
233 1 17 ILE MD 1 24 PHE H 2.800 . 3.800 3.930 3.689 4.120 0.320 15 0 "[ . 1 . 2]" 1
234 1 17 ILE HG12 1 18 ALA H 3.300 . 4.700 5.174 5.073 5.272 0.572 9 2 "[ . +1 .- 2]" 1
235 1 17 ILE HG12 1 23 PRO HA 3.400 . 4.800 4.488 4.314 4.638 . 0 0 "[ . 1 . 2]" 1
236 1 17 ILE HG13 1 18 ALA H 3.600 . 5.300 5.772 5.634 5.863 0.563 18 8 "[** -.** 1 * . *+ 2]" 1
237 1 17 ILE HG13 1 23 PRO HA 3.400 . 4.900 5.028 4.911 5.194 0.294 8 0 "[ . 1 . 2]" 1
238 1 17 ILE MG 1 18 ALA H 2.400 . 3.100 2.982 2.679 3.247 0.147 1 0 "[ . 1 . 2]" 1
239 1 17 ILE MG 1 20 ASN H 3.400 . 4.900 5.220 5.102 5.310 0.410 2 0 "[ . 1 . 2]" 1
240 1 17 ILE MG 1 21 GLY H 2.400 . 3.100 3.805 3.546 4.045 0.945 13 17 "[ ******* ** +*****-*]" 1
241 1 17 ILE MG 1 21 GLY HA2 3.000 . 4.100 3.304 2.697 3.738 . 0 0 "[ . 1 . 2]" 1
242 1 17 ILE MG 1 22 ARG H 2.800 . 3.800 3.753 3.329 4.077 0.277 10 0 "[ . 1 . 2]" 1
243 1 17 ILE MG 1 23 PRO HA 2.800 . 3.800 2.776 2.285 3.201 . 0 0 "[ . 1 . 2]" 1
244 1 17 ILE MG 1 24 PHE H 3.200 . 4.400 4.408 4.030 4.675 0.275 18 0 "[ . 1 . 2]" 1
245 1 18 ALA H 1 18 ALA MB 2.200 . 2.800 2.175 2.064 2.269 . 0 0 "[ . 1 . 2]" 1
246 1 18 ALA H 1 22 ARG H 3.200 . 4.500 3.841 3.216 4.102 . 0 0 "[ . 1 . 2]" 1
247 1 18 ALA H 1 23 PRO HA 2.800 . 3.800 3.268 2.817 3.650 . 0 0 "[ . 1 . 2]" 1
248 1 18 ALA H 1 24 PHE QD 2.800 . 3.800 2.656 2.330 3.090 . 0 0 "[ . 1 . 2]" 1
249 1 18 ALA H 1 24 PHE QE 3.100 . 4.300 3.808 3.253 4.502 0.202 15 0 "[ . 1 . 2]" 1
250 1 18 ALA MB 1 20 ASN H 2.400 . 3.100 2.498 2.210 2.788 . 0 0 "[ . 1 . 2]" 1
251 1 18 ALA MB 1 21 GLY H 2.800 . 3.800 3.573 3.337 3.834 0.034 7 0 "[ . 1 . 2]" 1
252 1 18 ALA MB 1 22 ARG H 2.400 . 3.100 3.259 2.884 3.430 0.330 14 0 "[ . 1 . 2]" 1
253 1 18 ALA MB 1 24 PHE H 2.900 . 4.000 4.090 3.726 4.326 0.326 3 0 "[ . 1 . 2]" 1
254 1 18 ALA MB 1 24 PHE QD 2.400 . 3.100 2.093 1.813 2.392 . 0 0 "[ . 1 . 2]" 1
255 1 18 ALA MB 1 24 PHE QE 2.600 . 3.400 2.655 2.084 3.440 0.040 15 0 "[ . 1 . 2]" 1
256 1 18 ALA MB 1 35 TRP HE3 2.900 . 4.000 3.815 3.384 4.313 0.313 2 0 "[ . 1 . 2]" 1
257 1 18 ALA MB 1 35 TRP HH2 2.300 . 3.000 2.889 2.676 3.114 0.114 9 0 "[ . 1 . 2]" 1
258 1 18 ALA MB 1 35 TRP HZ2 2.800 . 3.800 4.843 4.627 5.061 1.261 9 20 [********+*******-***] 1
259 1 18 ALA MB 1 35 TRP HZ3 2.400 . 3.100 1.968 1.717 2.323 . 0 0 "[ . 1 . 2]" 1
260 1 19 PRO HA 1 20 ASN H 3.000 . 4.100 3.386 3.258 3.474 . 0 0 "[ . 1 . 2]" 1
261 1 19 PRO HA 1 21 GLY H 2.800 . 3.800 3.533 3.283 3.830 0.030 10 0 "[ . 1 . 2]" 1
262 1 19 PRO QB 1 20 ASN H 3.200 . 4.500 3.353 2.965 3.756 . 0 0 "[ . 1 . 2]" 1
263 1 19 PRO HD2 1 20 ASN H 3.500 . 5.000 3.056 2.852 3.339 . 0 0 "[ . 1 . 2]" 1
264 1 19 PRO HD3 1 20 ASN H 3.300 . 4.700 4.031 3.879 4.250 . 0 0 "[ . 1 . 2]" 1
265 1 20 ASN H 1 20 ASN HB2 2.900 . 3.900 2.882 2.060 3.322 . 0 0 "[ . 1 . 2]" 1
266 1 20 ASN H 1 20 ASN HB3 2.800 . 3.700 3.467 3.215 3.627 . 0 0 "[ . 1 . 2]" 1
267 1 20 ASN H 1 20 ASN QD 3.700 . 5.000 3.659 2.936 4.512 . 0 0 "[ . 1 . 2]" 1
268 1 20 ASN H 1 21 GLY H 2.400 . 3.100 2.389 2.141 2.607 . 0 0 "[ . 1 . 2]" 1
269 1 20 ASN H 1 22 ARG H 3.000 . 4.100 3.520 3.139 3.844 . 0 0 "[ . 1 . 2]" 1
270 1 20 ASN HB2 1 20 ASN QD 2.700 . 3.600 2.848 2.118 3.266 . 0 0 "[ . 1 . 2]" 1
271 1 20 ASN HB3 1 20 ASN QD 2.700 . 3.600 2.304 2.092 3.013 . 0 0 "[ . 1 . 2]" 1
272 1 20 ASN HB3 1 21 GLY H 3.400 . 4.900 4.161 3.296 4.559 . 0 0 "[ . 1 . 2]" 1
273 1 20 ASN QD 1 35 TRP HH2 3.300 . 4.700 3.251 2.688 3.945 . 0 0 "[ . 1 . 2]" 1
274 1 20 ASN QD 1 35 TRP HZ2 3.200 . 4.500 4.477 3.500 4.703 0.203 13 0 "[ . 1 . 2]" 1
275 1 20 ASN QD 1 35 TRP HZ3 3.700 . 5.400 4.165 3.408 4.808 . 0 0 "[ . 1 . 2]" 1
276 1 21 GLY H 1 21 GLY HA2 2.600 . 3.400 2.389 2.326 2.494 . 0 0 "[ . 1 . 2]" 1
277 1 21 GLY H 1 22 ARG H 2.400 . 3.100 2.183 2.035 2.372 . 0 0 "[ . 1 . 2]" 1
278 1 21 GLY H 1 22 ARG QB 3.200 . 4.500 4.838 4.486 4.999 0.499 11 0 "[ . 1 . 2]" 1
279 1 21 GLY HA2 1 22 ARG H 2.800 . 3.800 3.193 3.056 3.313 . 0 0 "[ . 1 . 2]" 1
280 1 22 ARG H 1 22 ARG QB 2.400 . 3.100 2.936 2.672 3.095 . 0 0 "[ . 1 . 2]" 1
281 1 22 ARG H 1 22 ARG HD2 3.500 . 5.000 4.242 3.061 4.766 . 0 0 "[ . 1 . 2]" 1
282 1 22 ARG H 1 22 ARG HD3 3.600 . 5.200 4.181 3.034 4.658 . 0 0 "[ . 1 . 2]" 1
283 1 22 ARG H 1 22 ARG HG2 2.800 . 3.800 1.974 1.663 2.393 0.137 3 0 "[ . 1 . 2]" 1
284 1 22 ARG H 1 22 ARG HG3 2.500 . 3.300 3.206 2.695 3.902 0.602 19 1 "[ . 1 . +2]" 1
285 1 22 ARG H 1 23 PRO QD 3.600 . 4.000 4.011 3.849 4.141 0.141 17 0 "[ . 1 . 2]" 1
286 1 22 ARG QB 1 35 TRP HE3 2.600 . 3.500 2.070 1.808 2.389 . 0 0 "[ . 1 . 2]" 1
287 1 22 ARG QB 1 35 TRP HH2 3.200 . 4.500 4.834 4.218 5.691 1.191 5 7 "[ * +* *** . -]" 1
288 1 22 ARG QB 1 35 TRP HZ3 2.600 . 3.500 2.888 2.140 3.734 0.234 5 0 "[ . 1 . 2]" 1
289 1 22 ARG HD2 1 22 ARG HE 2.900 . 4.000 2.699 2.293 2.956 . 0 0 "[ . 1 . 2]" 1
290 1 22 ARG HG2 1 35 TRP HH2 3.700 . 5.400 5.711 4.951 5.891 0.491 5 0 "[ . 1 . 2]" 1
291 1 22 ARG HG2 1 35 TRP HZ3 3.300 . 4.700 4.212 3.473 4.773 0.073 15 0 "[ . 1 . 2]" 1
292 1 22 ARG HG3 1 35 TRP HE3 2.800 . 3.800 3.482 2.320 3.953 0.153 1 0 "[ . 1 . 2]" 1
293 1 22 ARG HG3 1 35 TRP HH2 3.200 . 4.500 4.644 4.095 5.202 0.702 19 1 "[ . 1 . +2]" 1
294 1 22 ARG HG3 1 35 TRP HZ3 2.600 . 3.500 3.402 2.554 4.018 0.518 19 1 "[ . 1 . +2]" 1
295 1 23 PRO HA 1 24 PHE H 2.300 . 3.000 2.162 2.139 2.185 . 0 0 "[ . 1 . 2]" 1
296 1 23 PRO HA 1 24 PHE HB2 3.400 . 4.900 2.933 2.378 3.134 . 0 0 "[ . 1 . 2]" 1
297 1 23 PRO HB2 1 24 PHE H 2.800 . 3.800 4.037 3.953 4.118 0.318 4 0 "[ . 1 . 2]" 1
298 1 23 PRO HB2 1 25 PHE QE 2.800 . 3.700 3.500 2.387 3.977 0.277 8 0 "[ . 1 . 2]" 1
299 1 23 PRO HB2 1 25 PHE HZ 2.700 . 3.600 3.406 3.064 3.851 0.251 19 0 "[ . 1 . 2]" 1
300 1 23 PRO HB3 1 24 PHE H 2.600 . 3.400 3.779 3.642 3.912 0.512 4 1 "[ +. 1 . 2]" 1
301 1 23 PRO HB3 1 25 PHE QE 2.800 . 3.800 4.126 3.849 4.216 0.416 14 0 "[ . 1 . 2]" 1
302 1 23 PRO HB3 1 25 PHE HZ 2.900 . 3.900 4.337 4.254 4.377 0.477 2 0 "[ . 1 . 2]" 1
303 1 23 PRO QG 1 25 PHE QE 2.500 . 3.300 2.421 2.079 2.733 . 0 0 "[ . 1 . 2]" 1
304 1 23 PRO QG 1 25 PHE HZ 2.600 . 3.400 2.674 2.528 2.853 . 0 0 "[ . 1 . 2]" 1
305 1 24 PHE H 1 24 PHE HA 2.700 . 3.600 2.935 2.928 2.942 . 0 0 "[ . 1 . 2]" 1
306 1 24 PHE H 1 24 PHE HB2 2.600 . 3.500 3.814 3.773 3.848 0.348 8 0 "[ . 1 . 2]" 1
307 1 24 PHE H 1 24 PHE HB3 2.700 . 3.600 2.855 2.731 2.932 . 0 0 "[ . 1 . 2]" 1
308 1 24 PHE H 1 24 PHE QD 2.500 . 3.300 2.705 2.559 2.881 . 0 0 "[ . 1 . 2]" 1
309 1 24 PHE H 1 24 PHE QE 3.100 . 4.300 4.403 4.302 4.495 0.195 20 0 "[ . 1 . 2]" 1
310 1 24 PHE H 1 25 PHE QD 2.400 . 3.100 2.480 2.033 2.795 . 0 0 "[ . 1 . 2]" 1
311 1 24 PHE H 1 25 PHE QE 3.100 . 4.300 5.485 5.036 5.777 1.477 4 20 [***+**************-*] 1
312 1 24 PHE H 1 35 TRP HE3 3.200 . 4.500 4.280 3.874 4.511 0.011 11 0 "[ . 1 . 2]" 1
313 1 24 PHE HA 1 25 PHE H 2.900 . 4.000 2.162 2.081 2.248 . 0 0 "[ . 1 . 2]" 1
314 1 24 PHE HB2 1 24 PHE QD 2.500 . 3.300 2.421 2.387 2.481 . 0 0 "[ . 1 . 2]" 1
315 1 24 PHE HB2 1 24 PHE QE 3.400 . 4.900 4.404 4.394 4.419 . 0 0 "[ . 1 . 2]" 1
316 1 24 PHE HB2 1 25 PHE H 2.600 . 3.500 3.000 2.783 3.231 . 0 0 "[ . 1 . 2]" 1
317 1 24 PHE HB2 1 35 TRP HE3 2.900 . 3.900 3.498 3.304 3.645 . 0 0 "[ . 1 . 2]" 1
318 1 24 PHE HB2 1 35 TRP HZ3 3.000 . 4.100 4.347 4.308 4.388 0.288 2 0 "[ . 1 . 2]" 1
319 1 24 PHE HB3 1 24 PHE QD 2.500 . 3.300 2.354 2.307 2.379 . 0 0 "[ . 1 . 2]" 1
320 1 24 PHE HB3 1 35 TRP HA 3.700 . 5.400 3.360 2.927 3.617 . 0 0 "[ . 1 . 2]" 1
321 1 24 PHE HB3 1 35 TRP HE3 2.900 . 3.900 2.287 2.140 2.372 . 0 0 "[ . 1 . 2]" 1
322 1 24 PHE HB3 1 35 TRP HZ3 3.000 . 4.100 2.828 2.714 2.899 . 0 0 "[ . 1 . 2]" 1
323 1 24 PHE QD 1 26 ILE MD 3.400 . 4.800 5.393 5.330 5.444 0.644 13 20 [************+-******] 1
324 1 24 PHE QD 1 26 ILE QG 2.900 . 4.000 4.086 4.003 4.137 0.137 5 0 "[ . 1 . 2]" 1
325 1 24 PHE QD 1 26 ILE MG 2.900 . 3.900 4.157 4.090 4.203 0.303 7 0 "[ . 1 . 2]" 1
326 1 24 PHE QD 1 33 THR HB 2.800 . 3.800 3.970 3.786 4.155 0.355 18 0 "[ . 1 . 2]" 1
327 1 24 PHE QD 1 33 THR MG 2.400 . 3.100 2.116 1.760 2.479 . 0 0 "[ . 1 . 2]" 1
328 1 24 PHE QD 1 35 TRP HA 3.200 . 4.500 4.753 4.314 4.865 0.365 3 0 "[ . 1 . 2]" 1
329 1 24 PHE QD 1 35 TRP HE3 3.000 . 4.100 3.929 3.853 4.008 . 0 0 "[ . 1 . 2]" 1
330 1 24 PHE QD 1 35 TRP HH2 3.000 . 4.100 4.344 3.763 4.529 0.429 11 0 "[ . 1 . 2]" 1
331 1 24 PHE QD 1 35 TRP HZ3 2.800 . 3.800 2.967 2.609 3.167 . 0 0 "[ . 1 . 2]" 1
332 1 24 PHE QE 1 26 ILE HB 2.700 . 3.600 2.175 1.949 2.339 . 0 0 "[ . 1 . 2]" 1
333 1 24 PHE QE 1 26 ILE MD 3.200 . 4.500 4.458 4.350 4.566 0.066 20 0 "[ . 1 . 2]" 1
334 1 24 PHE QE 1 26 ILE QG 2.900 . 3.800 3.107 3.024 3.202 . 0 0 "[ . 1 . 2]" 1
335 1 24 PHE QE 1 26 ILE MG 2.500 . 3.300 3.197 2.976 3.356 0.056 2 0 "[ . 1 . 2]" 1
336 1 24 PHE QE 1 33 THR HB 3.200 . 4.400 4.751 4.719 4.801 0.401 13 0 "[ . 1 . 2]" 1
337 1 24 PHE QE 1 33 THR MG 2.400 . 3.100 2.335 2.246 2.455 . 0 0 "[ . 1 . 2]" 1
338 1 24 PHE QE 1 35 TRP HE3 3.300 . 4.700 6.060 6.014 6.104 1.404 12 20 [*******-***+********] 1
339 1 24 PHE HZ 1 33 THR MG 3.000 . 4.100 4.068 3.911 4.299 0.199 19 0 "[ . 1 . 2]" 1
340 1 25 PHE H 1 25 PHE QB 2.600 . 3.400 2.594 2.479 2.683 . 0 0 "[ . 1 . 2]" 1
341 1 25 PHE H 1 33 THR MG 3.300 . 4.600 4.821 4.357 5.029 0.429 9 0 "[ . 1 . 2]" 1
342 1 25 PHE H 1 34 THR H 3.100 . 4.300 3.440 3.252 3.751 . 0 0 "[ . 1 . 2]" 1
343 1 25 PHE H 1 34 THR MG 2.900 . 4.000 3.005 2.693 3.355 . 0 0 "[ . 1 . 2]" 1
344 1 25 PHE H 1 35 TRP HA 3.000 . 4.100 3.061 2.751 3.365 . 0 0 "[ . 1 . 2]" 1
345 1 25 PHE HA 1 25 PHE QD 2.600 . 3.500 2.920 2.750 3.204 . 0 0 "[ . 1 . 2]" 1
346 1 25 PHE HA 1 25 PHE QE 3.500 . 5.000 4.735 4.643 4.818 . 0 0 "[ . 1 . 2]" 1
347 1 25 PHE HA 1 26 ILE H 2.400 . 3.100 2.064 2.040 2.087 . 0 0 "[ . 1 . 2]" 1
348 1 25 PHE HA 1 26 ILE HB 4.000 . 6.000 4.429 4.354 4.548 . 0 0 "[ . 1 . 2]" 1
349 1 25 PHE HA 1 26 ILE QG 3.700 . 5.400 5.665 5.630 5.715 0.315 18 0 "[ . 1 . 2]" 1
350 1 25 PHE HA 1 26 ILE MG 3.500 . 5.000 3.988 3.839 4.121 . 0 0 "[ . 1 . 2]" 1
351 1 25 PHE HA 1 34 THR MG 3.200 . 4.500 4.546 4.196 4.943 0.443 7 0 "[ . 1 . 2]" 1
352 1 25 PHE QB 1 25 PHE QD 2.100 . 2.600 2.127 2.119 2.140 . 0 0 "[ . 1 . 2]" 1
353 1 25 PHE QB 1 25 PHE QE 2.800 . 3.800 3.928 3.917 3.940 0.140 19 0 "[ . 1 . 2]" 1
354 1 25 PHE QB 1 26 ILE H 2.700 . 3.600 3.416 3.350 3.550 . 0 0 "[ . 1 . 2]" 1
355 1 25 PHE QB 1 26 ILE MD 3.700 . 5.400 6.046 6.000 6.072 0.672 5 20 [****+**************-] 1
356 1 25 PHE QB 1 34 THR H 3.100 . 4.300 3.775 3.634 4.136 . 0 0 "[ . 1 . 2]" 1
357 1 25 PHE QB 1 34 THR MG 2.500 . 3.300 2.344 2.090 2.703 . 0 0 "[ . 1 . 2]" 1
358 1 25 PHE QD 1 26 ILE H 3.000 . 4.100 4.532 4.392 4.760 0.660 9 5 "[ . +1 - * * *]" 1
359 1 25 PHE QD 1 35 TRP HA 2.900 . 4.000 3.646 2.850 4.145 0.145 5 0 "[ . 1 . 2]" 1
360 1 25 PHE QD 1 37 ASP H 2.900 . 4.000 4.096 3.423 4.318 0.318 17 0 "[ . 1 . 2]" 1
361 1 25 PHE QD 1 38 PRO HD2 3.200 . 4.500 3.680 3.142 4.172 . 0 0 "[ . 1 . 2]" 1
362 1 25 PHE QD 1 38 PRO HD3 3.400 . 4.800 3.261 2.828 3.862 . 0 0 "[ . 1 . 2]" 1
363 1 25 PHE QE 1 35 TRP HA 3.600 . 5.200 4.427 3.999 5.328 0.128 15 0 "[ . 1 . 2]" 1
364 1 25 PHE QE 1 37 ASP H 2.900 . 4.000 2.905 2.471 3.565 . 0 0 "[ . 1 . 2]" 1
365 1 25 PHE QE 1 37 ASP HA 2.900 . 4.000 2.762 2.080 4.025 0.025 19 0 "[ . 1 . 2]" 1
366 1 25 PHE QE 1 37 ASP QB 2.800 . 3.800 2.432 2.082 2.788 . 0 0 "[ . 1 . 2]" 1
367 1 25 PHE QE 1 38 PRO HD2 3.200 . 4.500 4.068 3.594 4.587 0.087 15 0 "[ . 1 . 2]" 1
368 1 25 PHE QE 1 38 PRO HD3 3.400 . 4.800 4.330 3.236 5.065 0.265 14 0 "[ . 1 . 2]" 1
369 1 25 PHE HZ 1 37 ASP H 3.200 . 4.400 4.662 4.271 4.778 0.378 12 0 "[ . 1 . 2]" 1
370 1 25 PHE HZ 1 37 ASP HA 3.300 . 4.700 4.018 3.406 4.852 0.152 19 0 "[ . 1 . 2]" 1
371 1 25 PHE HZ 1 37 ASP QB 2.900 . 3.900 2.694 2.543 2.880 . 0 0 "[ . 1 . 2]" 1
372 1 26 ILE H 1 26 ILE HB 2.600 . 3.500 2.722 2.647 2.793 . 0 0 "[ . 1 . 2]" 1
373 1 26 ILE H 1 26 ILE MD 3.000 . 4.100 4.286 4.212 4.333 0.233 20 0 "[ . 1 . 2]" 1
374 1 26 ILE H 1 26 ILE QG 2.900 . 4.000 4.076 4.045 4.106 0.106 19 0 "[ . 1 . 2]" 1
375 1 26 ILE H 1 26 ILE MG 3.000 . 4.100 2.317 2.100 2.448 . 0 0 "[ . 1 . 2]" 1
376 1 26 ILE H 1 33 THR MG 3.300 . 4.600 4.229 3.918 4.440 . 0 0 "[ . 1 . 2]" 1
377 1 26 ILE HA 1 27 ASP H 2.400 . 3.100 2.078 2.053 2.112 . 0 0 "[ . 1 . 2]" 1
378 1 26 ILE HA 1 33 THR HA 2.500 . 3.300 2.296 2.118 2.389 . 0 0 "[ . 1 . 2]" 1
379 1 26 ILE HA 1 33 THR MG 2.600 . 3.400 2.777 2.440 2.949 . 0 0 "[ . 1 . 2]" 1
380 1 26 ILE HA 1 34 THR H 3.400 . 4.900 3.302 2.815 3.517 . 0 0 "[ . 1 . 2]" 1
381 1 26 ILE HB 1 28 HIS HE1 3.100 . 4.300 5.954 5.689 6.045 1.745 18 20 [***-*************+**] 1
382 1 26 ILE HB 1 33 THR HA 3.800 . 5.600 3.638 3.494 3.766 . 0 0 "[ . 1 . 2]" 1
383 1 26 ILE MD 1 27 ASP H 2.600 . 3.400 3.175 2.895 3.374 . 0 0 "[ . 1 . 2]" 1
384 1 26 ILE MD 1 27 ASP HA 3.200 . 4.500 3.920 3.677 4.097 . 0 0 "[ . 1 . 2]" 1
385 1 26 ILE MD 1 28 HIS H 3.000 . 4.100 3.936 3.644 4.145 0.045 1 0 "[ . 1 . 2]" 1
386 1 26 ILE MD 1 28 HIS HD2 2.500 . 3.300 4.034 3.548 4.458 1.158 1 17 "[+********1-* **** **]" 1
387 1 26 ILE MD 1 28 HIS HE1 2.200 . 2.800 2.824 2.615 3.024 0.224 20 0 "[ . 1 . 2]" 1
388 1 26 ILE MD 1 33 THR HA 3.100 . 4.300 4.391 4.016 4.591 0.291 19 0 "[ . 1 . 2]" 1
389 1 26 ILE MD 1 33 THR MG 2.700 . 3.600 3.329 3.307 3.376 . 0 0 "[ . 1 . 2]" 1
390 1 26 ILE QG 1 28 HIS HE1 3.300 . 4.700 4.771 4.532 4.859 0.159 19 0 "[ . 1 . 2]" 1
391 1 26 ILE QG 1 33 THR HA 3.500 . 5.000 2.794 2.349 3.034 . 0 0 "[ . 1 . 2]" 1
392 1 26 ILE MG 1 27 ASP H 3.500 . 5.000 4.008 3.895 4.121 . 0 0 "[ . 1 . 2]" 1
393 1 26 ILE MG 1 28 HIS HD2 2.700 . 3.600 3.457 3.004 3.955 0.355 12 0 "[ . 1 . 2]" 1
394 1 26 ILE MG 1 28 HIS HE1 2.600 . 3.400 3.225 2.975 3.428 0.028 18 0 "[ . 1 . 2]" 1
395 1 26 ILE MG 1 33 THR HA 3.600 . 5.200 4.782 4.616 4.874 . 0 0 "[ . 1 . 2]" 1
396 1 26 ILE MG 1 33 THR MG 2.800 . 3.800 3.576 3.385 3.676 . 0 0 "[ . 1 . 2]" 1
397 1 27 ASP H 1 27 ASP HA 2.900 . 4.000 2.885 2.871 2.917 . 0 0 "[ . 1 . 2]" 1
398 1 27 ASP H 1 27 ASP HB2 2.600 . 3.400 3.064 2.728 3.364 . 0 0 "[ . 1 . 2]" 1
399 1 27 ASP H 1 27 ASP HB3 2.800 . 3.800 2.227 2.087 2.475 . 0 0 "[ . 1 . 2]" 1
400 1 27 ASP H 1 32 THR H 3.000 . 4.100 3.019 2.758 3.490 . 0 0 "[ . 1 . 2]" 1
401 1 27 ASP H 1 33 THR HA 3.100 . 4.300 3.470 3.232 3.658 . 0 0 "[ . 1 . 2]" 1
402 1 27 ASP H 1 33 THR MG 2.900 . 4.000 4.210 3.970 4.353 0.353 9 0 "[ . 1 . 2]" 1
403 1 27 ASP HA 1 28 HIS H 2.200 . 2.800 2.148 2.127 2.196 . 0 0 "[ . 1 . 2]" 1
404 1 27 ASP HA 1 28 HIS HD2 3.200 . 4.500 4.559 4.081 4.839 0.339 8 0 "[ . 1 . 2]" 1
405 1 27 ASP HA 1 29 ASN H 3.000 . 4.100 3.572 3.478 3.685 . 0 0 "[ . 1 . 2]" 1
406 1 27 ASP HB2 1 28 HIS H 3.000 . 4.200 3.986 3.674 4.236 0.036 20 0 "[ . 1 . 2]" 1
407 1 27 ASP HB3 1 28 HIS H 3.500 . 5.000 4.402 4.200 4.515 . 0 0 "[ . 1 . 2]" 1
408 1 28 HIS H 1 28 HIS HA 2.800 . 3.800 2.916 2.886 2.935 . 0 0 "[ . 1 . 2]" 1
409 1 28 HIS H 1 28 HIS HB2 2.600 . 3.400 2.349 2.270 2.413 . 0 0 "[ . 1 . 2]" 1
410 1 28 HIS H 1 28 HIS HB3 2.600 . 3.400 3.601 3.551 3.638 0.238 14 0 "[ . 1 . 2]" 1
411 1 28 HIS H 1 28 HIS HD2 2.600 . 3.400 3.466 3.247 3.641 0.241 16 0 "[ . 1 . 2]" 1
412 1 28 HIS H 1 29 ASN H 2.400 . 3.100 2.456 2.297 2.719 . 0 0 "[ . 1 . 2]" 1
413 1 28 HIS HA 1 29 ASN H 3.200 . 4.500 3.231 3.139 3.331 . 0 0 "[ . 1 . 2]" 1
414 1 28 HIS HA 1 31 LYS H 3.200 . 4.500 3.480 3.253 3.810 . 0 0 "[ . 1 . 2]" 1
415 1 28 HIS HA 1 31 LYS HA 2.900 . 3.900 3.225 2.819 3.552 . 0 0 "[ . 1 . 2]" 1
416 1 28 HIS HB2 1 28 HIS HD2 2.400 . 3.100 2.714 2.688 2.749 . 0 0 "[ . 1 . 2]" 1
417 1 28 HIS HB2 1 29 ASN H 3.500 . 5.000 3.701 3.447 3.863 . 0 0 "[ . 1 . 2]" 1
418 1 28 HIS HB3 1 28 HIS HD2 2.500 . 3.300 3.773 3.717 3.852 0.552 18 7 "[ . *1- * * +**]" 1
419 1 28 HIS HB3 1 29 ASN H 3.200 . 4.500 4.233 4.089 4.335 . 0 0 "[ . 1 . 2]" 1
420 1 29 ASN H 1 29 ASN HA 2.500 . 3.300 2.901 2.872 2.923 . 0 0 "[ . 1 . 2]" 1
421 1 29 ASN H 1 29 ASN HB2 2.400 . 3.100 2.499 2.368 2.759 . 0 0 "[ . 1 . 2]" 1
422 1 29 ASN H 1 29 ASN HB3 2.500 . 3.300 3.617 3.588 3.664 0.364 18 0 "[ . 1 . 2]" 1
423 1 29 ASN H 1 29 ASN HD21 2.500 . 3.300 2.653 2.284 3.450 0.150 4 0 "[ . 1 . 2]" 1
424 1 29 ASN H 1 29 ASN HD22 2.800 . 3.800 3.711 3.201 4.103 0.303 16 0 "[ . 1 . 2]" 1
425 1 29 ASN H 1 30 THR H 2.500 . 3.300 2.425 2.219 2.652 . 0 0 "[ . 1 . 2]" 1
426 1 29 ASN H 1 30 THR MG 3.000 . 4.100 4.379 4.315 4.451 0.351 10 0 "[ . 1 . 2]" 1
427 1 29 ASN H 1 31 LYS H 2.800 . 3.800 3.074 2.897 3.294 . 0 0 "[ . 1 . 2]" 1
428 1 29 ASN HA 1 29 ASN HD21 2.900 . 4.000 4.139 3.983 4.425 0.425 4 0 "[ . 1 . 2]" 1
429 1 29 ASN HA 1 29 ASN HD22 3.400 . 4.800 4.550 4.400 4.736 . 0 0 "[ . 1 . 2]" 1
430 1 29 ASN HA 1 30 THR H 3.200 . 4.500 3.559 3.538 3.583 . 0 0 "[ . 1 . 2]" 1
431 1 29 ASN HA 1 30 THR MG 3.600 . 5.300 4.347 4.140 4.605 . 0 0 "[ . 1 . 2]" 1
432 1 29 ASN HB2 1 29 ASN HD21 2.400 . 3.100 2.154 2.094 2.224 . 0 0 "[ . 1 . 2]" 1
433 1 29 ASN HB2 1 29 ASN HD22 2.800 . 3.800 3.446 3.421 3.475 . 0 0 "[ . 1 . 2]" 1
434 1 29 ASN HB2 1 30 THR H 3.000 . 4.100 2.277 2.031 2.479 . 0 0 "[ . 1 . 2]" 1
435 1 29 ASN HB2 1 30 THR MG 2.600 . 3.500 2.745 2.497 2.909 . 0 0 "[ . 1 . 2]" 1
436 1 29 ASN HB2 1 31 LYS H 3.400 . 4.900 4.225 3.959 4.551 . 0 0 "[ . 1 . 2]" 1
437 1 29 ASN HB3 1 29 ASN HD21 2.500 . 3.300 3.357 3.078 3.454 0.154 13 0 "[ . 1 . 2]" 1
438 1 29 ASN HB3 1 29 ASN HD22 2.900 . 4.000 3.992 3.854 4.041 0.041 13 0 "[ . 1 . 2]" 1
439 1 29 ASN HB3 1 30 THR H 3.100 . 4.300 3.402 3.065 3.723 . 0 0 "[ . 1 . 2]" 1
440 1 29 ASN HB3 1 30 THR MG 2.900 . 4.000 3.054 2.669 3.353 . 0 0 "[ . 1 . 2]" 1
441 1 29 ASN HB3 1 31 LYS H 3.500 . 5.000 5.170 4.901 5.412 0.412 7 0 "[ . 1 . 2]" 1
442 1 29 ASN HD21 1 30 THR H 3.300 . 4.600 3.757 3.109 4.118 . 0 0 "[ . 1 . 2]" 1
443 1 29 ASN HD21 1 30 THR MG 3.100 . 4.300 4.489 4.196 4.631 0.331 3 0 "[ . 1 . 2]" 1
444 1 29 ASN HD22 1 30 THR MG 3.700 . 5.400 5.714 5.509 5.822 0.422 15 0 "[ . 1 . 2]" 1
445 1 30 THR H 1 31 LYS H 2.400 . 3.100 2.145 1.949 2.307 . 0 0 "[ . 1 . 2]" 1
446 1 30 THR H 1 31 LYS HA 3.200 . 4.400 4.335 4.139 4.501 0.101 20 0 "[ . 1 . 2]" 1
447 1 30 THR HA 1 31 LYS H 2.800 . 3.800 3.269 3.062 3.416 . 0 0 "[ . 1 . 2]" 1
448 1 31 LYS H 1 31 LYS HA 2.200 . 2.800 2.257 2.246 2.267 . 0 0 "[ . 1 . 2]" 1
449 1 31 LYS H 1 31 LYS HB2 2.900 . 3.900 3.381 3.129 3.834 . 0 0 "[ . 1 . 2]" 1
450 1 31 LYS H 1 31 LYS QD 3.100 . 4.300 3.940 2.865 4.734 0.434 2 0 "[ . 1 . 2]" 1
451 1 31 LYS H 1 31 LYS QG 2.500 . 3.300 3.158 2.442 3.641 0.341 18 0 "[ . 1 . 2]" 1
452 1 31 LYS H 1 32 THR H 2.500 . 3.300 2.877 2.530 3.036 . 0 0 "[ . 1 . 2]" 1
453 1 31 LYS HA 1 32 THR H 2.100 . 2.700 2.476 2.345 2.748 0.048 17 0 "[ . 1 . 2]" 1
454 1 31 LYS HB3 1 32 THR H 3.100 . 4.300 4.295 4.197 4.455 0.155 7 0 "[ . 1 . 2]" 1
455 1 31 LYS QG 1 32 THR H 3.300 . 4.600 4.424 4.135 4.832 0.232 4 0 "[ . 1 . 2]" 1
456 1 32 THR H 1 32 THR HB 2.800 . 3.800 3.131 2.906 3.326 . 0 0 "[ . 1 . 2]" 1
457 1 32 THR HA 1 33 THR H 3.100 . 4.300 2.272 2.205 2.420 . 0 0 "[ . 1 . 2]" 1
458 1 32 THR HB 1 33 THR H 2.400 . 3.100 3.385 3.323 3.691 0.591 1 1 "[+ . 1 . 2]" 1
459 1 32 THR MG 1 33 THR H 2.400 . 3.200 2.400 1.816 2.973 . 0 0 "[ . 1 . 2]" 1
460 1 32 THR MG 1 33 THR HA 3.500 . 5.100 4.442 3.571 4.816 . 0 0 "[ . 1 . 2]" 1
461 1 32 THR MG 1 34 THR HA 3.700 . 5.400 4.938 4.711 5.051 . 0 0 "[ . 1 . 2]" 1
462 1 33 THR H 1 33 THR HB 2.900 . 3.900 3.353 3.140 3.541 . 0 0 "[ . 1 . 2]" 1
463 1 33 THR H 1 33 THR MG 2.700 . 3.600 3.671 3.526 3.863 0.263 13 0 "[ . 1 . 2]" 1
464 1 33 THR HA 1 34 THR H 2.600 . 3.500 2.179 2.112 2.222 . 0 0 "[ . 1 . 2]" 1
465 1 33 THR HA 1 34 THR MG 3.300 . 4.700 4.067 3.773 4.410 . 0 0 "[ . 1 . 2]" 1
466 1 33 THR HB 1 34 THR H 2.800 . 3.800 3.909 3.735 4.035 0.235 6 0 "[ . 1 . 2]" 1
467 1 33 THR MG 1 34 THR H 2.700 . 3.600 3.518 3.082 3.758 0.158 10 0 "[ . 1 . 2]" 1
468 1 34 THR H 1 34 THR HB 3.100 . 4.300 2.985 2.606 3.187 . 0 0 "[ . 1 . 2]" 1
469 1 34 THR H 1 34 THR MG 2.400 . 3.100 2.291 2.070 2.602 . 0 0 "[ . 1 . 2]" 1
470 1 34 THR HA 1 35 TRP H 3.000 . 4.100 2.265 2.196 2.370 . 0 0 "[ . 1 . 2]" 1
471 1 34 THR HB 1 35 TRP H 2.900 . 3.900 4.104 3.957 4.324 0.424 9 0 "[ . 1 . 2]" 1
472 1 34 THR MG 1 35 TRP H 2.700 . 3.600 3.573 2.917 3.899 0.299 13 0 "[ . 1 . 2]" 1
473 1 34 THR MG 1 36 GLU H 2.500 . 3.300 2.960 2.389 3.422 0.122 15 0 "[ . 1 . 2]" 1
474 1 34 THR MG 1 36 GLU QG 3.100 . 4.300 4.174 3.466 4.863 0.563 4 1 "[ +. 1 . 2]" 1
475 1 34 THR MG 1 38 PRO HD3 3.600 . 5.200 2.966 2.475 3.800 . 0 0 "[ . 1 . 2]" 1
476 1 35 TRP H 1 35 TRP HA 2.900 . 4.000 2.920 2.910 2.942 . 0 0 "[ . 1 . 2]" 1
477 1 35 TRP H 1 35 TRP HB2 2.600 . 3.400 2.693 2.428 2.901 . 0 0 "[ . 1 . 2]" 1
478 1 35 TRP H 1 35 TRP HB3 2.700 . 3.600 3.662 3.633 3.718 0.118 8 0 "[ . 1 . 2]" 1
479 1 35 TRP H 1 35 TRP HD1 2.700 . 3.600 2.397 2.199 2.991 . 0 0 "[ . 1 . 2]" 1
480 1 35 TRP H 1 35 TRP HE1 3.400 . 4.800 4.423 4.150 5.057 0.257 15 0 "[ . 1 . 2]" 1
481 1 35 TRP HA 1 35 TRP HD1 3.000 . 4.100 4.332 4.283 4.385 0.285 4 0 "[ . 1 . 2]" 1
482 1 35 TRP HA 1 35 TRP HE3 2.600 . 3.400 3.241 2.774 3.504 0.104 14 0 "[ . 1 . 2]" 1
483 1 35 TRP HA 1 35 TRP HZ3 3.100 . 4.300 5.410 4.916 5.696 1.396 14 20 [*************+-*****] 1
484 1 35 TRP HA 1 36 GLU H 3.000 . 4.100 3.354 3.178 3.495 . 0 0 "[ . 1 . 2]" 1
485 1 35 TRP HB2 1 35 TRP HD1 2.200 . 2.800 2.671 2.535 2.753 . 0 0 "[ . 1 . 2]" 1
486 1 35 TRP HB2 1 35 TRP HE3 2.900 . 3.900 4.092 4.025 4.195 0.295 15 0 "[ . 1 . 2]" 1
487 1 35 TRP HB2 1 36 GLU H 2.800 . 3.800 3.078 1.908 3.705 . 0 0 "[ . 1 . 2]" 1
488 1 35 TRP HB3 1 35 TRP HE3 2.700 . 3.600 2.555 2.471 2.756 . 0 0 "[ . 1 . 2]" 1
489 1 35 TRP HB3 1 36 GLU H 3.100 . 4.300 4.104 2.848 4.503 0.203 3 0 "[ . 1 . 2]" 1
490 1 35 TRP HD1 1 36 GLU QG 3.000 . 4.100 3.812 3.713 4.122 0.022 15 0 "[ . 1 . 2]" 1
491 1 35 TRP HE1 1 36 GLU QG 3.100 . 4.300 6.114 6.055 6.234 1.934 15 20 [*****-********+*****] 1
492 1 36 GLU H 1 36 GLU HA 2.700 . 3.600 2.891 2.830 2.937 . 0 0 "[ . 1 . 2]" 1
493 1 36 GLU H 1 36 GLU HB2 2.700 . 3.600 2.807 2.431 3.283 . 0 0 "[ . 1 . 2]" 1
494 1 36 GLU H 1 36 GLU HB3 2.800 . 3.800 3.585 3.474 3.690 . 0 0 "[ . 1 . 2]" 1
495 1 36 GLU H 1 36 GLU QG 2.300 . 2.900 1.981 1.606 2.614 0.094 15 0 "[ . 1 . 2]" 1
496 1 36 GLU H 1 37 ASP H 3.000 . 4.100 4.352 4.184 4.548 0.448 15 0 "[ . 1 . 2]" 1
497 1 36 GLU HB2 1 37 ASP H 3.000 . 4.100 4.092 3.850 4.425 0.325 14 0 "[ . 1 . 2]" 1
498 1 36 GLU HB3 1 37 ASP H 3.000 . 4.100 3.645 3.327 4.003 . 0 0 "[ . 1 . 2]" 1
499 1 36 GLU QG 1 37 ASP H 2.400 . 3.100 4.643 4.347 4.863 1.763 18 20 [*************-***+**] 1
500 1 37 ASP H 1 37 ASP HA 2.700 . 3.600 2.782 2.730 2.841 . 0 0 "[ . 1 . 2]" 1
501 1 37 ASP H 1 37 ASP QB 2.200 . 2.800 2.337 2.163 2.887 0.087 8 0 "[ . 1 . 2]" 1
502 1 37 ASP H 1 38 PRO HD3 3.300 . 4.600 4.617 4.220 4.849 0.249 5 0 "[ . 1 . 2]" 1
503 1 37 ASP HA 1 39 ARG H 3.300 . 4.700 3.725 3.523 4.033 . 0 0 "[ . 1 . 2]" 1
504 1 37 ASP QB 1 39 ARG H 3.200 . 4.500 3.372 2.156 3.965 . 0 0 "[ . 1 . 2]" 1
505 1 37 ASP QB 1 40 LEU QD 2.800 . 3.800 2.392 1.784 3.419 0.116 5 0 "[ . 1 . 2]" 1
506 1 37 ASP QB 1 40 LEU HG 3.000 . 4.100 2.887 1.777 3.785 0.223 1 0 "[ . 1 . 2]" 1
507 1 38 PRO HA 1 39 ARG H 2.700 . 3.600 3.352 3.150 3.584 . 0 0 "[ . 1 . 2]" 1
508 1 38 PRO HA 1 40 LEU H 3.200 . 4.500 3.825 3.163 4.932 0.432 13 0 "[ . 1 . 2]" 1
509 1 38 PRO QB 1 39 ARG H 3.100 . 4.300 3.649 3.164 3.911 . 0 0 "[ . 1 . 2]" 1
510 1 38 PRO HD2 1 39 ARG H 3.000 . 4.100 2.963 2.637 3.226 . 0 0 "[ . 1 . 2]" 1
511 1 38 PRO HD3 1 39 ARG H 3.100 . 4.300 4.038 3.718 4.220 . 0 0 "[ . 1 . 2]" 1
512 1 38 PRO HG2 1 39 ARG H 3.000 . 4.100 3.360 2.786 4.403 0.303 3 0 "[ . 1 . 2]" 1
513 1 38 PRO HG3 1 39 ARG H 3.200 . 4.500 4.584 4.270 4.820 0.320 15 0 "[ . 1 . 2]" 1
514 1 39 ARG H 1 39 ARG HA 2.500 . 3.300 2.906 2.861 2.938 . 0 0 "[ . 1 . 2]" 1
515 1 39 ARG H 1 39 ARG HB2 2.400 . 3.100 2.862 2.495 3.677 0.577 19 2 "[ .- 1 . +2]" 1
516 1 39 ARG H 1 39 ARG HB3 2.500 . 3.300 3.529 2.455 3.706 0.406 10 0 "[ . 1 . 2]" 1
517 1 39 ARG H 1 39 ARG QD 2.800 . 3.800 3.859 1.881 4.157 0.357 6 0 "[ . 1 . 2]" 1
518 1 39 ARG H 1 39 ARG HE 2.900 . 4.000 3.401 2.904 4.500 0.500 5 0 "[ . 1 . 2]" 1
519 1 39 ARG H 1 39 ARG HG2 2.600 . 3.400 2.673 1.814 3.641 0.241 4 0 "[ . 1 . 2]" 1
520 1 39 ARG H 1 39 ARG HG3 2.600 . 3.400 2.872 1.779 3.830 0.430 6 0 "[ . 1 . 2]" 1
521 1 39 ARG H 1 40 LEU H 2.400 . 3.100 2.282 1.963 2.500 . 0 0 "[ . 1 . 2]" 1
522 1 39 ARG H 1 40 LEU QD 3.300 . 4.700 4.239 3.691 4.614 . 0 0 "[ . 1 . 2]" 1
523 1 39 ARG H 1 40 LEU HG 3.300 . 4.600 3.835 3.070 4.285 . 0 0 "[ . 1 . 2]" 1
524 1 39 ARG H 1 41 LYS H 2.900 . 3.900 3.788 3.143 4.176 0.276 1 0 "[ . 1 . 2]" 1
525 1 39 ARG HA 1 39 ARG HE 3.300 . 4.700 3.663 1.955 5.400 0.700 19 1 "[ . 1 . +2]" 1
526 1 39 ARG HA 1 40 LEU H 2.800 . 3.800 3.384 3.234 3.561 . 0 0 "[ . 1 . 2]" 1
527 1 39 ARG HB2 1 39 ARG HE 2.700 . 3.600 3.255 1.887 4.431 0.831 19 2 "[ - 1 . +2]" 1
528 1 39 ARG HB3 1 39 ARG HE 2.900 . 3.900 3.271 2.328 3.774 . 0 0 "[ . 1 . 2]" 1
529 1 39 ARG QD 1 39 ARG HE 2.600 . 3.500 2.442 2.292 2.494 . 0 0 "[ . 1 . 2]" 1
530 1 39 ARG QD 1 39 ARG QH 3.000 . 4.100 1.873 1.667 2.021 0.233 1 0 "[ . 1 . 2]" 1
531 1 39 ARG HE 1 39 ARG HG2 2.800 . 3.800 3.004 1.951 3.805 0.005 4 0 "[ . 1 . 2]" 1
532 1 39 ARG HE 1 39 ARG HG3 2.800 . 3.800 3.147 2.426 3.729 . 0 0 "[ . 1 . 2]" 1
533 1 40 LEU H 1 40 LEU HA 2.700 . 3.600 2.899 2.842 2.942 . 0 0 "[ . 1 . 2]" 1
534 1 40 LEU H 1 40 LEU QB 2.200 . 2.800 2.508 2.273 2.724 . 0 0 "[ . 1 . 2]" 1
535 1 40 LEU H 1 40 LEU QD 2.800 . 3.800 3.155 2.880 3.541 . 0 0 "[ . 1 . 2]" 1
536 1 40 LEU H 1 40 LEU HG 2.500 . 3.300 2.387 1.847 3.141 . 0 0 "[ . 1 . 2]" 1
537 1 40 LEU H 1 41 LYS QG 3.100 . 4.300 3.803 2.860 4.607 0.307 9 0 "[ . 1 . 2]" 1
538 1 40 LEU HA 1 41 LYS H 2.700 . 3.600 3.446 3.312 3.543 . 0 0 "[ . 1 . 2]" 1
539 1 40 LEU QB 1 41 LYS H 2.300 . 3.000 2.787 2.415 3.138 0.138 8 0 "[ . 1 . 2]" 1
540 1 40 LEU QD 1 41 LYS H 3.200 . 4.500 4.007 2.459 4.344 . 0 0 "[ . 1 . 2]" 1
541 1 41 LYS H 1 41 LYS HA 2.500 . 3.300 2.794 2.257 2.951 . 0 0 "[ . 1 . 2]" 1
542 1 41 LYS H 1 41 LYS QB 2.800 . 3.800 3.040 2.299 3.406 . 0 0 "[ . 1 . 2]" 1
543 1 41 LYS H 1 41 LYS QG 2.800 . 3.800 2.383 1.873 3.281 . 0 0 "[ . 1 . 2]" 1
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