NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
369725 |
1bf0   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bf0
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 897
_Distance_constraint_stats_list.Viol_count 2644
_Distance_constraint_stats_list.Viol_total 6054.461
_Distance_constraint_stats_list.Viol_max 0.960
_Distance_constraint_stats_list.Viol_rms 0.0891
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0300
_Distance_constraint_stats_list.Viol_average_violations_only 0.1527
_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 TRP 20.552 0.475 13 0 "[ . 1 .]"
1 2 GLN 3.641 0.461 9 0 "[ . 1 .]"
1 3 PRO 31.782 0.949 3 1 "[ + . 1 .]"
1 4 PRO 15.275 0.859 12 3 "[ . -* + .]"
1 5 TRP 33.059 0.496 3 0 "[ . 1 .]"
1 6 TYR 26.793 0.859 12 3 "[ . -* + .]"
1 7 CYS 14.719 0.488 5 0 "[ . 1 .]"
1 8 LYS 20.871 0.949 3 7 "[ *+*. ** - *]"
1 9 GLU 8.724 0.721 8 1 "[ . + 1 .]"
1 10 PRO 14.502 0.721 8 1 "[ . + 1 .]"
1 11 VAL 15.036 0.864 3 3 "[* + . - 1 .]"
1 12 ARG 22.246 0.960 1 6 "[+ *. -* **.]"
1 13 ILE 25.859 0.462 5 0 "[ . 1 .]"
1 14 GLY 6.867 0.542 4 2 "[ +. 1 -.]"
1 15 SER 0.652 0.293 4 0 "[ . 1 .]"
1 16 CYS 5.718 0.375 9 0 "[ . 1 .]"
1 17 LYS 12.492 0.407 11 0 "[ . 1 .]"
1 18 LYS 7.568 0.407 11 0 "[ . 1 .]"
1 19 GLN 14.381 0.543 4 1 "[ +. 1 .]"
1 20 PHE 5.913 0.312 12 0 "[ . 1 .]"
1 21 SER 10.383 0.741 9 5 "[ -. +1** *.]"
1 22 SER 22.993 0.737 10 3 "[ * . -+ .]"
1 23 PHE 20.751 0.741 9 8 "[*** - +** *]"
1 24 TYR 23.851 0.864 3 6 "[-*+ * 1 * *]"
1 25 PHE 17.266 0.487 13 0 "[ . 1 .]"
1 26 LYS 23.410 0.885 13 3 "[ - . 1 *+ .]"
1 27 TRP 28.511 0.820 13 3 "[- *. 1 + .]"
1 28 THR 4.321 0.434 1 0 "[ . 1 .]"
1 29 ALA 3.390 0.399 13 0 "[ . 1 .]"
1 30 LYS 11.611 0.949 3 1 "[ + . 1 .]"
1 31 LYS 2.622 0.152 2 0 "[ . 1 .]"
1 32 CYS 12.854 0.949 12 7 "[* * .**- 1 + *]"
1 33 LEU 25.615 0.885 13 12 "[ * ******1*-+**]"
1 34 PRO 15.842 0.741 9 7 "[ **. +**- *.]"
1 35 PHE 36.482 0.885 13 8 "[* * - ***+ *]"
1 36 LEU 26.319 0.885 13 5 "[ -. 1**+*.]"
1 37 PHE 13.509 0.372 14 0 "[ . 1 .]"
1 38 SER 5.477 0.358 6 0 "[ . 1 .]"
1 39 GLY 3.873 0.402 1 0 "[ . 1 .]"
1 40 CYS 0.830 0.375 9 0 "[ . 1 .]"
1 41 GLY 2.716 0.542 4 2 "[ +. 1 -.]"
1 42 GLY 6.631 0.337 12 0 "[ . 1 .]"
1 43 ASN 3.053 0.408 8 0 "[ . 1 .]"
1 44 ALA 4.447 0.305 1 0 "[ . 1 .]"
1 45 ASN 10.877 0.386 1 0 "[ . 1 .]"
1 46 ARG 24.712 0.593 10 1 "[ . + .]"
1 47 PHE 13.796 0.341 9 0 "[ . 1 .]"
1 48 GLN 12.091 0.571 10 2 "[ . +* .]"
1 49 THR 1.962 0.286 7 0 "[ . 1 .]"
1 50 ILE 6.625 0.613 7 2 "[ -. + 1 .]"
1 51 GLY 5.829 0.581 8 1 "[ . + 1 .]"
1 52 GLU 13.684 0.571 10 3 "[ -. +* .]"
1 53 CYS 18.812 0.949 12 6 "[- * .** 1 + *]"
1 54 ARG 23.300 0.933 3 6 "[ +-.** 1 * *]"
1 55 LYS 5.908 0.522 4 1 "[ +. 1 .]"
1 56 LYS 26.074 0.859 12 2 "[ . - + .]"
1 57 CYS 13.082 0.415 15 0 "[ . 1 .]"
1 58 LEU 16.377 0.949 3 1 "[ + . 1 .]"
1 59 GLY 5.391 0.285 3 0 "[ . 1 .]"
1 60 LYS 16.517 0.491 7 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 TRP HA 1 1 TRP HB2 2.900 . 4.190 2.431 2.329 2.583 . 0 0 "[ . 1 .]" 1
2 1 1 TRP HA 1 1 TRP HB3 3.100 2.330 3.870 3.099 3.078 3.127 . 0 0 "[ . 1 .]" 1
3 1 1 TRP HA 1 1 TRP HD1 3.500 2.620 4.380 3.484 3.248 3.641 . 0 0 "[ . 1 .]" 1
4 1 1 TRP HA 1 1 TRP HD1 3.400 2.550 4.250 3.381 3.220 3.524 . 0 0 "[ . 1 .]" 1
5 1 1 TRP HA 1 2 GLN H 2.900 2.190 3.610 2.299 2.263 2.359 . 0 0 "[ . 1 .]" 1
6 1 1 TRP HB2 1 1 TRP HD1 3.200 2.390 4.010 2.772 2.703 2.869 . 0 0 "[ . 1 .]" 1
7 1 1 TRP HB2 1 1 TRP HZ2 5.000 2.400 7.600 6.021 5.747 6.249 . 0 0 "[ . 1 .]" 1
8 1 1 TRP HB3 1 1 TRP HD1 3.500 2.620 4.380 2.483 2.329 2.584 0.291 15 0 "[ . 1 .]" 1
9 1 1 TRP HB3 1 1 TRP HH2 4.100 3.080 5.120 4.590 4.352 4.700 . 0 0 "[ . 1 .]" 1
10 1 1 TRP HB3 1 1 TRP HH2 4.100 3.080 5.120 5.162 4.981 5.371 0.251 3 0 "[ . 1 .]" 1
11 1 1 TRP HB3 1 25 PHE QE 2.600 . 3.250 2.332 2.269 2.427 . 0 0 "[ . 1 .]" 1
12 1 1 TRP HB3 1 60 LYS QG 4.500 3.370 5.630 5.714 5.499 6.027 0.397 15 0 "[ . 1 .]" 1
13 1 1 TRP HD1 1 2 GLN HB2 3.600 2.700 4.500 3.984 3.631 4.185 . 0 0 "[ . 1 .]" 1
14 1 1 TRP HD1 1 3 PRO HA 3.300 2.460 4.140 4.330 4.252 4.407 0.267 11 0 "[ . 1 .]" 1
15 1 1 TRP HD1 1 59 GLY HA2 4.100 3.080 5.120 4.066 3.795 4.901 . 0 0 "[ . 1 .]" 1
16 1 1 TRP HD1 1 59 GLY HA3 3.500 2.620 4.380 4.081 3.940 4.242 . 0 0 "[ . 1 .]" 1
17 1 1 TRP HD1 1 4 PRO HD2 3.900 2.940 4.860 4.426 4.106 4.706 . 0 0 "[ . 1 .]" 1
18 1 1 TRP HD1 1 4 PRO HD3 3.600 2.700 4.500 3.456 3.323 3.603 . 0 0 "[ . 1 .]" 1
19 1 1 TRP HD1 1 6 TYR QD 3.800 2.850 4.750 2.938 2.760 3.763 0.090 7 0 "[ . 1 .]" 1
20 1 1 TRP HD1 1 57 CYS HA 2.800 2.100 3.500 3.848 3.721 3.915 0.415 15 0 "[ . 1 .]" 1
21 1 1 TRP HD1 1 27 TRP HZ3 2.200 . 2.750 2.472 2.452 2.497 . 0 0 "[ . 1 .]" 1
22 1 1 TRP HD1 1 57 CYS HA 3.600 2.700 4.500 4.205 3.791 4.360 . 0 0 "[ . 1 .]" 1
23 1 1 TRP HE3 1 3 PRO QG 3.500 2.620 4.380 3.023 2.471 3.608 0.149 13 0 "[ . 1 .]" 1
24 1 1 TRP HE3 1 3 PRO QG 3.900 2.940 4.860 2.995 2.465 3.540 0.475 13 0 "[ . 1 .]" 1
25 1 1 TRP HE3 1 58 LEU HA 4.000 3.000 5.000 3.443 3.183 3.652 . 0 0 "[ . 1 .]" 1
26 1 1 TRP HH2 1 3 PRO HA 3.500 2.640 4.360 3.905 3.700 4.054 . 0 0 "[ . 1 .]" 1
27 1 1 TRP HH2 1 3 PRO QB 3.100 2.320 3.880 2.434 2.098 2.934 0.222 3 0 "[ . 1 .]" 1
28 1 1 TRP HH2 1 3 PRO QB 3.000 2.250 3.750 2.390 2.086 2.814 0.164 3 0 "[ . 1 .]" 1
29 1 1 TRP HH2 1 3 PRO QG 3.300 2.480 4.120 3.091 2.418 3.910 0.062 9 0 "[ . 1 .]" 1
30 1 1 TRP HH2 1 4 PRO HD3 4.300 3.230 5.370 5.321 4.896 5.454 0.084 3 0 "[ . 1 .]" 1
31 1 1 TRP HH2 1 57 CYS HA 3.800 2.850 4.750 4.366 4.074 4.637 . 0 0 "[ . 1 .]" 1
32 1 1 TRP HH2 1 58 LEU HG 3.600 2.700 4.500 4.524 4.271 4.644 0.144 6 0 "[ . 1 .]" 1
33 1 1 TRP HH2 1 3 PRO QB 4.500 2.600 6.400 2.699 2.493 3.021 0.107 7 0 "[ . 1 .]" 1
34 1 1 TRP HH2 1 3 PRO QB 3.200 2.400 4.000 2.510 2.109 2.981 0.291 3 0 "[ . 1 .]" 1
35 1 1 TRP HH2 1 3 PRO QG 3.500 2.620 4.380 2.970 2.443 3.512 0.177 9 0 "[ . 1 .]" 1
36 1 1 TRP HH2 1 4 PRO HD2 3.500 2.610 4.390 4.177 3.823 4.563 0.173 9 0 "[ . 1 .]" 1
37 1 1 TRP HH2 1 7 CYS HB2 3.800 2.850 4.750 4.334 3.853 4.604 . 0 0 "[ . 1 .]" 1
38 1 1 TRP HH2 1 13 ILE MD 4.500 3.000 6.000 5.699 5.372 5.972 . 0 0 "[ . 1 .]" 1
39 1 1 TRP HH2 1 26 LYS HA 2.900 2.180 3.620 3.350 3.011 3.640 0.020 10 0 "[ . 1 .]" 1
40 1 1 TRP HH2 1 30 LYS HG3 3.400 2.560 4.240 3.290 2.981 3.675 . 0 0 "[ . 1 .]" 1
41 1 1 TRP HH2 1 34 PRO HA 3.800 2.850 4.750 3.912 3.596 4.172 . 0 0 "[ . 1 .]" 1
42 1 1 TRP HH2 1 30 LYS QD 3.100 2.320 3.880 2.983 2.501 3.477 . 0 0 "[ . 1 .]" 1
43 1 1 TRP HH2 1 30 LYS QD 3.000 2.260 3.740 3.035 2.525 3.554 . 0 0 "[ . 1 .]" 1
44 1 1 TRP HZ2 1 3 PRO QG 3.300 2.480 4.120 3.307 2.524 3.655 . 0 0 "[ . 1 .]" 1
45 1 1 TRP HZ2 1 4 PRO HD2 2.800 2.100 3.500 3.414 3.012 3.851 0.351 8 0 "[ . 1 .]" 1
46 1 1 TRP HZ2 1 4 PRO HG3 4.200 3.150 5.250 4.184 3.670 4.616 . 0 0 "[ . 1 .]" 1
47 1 1 TRP HZ2 1 4 PRO HG3 4.100 3.080 5.120 3.918 3.551 4.178 . 0 0 "[ . 1 .]" 1
48 1 1 TRP HZ2 1 6 TYR HB3 3.600 2.700 4.500 3.383 2.699 4.477 0.001 4 0 "[ . 1 .]" 1
49 1 1 TRP HZ2 1 30 LYS HG2 4.100 3.080 5.120 4.460 3.809 5.008 . 0 0 "[ . 1 .]" 1
50 1 2 GLN H 1 2 GLN HA 3.900 2.930 4.870 2.875 2.855 2.900 0.075 9 0 "[ . 1 .]" 1
51 1 2 GLN H 1 2 GLN HB2 3.600 2.700 4.500 2.809 2.688 3.014 0.012 6 0 "[ . 1 .]" 1
52 1 2 GLN H 1 2 GLN HB3 2.900 2.190 3.610 3.183 2.324 3.856 0.246 12 0 "[ . 1 .]" 1
53 1 2 GLN HA 1 2 GLN HB2 2.800 2.100 3.500 3.104 3.077 3.133 . 0 0 "[ . 1 .]" 1
54 1 2 GLN HA 1 2 GLN QG 3.400 2.400 4.400 2.718 2.388 3.097 0.012 14 0 "[ . 1 .]" 1
55 1 2 GLN HA 1 3 PRO HD2 2.400 . 3.000 2.956 2.570 3.461 0.461 9 0 "[ . 1 .]" 1
56 1 2 GLN HA 1 3 PRO HD3 2.700 . 3.640 2.227 2.031 2.421 . 0 0 "[ . 1 .]" 1
57 1 2 GLN HA 1 3 PRO QG 3.700 2.770 4.630 4.034 3.696 4.254 . 0 0 "[ . 1 .]" 1
58 1 2 GLN HB2 1 3 PRO HD2 2.800 2.100 3.500 3.262 3.053 3.429 . 0 0 "[ . 1 .]" 1
59 1 2 GLN HB2 1 3 PRO HD3 3.000 2.250 3.750 3.067 2.574 3.436 . 0 0 "[ . 1 .]" 1
60 1 2 GLN HB2 1 4 PRO HD3 4.100 3.080 5.120 3.741 3.525 3.884 . 0 0 "[ . 1 .]" 1
61 1 2 GLN HB3 1 3 PRO HA 3.500 2.620 4.380 4.130 4.055 4.220 . 0 0 "[ . 1 .]" 1
62 1 2 GLN HB3 1 3 PRO HD2 3.300 2.460 4.140 2.664 2.412 2.940 0.048 7 0 "[ . 1 .]" 1
63 1 2 GLN HB3 1 3 PRO HD3 3.900 2.930 4.870 3.481 2.849 4.090 0.081 9 0 "[ . 1 .]" 1
64 1 2 GLN HE22 1 2 GLN QG 2.700 2.020 3.380 2.517 2.283 2.665 . 0 0 "[ . 1 .]" 1
65 1 3 PRO HA 1 3 PRO QB 2.800 2.250 3.500 2.141 2.117 2.184 0.133 8 0 "[ . 1 .]" 1
66 1 3 PRO HA 1 3 PRO HD2 3.300 2.480 4.120 3.712 3.576 3.872 . 0 0 "[ . 1 .]" 1
67 1 3 PRO HA 1 3 PRO HD2 3.700 2.770 4.630 3.824 3.701 3.916 . 0 0 "[ . 1 .]" 1
68 1 3 PRO HA 1 3 PRO QG 3.600 2.700 4.500 3.418 3.226 3.523 . 0 0 "[ . 1 .]" 1
69 1 3 PRO HA 1 4 PRO HD3 2.300 . 2.870 2.040 1.808 2.229 . 0 0 "[ . 1 .]" 1
70 1 3 PRO HA 1 4 PRO HG3 3.800 2.850 4.750 4.132 3.700 4.314 . 0 0 "[ . 1 .]" 1
71 1 3 PRO HA 1 57 CYS HA 3.300 2.480 4.120 4.006 3.737 4.133 0.013 11 0 "[ . 1 .]" 1
72 1 3 PRO QB 1 3 PRO HD2 3.300 2.480 4.120 3.437 3.131 3.614 . 0 0 "[ . 1 .]" 1
73 1 3 PRO QB 1 4 PRO HD2 3.400 2.550 4.250 3.413 2.979 3.777 . 0 0 "[ . 1 .]" 1
74 1 3 PRO QB 1 5 TRP HE3 3.400 2.550 4.250 4.619 4.549 4.692 0.442 3 0 "[ . 1 .]" 1
75 1 3 PRO QB 1 57 CYS HA 3.200 2.400 4.000 3.899 3.793 3.986 . 0 0 "[ . 1 .]" 1
76 1 3 PRO QB 1 7 CYS HB2 2.700 2.020 3.380 2.633 2.065 2.974 . 0 0 "[ . 1 .]" 1
77 1 3 PRO QB 1 7 CYS HB2 2.700 2.020 3.380 2.231 1.874 2.595 0.146 13 0 "[ . 1 .]" 1
78 1 3 PRO QB 1 8 LYS QD 2.700 2.020 3.380 3.183 1.986 4.329 0.949 3 1 "[ + . 1 .]" 1
79 1 3 PRO QB 1 25 PHE QE 3.300 2.460 4.140 2.811 2.564 3.070 . 0 0 "[ . 1 .]" 1
80 1 3 PRO QB 1 25 PHE HZ 4.300 3.240 5.360 3.559 3.339 3.734 . 0 0 "[ . 1 .]" 1
81 1 3 PRO QB 1 27 TRP HZ3 3.800 2.850 4.750 2.853 2.590 3.126 0.260 9 0 "[ . 1 .]" 1
82 1 3 PRO QB 1 27 TRP HZ3 3.000 2.260 3.740 2.536 2.413 2.655 . 0 0 "[ . 1 .]" 1
83 1 3 PRO QB 1 57 CYS HA 3.300 2.460 4.140 4.258 3.973 4.396 0.256 8 0 "[ . 1 .]" 1
84 1 3 PRO HD2 1 3 PRO QG 2.900 2.180 3.620 2.221 2.135 2.310 0.045 15 0 "[ . 1 .]" 1
85 1 3 PRO HD3 1 3 PRO QG 3.100 2.320 3.880 2.258 2.148 2.349 0.172 14 0 "[ . 1 .]" 1
86 1 3 PRO HD3 1 3 PRO QG 2.400 . 3.000 2.006 1.822 2.161 . 0 0 "[ . 1 .]" 1
87 1 3 PRO QG 1 5 TRP HZ3 3.200 2.410 3.990 2.874 2.455 3.320 . 0 0 "[ . 1 .]" 1
88 1 3 PRO QG 1 27 TRP HE3 4.800 3.610 5.990 4.110 3.735 4.532 . 0 0 "[ . 1 .]" 1
89 1 3 PRO QG 1 27 TRP HZ2 4.300 3.240 5.360 3.950 3.184 5.041 0.056 11 0 "[ . 1 .]" 1
90 1 3 PRO QG 1 27 TRP HH2 3.900 2.930 4.870 3.040 2.473 3.639 0.457 13 0 "[ . 1 .]" 1
91 1 3 PRO QG 1 27 TRP HZ3 3.500 2.700 4.500 2.355 2.252 2.456 0.448 14 0 "[ . 1 .]" 1
92 1 3 PRO QG 1 27 TRP HZ3 3.300 2.460 4.140 2.308 2.222 2.398 0.238 14 0 "[ . 1 .]" 1
93 1 4 PRO HA 1 4 PRO HB2 3.200 2.390 4.010 2.931 2.748 3.102 . 0 0 "[ . 1 .]" 1
94 1 4 PRO HA 1 4 PRO HB3 2.500 . 3.140 2.421 2.338 2.506 . 0 0 "[ . 1 .]" 1
95 1 4 PRO HA 1 4 PRO HD3 3.000 2.250 3.750 3.860 3.785 4.089 0.339 9 0 "[ . 1 .]" 1
96 1 4 PRO HA 1 5 TRP H 2.700 . 3.400 3.405 3.285 3.464 0.064 7 0 "[ . 1 .]" 1
97 1 4 PRO HA 1 5 TRP HD1 4.500 3.360 5.640 5.246 4.873 5.466 . 0 0 "[ . 1 .]" 1
98 1 4 PRO HB2 1 4 PRO HD2 3.400 2.550 4.250 3.421 2.698 4.162 . 0 0 "[ . 1 .]" 1
99 1 4 PRO HB2 1 4 PRO HG2 3.000 2.240 3.760 2.461 2.335 2.537 . 0 0 "[ . 1 .]" 1
100 1 4 PRO HB2 1 5 TRP HD1 4.700 3.520 5.880 3.520 3.382 3.698 0.138 1 0 "[ . 1 .]" 1
101 1 4 PRO HB2 1 6 TYR H 3.600 2.700 4.500 4.134 3.572 4.469 . 0 0 "[ . 1 .]" 1
102 1 4 PRO HB2 1 6 TYR QD 3.500 2.620 4.380 3.860 3.184 4.478 0.098 3 0 "[ . 1 .]" 1
103 1 4 PRO HB3 1 5 TRP H 3.600 2.700 4.500 3.153 2.769 3.517 . 0 0 "[ . 1 .]" 1
104 1 4 PRO HB3 1 5 TRP HD1 4.800 3.600 6.000 4.427 3.573 5.226 0.027 2 0 "[ . 1 .]" 1
105 1 4 PRO HB3 1 6 TYR QD 4.300 3.210 5.390 5.001 4.877 5.273 . 0 0 "[ . 1 .]" 1
106 1 4 PRO HB3 1 6 TYR QE 3.000 2.260 3.740 3.808 3.593 3.954 0.214 4 0 "[ . 1 .]" 1
107 1 4 PRO HD2 1 4 PRO HG2 2.200 . 2.750 2.493 2.226 2.769 0.019 15 0 "[ . 1 .]" 1
108 1 4 PRO HD2 1 4 PRO HG2 2.500 . 3.120 2.199 2.027 2.340 . 0 0 "[ . 1 .]" 1
109 1 4 PRO HD2 1 4 PRO HG3 2.700 2.030 3.370 2.958 2.718 3.183 . 0 0 "[ . 1 .]" 1
110 1 4 PRO HD2 1 6 TYR QE 4.600 3.450 5.750 3.505 2.709 4.032 0.741 9 1 "[ . +1 .]" 1
111 1 4 PRO HD2 1 7 CYS H 3.800 2.850 4.750 3.863 3.426 4.435 . 0 0 "[ . 1 .]" 1
112 1 4 PRO HD2 1 57 CYS HA 2.700 2.020 3.380 3.514 3.432 3.638 0.258 10 0 "[ . 1 .]" 1
113 1 4 PRO HD3 1 4 PRO HG2 3.400 2.560 4.240 2.766 2.540 2.985 0.020 2 0 "[ . 1 .]" 1
114 1 4 PRO HD3 1 4 PRO HG3 2.400 . 3.000 2.045 2.024 2.128 . 0 0 "[ . 1 .]" 1
115 1 4 PRO HD3 1 57 CYS HA 3.700 2.770 4.630 4.177 3.469 4.446 . 0 0 "[ . 1 .]" 1
116 1 4 PRO HG2 1 6 TYR QE 3.800 2.860 4.740 2.578 2.001 2.807 0.859 12 2 "[ . - + .]" 1
117 1 5 TRP H 1 5 TRP HA 3.100 2.330 3.870 2.897 2.842 2.925 . 0 0 "[ . 1 .]" 1
118 1 5 TRP H 1 5 TRP HB2 3.300 2.480 4.120 3.784 3.642 3.849 . 0 0 "[ . 1 .]" 1
119 1 5 TRP H 1 5 TRP HB3 2.800 2.100 3.500 3.114 3.030 3.217 . 0 0 "[ . 1 .]" 1
120 1 5 TRP H 1 5 TRP HD1 2.700 2.020 3.380 2.924 2.757 3.067 . 0 0 "[ . 1 .]" 1
121 1 5 TRP H 1 6 TYR H 3.500 2.620 4.380 2.752 2.617 3.043 0.003 12 0 "[ . 1 .]" 1
122 1 5 TRP HA 1 5 TRP HB2 2.700 2.020 3.380 2.532 2.460 2.651 . 0 0 "[ . 1 .]" 1
123 1 5 TRP HA 1 5 TRP HB3 2.600 . 3.250 2.264 2.217 2.321 . 0 0 "[ . 1 .]" 1
124 1 5 TRP HA 1 5 TRP HD1 3.300 2.480 4.120 4.259 4.202 4.341 0.221 5 0 "[ . 1 .]" 1
125 1 5 TRP HA 1 5 TRP HE3 4.300 3.210 5.390 4.817 4.624 4.956 . 0 0 "[ . 1 .]" 1
126 1 5 TRP HA 1 8 LYS QB 3.900 2.930 4.870 3.797 3.265 4.304 . 0 0 "[ . 1 .]" 1
127 1 5 TRP HA 1 8 LYS QD 3.600 2.700 4.500 4.303 3.416 4.674 0.174 10 0 "[ . 1 .]" 1
128 1 5 TRP HA 1 8 LYS QG 4.700 3.520 5.880 5.208 3.812 5.637 . 0 0 "[ . 1 .]" 1
129 1 5 TRP HB2 1 5 TRP HD1 3.700 2.770 4.630 3.783 3.683 3.910 . 0 0 "[ . 1 .]" 1
130 1 5 TRP HB2 1 5 TRP HE3 2.800 2.110 3.490 2.943 2.545 3.207 . 0 0 "[ . 1 .]" 1
131 1 5 TRP HB3 1 5 TRP HD1 3.200 2.410 3.990 2.596 2.477 2.798 . 0 0 "[ . 1 .]" 1
132 1 5 TRP HB3 1 5 TRP HE3 3.500 2.630 4.370 4.328 3.950 4.521 0.151 8 0 "[ . 1 .]" 1
133 1 5 TRP HD1 1 6 TYR H 4.400 3.300 5.500 4.330 4.195 4.420 . 0 0 "[ . 1 .]" 1
134 1 5 TRP HD1 1 6 TYR QD 4.400 3.310 5.490 5.165 4.927 5.346 . 0 0 "[ . 1 .]" 1
135 1 5 TRP HE1 1 6 TYR QD 3.500 2.640 4.360 4.629 4.502 4.683 0.323 6 0 "[ . 1 .]" 1
136 1 5 TRP HE3 1 6 TYR HA 3.400 2.560 4.240 2.269 2.181 2.385 0.379 10 0 "[ . 1 .]" 1
137 1 5 TRP HE3 1 6 TYR HB2 4.800 3.610 5.990 4.444 4.099 4.671 . 0 0 "[ . 1 .]" 1
138 1 5 TRP HE3 1 6 TYR HB3 3.500 2.620 4.380 2.961 2.611 3.420 0.009 4 0 "[ . 1 .]" 1
139 1 5 TRP HE3 1 6 TYR QD 3.100 2.320 3.880 2.559 2.328 2.735 . 0 0 "[ . 1 .]" 1
140 1 5 TRP HE3 1 7 CYS HA 4.300 3.210 5.390 5.401 5.229 5.543 0.153 8 0 "[ . 1 .]" 1
141 1 5 TRP HE3 1 8 LYS QD 4.700 3.520 5.880 4.262 3.924 4.617 . 0 0 "[ . 1 .]" 1
142 1 5 TRP HE3 1 9 GLU QG 3.400 2.550 4.250 3.259 2.960 3.960 . 0 0 "[ . 1 .]" 1
143 1 5 TRP HE3 1 44 ALA MB 4.400 3.300 5.500 4.282 3.933 4.660 . 0 0 "[ . 1 .]" 1
144 1 5 TRP HE3 1 45 ASN HA 3.500 2.640 4.360 4.398 3.985 4.746 0.386 1 0 "[ . 1 .]" 1
145 1 5 TRP HE3 1 56 LYS QB 3.600 2.700 4.500 4.368 4.290 4.463 . 0 0 "[ . 1 .]" 1
146 1 5 TRP HE3 1 56 LYS QB 3.200 2.400 4.000 4.406 4.312 4.496 0.496 3 0 "[ . 1 .]" 1
147 1 5 TRP HH2 1 6 TYR HB3 5.200 3.800 6.600 5.719 5.343 6.255 . 0 0 "[ . 1 .]" 1
148 1 5 TRP HH2 1 8 LYS QE 4.500 3.300 5.700 5.159 4.171 5.670 . 0 0 "[ . 1 .]" 1
149 1 5 TRP HH2 1 9 GLU QG 4.300 3.220 5.380 4.922 4.485 5.204 . 0 0 "[ . 1 .]" 1
150 1 5 TRP HH2 1 38 SER H 4.000 3.000 5.000 4.290 3.529 4.948 . 0 0 "[ . 1 .]" 1
151 1 5 TRP HH2 1 44 ALA MB 3.600 2.710 4.490 2.972 2.443 3.728 0.267 8 0 "[ . 1 .]" 1
152 1 5 TRP HZ2 1 6 TYR QD 4.000 3.010 4.990 4.115 3.814 4.292 . 0 0 "[ . 1 .]" 1
153 1 5 TRP HZ2 1 44 ALA MB 4.000 3.000 5.000 4.629 3.321 5.087 0.087 4 0 "[ . 1 .]" 1
154 1 5 TRP HZ2 1 56 LYS HD3 3.600 2.700 4.500 4.662 4.600 4.803 0.303 8 0 "[ . 1 .]" 1
155 1 5 TRP HZ3 1 6 TYR HA 3.800 2.860 4.740 3.783 3.595 4.035 . 0 0 "[ . 1 .]" 1
156 1 5 TRP HZ3 1 6 TYR HA 3.200 2.400 4.000 3.226 3.075 3.301 . 0 0 "[ . 1 .]" 1
157 1 5 TRP HZ3 1 6 TYR HB3 4.500 3.370 5.630 4.105 3.588 4.536 . 0 0 "[ . 1 .]" 1
158 1 5 TRP HZ3 1 7 CYS HB2 5.100 3.830 6.370 4.367 3.858 4.577 . 0 0 "[ . 1 .]" 1
159 1 5 TRP HZ3 1 9 GLU QG 3.000 2.260 3.740 3.757 3.673 3.865 0.125 1 0 "[ . 1 .]" 1
160 1 5 TRP HZ3 1 44 ALA MB 4.100 3.080 5.120 2.907 2.775 3.067 0.305 1 0 "[ . 1 .]" 1
161 1 6 TYR H 1 6 TYR HB3 3.300 2.480 4.120 3.326 3.257 3.374 . 0 0 "[ . 1 .]" 1
162 1 6 TYR H 1 6 TYR QD 3.400 2.550 4.250 2.698 2.570 2.780 . 0 0 "[ . 1 .]" 1
163 1 6 TYR H 1 7 CYS H 2.900 2.180 3.620 3.310 3.137 3.432 . 0 0 "[ . 1 .]" 1
164 1 6 TYR HA 1 6 TYR HB2 2.500 . 3.120 3.052 3.010 3.091 . 0 0 "[ . 1 .]" 1
165 1 6 TYR HA 1 6 TYR HB3 2.400 . 3.000 2.331 2.280 2.405 . 0 0 "[ . 1 .]" 1
166 1 6 TYR HA 1 6 TYR QD 4.300 3.240 5.360 3.294 3.195 3.464 0.045 6 0 "[ . 1 .]" 1
167 1 6 TYR HA 1 8 LYS H 4.800 3.610 5.990 4.360 3.960 4.637 . 0 0 "[ . 1 .]" 1
168 1 6 TYR HA 1 9 GLU H 3.300 2.480 4.120 3.689 3.347 4.109 . 0 0 "[ . 1 .]" 1
169 1 6 TYR HA 1 44 ALA MB 4.400 3.300 5.500 5.533 5.240 5.693 0.193 1 0 "[ . 1 .]" 1
170 1 6 TYR HB2 1 6 TYR QD 2.900 2.110 3.690 2.281 2.102 2.545 0.008 5 0 "[ . 1 .]" 1
171 1 6 TYR HB2 1 6 TYR QE 4.100 3.080 5.120 4.373 4.297 4.507 . 0 0 "[ . 1 .]" 1
172 1 6 TYR HB3 1 6 TYR QD 2.500 . 3.130 2.457 2.301 2.529 . 0 0 "[ . 1 .]" 1
173 1 6 TYR HB3 1 6 TYR QE 3.400 2.560 4.240 3.104 2.840 3.410 . 0 0 "[ . 1 .]" 1
174 1 6 TYR HB3 1 25 PHE HB2 3.600 2.700 4.500 3.958 2.936 4.568 0.068 15 0 "[ . 1 .]" 1
175 1 6 TYR QD 1 7 CYS H 3.600 2.700 4.500 2.959 2.764 3.938 . 0 0 "[ . 1 .]" 1
176 1 6 TYR QD 1 7 CYS HA 3.800 2.860 4.740 5.016 4.869 5.228 0.488 5 0 "[ . 1 .]" 1
177 1 6 TYR QD 1 45 ASN HA 3.400 2.550 4.250 4.439 4.167 4.563 0.313 12 0 "[ . 1 .]" 1
178 1 6 TYR QE 1 44 ALA MB 4.800 3.300 6.300 5.677 3.467 6.086 . 0 0 "[ . 1 .]" 1
179 1 6 TYR QE 1 56 LYS QB 4.800 3.600 6.000 3.606 3.462 4.127 0.138 9 0 "[ . 1 .]" 1
180 1 6 TYR QE 1 56 LYS HD2 3.500 2.630 4.370 3.301 3.088 3.657 . 0 0 "[ . 1 .]" 1
181 1 6 TYR QE 1 56 LYS HG2 3.100 2.340 3.860 3.056 2.769 3.919 0.059 9 0 "[ . 1 .]" 1
182 1 7 CYS H 1 7 CYS HA 2.900 2.180 3.620 2.438 2.383 2.581 . 0 0 "[ . 1 .]" 1
183 1 7 CYS H 1 7 CYS HB2 2.700 2.020 3.380 2.841 2.739 2.952 . 0 0 "[ . 1 .]" 1
184 1 7 CYS H 1 7 CYS HB3 3.700 2.790 4.610 3.451 3.323 3.797 . 0 0 "[ . 1 .]" 1
185 1 7 CYS HA 1 7 CYS HB2 2.700 2.010 3.390 3.065 3.014 3.107 . 0 0 "[ . 1 .]" 1
186 1 7 CYS HA 1 7 CYS HB3 2.700 2.030 3.370 2.378 2.315 2.477 . 0 0 "[ . 1 .]" 1
187 1 7 CYS HA 1 9 GLU H 3.200 2.400 4.000 2.817 2.740 2.867 . 0 0 "[ . 1 .]" 1
188 1 7 CYS HA 1 20 PHE QD 3.600 2.700 4.500 3.923 3.474 4.310 . 0 0 "[ . 1 .]" 1
189 1 7 CYS HA 1 25 PHE HB2 3.200 2.400 4.000 3.932 3.464 4.470 0.470 5 0 "[ . 1 .]" 1
190 1 7 CYS HB2 1 29 ALA MB 3.100 2.320 3.880 3.087 2.202 3.679 0.118 13 0 "[ . 1 .]" 1
191 1 7 CYS HB2 1 8 LYS H 3.200 2.390 4.010 2.297 2.220 2.415 0.170 10 0 "[ . 1 .]" 1
192 1 7 CYS HB2 1 18 LYS QG 4.300 3.230 5.370 4.665 4.075 5.202 . 0 0 "[ . 1 .]" 1
193 1 7 CYS HB2 1 20 PHE QD 3.000 2.260 3.740 2.410 2.336 2.530 . 0 0 "[ . 1 .]" 1
194 1 7 CYS HB2 1 27 TRP HZ3 3.500 2.620 4.380 3.144 2.335 3.829 0.285 3 0 "[ . 1 .]" 1
195 1 7 CYS HB2 1 25 PHE QD 3.600 2.690 4.510 4.424 3.882 4.649 0.139 4 0 "[ . 1 .]" 1
196 1 7 CYS HB2 1 27 TRP HE3 3.900 2.940 4.860 3.260 2.920 4.005 0.020 9 0 "[ . 1 .]" 1
197 1 7 CYS HB3 1 25 PHE QD 2.800 2.090 3.510 2.801 2.406 3.093 . 0 0 "[ . 1 .]" 1
198 1 7 CYS HB3 1 25 PHE QE 3.700 2.770 4.630 3.487 3.063 3.834 . 0 0 "[ . 1 .]" 1
199 1 7 CYS HB3 1 27 TRP HE3 3.500 2.540 4.460 3.279 2.920 3.930 . 0 0 "[ . 1 .]" 1
200 1 7 CYS HB3 1 57 CYS HB3 3.500 2.620 4.380 2.993 2.609 3.505 0.011 4 0 "[ . 1 .]" 1
201 1 8 LYS H 1 8 LYS HA 4.000 3.000 5.000 2.942 2.906 2.982 0.094 2 0 "[ . 1 .]" 1
202 1 8 LYS H 1 8 LYS QB 3.700 2.770 4.630 2.363 2.077 2.570 0.693 11 6 "[ ** . *+ - *]" 1
203 1 8 LYS H 1 8 LYS QB 2.700 2.020 3.380 2.295 2.056 2.483 . 0 0 "[ . 1 .]" 1
204 1 8 LYS H 1 8 LYS QD 3.300 2.480 4.120 2.447 2.242 2.513 0.238 7 0 "[ . 1 .]" 1
205 1 8 LYS H 1 8 LYS QG 3.300 2.480 4.120 2.876 2.226 3.905 0.254 6 0 "[ . 1 .]" 1
206 1 8 LYS HA 1 8 LYS QB 2.600 2.320 3.250 2.431 2.351 2.526 . 0 0 "[ . 1 .]" 1
207 1 8 LYS HA 1 8 LYS QD 4.200 3.150 5.250 4.231 4.055 4.428 . 0 0 "[ . 1 .]" 1
208 1 8 LYS HA 1 8 LYS QG 3.600 2.700 3.620 2.615 2.469 2.701 0.231 1 0 "[ . 1 .]" 1
209 1 8 LYS HA 1 27 TRP HB3 2.500 . 3.110 3.260 2.821 3.930 0.820 13 2 "[ -. 1 + .]" 1
210 1 8 LYS HA 1 27 TRP HD1 3.900 2.920 4.880 4.021 3.819 4.168 . 0 0 "[ . 1 .]" 1
211 1 8 LYS HA 1 27 TRP HE3 3.500 2.600 4.400 4.329 3.539 4.591 0.191 1 0 "[ . 1 .]" 1
212 1 8 LYS QB 1 8 LYS QE 3.400 2.550 4.250 2.849 2.081 3.715 0.469 5 0 "[ . 1 .]" 1
213 1 8 LYS QE 1 8 LYS QG 3.300 2.620 4.140 2.621 2.395 2.926 0.225 6 0 "[ . 1 .]" 1
214 1 9 GLU H 1 9 GLU QB 2.400 . 3.000 2.237 2.101 2.332 . 0 0 "[ . 1 .]" 1
215 1 9 GLU H 1 45 ASN HD21 3.500 3.200 3.800 3.774 3.438 3.928 0.128 10 0 "[ . 1 .]" 1
216 1 9 GLU HA 1 9 GLU QG 2.400 2.010 3.000 2.666 2.233 2.875 . 0 0 "[ . 1 .]" 1
217 1 9 GLU HA 1 10 PRO QD 2.100 . 2.630 1.906 1.862 1.964 0.028 5 0 "[ . 1 .]" 1
218 1 9 GLU HA 1 10 PRO QD 2.000 . 2.500 1.867 1.811 1.943 . 0 0 "[ . 1 .]" 1
219 1 9 GLU HA 1 10 PRO HG2 4.700 3.100 6.300 4.602 4.530 4.694 . 0 0 "[ . 1 .]" 1
220 1 9 GLU HA 1 10 PRO HG3 3.300 2.480 4.120 4.037 3.884 4.249 0.129 8 0 "[ . 1 .]" 1
221 1 9 GLU QB 1 43 ASN HD22 3.000 2.250 3.750 3.458 2.569 3.786 0.036 10 0 "[ . 1 .]" 1
222 1 9 GLU QB 1 43 ASN HD22 3.300 2.480 4.120 3.374 3.233 3.510 . 0 0 "[ . 1 .]" 1
223 1 9 GLU QB 1 45 ASN HB3 3.100 2.320 3.880 3.355 2.418 3.819 . 0 0 "[ . 1 .]" 1
224 1 9 GLU QG 1 10 PRO QD . 2.690 3.380 2.420 1.969 2.766 0.721 8 1 "[ . + 1 .]" 1
225 1 9 GLU QG 1 10 PRO QD 3.400 2.550 4.250 2.419 1.969 2.763 0.581 8 1 "[ . + 1 .]" 1
226 1 9 GLU QG 1 43 ASN HD22 3.100 2.320 3.880 3.513 2.584 3.850 . 0 0 "[ . 1 .]" 1
227 1 10 PRO HA 1 10 PRO QD 2.800 2.100 3.500 3.338 3.286 3.472 . 0 0 "[ . 1 .]" 1
228 1 10 PRO HA 1 10 PRO HG2 3.000 2.200 3.800 3.909 3.872 3.969 0.169 3 0 "[ . 1 .]" 1
229 1 10 PRO QB 1 10 PRO QD 3.500 2.620 4.380 2.519 2.421 2.842 0.199 4 0 "[ . 1 .]" 1
230 1 10 PRO QB 1 11 VAL H 4.500 3.370 5.630 3.434 3.177 3.690 0.193 5 0 "[ . 1 .]" 1
231 1 10 PRO QB 1 11 VAL H 3.400 2.550 4.250 3.255 3.069 3.425 . 0 0 "[ . 1 .]" 1
232 1 10 PRO QD 1 10 PRO HG2 2.800 2.100 3.500 2.280 2.177 2.315 . 0 0 "[ . 1 .]" 1
233 1 10 PRO QD 1 10 PRO HG2 2.800 2.100 3.500 2.251 2.161 2.293 . 0 0 "[ . 1 .]" 1
234 1 10 PRO QD 1 10 PRO HG3 2.900 2.560 3.620 2.341 2.217 2.401 0.343 8 0 "[ . 1 .]" 1
235 1 10 PRO QD 1 43 ASN HD21 3.900 2.930 4.870 4.084 2.881 4.796 0.049 6 0 "[ . 1 .]" 1
236 1 11 VAL H 1 11 VAL HA 2.800 2.100 3.500 2.778 2.744 2.819 . 0 0 "[ . 1 .]" 1
237 1 11 VAL H 1 11 VAL HB 2.700 2.020 3.380 2.580 2.301 3.466 0.086 3 0 "[ . 1 .]" 1
238 1 11 VAL H 1 11 VAL QG 2.500 . 3.120 2.032 1.785 2.411 0.095 3 0 "[ . 1 .]" 1
239 1 11 VAL HA 1 11 VAL HB 2.700 2.020 3.380 2.425 2.330 2.886 . 0 0 "[ . 1 .]" 1
240 1 11 VAL HA 1 11 VAL QG . 2.620 3.250 2.221 1.982 2.332 0.638 3 2 "[ + . - 1 .]" 1
241 1 11 VAL HA 1 12 ARG H 2.300 . 2.870 2.173 1.933 2.297 . 0 0 "[ . 1 .]" 1
242 1 11 VAL HA 1 24 TYR QE 4.700 3.520 5.880 5.142 4.495 5.502 . 0 0 "[ . 1 .]" 1
243 1 11 VAL HA 1 45 ASN HD21 3.400 2.550 4.250 3.180 2.413 3.545 0.137 3 0 "[ . 1 .]" 1
244 1 11 VAL HB 1 24 TYR QB 3.600 2.690 4.510 3.600 2.953 4.521 0.011 5 0 "[ . 1 .]" 1
245 1 11 VAL HB 1 24 TYR QD 3.000 2.240 3.760 3.297 2.889 3.937 0.177 3 0 "[ . 1 .]" 1
246 1 11 VAL HB 1 24 TYR QE 3.300 2.480 4.120 3.775 2.908 4.282 0.162 3 0 "[ . 1 .]" 1
247 1 11 VAL MG1 1 11 VAL MG2 2.400 . 3.000 2.196 2.166 2.317 . 0 0 "[ . 1 .]" 1
248 1 11 VAL QG 1 12 ARG H 2.800 2.100 3.500 2.447 2.159 2.747 . 0 0 "[ . 1 .]" 1
249 1 11 VAL QG 1 12 ARG HA 3.600 3.000 4.500 3.757 3.565 4.195 . 0 0 "[ . 1 .]" 1
250 1 11 VAL QG 1 12 ARG HB2 3.800 2.850 4.750 4.402 4.044 4.682 . 0 0 "[ . 1 .]" 1
251 1 11 VAL QG 1 13 ILE H 4.000 3.000 5.000 4.438 4.037 4.846 . 0 0 "[ . 1 .]" 1
252 1 11 VAL QG 1 24 TYR HA 4.600 3.450 5.750 4.906 4.012 5.671 . 0 0 "[ . 1 .]" 1
253 1 11 VAL QG 1 24 TYR QB 3.000 2.250 3.750 2.779 2.078 3.448 0.172 3 0 "[ . 1 .]" 1
254 1 11 VAL QG 1 24 TYR QD . 3.000 3.640 2.643 2.136 3.091 0.864 3 2 "[- + . 1 .]" 1
255 1 11 VAL QG 1 24 TYR QE 3.400 2.860 4.240 2.852 2.464 3.508 0.396 6 0 "[ . 1 .]" 1
256 1 11 VAL QG 1 35 PHE HB2 3.600 2.700 4.500 3.684 2.761 4.432 . 0 0 "[ . 1 .]" 1
257 1 11 VAL QG 1 35 PHE HB3 3.600 2.700 4.500 3.335 2.614 4.016 0.086 5 0 "[ . 1 .]" 1
258 1 11 VAL QG 1 35 PHE QD 3.000 2.240 3.760 2.933 2.629 3.245 . 0 0 "[ . 1 .]" 1
259 1 11 VAL QG 1 35 PHE QE 3.200 2.390 4.010 2.885 2.697 3.379 . 0 0 "[ . 1 .]" 1
260 1 12 ARG H 1 12 ARG HB2 3.300 2.460 4.140 2.554 2.291 2.762 0.169 8 0 "[ . 1 .]" 1
261 1 12 ARG H 1 12 ARG HB3 3.300 2.460 4.140 3.707 3.456 3.881 . 0 0 "[ . 1 .]" 1
262 1 12 ARG HA 1 12 ARG HB2 2.900 2.190 3.610 3.026 2.892 3.106 . 0 0 "[ . 1 .]" 1
263 1 12 ARG HA 1 12 ARG HB3 3.200 2.400 4.000 2.585 2.448 2.792 . 0 0 "[ . 1 .]" 1
264 1 12 ARG HA 1 12 ARG QD 2.600 . 3.260 3.203 2.140 3.854 0.594 4 1 "[ +. 1 .]" 1
265 1 12 ARG HA 1 12 ARG HG3 2.400 . 3.000 3.436 2.926 3.960 0.960 1 5 "[+ . *- **.]" 1
266 1 12 ARG HA 1 13 ILE H 2.100 . 2.630 2.421 2.227 2.663 0.033 11 0 "[ . 1 .]" 1
267 1 12 ARG HB2 1 19 GLN HA 2.300 . 2.890 2.093 1.932 2.272 . 0 0 "[ . 1 .]" 1
268 1 12 ARG HB2 1 24 TYR QD 3.800 2.850 4.750 3.927 3.376 4.850 0.100 10 0 "[ . 1 .]" 1
269 1 12 ARG HB2 1 35 PHE QE 3.900 2.940 4.860 4.688 3.261 5.256 0.396 9 0 "[ . 1 .]" 1
270 1 12 ARG HB2 1 35 PHE QE 3.600 2.700 4.500 4.346 3.237 4.752 0.252 8 0 "[ . 1 .]" 1
271 1 12 ARG HB2 1 43 ASN H 3.700 2.770 4.630 3.241 2.719 4.405 0.051 6 0 "[ . 1 .]" 1
272 1 12 ARG HB3 1 22 SER HB3 4.100 3.080 5.120 3.550 2.801 5.052 0.279 2 0 "[ . 1 .]" 1
273 1 12 ARG HB3 1 43 ASN H 3.600 2.700 4.500 4.306 3.567 4.881 0.381 9 0 "[ . 1 .]" 1
274 1 12 ARG HB3 1 43 ASN HB3 4.700 3.520 5.880 5.159 4.039 6.288 0.408 8 0 "[ . 1 .]" 1
275 1 12 ARG QD 1 12 ARG HE 3.500 2.640 4.360 2.470 2.338 2.602 0.302 8 0 "[ . 1 .]" 1
276 1 12 ARG QD 1 12 ARG HG2 2.500 . 3.120 2.351 2.138 2.466 . 0 0 "[ . 1 .]" 1
277 1 12 ARG QD 1 13 ILE H 4.600 3.450 5.750 4.612 3.775 5.417 . 0 0 "[ . 1 .]" 1
278 1 12 ARG QD 1 14 GLY H 3.900 2.930 4.870 4.126 3.802 4.494 . 0 0 "[ . 1 .]" 1
279 1 12 ARG QD 1 21 SER HA 3.300 2.480 4.120 3.759 2.737 4.124 0.004 11 0 "[ . 1 .]" 1
280 1 12 ARG QD 1 42 GLY HA2 3.300 2.480 4.120 3.878 2.748 4.326 0.206 10 0 "[ . 1 .]" 1
281 1 12 ARG HE 1 12 ARG HG3 4.500 3.370 5.630 3.372 2.464 4.036 0.906 10 3 "[ . +* -.]" 1
282 1 12 ARG HG2 1 43 ASN HD21 3.900 2.930 4.870 3.945 2.845 4.977 0.107 9 0 "[ . 1 .]" 1
283 1 12 ARG HG3 1 14 GLY H 3.300 2.480 4.120 3.630 3.499 3.787 . 0 0 "[ . 1 .]" 1
284 1 12 ARG HG3 1 43 ASN HD21 3.100 2.310 3.890 3.017 2.232 3.965 0.078 3 0 "[ . 1 .]" 1
285 1 12 ARG HG3 1 43 ASN HD22 3.100 2.320 3.880 3.261 2.420 4.066 0.186 2 0 "[ . 1 .]" 1
286 1 12 ARG HG3 1 46 ARG QH 2.700 2.020 3.380 3.488 2.604 3.973 0.593 10 1 "[ . + .]" 1
287 1 13 ILE H 1 13 ILE HA 3.100 2.320 3.880 2.894 2.707 2.966 . 0 0 "[ . 1 .]" 1
288 1 13 ILE H 1 13 ILE HB 2.500 . 3.120 2.828 2.503 3.317 0.197 11 0 "[ . 1 .]" 1
289 1 13 ILE H 1 13 ILE MD 4.300 3.000 5.600 4.745 4.525 5.181 . 0 0 "[ . 1 .]" 1
290 1 13 ILE H 1 13 ILE QG 3.000 2.240 3.760 4.001 3.954 4.066 0.306 11 0 "[ . 1 .]" 1
291 1 13 ILE H 1 13 ILE MG 3.600 2.600 4.600 2.549 2.379 3.544 0.221 1 0 "[ . 1 .]" 1
292 1 13 ILE H 1 14 GLY H 2.300 . 2.870 2.284 1.740 2.726 . 0 0 "[ . 1 .]" 1
293 1 13 ILE HA 1 13 ILE HB 2.600 . 3.250 2.355 2.243 2.621 . 0 0 "[ . 1 .]" 1
294 1 13 ILE HA 1 13 ILE MD 4.000 3.000 5.000 3.353 3.109 3.491 . 0 0 "[ . 1 .]" 1
295 1 13 ILE HA 1 13 ILE QG 2.500 . 3.120 2.006 1.898 2.075 . 0 0 "[ . 1 .]" 1
296 1 13 ILE HA 1 13 ILE MG 2.700 2.020 3.380 3.110 3.035 3.167 . 0 0 "[ . 1 .]" 1
297 1 13 ILE HA 1 13 ILE MG 2.500 . 3.120 3.244 3.151 3.276 0.156 13 0 "[ . 1 .]" 1
298 1 13 ILE HA 1 14 GLY H 3.400 2.550 4.250 3.461 3.307 3.630 . 0 0 "[ . 1 .]" 1
299 1 13 ILE HA 1 37 PHE H 3.700 2.770 4.630 3.505 3.317 3.641 . 0 0 "[ . 1 .]" 1
300 1 13 ILE HA 1 37 PHE HB3 4.100 3.080 5.120 4.912 4.707 5.133 0.013 5 0 "[ . 1 .]" 1
301 1 13 ILE HA 1 35 PHE QD 3.400 2.540 4.260 3.758 3.341 4.095 . 0 0 "[ . 1 .]" 1
302 1 13 ILE HA 1 35 PHE QE 2.900 . 3.910 2.608 2.215 3.472 . 0 0 "[ . 1 .]" 1
303 1 13 ILE HA 1 35 PHE HZ 4.100 3.080 5.120 3.294 3.061 3.567 0.019 13 0 "[ . 1 .]" 1
304 1 13 ILE HA 1 35 PHE HZ 4.800 3.600 6.000 4.435 3.758 4.950 . 0 0 "[ . 1 .]" 1
305 1 13 ILE HA 1 37 PHE QD 4.000 3.000 5.000 3.433 3.175 3.746 . 0 0 "[ . 1 .]" 1
306 1 13 ILE HB 1 14 GLY H 3.100 2.310 3.890 4.007 3.789 4.112 0.222 6 0 "[ . 1 .]" 1
307 1 13 ILE HB 1 25 PHE QE 3.100 2.320 3.880 3.045 2.711 3.742 . 0 0 "[ . 1 .]" 1
308 1 13 ILE HB 1 35 PHE QD 3.600 2.700 4.500 3.088 2.720 3.923 . 0 0 "[ . 1 .]" 1
309 1 13 ILE MD 1 19 GLN HB3 2.100 . 2.630 2.771 2.136 2.987 0.357 6 0 "[ . 1 .]" 1
310 1 13 ILE MD 1 35 PHE QD 2.500 . 3.140 3.221 3.156 3.316 0.176 5 0 "[ . 1 .]" 1
311 1 13 ILE MD 1 35 PHE QE 4.600 3.450 5.750 4.354 3.951 4.671 . 0 0 "[ . 1 .]" 1
312 1 13 ILE QG 1 35 PHE QD 2.600 . 3.260 3.340 2.571 3.517 0.257 11 0 "[ . 1 .]" 1
313 1 13 ILE QG 1 35 PHE QE 3.200 2.400 4.000 2.915 2.047 3.500 0.353 5 0 "[ . 1 .]" 1
314 1 13 ILE MG 1 14 GLY H 3.500 2.640 4.360 2.473 2.382 2.576 0.258 2 0 "[ . 1 .]" 1
315 1 13 ILE MG 1 19 GLN HE21 3.200 2.400 4.000 2.834 2.022 3.674 0.378 5 0 "[ . 1 .]" 1
316 1 13 ILE MG 1 35 PHE QD 3.100 2.320 3.880 4.180 4.069 4.342 0.462 5 0 "[ . 1 .]" 1
317 1 13 ILE MG 1 38 SER H 3.400 2.550 4.250 4.409 4.314 4.532 0.282 14 0 "[ . 1 .]" 1
318 1 14 GLY H 1 14 GLY HA2 2.700 2.010 3.390 2.375 2.306 2.535 . 0 0 "[ . 1 .]" 1
319 1 14 GLY H 1 14 GLY HA3 3.300 2.480 4.120 2.937 2.772 2.997 . 0 0 "[ . 1 .]" 1
320 1 14 GLY HA2 1 15 SER H 3.500 2.610 4.390 3.125 2.317 3.644 0.293 4 0 "[ . 1 .]" 1
321 1 14 GLY HA3 1 15 SER H 2.900 2.180 3.620 2.534 2.409 2.933 . 0 0 "[ . 1 .]" 1
322 1 14 GLY HA3 1 41 GLY HA3 3.500 2.620 4.380 2.759 2.078 3.933 0.542 4 2 "[ +. 1 -.]" 1
323 1 15 SER H 1 16 CYS H 3.000 2.240 3.760 2.928 2.196 3.873 0.113 9 0 "[ . 1 .]" 1
324 1 16 CYS H 1 16 CYS HA 3.000 2.250 3.750 2.916 2.729 2.986 . 0 0 "[ . 1 .]" 1
325 1 16 CYS H 1 16 CYS QB 2.800 2.100 3.500 2.581 2.165 3.386 . 0 0 "[ . 1 .]" 1
326 1 16 CYS H 1 38 SER HB2 3.100 2.320 3.880 3.278 2.239 3.987 0.107 5 0 "[ . 1 .]" 1
327 1 16 CYS HA 1 16 CYS QB 3.300 2.480 4.120 2.462 2.184 2.632 0.296 1 0 "[ . 1 .]" 1
328 1 16 CYS HA 1 16 CYS QB 2.400 . 3.000 2.186 2.015 2.306 . 0 0 "[ . 1 .]" 1
329 1 16 CYS HA 1 17 LYS H 2.700 2.020 3.380 3.111 2.341 3.555 0.175 9 0 "[ . 1 .]" 1
330 1 16 CYS HA 1 17 LYS HG2 3.900 2.930 4.870 4.174 3.194 4.891 0.021 7 0 "[ . 1 .]" 1
331 1 16 CYS QB 1 17 LYS H 2.500 2.310 3.110 2.181 1.983 2.890 0.327 13 0 "[ . 1 .]" 1
332 1 16 CYS QB 1 40 CYS H 3.000 2.240 3.760 2.587 1.865 3.831 0.375 9 0 "[ . 1 .]" 1
333 1 17 LYS H 1 17 LYS HA 3.000 2.250 3.750 2.931 2.833 2.986 . 0 0 "[ . 1 .]" 1
334 1 17 LYS H 1 17 LYS QB 2.700 2.020 3.380 2.478 2.369 2.702 . 0 0 "[ . 1 .]" 1
335 1 17 LYS H 1 17 LYS QD 3.800 2.800 4.800 3.862 3.424 4.421 . 0 0 "[ . 1 .]" 1
336 1 17 LYS H 1 17 LYS HG2 3.400 2.550 4.250 2.693 2.226 3.258 0.324 11 0 "[ . 1 .]" 1
337 1 17 LYS H 1 17 LYS HG3 3.800 2.200 5.400 3.840 2.752 4.441 . 0 0 "[ . 1 .]" 1
338 1 17 LYS H 1 18 LYS H 3.000 2.260 3.740 3.103 2.615 3.683 . 0 0 "[ . 1 .]" 1
339 1 17 LYS HA 1 17 LYS QB 2.100 . 2.630 2.158 2.029 2.242 . 0 0 "[ . 1 .]" 1
340 1 17 LYS HA 1 17 LYS QD 2.500 . 3.120 2.371 2.176 3.260 0.140 4 0 "[ . 1 .]" 1
341 1 17 LYS HA 1 17 LYS HG2 3.200 2.400 4.000 3.096 2.175 3.410 0.225 4 0 "[ . 1 .]" 1
342 1 17 LYS HA 1 17 LYS HG3 2.400 . 3.000 2.634 2.365 3.129 0.129 3 0 "[ . 1 .]" 1
343 1 17 LYS HA 1 20 PHE QD 3.900 2.930 4.870 3.399 3.062 3.698 . 0 0 "[ . 1 .]" 1
344 1 17 LYS QB 1 17 LYS QE 2.700 2.020 3.380 2.804 2.189 3.501 0.121 1 0 "[ . 1 .]" 1
345 1 17 LYS QB 1 17 LYS QE 2.700 2.020 3.380 2.430 1.939 3.167 0.081 9 0 "[ . 1 .]" 1
346 1 17 LYS QB 1 20 PHE QE 3.000 2.250 3.750 2.764 2.140 3.747 0.110 2 0 "[ . 1 .]" 1
347 1 17 LYS QE 1 17 LYS HG2 3.500 2.620 4.380 2.456 2.213 2.744 0.407 11 0 "[ . 1 .]" 1
348 1 17 LYS QE 1 20 PHE QE 3.200 2.400 4.000 3.608 2.376 4.059 0.059 13 0 "[ . 1 .]" 1
349 1 17 LYS HG2 1 39 GLY HA3 2.100 . 2.630 2.647 2.454 2.750 0.120 13 0 "[ . 1 .]" 1
350 1 17 LYS HG3 1 18 LYS H 3.400 2.550 4.250 3.679 2.626 4.180 . 0 0 "[ . 1 .]" 1
351 1 17 LYS HG3 1 26 LYS HA 3.000 2.250 3.750 3.557 2.481 4.152 0.402 1 0 "[ . 1 .]" 1
352 1 18 LYS H 1 18 LYS HA 3.400 2.550 4.250 2.906 2.858 2.973 . 0 0 "[ . 1 .]" 1
353 1 18 LYS H 1 18 LYS QB 2.900 2.180 3.620 2.741 2.371 3.403 . 0 0 "[ . 1 .]" 1
354 1 18 LYS H 1 25 PHE HB3 3.000 2.260 3.740 2.530 2.268 2.653 . 0 0 "[ . 1 .]" 1
355 1 18 LYS H 1 38 SER HA 3.100 2.320 3.880 3.540 2.890 4.064 0.184 11 0 "[ . 1 .]" 1
356 1 18 LYS HA 1 19 GLN H 2.700 2.020 3.380 2.635 2.205 3.338 . 0 0 "[ . 1 .]" 1
357 1 18 LYS QB 1 20 PHE QE 2.900 2.170 3.630 2.530 2.297 3.076 . 0 0 "[ . 1 .]" 1
358 1 18 LYS QB 1 19 GLN H 3.300 2.480 4.120 3.272 2.300 3.944 0.180 14 0 "[ . 1 .]" 1
359 1 18 LYS QB 1 20 PHE QE 3.300 2.480 4.120 3.437 2.469 4.274 0.154 14 0 "[ . 1 .]" 1
360 1 18 LYS QG 1 19 GLN H 2.500 . 3.120 2.384 1.606 3.127 0.274 15 0 "[ . 1 .]" 1
361 1 18 LYS QG 1 19 GLN H 2.500 . 3.120 2.321 1.606 3.022 0.274 15 0 "[ . 1 .]" 1
362 1 18 LYS QG 1 19 GLN HE22 4.400 3.300 5.500 3.965 3.438 4.406 . 0 0 "[ . 1 .]" 1
363 1 18 LYS QG 1 20 PHE QD 2.700 2.010 3.390 2.521 2.188 2.893 . 0 0 "[ . 1 .]" 1
364 1 18 LYS QG 1 20 PHE QE 2.700 2.480 3.390 2.690 2.343 3.170 0.137 14 0 "[ . 1 .]" 1
365 1 18 LYS QG 1 20 PHE QE 2.600 . 3.250 2.331 1.991 2.649 . 0 0 "[ . 1 .]" 1
366 1 18 LYS QG 1 20 PHE QE 2.600 . 3.250 2.534 2.264 2.818 . 0 0 "[ . 1 .]" 1
367 1 19 GLN H 1 19 GLN HA 3.600 2.700 4.500 2.909 2.828 2.947 . 0 0 "[ . 1 .]" 1
368 1 19 GLN H 1 19 GLN HB2 4.300 3.210 5.390 3.175 2.932 3.698 0.278 11 0 "[ . 1 .]" 1
369 1 19 GLN H 1 19 GLN HB3 2.900 2.180 3.620 3.841 3.726 4.004 0.384 14 0 "[ . 1 .]" 1
370 1 19 GLN H 1 19 GLN HG3 4.100 3.080 5.120 3.130 2.898 3.493 0.182 6 0 "[ . 1 .]" 1
371 1 19 GLN HA 1 19 GLN HB2 2.600 . 3.250 3.038 2.917 3.139 . 0 0 "[ . 1 .]" 1
372 1 19 GLN HA 1 20 PHE H 2.800 . 3.600 2.216 2.058 2.344 . 0 0 "[ . 1 .]" 1
373 1 19 GLN HA 1 20 PHE HA 3.400 2.550 4.250 3.937 3.878 4.006 . 0 0 "[ . 1 .]" 1
374 1 19 GLN HA 1 36 LEU HB3 3.200 2.390 4.010 3.405 2.881 3.947 . 0 0 "[ . 1 .]" 1
375 1 19 GLN HA 1 38 SER HA 2.700 . 3.400 2.679 2.203 3.470 0.070 7 0 "[ . 1 .]" 1
376 1 19 GLN HB3 1 36 LEU QD . 2.480 3.000 2.722 2.173 3.229 0.307 10 0 "[ . 1 .]" 1
377 1 19 GLN HE22 1 19 GLN HG3 4.800 3.600 6.000 3.758 3.556 4.113 0.044 14 0 "[ . 1 .]" 1
378 1 19 GLN QG 1 36 LEU QD 3.600 2.700 4.500 3.135 2.499 3.826 0.201 12 0 "[ . 1 .]" 1
379 1 19 GLN HG3 1 36 LEU QD 3.400 2.550 4.250 3.643 2.594 4.793 0.543 4 1 "[ +. 1 .]" 1
380 1 20 PHE H 1 20 PHE HA 3.100 2.320 3.880 2.960 2.928 2.990 . 0 0 "[ . 1 .]" 1
381 1 20 PHE H 1 20 PHE HB2 2.800 2.100 3.500 2.596 2.328 2.806 . 0 0 "[ . 1 .]" 1
382 1 20 PHE H 1 20 PHE HB3 3.700 2.770 4.630 3.696 3.623 3.771 . 0 0 "[ . 1 .]" 1
383 1 20 PHE H 1 20 PHE QD 3.800 2.840 4.760 3.046 2.771 3.372 0.069 9 0 "[ . 1 .]" 1
384 1 20 PHE H 1 37 PHE H 3.200 2.390 4.010 2.794 2.563 3.177 . 0 0 "[ . 1 .]" 1
385 1 20 PHE HA 1 20 PHE HB2 3.000 2.240 3.760 3.090 3.075 3.112 . 0 0 "[ . 1 .]" 1
386 1 20 PHE HA 1 20 PHE HB3 2.400 . 2.990 2.476 2.360 2.649 . 0 0 "[ . 1 .]" 1
387 1 20 PHE HA 1 20 PHE HB3 2.200 . 2.750 2.262 2.185 2.371 . 0 0 "[ . 1 .]" 1
388 1 20 PHE HA 1 20 PHE QD 3.000 2.250 3.750 2.623 2.293 2.897 . 0 0 "[ . 1 .]" 1
389 1 20 PHE HA 1 21 SER H 2.300 . 2.870 2.394 2.277 2.535 . 0 0 "[ . 1 .]" 1
390 1 20 PHE HB3 1 20 PHE QD 3.600 2.710 4.490 2.631 2.487 2.784 0.223 12 0 "[ . 1 .]" 1
391 1 20 PHE HB3 1 21 SER H 3.700 2.770 4.630 3.165 2.826 3.459 . 0 0 "[ . 1 .]" 1
392 1 20 PHE QD 1 39 GLY HA2 3.600 2.400 4.800 3.990 3.536 4.505 . 0 0 "[ . 1 .]" 1
393 1 20 PHE QD 1 39 GLY HA3 3.600 2.700 4.500 4.176 3.566 4.812 0.312 12 0 "[ . 1 .]" 1
394 1 20 PHE QE 1 39 GLY HA2 3.400 2.560 4.240 3.984 3.796 4.093 . 0 0 "[ . 1 .]" 1
395 1 20 PHE QE 1 39 GLY HA3 3.200 2.410 3.990 3.319 2.575 4.234 0.244 9 0 "[ . 1 .]" 1
396 1 21 SER H 1 21 SER HA 3.000 2.250 3.750 2.836 2.787 2.898 . 0 0 "[ . 1 .]" 1
397 1 21 SER H 1 21 SER HB2 3.000 2.250 3.750 2.468 2.288 2.619 . 0 0 "[ . 1 .]" 1
398 1 21 SER H 1 21 SER HB3 3.400 2.560 4.240 2.768 2.607 2.855 . 0 0 "[ . 1 .]" 1
399 1 21 SER H 1 36 LEU QD 3.900 2.930 4.870 3.445 3.122 3.818 . 0 0 "[ . 1 .]" 1
400 1 21 SER HA 1 21 SER HB3 2.700 2.040 3.360 3.070 3.031 3.110 . 0 0 "[ . 1 .]" 1
401 1 21 SER HA 1 22 SER H 2.500 . 3.400 2.154 2.029 2.287 . 0 0 "[ . 1 .]" 1
402 1 21 SER HA 1 36 LEU HA 2.500 . 3.110 2.655 2.215 3.237 0.127 9 0 "[ . 1 .]" 1
403 1 21 SER HA 1 36 LEU QD 2.600 . 3.250 2.374 1.988 3.007 . 0 0 "[ . 1 .]" 1
404 1 21 SER HB2 1 23 PHE QE 4.800 3.600 6.000 4.961 4.506 5.710 . 0 0 "[ . 1 .]" 1
405 1 21 SER HB2 1 33 LEU QD 4.300 3.230 5.370 2.819 2.509 3.042 0.721 11 4 "[ *. 1+- *.]" 1
406 1 21 SER HB2 1 36 LEU QD 3.900 2.930 4.870 3.144 2.627 3.696 0.303 11 0 "[ . 1 .]" 1
407 1 21 SER HB3 1 23 PHE QE 4.100 3.080 5.120 3.550 3.064 4.310 0.016 7 0 "[ . 1 .]" 1
408 1 21 SER HB3 1 36 LEU HG 3.400 2.550 4.250 3.811 2.504 4.772 0.522 4 1 "[ +. 1 .]" 1
409 1 22 SER H 1 22 SER HB2 2.700 2.020 3.380 2.791 2.739 2.865 . 0 0 "[ . 1 .]" 1
410 1 22 SER H 1 22 SER HB3 3.000 2.250 3.750 3.093 2.373 3.451 . 0 0 "[ . 1 .]" 1
411 1 22 SER H 1 35 PHE H 2.900 2.180 3.620 3.347 2.937 3.697 0.077 5 0 "[ . 1 .]" 1
412 1 22 SER H 1 36 LEU QD 3.300 2.480 4.120 2.839 2.470 3.333 0.010 11 0 "[ . 1 .]" 1
413 1 22 SER H 1 37 PHE H 2.800 2.100 3.500 3.723 3.516 3.872 0.372 14 0 "[ . 1 .]" 1
414 1 22 SER H 1 36 LEU QD 3.000 2.250 3.750 3.409 2.838 3.791 0.041 4 0 "[ . 1 .]" 1
415 1 22 SER H 1 36 LEU HG 2.900 2.180 3.620 2.515 2.064 3.297 0.116 6 0 "[ . 1 .]" 1
416 1 22 SER HA 1 22 SER HB2 2.700 2.010 3.390 2.538 2.305 2.722 . 0 0 "[ . 1 .]" 1
417 1 22 SER HA 1 22 SER HB3 3.100 2.310 3.890 2.608 2.462 3.059 . 0 0 "[ . 1 .]" 1
418 1 22 SER HA 1 23 PHE H 2.500 . 3.120 2.536 2.186 2.771 . 0 0 "[ . 1 .]" 1
419 1 22 SER HA 1 23 PHE QD 3.100 2.310 3.890 3.600 3.235 3.939 0.049 2 0 "[ . 1 .]" 1
420 1 22 SER HB2 1 23 PHE H 2.600 . 3.250 2.170 1.895 3.299 0.055 5 0 "[ . 1 .]" 1
421 1 22 SER HB2 1 35 PHE QE 3.200 2.400 4.000 3.093 2.564 4.110 0.110 13 0 "[ . 1 .]" 1
422 1 22 SER HB2 1 35 PHE QE 3.700 2.770 4.630 2.964 2.551 3.883 0.219 9 0 "[ . 1 .]" 1
423 1 22 SER HB2 1 35 PHE HZ 4.000 3.000 5.000 3.989 3.122 4.746 . 0 0 "[ . 1 .]" 1
424 1 22 SER HB2 1 36 LEU HA 3.400 2.550 4.250 4.404 3.949 4.674 0.424 14 0 "[ . 1 .]" 1
425 1 22 SER HB2 1 46 ARG QG 3.800 2.850 4.750 4.336 3.196 5.016 0.266 9 0 "[ . 1 .]" 1
426 1 22 SER HB3 1 22 SER HG 3.000 2.260 3.740 2.680 2.268 2.877 . 0 0 "[ . 1 .]" 1
427 1 22 SER HB3 1 23 PHE H 2.700 2.020 3.380 3.451 3.294 3.648 0.268 6 0 "[ . 1 .]" 1
428 1 22 SER HB3 1 35 PHE QD 3.500 2.640 4.360 4.365 3.635 4.704 0.344 3 0 "[ . 1 .]" 1
429 1 22 SER HB3 1 35 PHE QD 3.500 2.610 4.390 4.592 3.667 5.127 0.737 10 2 "[ - . + .]" 1
430 1 22 SER HB3 1 35 PHE QE 3.200 2.410 3.990 4.014 3.722 4.133 0.143 13 0 "[ . 1 .]" 1
431 1 22 SER HB3 1 35 PHE HZ 3.700 2.770 4.630 4.621 4.029 5.070 0.440 3 0 "[ . 1 .]" 1
432 1 22 SER HG 1 27 TRP HD1 5.000 3.000 7.000 3.281 2.872 3.698 0.128 15 0 "[ . 1 .]" 1
433 1 22 SER HG 1 34 PRO HA 3.000 2.250 3.750 4.147 3.978 4.383 0.633 3 3 "[ + . -* .]" 1
434 1 23 PHE H 1 23 PHE HB2 3.900 2.940 4.860 2.866 2.713 3.131 0.227 12 0 "[ . 1 .]" 1
435 1 23 PHE H 1 23 PHE QD 3.100 2.320 3.880 3.472 3.022 3.913 0.033 13 0 "[ . 1 .]" 1
436 1 23 PHE H 1 47 PHE H 2.700 2.010 3.390 2.923 2.267 3.336 . 0 0 "[ . 1 .]" 1
437 1 23 PHE HA 1 23 PHE HB2 2.700 2.010 3.390 3.091 2.990 3.165 . 0 0 "[ . 1 .]" 1
438 1 23 PHE HA 1 23 PHE HB3 3.400 2.540 4.260 2.656 2.454 2.854 0.086 11 0 "[ . 1 .]" 1
439 1 23 PHE HA 1 23 PHE QD 3.100 2.320 3.880 2.906 2.742 3.111 . 0 0 "[ . 1 .]" 1
440 1 23 PHE HA 1 24 TYR H 2.500 . 3.120 2.283 2.119 2.407 . 0 0 "[ . 1 .]" 1
441 1 23 PHE HA 1 24 TYR QD 4.000 3.000 5.000 4.097 3.702 4.576 . 0 0 "[ . 1 .]" 1
442 1 23 PHE HA 1 34 PRO HA 2.400 . 3.000 2.070 1.890 2.271 . 0 0 "[ . 1 .]" 1
443 1 23 PHE HA 1 35 PHE H 3.500 2.620 4.380 2.998 2.858 3.235 . 0 0 "[ . 1 .]" 1
444 1 23 PHE HA 1 35 PHE QD 3.100 2.330 3.870 3.381 2.932 3.991 0.121 8 0 "[ . 1 .]" 1
445 1 23 PHE HB2 1 23 PHE QD 2.500 . 3.130 2.426 2.311 2.546 . 0 0 "[ . 1 .]" 1
446 1 23 PHE HB2 1 23 PHE QE 4.800 3.600 6.000 4.469 4.409 4.516 . 0 0 "[ . 1 .]" 1
447 1 23 PHE HB2 1 24 TYR H 3.000 2.240 3.760 4.116 3.860 4.500 0.740 2 4 "[-+ * 1 *]" 1
448 1 23 PHE HB2 1 35 PHE H 4.300 3.230 5.370 5.773 5.540 6.109 0.739 11 6 "[* * - *+ *]" 1
449 1 23 PHE HB2 1 47 PHE QB 2.400 . 3.000 2.125 1.882 2.406 . 0 0 "[ . 1 .]" 1
450 1 23 PHE HB3 1 23 PHE QD 2.600 . 3.240 2.456 2.308 2.585 . 0 0 "[ . 1 .]" 1
451 1 23 PHE HB3 1 47 PHE QB 2.800 2.100 3.500 3.052 2.390 3.317 . 0 0 "[ . 1 .]" 1
452 1 23 PHE HB3 1 53 CYS HB2 2.600 . 3.250 3.022 2.420 3.838 0.588 1 1 "[+ . 1 .]" 1
453 1 23 PHE QD 1 32 CYS HB2 4.500 3.390 5.610 4.201 3.662 5.006 . 0 0 "[ . 1 .]" 1
454 1 23 PHE QD 1 32 CYS HB3 3.200 2.400 4.000 2.912 2.566 3.258 . 0 0 "[ . 1 .]" 1
455 1 23 PHE QD 1 33 LEU HA 4.000 3.000 5.000 4.177 3.823 4.694 . 0 0 "[ . 1 .]" 1
456 1 23 PHE QD 1 33 LEU HG 4.800 3.610 5.990 4.716 4.330 5.017 . 0 0 "[ . 1 .]" 1
457 1 23 PHE QD 1 34 PRO HA 3.000 2.240 3.760 3.238 2.795 3.487 . 0 0 "[ . 1 .]" 1
458 1 23 PHE QD 1 34 PRO HD3 4.100 3.080 5.120 3.968 3.430 4.247 . 0 0 "[ . 1 .]" 1
459 1 23 PHE QD 1 34 PRO QG 4.300 3.230 5.370 4.321 3.988 4.558 . 0 0 "[ . 1 .]" 1
460 1 23 PHE QD 1 34 PRO QG 4.400 3.310 5.490 4.527 4.121 4.780 . 0 0 "[ . 1 .]" 1
461 1 23 PHE QD 1 48 GLN HA 4.200 3.160 5.240 4.723 3.987 5.251 0.011 14 0 "[ . 1 .]" 1
462 1 23 PHE QD 1 49 THR HA 3.000 2.260 3.740 3.100 2.664 3.477 . 0 0 "[ . 1 .]" 1
463 1 23 PHE QD 1 50 ILE H 4.000 3.000 5.000 3.884 3.447 4.466 . 0 0 "[ . 1 .]" 1
464 1 23 PHE QD 1 50 ILE H 3.900 2.930 4.870 3.819 3.415 4.352 . 0 0 "[ . 1 .]" 1
465 1 23 PHE QD 1 50 ILE HA 3.400 2.540 4.260 3.389 2.980 3.889 . 0 0 "[ . 1 .]" 1
466 1 23 PHE QD 1 50 ILE HB 3.600 2.700 4.500 3.636 3.027 3.930 . 0 0 "[ . 1 .]" 1
467 1 23 PHE QD 1 50 ILE MD 3.000 2.250 3.750 3.573 2.614 3.860 0.110 4 0 "[ . 1 .]" 1
468 1 23 PHE QD 1 53 CYS HB2 4.600 3.450 5.750 4.499 4.068 4.915 . 0 0 "[ . 1 .]" 1
469 1 23 PHE QD 1 53 CYS HB3 4.900 3.670 6.130 5.107 4.391 6.040 . 0 0 "[ . 1 .]" 1
470 1 23 PHE QE 1 34 PRO HA 3.900 2.930 4.870 4.128 3.775 4.615 . 0 0 "[ . 1 .]" 1
471 1 23 PHE QE 1 34 PRO HB2 3.800 2.850 4.750 4.305 3.735 4.766 0.016 13 0 "[ . 1 .]" 1
472 1 23 PHE QE 1 34 PRO HB3 3.000 2.250 3.750 2.788 2.234 3.217 0.016 6 0 "[ . 1 .]" 1
473 1 23 PHE QE 1 34 PRO HD3 3.500 2.640 4.360 3.647 3.071 4.422 0.062 5 0 "[ . 1 .]" 1
474 1 23 PHE QE 1 34 PRO QG 3.200 2.390 4.010 3.693 2.546 4.036 0.026 5 0 "[ . 1 .]" 1
475 1 23 PHE QE 1 34 PRO QG 3.300 2.480 4.120 2.857 2.367 3.715 0.113 1 0 "[ . 1 .]" 1
476 1 23 PHE QE 1 49 THR HA 2.800 2.090 3.510 3.150 2.486 3.655 0.145 4 0 "[ . 1 .]" 1
477 1 23 PHE QE 1 49 THR HB 4.800 3.600 6.000 4.911 4.474 5.423 . 0 0 "[ . 1 .]" 1
478 1 23 PHE QE 1 50 ILE H 3.000 2.240 3.760 3.523 3.217 3.810 0.050 1 0 "[ . 1 .]" 1
479 1 23 PHE QE 1 50 ILE HA 4.300 3.240 5.360 4.092 3.752 4.697 . 0 0 "[ . 1 .]" 1
480 1 23 PHE QE 1 50 ILE HB 3.000 2.260 3.740 3.018 2.814 3.563 . 0 0 "[ . 1 .]" 1
481 1 23 PHE QE 1 50 ILE MD 2.900 2.180 3.620 2.530 2.227 3.286 . 0 0 "[ . 1 .]" 1
482 1 23 PHE QE 1 50 ILE QG 3.600 2.690 4.510 3.391 2.700 4.512 0.002 8 0 "[ . 1 .]" 1
483 1 24 TYR H 1 24 TYR HA 3.300 2.480 4.120 2.924 2.865 2.991 . 0 0 "[ . 1 .]" 1
484 1 24 TYR H 1 24 TYR QB 3.500 2.640 4.360 3.171 2.989 3.337 . 0 0 "[ . 1 .]" 1
485 1 24 TYR H 1 24 TYR QD 2.700 2.020 3.380 3.042 2.606 3.433 0.053 3 0 "[ . 1 .]" 1
486 1 24 TYR H 1 33 LEU H 3.000 2.260 3.740 3.002 2.897 3.129 . 0 0 "[ . 1 .]" 1
487 1 24 TYR H 1 35 PHE QD 3.300 2.460 4.140 3.538 3.069 3.994 . 0 0 "[ . 1 .]" 1
488 1 24 TYR HA 1 24 TYR QB 2.400 . 3.010 2.152 2.111 2.199 . 0 0 "[ . 1 .]" 1
489 1 24 TYR HA 1 24 TYR QD 3.800 2.850 4.750 3.766 3.705 3.820 . 0 0 "[ . 1 .]" 1
490 1 24 TYR HA 1 25 PHE H 2.900 2.170 3.630 2.481 2.337 2.552 . 0 0 "[ . 1 .]" 1
491 1 24 TYR HA 1 25 PHE HB2 4.500 3.360 5.640 4.079 3.781 4.454 . 0 0 "[ . 1 .]" 1
492 1 24 TYR HA 1 35 PHE QD 4.100 3.080 5.120 4.654 4.348 5.052 . 0 0 "[ . 1 .]" 1
493 1 24 TYR HA 1 35 PHE QE 3.700 2.790 4.610 4.181 3.363 4.646 0.036 13 0 "[ . 1 .]" 1
494 1 24 TYR HA 1 47 PHE QD 3.000 2.260 3.740 2.572 2.176 3.435 0.084 7 0 "[ . 1 .]" 1
495 1 24 TYR QB 1 24 TYR QD 2.200 . 2.750 2.174 2.140 2.198 . 0 0 "[ . 1 .]" 1
496 1 24 TYR QB 1 24 TYR QD 2.200 . 2.750 2.163 2.130 2.184 . 0 0 "[ . 1 .]" 1
497 1 24 TYR QB 1 24 TYR QD 2.300 . 2.870 2.172 2.138 2.194 . 0 0 "[ . 1 .]" 1
498 1 24 TYR QB 1 24 TYR QE 3.700 2.770 4.630 3.990 3.955 4.010 . 0 0 "[ . 1 .]" 1
499 1 24 TYR QB 1 24 TYR QE 5.000 3.750 6.250 3.581 3.451 3.827 0.299 14 0 "[ . 1 .]" 1
500 1 24 TYR QB 1 25 PHE H 2.700 2.010 3.390 2.769 2.563 3.123 . 0 0 "[ . 1 .]" 1
501 1 24 TYR QB 1 35 PHE QD 2.900 2.180 3.620 2.839 2.177 3.328 0.003 8 0 "[ . 1 .]" 1
502 1 24 TYR QB 1 35 PHE QE 2.400 . 3.000 2.548 2.033 3.022 0.022 3 0 "[ . 1 .]" 1
503 1 24 TYR QB 1 35 PHE QE 2.600 . 3.250 2.459 2.030 2.960 . 0 0 "[ . 1 .]" 1
504 1 24 TYR QB 1 35 PHE QE 2.600 . 3.250 2.469 2.032 2.991 . 0 0 "[ . 1 .]" 1
505 1 24 TYR QB 1 37 PHE QE 3.400 2.550 4.250 3.840 3.672 4.041 . 0 0 "[ . 1 .]" 1
506 1 24 TYR QB 1 45 ASN HD22 3.200 2.900 3.500 3.120 2.854 3.581 0.081 2 0 "[ . 1 .]" 1
507 1 24 TYR QD 1 25 PHE H 3.800 2.860 4.740 3.196 2.817 3.581 0.043 14 0 "[ . 1 .]" 1
508 1 24 TYR QD 1 33 LEU QD 5.200 3.900 6.500 4.288 3.998 4.547 . 0 0 "[ . 1 .]" 1
509 1 24 TYR QD 1 35 PHE HA 4.000 3.000 5.000 3.819 3.512 4.126 . 0 0 "[ . 1 .]" 1
510 1 24 TYR QD 1 35 PHE HB2 3.300 2.480 4.120 4.170 4.052 4.298 0.178 1 0 "[ . 1 .]" 1
511 1 24 TYR QD 1 35 PHE HB3 2.700 2.020 3.380 2.566 2.322 2.813 . 0 0 "[ . 1 .]" 1
512 1 24 TYR QD 1 45 ASN HD21 3.500 3.200 3.800 3.576 3.156 3.884 0.084 1 0 "[ . 1 .]" 1
513 1 24 TYR QD 1 45 ASN HD22 2.900 2.600 3.200 3.154 2.579 3.510 0.310 5 0 "[ . 1 .]" 1
514 1 24 TYR QE 1 26 LYS HA 2.600 . 3.260 2.840 2.507 3.325 0.065 7 0 "[ . 1 .]" 1
515 1 24 TYR QE 1 26 LYS QB 3.400 2.550 4.250 3.143 2.400 4.304 0.150 1 0 "[ . 1 .]" 1
516 1 24 TYR QE 1 26 LYS QD 3.100 2.330 3.870 2.698 2.227 3.928 0.103 9 0 "[ . 1 .]" 1
517 1 24 TYR QE 1 26 LYS QE 3.600 2.700 4.500 3.241 2.132 4.058 0.568 12 1 "[ . 1 + .]" 1
518 1 24 TYR QE 1 26 LYS QG . 2.920 3.500 3.266 2.375 3.669 0.545 2 1 "[ + . 1 .]" 1
519 1 24 TYR QE 1 33 LEU HB2 2.800 2.100 3.500 2.917 2.576 3.382 . 0 0 "[ . 1 .]" 1
520 1 24 TYR QE 1 33 LEU HB3 3.500 2.620 4.380 3.656 3.361 4.424 0.044 3 0 "[ . 1 .]" 1
521 1 24 TYR QE 1 33 LEU QD 3.500 2.640 4.360 3.050 2.708 3.339 . 0 0 "[ . 1 .]" 1
522 1 24 TYR QE 1 35 PHE HB3 3.000 2.260 3.740 2.670 2.334 3.364 . 0 0 "[ . 1 .]" 1
523 1 24 TYR QE 1 35 PHE QD 3.300 2.480 4.120 4.154 3.943 4.244 0.124 6 0 "[ . 1 .]" 1
524 1 25 PHE H 1 25 PHE HA 3.500 2.620 4.380 2.949 2.928 2.972 . 0 0 "[ . 1 .]" 1
525 1 25 PHE H 1 25 PHE HB2 2.900 2.180 3.620 2.702 2.586 2.817 . 0 0 "[ . 1 .]" 1
526 1 25 PHE H 1 25 PHE HB3 2.900 2.170 3.630 2.774 2.690 2.882 . 0 0 "[ . 1 .]" 1
527 1 25 PHE H 1 45 ASN HD21 4.000 3.600 4.400 4.243 3.958 4.464 0.064 2 0 "[ . 1 .]" 1
528 1 25 PHE H 1 45 ASN HD22 3.000 2.700 3.300 2.917 2.594 3.305 0.106 8 0 "[ . 1 .]" 1
529 1 25 PHE HA 1 25 PHE HB2 2.800 2.100 3.500 2.625 2.516 2.763 . 0 0 "[ . 1 .]" 1
530 1 25 PHE HA 1 25 PHE HB3 2.600 . 3.250 3.091 3.055 3.112 . 0 0 "[ . 1 .]" 1
531 1 25 PHE HA 1 25 PHE QD 2.500 . 3.120 3.136 2.925 3.207 0.087 1 0 "[ . 1 .]" 1
532 1 25 PHE HA 1 26 LYS H 2.300 . 2.870 2.278 2.157 2.470 . 0 0 "[ . 1 .]" 1
533 1 25 PHE HA 1 32 CYS HA 2.400 . 3.000 2.206 1.923 2.613 . 0 0 "[ . 1 .]" 1
534 1 25 PHE HB2 1 25 PHE QD 2.800 2.110 3.490 2.355 2.291 2.467 . 0 0 "[ . 1 .]" 1
535 1 25 PHE HB2 1 32 CYS HA 3.800 2.850 4.750 4.295 3.872 4.776 0.026 9 0 "[ . 1 .]" 1
536 1 25 PHE HB2 1 32 CYS HA 4.200 3.150 5.250 4.079 3.737 4.377 . 0 0 "[ . 1 .]" 1
537 1 25 PHE HB2 1 57 CYS HB2 2.600 . 3.250 3.173 2.779 3.377 0.127 1 0 "[ . 1 .]" 1
538 1 25 PHE HB3 1 25 PHE QD 2.800 2.050 3.550 2.572 2.436 2.658 . 0 0 "[ . 1 .]" 1
539 1 25 PHE QD 1 27 TRP HA 3.500 2.620 4.380 3.251 2.620 3.538 0.000 13 0 "[ . 1 .]" 1
540 1 25 PHE QD 1 27 TRP HB2 3.800 2.860 4.740 4.465 3.974 4.837 0.097 5 0 "[ . 1 .]" 1
541 1 25 PHE QD 1 32 CYS HA 3.500 2.620 4.380 3.905 3.554 4.314 . 0 0 "[ . 1 .]" 1
542 1 25 PHE QD 1 57 CYS HB2 3.500 2.610 4.390 2.625 2.496 2.746 0.114 13 0 "[ . 1 .]" 1
543 1 25 PHE QD 1 57 CYS HB3 3.700 2.770 4.630 3.035 2.925 3.206 . 0 0 "[ . 1 .]" 1
544 1 25 PHE QD 1 58 LEU QD 4.300 3.230 5.370 4.174 4.049 4.291 . 0 0 "[ . 1 .]" 1
545 1 25 PHE QD 1 58 LEU HG 4.800 3.590 6.010 4.367 4.158 4.670 . 0 0 "[ . 1 .]" 1
546 1 25 PHE QD 1 60 LYS QG 4.800 3.600 6.000 6.313 6.208 6.487 0.487 13 0 "[ . 1 .]" 1
547 1 25 PHE QE 1 25 PHE HZ 2.500 . 3.120 2.205 2.188 2.230 . 0 0 "[ . 1 .]" 1
548 1 25 PHE QE 1 27 TRP HA 3.300 2.470 4.130 3.789 3.226 4.148 0.018 3 0 "[ . 1 .]" 1
549 1 25 PHE QE 1 30 LYS HA 3.200 2.400 4.000 2.356 2.276 2.442 0.124 13 0 "[ . 1 .]" 1
550 1 25 PHE QE 1 30 LYS QD 3.400 2.550 4.250 2.673 2.386 3.006 0.164 12 0 "[ . 1 .]" 1
551 1 25 PHE QE 1 30 LYS HG2 3.900 2.930 4.870 4.810 4.344 5.256 0.386 5 0 "[ . 1 .]" 1
552 1 25 PHE QE 1 30 LYS HG3 3.100 2.320 3.880 3.011 2.733 3.288 . 0 0 "[ . 1 .]" 1
553 1 25 PHE QE 1 30 LYS HG3 3.300 2.480 4.120 3.003 2.729 3.276 . 0 0 "[ . 1 .]" 1
554 1 25 PHE QE 1 31 LYS HA 3.700 2.770 4.630 3.404 3.066 3.711 . 0 0 "[ . 1 .]" 1
555 1 25 PHE QE 1 39 GLY HA2 3.900 2.930 4.870 3.651 3.427 3.889 . 0 0 "[ . 1 .]" 1
556 1 25 PHE QE 1 54 ARG QD 4.100 3.080 5.120 4.898 4.605 5.199 0.079 11 0 "[ . 1 .]" 1
557 1 25 PHE QE 1 57 CYS HB3 3.500 2.620 4.380 3.175 2.879 3.315 . 0 0 "[ . 1 .]" 1
558 1 25 PHE QE 1 58 LEU QD 3.500 2.630 3.620 2.504 2.391 2.643 0.239 15 0 "[ . 1 .]" 1
559 1 25 PHE QE 1 58 LEU HG 3.100 2.330 3.870 2.630 2.246 3.009 0.084 2 0 "[ . 1 .]" 1
560 1 25 PHE HZ 1 27 TRP HA 3.000 2.240 3.760 2.301 2.146 2.914 0.094 7 0 "[ . 1 .]" 1
561 1 25 PHE HZ 1 28 THR HA 4.300 3.210 5.390 5.513 5.473 5.563 0.173 7 0 "[ . 1 .]" 1
562 1 25 PHE HZ 1 28 THR MG 4.300 3.230 5.370 5.349 5.175 5.417 0.047 15 0 "[ . 1 .]" 1
563 1 26 LYS H 1 26 LYS HA 3.300 2.480 4.120 2.882 2.826 2.935 . 0 0 "[ . 1 .]" 1
564 1 26 LYS H 1 26 LYS QB 2.700 2.020 3.380 2.146 1.983 2.425 0.037 8 0 "[ . 1 .]" 1
565 1 26 LYS H 1 26 LYS QG 3.000 2.250 3.750 3.711 3.614 3.860 0.110 13 0 "[ . 1 .]" 1
566 1 26 LYS H 1 31 LYS H 3.500 2.620 4.380 3.589 3.376 3.848 . 0 0 "[ . 1 .]" 1
567 1 26 LYS H 1 32 CYS HA 3.400 2.550 4.250 3.099 2.545 3.533 0.005 1 0 "[ . 1 .]" 1
568 1 26 LYS HA 1 26 LYS QB 2.400 . 3.000 2.329 2.153 2.558 . 0 0 "[ . 1 .]" 1
569 1 26 LYS HA 1 26 LYS QD 2.500 . 3.110 3.038 2.326 3.584 0.474 4 0 "[ . 1 .]" 1
570 1 26 LYS HA 1 29 ALA MB 3.300 2.480 4.120 3.850 3.708 3.986 . 0 0 "[ . 1 .]" 1
571 1 26 LYS HA 1 30 LYS HG2 3.100 2.320 3.880 3.909 3.759 4.166 0.286 7 0 "[ . 1 .]" 1
572 1 26 LYS HA 1 33 LEU QD 3.200 2.400 4.000 2.570 2.127 2.973 0.273 8 0 "[ . 1 .]" 1
573 1 26 LYS QB 1 26 LYS QE 2.400 . 3.000 2.894 2.439 3.233 0.233 11 0 "[ . 1 .]" 1
574 1 26 LYS QB 1 31 LYS H 3.500 2.610 4.390 3.444 3.114 3.815 . 0 0 "[ . 1 .]" 1
575 1 26 LYS QB 1 33 LEU QD 2.200 . 2.750 2.482 2.214 2.746 . 0 0 "[ . 1 .]" 1
576 1 26 LYS QD 1 26 LYS QE 2.500 . 3.140 1.868 1.816 1.914 0.044 14 0 "[ . 1 .]" 1
577 1 26 LYS QD 1 27 TRP H 5.000 3.740 6.260 4.290 3.491 5.107 0.249 6 0 "[ . 1 .]" 1
578 1 26 LYS QD 1 28 THR H 4.300 2.500 6.100 3.634 2.751 4.091 . 0 0 "[ . 1 .]" 1
579 1 26 LYS QD 1 29 ALA H 3.200 2.400 4.000 4.127 4.006 4.245 0.245 14 0 "[ . 1 .]" 1
580 1 26 LYS QE 1 26 LYS QG 3.400 2.550 3.620 2.436 2.052 2.837 0.498 11 0 "[ . 1 .]" 1
581 1 26 LYS QE 1 29 ALA MB 3.500 2.620 4.380 3.476 2.221 4.299 0.399 13 0 "[ . 1 .]" 1
582 1 26 LYS QE 1 33 LEU QD 4.100 3.080 5.120 3.455 2.195 4.079 0.885 13 1 "[ . 1 + .]" 1
583 1 26 LYS QG 1 27 TRP H 4.000 3.230 5.000 3.840 2.999 4.451 0.231 13 0 "[ . 1 .]" 1
584 1 26 LYS QG 1 27 TRP HA 4.900 3.670 6.130 4.473 4.249 4.749 . 0 0 "[ . 1 .]" 1
585 1 26 LYS QG 1 28 THR H 2.600 . 3.250 2.561 2.298 2.896 . 0 0 "[ . 1 .]" 1
586 1 26 LYS QG 1 29 ALA H 2.600 . 3.250 2.701 2.209 3.508 0.258 6 0 "[ . 1 .]" 1
587 1 26 LYS QG 1 33 LEU QD 2.700 2.020 3.380 2.335 1.874 3.300 0.146 6 0 "[ . 1 .]" 1
588 1 27 TRP H 1 27 TRP HA 2.800 2.100 3.500 2.683 2.562 2.801 . 0 0 "[ . 1 .]" 1
589 1 27 TRP H 1 27 TRP HB2 2.800 2.100 3.500 2.517 2.244 3.020 . 0 0 "[ . 1 .]" 1
590 1 27 TRP H 1 27 TRP HB3 2.900 2.190 3.610 2.112 1.914 2.255 0.276 1 0 "[ . 1 .]" 1
591 1 27 TRP H 1 27 TRP HD1 3.700 2.770 4.630 4.637 4.057 4.744 0.114 5 0 "[ . 1 .]" 1
592 1 27 TRP HA 1 27 TRP HB2 3.000 2.060 3.940 2.341 2.144 2.476 . 0 0 "[ . 1 .]" 1
593 1 27 TRP HA 1 27 TRP HD1 4.800 3.100 6.500 4.889 4.828 4.970 . 0 0 "[ . 1 .]" 1
594 1 27 TRP HA 1 30 LYS H 3.600 2.700 4.500 3.917 3.665 4.126 . 0 0 "[ . 1 .]" 1
595 1 27 TRP HA 1 30 LYS QD 3.500 2.620 4.380 3.858 3.110 4.309 . 0 0 "[ . 1 .]" 1
596 1 27 TRP HB2 1 27 TRP HD1 3.100 2.330 3.870 3.594 3.425 3.894 0.024 1 0 "[ . 1 .]" 1
597 1 27 TRP HB2 1 27 TRP HE3 3.700 2.770 4.630 2.726 2.197 3.193 0.573 1 1 "[+ . 1 .]" 1
598 1 27 TRP HB2 1 28 THR H 3.200 2.400 4.000 4.083 3.916 4.434 0.434 1 0 "[ . 1 .]" 1
599 1 27 TRP HB3 1 27 TRP HE3 3.100 2.250 3.950 4.025 3.794 4.175 0.225 13 0 "[ . 1 .]" 1
600 1 27 TRP HB3 1 28 THR H 3.000 2.250 3.750 2.531 2.364 2.823 . 0 0 "[ . 1 .]" 1
601 1 27 TRP HD1 1 28 THR HA 3.900 2.930 4.870 4.848 4.780 4.903 0.033 1 0 "[ . 1 .]" 1
602 1 27 TRP HD1 1 28 THR MG 3.500 2.640 4.360 2.608 2.588 2.627 0.052 14 0 "[ . 1 .]" 1
603 1 28 THR H 1 28 THR HA 3.100 2.320 3.880 2.875 2.817 2.926 . 0 0 "[ . 1 .]" 1
604 1 28 THR H 1 28 THR HB 3.600 2.700 4.500 3.627 3.386 3.801 . 0 0 "[ . 1 .]" 1
605 1 28 THR H 1 28 THR MG 2.900 2.180 3.620 2.697 2.467 2.931 . 0 0 "[ . 1 .]" 1
606 1 28 THR H 1 29 ALA H 3.000 2.260 3.740 2.597 2.417 2.696 . 0 0 "[ . 1 .]" 1
607 1 28 THR HA 1 28 THR HB 2.400 . 3.000 2.596 2.443 2.696 . 0 0 "[ . 1 .]" 1
608 1 28 THR HA 1 28 THR MG 2.900 2.190 3.610 2.187 2.163 2.218 0.027 6 0 "[ . 1 .]" 1
609 1 28 THR HA 1 29 ALA H 4.000 2.990 5.010 3.461 3.239 3.639 . 0 0 "[ . 1 .]" 1
610 1 28 THR HB 1 28 THR MG 2.900 . 3.800 2.177 2.161 2.191 . 0 0 "[ . 1 .]" 1
611 1 29 ALA H 1 29 ALA HA 2.800 2.100 3.500 2.953 2.911 2.992 . 0 0 "[ . 1 .]" 1
612 1 29 ALA H 1 29 ALA MB 2.500 . 3.140 2.360 2.290 2.502 . 0 0 "[ . 1 .]" 1
613 1 29 ALA H 1 30 LYS H 2.300 . 2.890 2.282 1.993 2.547 . 0 0 "[ . 1 .]" 1
614 1 29 ALA H 1 30 LYS HA 4.100 3.080 5.120 4.370 3.961 4.665 . 0 0 "[ . 1 .]" 1
615 1 29 ALA HA 1 29 ALA MB 2.300 . 2.860 2.169 2.149 2.193 . 0 0 "[ . 1 .]" 1
616 1 29 ALA MB 1 30 LYS H 3.000 2.240 3.760 2.638 2.454 2.919 . 0 0 "[ . 1 .]" 1
617 1 29 ALA MB 1 31 LYS H 3.300 2.480 4.120 2.549 2.451 2.756 0.029 4 0 "[ . 1 .]" 1
618 1 30 LYS H 1 30 LYS HA 2.400 . 3.000 2.173 2.134 2.212 . 0 0 "[ . 1 .]" 1
619 1 30 LYS H 1 30 LYS QD 3.800 2.850 4.750 3.687 3.185 3.989 . 0 0 "[ . 1 .]" 1
620 1 30 LYS H 1 31 LYS H 3.000 2.250 3.750 2.414 2.300 2.510 . 0 0 "[ . 1 .]" 1
621 1 30 LYS HA 1 30 LYS HB2 3.300 2.480 4.120 2.736 2.479 3.013 0.001 5 0 "[ . 1 .]" 1
622 1 30 LYS HA 1 30 LYS HB3 2.400 . 3.000 2.860 2.449 3.032 0.032 11 0 "[ . 1 .]" 1
623 1 30 LYS HA 1 30 LYS HG3 2.800 2.100 3.500 3.032 2.559 3.669 0.169 13 0 "[ . 1 .]" 1
624 1 30 LYS HA 1 31 LYS H 2.700 2.010 3.390 2.925 2.847 3.017 . 0 0 "[ . 1 .]" 1
625 1 30 LYS HB2 1 30 LYS HG3 2.700 2.020 3.380 2.843 2.334 3.091 . 0 0 "[ . 1 .]" 1
626 1 30 LYS HG2 1 31 LYS H 3.100 2.310 3.890 3.581 2.377 4.042 0.152 2 0 "[ . 1 .]" 1
627 1 31 LYS H 1 31 LYS QB 5.200 2.100 8.300 2.746 2.523 3.287 . 0 0 "[ . 1 .]" 1
628 1 31 LYS HA 1 31 LYS QG 2.600 . 3.250 2.709 2.387 3.354 0.104 1 0 "[ . 1 .]" 1
629 1 31 LYS HA 1 44 ALA MB 3.100 2.320 3.880 3.111 2.709 3.388 . 0 0 "[ . 1 .]" 1
630 1 31 LYS QB 1 32 CYS H 3.300 2.480 4.120 2.907 2.367 3.509 0.113 8 0 "[ . 1 .]" 1
631 1 31 LYS QE 1 33 LEU QD 4.300 3.230 5.370 4.278 3.127 5.193 0.103 9 0 "[ . 1 .]" 1
632 1 31 LYS QG 1 32 CYS H 3.200 2.400 4.000 3.041 2.260 3.783 0.140 7 0 "[ . 1 .]" 1
633 1 31 LYS QG 1 33 LEU QD 2.200 . 2.740 1.933 1.867 1.952 . 0 0 "[ . 1 .]" 1
634 1 32 CYS H 1 32 CYS HA 3.200 2.400 4.000 2.883 2.852 2.918 . 0 0 "[ . 1 .]" 1
635 1 32 CYS H 1 32 CYS HB2 2.700 2.040 3.360 2.377 2.231 2.722 . 0 0 "[ . 1 .]" 1
636 1 32 CYS H 1 32 CYS HB3 3.800 2.860 4.740 3.591 3.529 3.679 . 0 0 "[ . 1 .]" 1
637 1 32 CYS H 1 58 LEU QD 5.200 3.300 7.100 4.580 3.980 5.189 . 0 0 "[ . 1 .]" 1
638 1 32 CYS HA 1 32 CYS HB2 3.300 2.460 4.140 3.105 3.069 3.137 . 0 0 "[ . 1 .]" 1
639 1 32 CYS HA 1 32 CYS HB3 3.100 2.330 3.870 2.592 2.430 2.703 . 0 0 "[ . 1 .]" 1
640 1 32 CYS HA 1 33 LEU H 2.500 . 3.110 2.239 2.178 2.341 . 0 0 "[ . 1 .]" 1
641 1 32 CYS HA 1 33 LEU HB2 4.200 3.160 5.240 4.692 4.458 4.938 . 0 0 "[ . 1 .]" 1
642 1 32 CYS HA 1 33 LEU HG 3.600 2.700 4.500 4.079 3.765 4.508 0.008 1 0 "[ . 1 .]" 1
643 1 32 CYS HB2 1 50 ILE MD 3.600 2.700 4.500 3.446 2.647 4.008 0.053 13 0 "[ . 1 .]" 1
644 1 32 CYS HB2 1 50 ILE QG 3.000 2.250 3.750 2.969 2.258 3.403 . 0 0 "[ . 1 .]" 1
645 1 32 CYS HB3 1 33 LEU H 3.800 2.850 4.750 3.250 2.741 3.724 0.109 1 0 "[ . 1 .]" 1
646 1 32 CYS HB3 1 53 CYS H 4.000 3.000 5.000 3.188 2.775 3.855 0.225 1 0 "[ . 1 .]" 1
647 1 32 CYS HB3 1 53 CYS HB2 2.500 . 3.120 2.688 2.209 2.982 . 0 0 "[ . 1 .]" 1
648 1 32 CYS HB3 1 50 ILE MD 4.600 3.450 5.750 4.119 3.411 4.564 0.039 6 0 "[ . 1 .]" 1
649 1 32 CYS HB3 1 50 ILE QG 2.700 2.020 3.380 3.089 2.410 3.763 0.383 1 0 "[ . 1 .]" 1
650 1 32 CYS HB3 1 53 CYS HB2 2.400 . 3.000 3.529 3.179 3.949 0.949 12 6 "[* * .-* 1 + *]" 1
651 1 33 LEU H 1 33 LEU HA 2.800 2.100 3.500 2.967 2.940 2.997 . 0 0 "[ . 1 .]" 1
652 1 33 LEU H 1 33 LEU HB2 2.900 2.190 3.610 2.744 2.639 2.879 . 0 0 "[ . 1 .]" 1
653 1 33 LEU H 1 33 LEU HB3 4.000 3.010 4.990 3.824 3.790 3.869 . 0 0 "[ . 1 .]" 1
654 1 33 LEU H 1 33 LEU QD 4.400 3.300 4.750 3.378 3.063 3.548 0.237 1 0 "[ . 1 .]" 1
655 1 33 LEU H 1 33 LEU HG 3.400 2.550 4.250 3.047 2.752 3.347 . 0 0 "[ . 1 .]" 1
656 1 33 LEU HA 1 33 LEU HB2 3.000 2.260 3.740 3.074 3.031 3.105 . 0 0 "[ . 1 .]" 1
657 1 33 LEU HA 1 33 LEU HB3 2.600 . 3.260 2.448 2.357 2.533 . 0 0 "[ . 1 .]" 1
658 1 33 LEU HA 1 33 LEU QD . 2.850 3.370 2.273 2.177 2.486 0.673 5 11 "[ * *+****1*-* *]" 1
659 1 33 LEU HA 1 33 LEU HG 3.000 2.250 3.750 3.475 3.233 3.813 0.063 1 0 "[ . 1 .]" 1
660 1 33 LEU HA 1 34 PRO HD2 2.400 . 3.000 2.628 2.462 3.030 0.030 11 0 "[ . 1 .]" 1
661 1 33 LEU HA 1 34 PRO HD3 2.300 . 2.870 2.205 1.912 2.316 . 0 0 "[ . 1 .]" 1
662 1 33 LEU HA 1 34 PRO QG 3.600 2.690 4.510 4.091 3.893 4.166 . 0 0 "[ . 1 .]" 1
663 1 33 LEU HB2 1 33 LEU QD 2.400 . 3.000 2.341 2.216 2.531 . 0 0 "[ . 1 .]" 1
664 1 33 LEU HB2 1 34 PRO HD2 3.100 2.310 3.890 3.917 3.620 4.024 0.134 5 0 "[ . 1 .]" 1
665 1 33 LEU HB2 1 34 PRO HD3 4.100 3.080 5.120 4.653 4.129 4.781 . 0 0 "[ . 1 .]" 1
666 1 33 LEU HB3 1 33 LEU QD 2.300 . 2.870 2.089 1.968 2.155 . 0 0 "[ . 1 .]" 1
667 1 33 LEU HB3 1 34 PRO HD3 3.000 2.250 3.750 3.578 2.950 3.776 0.026 5 0 "[ . 1 .]" 1
668 1 33 LEU QD 1 34 PRO HD2 3.200 2.390 4.010 3.274 3.077 3.705 . 0 0 "[ . 1 .]" 1
669 1 33 LEU QD 1 34 PRO HD3 3.400 2.550 4.250 3.621 3.158 3.820 . 0 0 "[ . 1 .]" 1
670 1 34 PRO HA 1 34 PRO HB2 2.500 . 3.120 2.552 2.495 2.605 . 0 0 "[ . 1 .]" 1
671 1 34 PRO HA 1 34 PRO HB3 2.600 . 3.250 2.393 2.312 2.456 . 0 0 "[ . 1 .]" 1
672 1 34 PRO HA 1 34 PRO HD3 3.300 2.480 4.120 3.717 3.603 3.858 . 0 0 "[ . 1 .]" 1
673 1 34 PRO HA 1 34 PRO QG 3.500 2.640 4.360 3.635 3.600 3.669 . 0 0 "[ . 1 .]" 1
674 1 34 PRO HA 1 35 PHE H 2.300 . 2.870 2.076 1.919 2.198 . 0 0 "[ . 1 .]" 1
675 1 34 PRO HA 1 35 PHE QD 4.000 3.000 5.000 3.828 3.369 4.305 . 0 0 "[ . 1 .]" 1
676 1 34 PRO HB2 1 35 PHE H 3.600 2.690 4.510 3.321 2.686 4.231 0.004 11 0 "[ . 1 .]" 1
677 1 34 PRO HB3 1 34 PRO HD2 3.700 2.770 4.630 3.772 3.667 3.853 . 0 0 "[ . 1 .]" 1
678 1 34 PRO HB3 1 34 PRO HD3 3.300 2.460 4.140 3.178 2.733 3.848 . 0 0 "[ . 1 .]" 1
679 1 34 PRO HB3 1 35 PHE H 3.600 2.700 4.500 3.922 3.487 4.412 . 0 0 "[ . 1 .]" 1
680 1 34 PRO HD2 1 34 PRO QG 2.500 . 3.130 2.232 2.194 2.315 . 0 0 "[ . 1 .]" 1
681 1 34 PRO HD3 1 34 PRO QG 2.700 . 3.400 2.287 2.251 2.324 . 0 0 "[ . 1 .]" 1
682 1 34 PRO HD3 1 34 PRO QG 2.100 . 2.630 2.074 2.033 2.106 . 0 0 "[ . 1 .]" 1
683 1 35 PHE H 1 35 PHE HA 3.000 2.250 3.750 2.896 2.800 3.020 . 0 0 "[ . 1 .]" 1
684 1 35 PHE H 1 35 PHE HB2 4.300 3.230 5.370 4.107 3.877 4.209 . 0 0 "[ . 1 .]" 1
685 1 35 PHE H 1 35 PHE QD 2.800 2.090 3.510 2.709 2.221 3.077 . 0 0 "[ . 1 .]" 1
686 1 35 PHE HA 1 35 PHE HB3 2.700 2.010 3.390 2.603 2.532 2.703 . 0 0 "[ . 1 .]" 1
687 1 35 PHE HA 1 36 LEU QD 4.000 3.000 5.000 3.259 2.798 3.686 0.202 11 0 "[ . 1 .]" 1
688 1 35 PHE HB2 1 35 PHE QD 2.400 . 3.010 2.382 2.332 2.478 . 0 0 "[ . 1 .]" 1
689 1 35 PHE HB2 1 36 LEU H 2.700 2.020 3.380 2.578 2.264 3.047 . 0 0 "[ . 1 .]" 1
690 1 35 PHE HB3 1 35 PHE QD 2.600 . 3.250 2.688 2.530 2.804 . 0 0 "[ . 1 .]" 1
691 1 35 PHE HB3 1 36 LEU H 3.300 2.460 4.140 3.916 3.614 4.259 0.119 13 0 "[ . 1 .]" 1
692 1 35 PHE QD 1 36 LEU H 3.200 2.410 3.990 2.815 2.295 3.370 0.115 6 0 "[ . 1 .]" 1
693 1 35 PHE QD 1 36 LEU HA 4.000 3.000 5.000 4.620 4.416 4.809 . 0 0 "[ . 1 .]" 1
694 1 35 PHE QD 1 37 PHE HB2 4.000 2.990 5.010 4.579 3.797 5.041 0.031 2 0 "[ . 1 .]" 1
695 1 35 PHE QE 1 37 PHE HA 3.000 2.250 3.750 2.867 2.559 3.039 . 0 0 "[ . 1 .]" 1
696 1 35 PHE QE 1 37 PHE HB2 3.500 2.610 4.390 3.389 2.808 4.057 . 0 0 "[ . 1 .]" 1
697 1 35 PHE QE 1 37 PHE HB2 3.300 2.480 4.120 3.143 2.770 3.594 . 0 0 "[ . 1 .]" 1
698 1 35 PHE QE 1 46 ARG HA 4.200 3.150 5.250 3.182 2.962 3.847 0.188 8 0 "[ . 1 .]" 1
699 1 35 PHE QE 1 46 ARG HB3 2.900 2.180 3.620 2.912 2.135 3.625 0.045 8 0 "[ . 1 .]" 1
700 1 35 PHE QE 1 47 PHE H 4.100 2.700 5.500 4.016 3.585 4.688 . 0 0 "[ . 1 .]" 1
701 1 35 PHE HZ 1 37 PHE HB2 2.900 2.180 3.620 3.171 2.229 3.737 0.117 6 0 "[ . 1 .]" 1
702 1 35 PHE HZ 1 37 PHE HB2 2.800 2.110 3.490 2.553 2.008 2.739 0.102 9 0 "[ . 1 .]" 1
703 1 35 PHE HZ 1 46 ARG HB2 3.000 2.250 3.750 3.463 3.093 3.792 0.042 9 0 "[ . 1 .]" 1
704 1 35 PHE HZ 1 46 ARG HB3 2.700 2.020 3.380 2.594 2.176 3.197 . 0 0 "[ . 1 .]" 1
705 1 35 PHE HZ 1 46 ARG QG 3.200 2.400 4.000 3.193 2.290 4.112 0.112 1 0 "[ . 1 .]" 1
706 1 35 PHE HZ 1 46 ARG HB3 2.700 2.020 3.380 2.633 2.180 3.399 0.019 9 0 "[ . 1 .]" 1
707 1 35 PHE HZ 1 46 ARG HB3 2.700 2.020 3.380 2.552 2.166 3.104 . 0 0 "[ . 1 .]" 1
708 1 36 LEU H 1 36 LEU HB2 2.700 2.020 3.380 2.583 2.357 2.856 . 0 0 "[ . 1 .]" 1
709 1 36 LEU H 1 36 LEU HB3 3.700 2.600 4.800 3.681 3.575 3.857 . 0 0 "[ . 1 .]" 1
710 1 36 LEU H 1 36 LEU QD 3.800 2.850 4.750 3.221 2.583 3.811 0.267 13 0 "[ . 1 .]" 1
711 1 36 LEU H 1 36 LEU HG 3.000 2.250 3.750 3.562 2.963 4.124 0.374 11 0 "[ . 1 .]" 1
712 1 36 LEU HA 1 36 LEU HB3 2.600 . 3.250 2.547 2.413 2.666 . 0 0 "[ . 1 .]" 1
713 1 36 LEU HA 1 36 LEU HB3 2.500 . 3.120 1.981 1.938 2.050 . 0 0 "[ . 1 .]" 1
714 1 36 LEU HA 1 37 PHE H 2.300 . 2.870 2.276 2.181 2.346 . 0 0 "[ . 1 .]" 1
715 1 36 LEU HB2 1 36 LEU QD 2.600 2.400 3.250 2.216 2.106 2.299 0.294 2 0 "[ . 1 .]" 1
716 1 36 LEU HB3 1 37 PHE H 3.500 2.620 4.380 2.870 2.510 3.529 0.110 2 0 "[ . 1 .]" 1
717 1 36 LEU QD 1 36 LEU HG 2.400 . 3.000 1.912 1.844 1.944 0.106 11 0 "[ . 1 .]" 1
718 1 36 LEU QD 1 37 PHE H 3.800 2.860 4.740 3.757 3.420 4.076 . 0 0 "[ . 1 .]" 1
719 1 37 PHE H 1 37 PHE HB3 2.500 . 3.110 2.371 2.228 2.584 . 0 0 "[ . 1 .]" 1
720 1 37 PHE HB2 1 46 ARG HE 2.700 2.040 3.360 2.333 2.028 2.564 0.012 1 0 "[ . 1 .]" 1
721 1 37 PHE HB3 1 37 PHE QE 3.700 2.770 4.630 4.378 4.346 4.467 . 0 0 "[ . 1 .]" 1
722 1 37 PHE QD 1 42 GLY H 3.100 2.320 3.880 4.060 3.254 4.217 0.337 12 0 "[ . 1 .]" 1
723 1 37 PHE QD 1 42 GLY HA3 3.200 2.410 3.990 3.216 2.672 3.898 . 0 0 "[ . 1 .]" 1
724 1 37 PHE QE 1 38 SER H 3.800 2.850 4.750 4.397 4.002 4.789 0.039 9 0 "[ . 1 .]" 1
725 1 37 PHE QE 1 39 GLY HA2 2.800 2.100 3.500 2.618 2.447 2.790 . 0 0 "[ . 1 .]" 1
726 1 37 PHE QE 1 39 GLY HA3 3.700 2.770 4.630 3.907 3.672 4.049 . 0 0 "[ . 1 .]" 1
727 1 37 PHE QE 1 42 GLY H 3.500 2.640 4.360 2.699 2.498 3.137 0.142 13 0 "[ . 1 .]" 1
728 1 37 PHE QE 1 42 GLY HA2 3.200 2.390 4.010 3.942 3.651 4.129 0.119 14 0 "[ . 1 .]" 1
729 1 37 PHE QE 1 42 GLY HA3 2.900 2.170 3.630 2.504 2.166 3.074 0.004 1 0 "[ . 1 .]" 1
730 1 37 PHE QE 1 46 ARG HB3 4.200 3.150 5.250 5.128 4.120 5.403 0.153 3 0 "[ . 1 .]" 1
731 1 37 PHE QE 1 46 ARG QD 3.300 2.480 4.120 2.500 2.177 3.207 0.303 7 0 "[ . 1 .]" 1
732 1 38 SER H 1 38 SER HA 2.900 2.180 3.620 2.911 2.828 2.986 . 0 0 "[ . 1 .]" 1
733 1 38 SER H 1 38 SER HB2 2.500 . 3.120 2.397 2.094 2.756 . 0 0 "[ . 1 .]" 1
734 1 38 SER H 1 38 SER HB3 2.700 2.010 3.390 3.155 2.638 3.748 0.358 6 0 "[ . 1 .]" 1
735 1 38 SER H 1 39 GLY H 3.000 2.250 3.750 2.842 2.328 4.061 0.311 3 0 "[ . 1 .]" 1
736 1 38 SER HA 1 38 SER HB3 2.600 . 3.250 2.679 2.314 3.104 . 0 0 "[ . 1 .]" 1
737 1 39 GLY H 1 39 GLY HA2 2.500 . 3.120 2.376 2.164 2.848 . 0 0 "[ . 1 .]" 1
738 1 39 GLY H 1 40 CYS H 2.900 2.180 3.620 3.304 2.534 3.682 0.062 6 0 "[ . 1 .]" 1
739 1 40 CYS HA 1 41 GLY H 2.700 2.020 3.380 2.490 2.178 3.015 . 0 0 "[ . 1 .]" 1
740 1 40 CYS QB 1 41 GLY H 4.100 3.080 5.120 3.602 2.982 4.109 0.098 13 0 "[ . 1 .]" 1
741 1 41 GLY H 1 41 GLY HA2 2.900 2.190 3.610 2.596 2.396 2.981 . 0 0 "[ . 1 .]" 1
742 1 41 GLY H 1 41 GLY HA3 3.500 2.620 4.380 2.899 2.401 3.043 0.219 9 0 "[ . 1 .]" 1
743 1 41 GLY H 1 42 GLY H 2.700 2.020 3.380 2.491 2.004 3.238 0.016 12 0 "[ . 1 .]" 1
744 1 41 GLY HA2 1 42 GLY H 3.500 2.620 4.380 3.242 2.777 3.631 . 0 0 "[ . 1 .]" 1
745 1 41 GLY HA3 1 42 GLY H 3.100 2.320 3.880 3.306 2.655 3.717 . 0 0 "[ . 1 .]" 1
746 1 42 GLY H 1 42 GLY HA3 2.600 . 3.260 2.270 2.163 2.356 . 0 0 "[ . 1 .]" 1
747 1 42 GLY HA2 1 43 ASN H 2.500 . 3.120 2.530 2.176 2.853 . 0 0 "[ . 1 .]" 1
748 1 43 ASN H 1 43 ASN HA 2.600 . 3.250 2.943 2.860 2.978 . 0 0 "[ . 1 .]" 1
749 1 43 ASN HA 1 43 ASN HB3 2.600 . 3.250 2.419 2.283 3.128 . 0 0 "[ . 1 .]" 1
750 1 43 ASN HA 1 44 ALA MB 4.200 3.150 5.250 4.047 3.848 4.376 . 0 0 "[ . 1 .]" 1
751 1 43 ASN HB2 1 43 ASN HD21 3.100 2.320 3.880 3.001 2.537 3.673 . 0 0 "[ . 1 .]" 1
752 1 43 ASN HB3 1 43 ASN HD21 2.700 2.020 3.380 2.452 2.143 3.552 0.172 10 0 "[ . 1 .]" 1
753 1 43 ASN HB3 1 43 ASN HD22 3.900 2.930 4.870 3.595 3.444 4.111 . 0 0 "[ . 1 .]" 1
754 1 44 ALA HA 1 44 ALA MB 2.600 . 3.260 2.163 2.114 2.206 . 0 0 "[ . 1 .]" 1
755 1 44 ALA MB 1 45 ASN H 4.000 3.000 5.000 3.397 2.957 3.805 0.043 10 0 "[ . 1 .]" 1
756 1 45 ASN H 1 45 ASN HB2 3.000 2.240 3.760 2.751 2.409 3.096 . 0 0 "[ . 1 .]" 1
757 1 45 ASN H 1 45 ASN HB3 3.000 2.260 3.740 2.633 2.392 2.732 . 0 0 "[ . 1 .]" 1
758 1 45 ASN HA 1 45 ASN HB2 2.700 2.020 3.380 2.541 2.398 2.627 . 0 0 "[ . 1 .]" 1
759 1 45 ASN HA 1 45 ASN HB3 2.600 . 3.250 3.101 3.053 3.134 . 0 0 "[ . 1 .]" 1
760 1 45 ASN HB2 1 45 ASN HD21 2.500 2.200 2.800 2.856 2.580 3.081 0.281 5 0 "[ . 1 .]" 1
761 1 45 ASN HB3 1 45 ASN HD21 2.500 2.200 2.800 2.369 2.144 2.629 0.056 5 0 "[ . 1 .]" 1
762 1 46 ARG H 1 46 ARG HB2 3.500 2.620 4.380 3.951 2.945 4.178 . 0 0 "[ . 1 .]" 1
763 1 46 ARG H 1 46 ARG HB3 3.300 2.480 4.120 3.551 3.253 3.880 . 0 0 "[ . 1 .]" 1
764 1 46 ARG HA 1 46 ARG HB2 3.100 2.330 3.870 2.465 2.290 3.035 0.040 5 0 "[ . 1 .]" 1
765 1 46 ARG HA 1 46 ARG HB3 2.600 . 3.250 2.342 2.255 2.462 . 0 0 "[ . 1 .]" 1
766 1 46 ARG HA 1 46 ARG QG 3.000 2.250 3.750 3.473 3.176 3.586 . 0 0 "[ . 1 .]" 1
767 1 46 ARG HB3 1 47 PHE H 3.300 2.480 4.120 3.879 3.108 4.168 0.048 8 0 "[ . 1 .]" 1
768 1 46 ARG QD 1 46 ARG QG 2.600 . 3.250 2.054 2.007 2.151 . 0 0 "[ . 1 .]" 1
769 1 46 ARG QD 1 46 ARG QH 3.200 2.390 4.010 2.287 2.123 2.562 0.267 15 0 "[ . 1 .]" 1
770 1 46 ARG QD 1 47 PHE HA 3.900 2.930 4.870 2.837 2.686 3.580 0.244 10 0 "[ . 1 .]" 1
771 1 46 ARG HE 1 46 ARG QH 2.600 . 3.250 2.094 1.911 2.226 0.039 14 0 "[ . 1 .]" 1
772 1 46 ARG QG 1 47 PHE H 3.400 2.550 4.250 4.254 3.670 4.591 0.341 9 0 "[ . 1 .]" 1
773 1 47 PHE H 1 47 PHE HA 2.800 2.100 3.500 2.944 2.916 2.980 . 0 0 "[ . 1 .]" 1
774 1 47 PHE H 1 47 PHE QB 3.000 2.260 3.740 2.394 2.225 2.608 0.035 13 0 "[ . 1 .]" 1
775 1 47 PHE H 1 47 PHE QD 3.200 2.400 4.000 3.174 2.566 3.507 . 0 0 "[ . 1 .]" 1
776 1 47 PHE HA 1 47 PHE QB 2.500 2.180 3.140 2.464 2.382 2.546 . 0 0 "[ . 1 .]" 1
777 1 47 PHE HA 1 47 PHE QD 3.200 2.410 3.990 2.387 2.263 2.734 0.147 14 0 "[ . 1 .]" 1
778 1 47 PHE HA 1 48 GLN H 2.400 . 3.000 2.243 2.100 2.377 . 0 0 "[ . 1 .]" 1
779 1 47 PHE HA 1 52 GLU QB 4.100 3.080 5.120 3.522 3.093 3.993 . 0 0 "[ . 1 .]" 1
780 1 47 PHE QB 1 47 PHE QD 3.300 2.480 3.990 2.230 2.180 2.264 0.300 1 0 "[ . 1 .]" 1
781 1 47 PHE QB 1 48 GLN H 3.100 2.320 3.880 3.199 2.936 3.524 . 0 0 "[ . 1 .]" 1
782 1 47 PHE QB 1 48 GLN H 3.200 2.400 4.000 2.814 2.178 3.315 0.222 15 0 "[ . 1 .]" 1
783 1 47 PHE QB 1 49 THR H 3.800 2.850 4.750 3.319 2.895 3.729 . 0 0 "[ . 1 .]" 1
784 1 47 PHE QB 1 49 THR H 3.200 2.390 4.010 3.410 2.922 3.907 . 0 0 "[ . 1 .]" 1
785 1 47 PHE QB 1 52 GLU QG 3.400 2.550 4.250 2.925 2.442 3.612 0.108 6 0 "[ . 1 .]" 1
786 1 47 PHE QB 1 53 CYS H 3.600 2.700 4.500 3.218 2.779 3.942 . 0 0 "[ . 1 .]" 1
787 1 47 PHE QD 1 53 CYS HA 3.100 2.320 3.880 2.872 2.582 3.243 . 0 0 "[ . 1 .]" 1
788 1 47 PHE QE 1 52 GLU QG 5.100 3.830 6.370 4.021 3.591 4.388 0.239 9 0 "[ . 1 .]" 1
789 1 47 PHE QE 1 56 LYS QB 2.200 . 2.750 2.087 1.936 2.291 . 0 0 "[ . 1 .]" 1
790 1 47 PHE QE 1 56 LYS HG2 3.100 2.320 3.880 3.859 3.352 4.075 0.195 3 0 "[ . 1 .]" 1
791 1 47 PHE QE 1 56 LYS HA 4.900 3.670 6.130 5.937 4.721 6.271 0.141 15 0 "[ . 1 .]" 1
792 1 47 PHE QE 1 56 LYS HD2 2.900 . 3.890 2.613 2.186 3.621 . 0 0 "[ . 1 .]" 1
793 1 48 GLN H 1 48 GLN HA 3.000 2.250 3.750 2.845 2.732 2.897 . 0 0 "[ . 1 .]" 1
794 1 48 GLN H 1 48 GLN HB3 2.600 . 3.250 2.434 2.213 2.894 . 0 0 "[ . 1 .]" 1
795 1 48 GLN H 1 48 GLN HG2 3.500 2.610 4.390 3.824 3.425 4.307 . 0 0 "[ . 1 .]" 1
796 1 48 GLN H 1 49 THR H 2.800 2.100 3.500 2.749 2.503 3.065 . 0 0 "[ . 1 .]" 1
797 1 48 GLN H 1 52 GLU QB 3.700 2.770 4.630 3.143 2.751 3.365 0.019 14 0 "[ . 1 .]" 1
798 1 48 GLN H 1 52 GLU QG 2.500 . 3.120 2.827 2.238 3.124 0.004 8 0 "[ . 1 .]" 1
799 1 48 GLN HA 1 48 GLN HB2 2.500 . 3.140 2.656 2.166 3.108 . 0 0 "[ . 1 .]" 1
800 1 48 GLN HA 1 48 GLN HB3 3.200 2.400 4.000 2.562 2.454 2.705 . 0 0 "[ . 1 .]" 1
801 1 48 GLN HA 1 48 GLN HG2 3.800 2.860 4.740 3.441 2.633 3.853 0.227 14 0 "[ . 1 .]" 1
802 1 48 GLN HA 1 48 GLN HG3 3.600 2.600 4.600 3.699 2.584 4.323 0.016 2 0 "[ . 1 .]" 1
803 1 48 GLN QE 1 48 GLN HG3 3.400 2.550 4.250 2.244 2.008 2.534 0.542 10 1 "[ . + .]" 1
804 1 48 GLN QE 1 52 GLU QG 3.600 2.700 4.500 2.769 2.129 4.052 0.571 10 2 "[ . +- .]" 1
805 1 49 THR H 1 52 GLU QB 2.800 2.100 3.500 2.673 2.314 2.997 . 0 0 "[ . 1 .]" 1
806 1 49 THR HA 1 49 THR MG 2.600 . 3.250 2.348 2.242 2.397 . 0 0 "[ . 1 .]" 1
807 1 49 THR HA 1 50 ILE H 2.300 . 2.870 2.538 2.350 2.813 . 0 0 "[ . 1 .]" 1
808 1 49 THR HB 1 49 THR MG 2.300 . 2.870 2.163 2.138 2.183 . 0 0 "[ . 1 .]" 1
809 1 49 THR HB 1 50 ILE H 2.300 . 2.870 2.366 2.088 2.638 . 0 0 "[ . 1 .]" 1
810 1 49 THR HB 1 50 ILE HB 3.600 2.700 4.500 3.178 2.837 3.928 . 0 0 "[ . 1 .]" 1
811 1 49 THR MG 1 50 ILE H 3.400 2.550 4.250 3.698 3.551 3.823 . 0 0 "[ . 1 .]" 1
812 1 50 ILE H 1 50 ILE HA 3.000 2.250 3.750 2.810 2.742 2.913 . 0 0 "[ . 1 .]" 1
813 1 50 ILE H 1 50 ILE HA 2.900 2.180 3.620 2.661 2.290 2.743 . 0 0 "[ . 1 .]" 1
814 1 50 ILE H 1 50 ILE HB 2.300 . 2.870 1.929 1.810 2.187 . 0 0 "[ . 1 .]" 1
815 1 50 ILE H 1 50 ILE HB 2.200 . 2.750 1.890 1.793 2.161 . 0 0 "[ . 1 .]" 1
816 1 50 ILE H 1 50 ILE QG 3.800 2.860 4.740 3.565 2.675 3.778 0.185 2 0 "[ . 1 .]" 1
817 1 50 ILE HA 1 50 ILE HB 2.500 . 3.120 2.444 2.379 2.624 . 0 0 "[ . 1 .]" 1
818 1 50 ILE HA 1 50 ILE MD 3.200 2.400 4.000 3.724 3.662 3.789 . 0 0 "[ . 1 .]" 1
819 1 50 ILE HA 1 50 ILE QG 2.500 . 3.120 2.285 2.176 2.358 . 0 0 "[ . 1 .]" 1
820 1 50 ILE HA 1 51 GLY H 3.500 2.620 4.380 3.385 2.405 3.539 0.215 2 0 "[ . 1 .]" 1
821 1 50 ILE HA 1 51 GLY QA 3.200 2.400 4.000 2.458 1.937 3.702 0.463 14 0 "[ . 1 .]" 1
822 1 50 ILE HA 1 53 CYS H 3.500 2.640 4.360 3.821 3.247 4.371 0.011 11 0 "[ . 1 .]" 1
823 1 50 ILE HA 1 54 ARG H 3.700 2.770 4.630 2.996 2.157 4.063 0.613 7 2 "[ -. + 1 .]" 1
824 1 50 ILE MG 1 51 GLY H 2.700 2.020 3.380 2.803 2.503 3.476 0.096 2 0 "[ . 1 .]" 1
825 1 50 ILE MG 1 51 GLY QA 4.400 3.300 5.500 3.412 3.083 3.799 0.217 9 0 "[ . 1 .]" 1
826 1 51 GLY H 1 51 GLY QA 2.500 2.180 3.140 2.227 2.164 2.304 0.016 13 0 "[ . 1 .]" 1
827 1 51 GLY H 1 52 GLU H 2.800 2.090 3.510 2.572 2.252 2.887 . 0 0 "[ . 1 .]" 1
828 1 51 GLY QA 1 52 GLU H 3.200 2.400 4.000 2.923 2.653 3.012 . 0 0 "[ . 1 .]" 1
829 1 51 GLY QA 1 52 GLU H 3.300 2.480 4.120 2.752 2.542 2.886 . 0 0 "[ . 1 .]" 1
830 1 51 GLY QA 1 54 ARG QB 3.800 2.850 4.750 3.572 2.721 4.690 0.129 13 0 "[ . 1 .]" 1
831 1 52 GLU H 1 52 GLU HA 3.200 2.390 4.010 2.922 2.853 2.983 . 0 0 "[ . 1 .]" 1
832 1 52 GLU H 1 52 GLU QB 2.500 . 3.110 2.221 2.133 2.427 . 0 0 "[ . 1 .]" 1
833 1 52 GLU HA 1 52 GLU QB 2.600 . 3.400 2.377 2.274 2.462 . 0 0 "[ . 1 .]" 1
834 1 52 GLU HA 1 52 GLU QG 3.100 2.400 3.890 3.098 2.778 3.291 . 0 0 "[ . 1 .]" 1
835 1 52 GLU HA 1 53 CYS H 4.300 3.230 5.370 3.403 3.249 3.544 . 0 0 "[ . 1 .]" 1
836 1 52 GLU HA 1 55 LYS H 3.500 2.620 4.380 3.645 3.184 4.322 . 0 0 "[ . 1 .]" 1
837 1 52 GLU HA 1 55 LYS QB 2.700 2.010 3.390 2.994 2.131 3.449 0.059 15 0 "[ . 1 .]" 1
838 1 52 GLU QB 1 53 CYS H 2.700 2.020 3.380 3.076 2.536 3.391 0.011 13 0 "[ . 1 .]" 1
839 1 52 GLU QG 1 56 LYS QE 2.900 2.550 3.620 2.884 2.460 3.417 0.090 13 0 "[ . 1 .]" 1
840 1 53 CYS H 1 53 CYS HB2 2.700 2.010 3.390 2.469 2.256 2.741 . 0 0 "[ . 1 .]" 1
841 1 53 CYS H 1 53 CYS HB3 2.900 2.190 3.610 2.331 2.169 2.507 0.021 15 0 "[ . 1 .]" 1
842 1 53 CYS H 1 54 ARG H 3.000 2.260 3.740 2.592 2.127 3.061 0.133 13 0 "[ . 1 .]" 1
843 1 53 CYS HA 1 53 CYS HB3 2.500 . 3.120 3.100 3.049 3.130 0.010 15 0 "[ . 1 .]" 1
844 1 53 CYS HA 1 54 ARG H 3.800 2.850 4.750 3.422 3.315 3.551 . 0 0 "[ . 1 .]" 1
845 1 53 CYS HB2 1 54 ARG H 2.700 2.040 3.360 3.805 3.564 4.293 0.933 3 5 "[ + .-* 1 * *]" 1
846 1 53 CYS HB3 1 54 ARG H 3.100 2.320 3.880 2.389 2.036 3.192 0.284 4 0 "[ . 1 .]" 1
847 1 53 CYS HB3 1 54 ARG HE 3.200 2.410 3.990 2.481 2.174 2.604 0.236 13 0 "[ . 1 .]" 1
848 1 54 ARG H 1 54 ARG QB 2.700 2.020 3.380 2.238 2.008 2.694 0.012 8 0 "[ . 1 .]" 1
849 1 54 ARG H 1 55 LYS H 2.600 . 3.250 2.672 2.117 2.966 . 0 0 "[ . 1 .]" 1
850 1 54 ARG HA 1 55 LYS H 3.800 2.850 4.750 3.556 3.435 3.679 . 0 0 "[ . 1 .]" 1
851 1 54 ARG HA 1 56 LYS H 3.700 2.770 4.630 4.127 3.819 4.654 0.024 10 0 "[ . 1 .]" 1
852 1 54 ARG HA 1 58 LEU QB 2.900 2.180 3.620 2.878 2.397 3.224 . 0 0 "[ . 1 .]" 1
853 1 54 ARG HA 1 58 LEU MD1 3.000 2.260 3.740 3.377 2.738 3.890 0.150 3 0 "[ . 1 .]" 1
854 1 54 ARG HA 1 58 LEU HG 3.300 2.480 4.120 3.809 3.417 4.263 0.143 3 0 "[ . 1 .]" 1
855 1 54 ARG HA 1 60 LYS QD 2.800 2.100 3.500 3.666 3.501 3.835 0.335 4 0 "[ . 1 .]" 1
856 1 54 ARG QB 1 54 ARG QD 2.600 . 3.250 2.328 2.086 2.564 . 0 0 "[ . 1 .]" 1
857 1 54 ARG QB 1 55 LYS H 3.100 2.310 3.890 3.103 2.293 3.905 0.017 3 0 "[ . 1 .]" 1
858 1 54 ARG QD 1 54 ARG QG 2.500 . 3.120 2.044 1.934 2.144 . 0 0 "[ . 1 .]" 1
859 1 54 ARG HE 1 54 ARG QG 3.600 2.690 4.510 2.599 2.339 3.022 0.351 12 0 "[ . 1 .]" 1
860 1 54 ARG HE 1 55 LYS H 3.900 2.930 4.870 4.883 4.570 5.073 0.203 7 0 "[ . 1 .]" 1
861 1 54 ARG QG 1 60 LYS QE 3.400 2.550 4.250 3.493 2.059 4.171 0.491 7 0 "[ . 1 .]" 1
862 1 55 LYS H 1 55 LYS QB 2.300 . 2.890 2.200 2.048 2.470 . 0 0 "[ . 1 .]" 1
863 1 55 LYS H 1 55 LYS QG 3.800 2.850 4.750 3.601 2.677 4.057 0.173 1 0 "[ . 1 .]" 1
864 1 55 LYS HA 1 55 LYS QB 2.400 . 3.000 2.421 2.316 2.585 . 0 0 "[ . 1 .]" 1
865 1 55 LYS HA 1 55 LYS QG 3.200 2.410 3.990 2.497 2.330 2.964 0.080 3 0 "[ . 1 .]" 1
866 1 55 LYS HA 1 59 GLY H 3.600 2.700 4.500 3.961 3.672 4.110 . 0 0 "[ . 1 .]" 1
867 1 55 LYS HA 1 59 GLY HA2 3.400 2.550 4.250 4.292 3.431 4.417 0.167 7 0 "[ . 1 .]" 1
868 1 55 LYS HA 1 60 LYS H 2.900 2.180 3.620 2.827 2.463 3.797 0.177 5 0 "[ . 1 .]" 1
869 1 56 LYS H 1 56 LYS HA 2.900 2.180 3.620 2.794 2.674 2.839 . 0 0 "[ . 1 .]" 1
870 1 56 LYS H 1 56 LYS HG2 3.200 2.400 4.000 4.080 3.419 4.396 0.396 3 0 "[ . 1 .]" 1
871 1 56 LYS H 1 59 GLY H 3.600 2.700 4.500 3.845 3.438 4.293 . 0 0 "[ . 1 .]" 1
872 1 56 LYS HA 1 56 LYS HD3 3.600 2.700 4.500 4.479 3.822 4.581 0.081 10 0 "[ . 1 .]" 1
873 1 56 LYS HA 1 56 LYS HG2 2.400 . 3.000 2.341 2.217 2.469 . 0 0 "[ . 1 .]" 1
874 1 56 LYS HA 1 56 LYS HG3 2.600 . 3.250 2.731 2.461 3.319 0.069 9 0 "[ . 1 .]" 1
875 1 56 LYS HD2 1 56 LYS QE 2.200 . 2.750 2.456 2.291 2.654 . 0 0 "[ . 1 .]" 1
876 1 56 LYS HD3 1 56 LYS QE 3.000 2.250 3.750 2.374 2.223 2.459 0.027 1 0 "[ . 1 .]" 1
877 1 57 CYS H 1 57 CYS HB2 2.600 . 3.250 2.452 2.294 2.635 . 0 0 "[ . 1 .]" 1
878 1 57 CYS H 1 57 CYS HB3 4.000 2.900 5.100 3.690 3.579 3.764 . 0 0 "[ . 1 .]" 1
879 1 57 CYS H 1 58 LEU H 2.300 . 2.890 2.591 2.409 2.787 . 0 0 "[ . 1 .]" 1
880 1 57 CYS HA 1 57 CYS HB3 2.700 2.040 3.360 2.625 2.567 2.710 . 0 0 "[ . 1 .]" 1
881 1 57 CYS HB2 1 58 LEU H 4.100 3.080 5.120 3.968 3.764 4.116 . 0 0 "[ . 1 .]" 1
882 1 58 LEU H 1 58 LEU QB 2.700 2.010 3.390 2.754 2.630 2.872 . 0 0 "[ . 1 .]" 1
883 1 58 LEU H 1 58 LEU HG 3.000 2.250 3.750 3.788 3.683 3.855 0.105 5 0 "[ . 1 .]" 1
884 1 58 LEU H 1 59 GLY H 2.300 . 2.860 1.836 1.729 1.976 0.011 7 0 "[ . 1 .]" 1
885 1 58 LEU HA 1 58 LEU QB 3.200 2.300 4.100 2.492 2.450 2.538 . 0 0 "[ . 1 .]" 1
886 1 58 LEU QB 1 58 LEU QD 2.500 . 3.120 1.970 1.935 1.988 . 0 0 "[ . 1 .]" 1
887 1 58 LEU QB 1 60 LYS H 3.500 2.620 4.380 3.933 3.753 4.054 . 0 0 "[ . 1 .]" 1
888 1 58 LEU QD 1 58 LEU HG 2.100 . 2.630 1.950 1.936 1.962 . 0 0 "[ . 1 .]" 1
889 1 59 GLY H 1 59 GLY HA2 2.600 . 3.250 2.191 2.162 2.276 . 0 0 "[ . 1 .]" 1
890 1 59 GLY H 1 60 LYS QG 2.600 . 3.250 3.256 3.104 3.419 0.169 3 0 "[ . 1 .]" 1
891 1 59 GLY HA2 1 60 LYS H 3.300 2.480 4.120 2.602 2.477 2.718 0.003 7 0 "[ . 1 .]" 1
892 1 60 LYS H 1 60 LYS HA 3.700 2.770 4.630 2.871 2.801 2.943 . 0 0 "[ . 1 .]" 1
893 1 60 LYS H 1 60 LYS QG 3.300 2.480 4.120 2.452 2.388 2.515 0.092 8 0 "[ . 1 .]" 1
894 1 60 LYS HA 1 60 LYS HB2 3.000 2.240 3.760 2.663 2.560 3.074 . 0 0 "[ . 1 .]" 1
895 1 60 LYS HA 1 60 LYS HB3 3.400 2.550 4.250 2.444 2.369 2.525 0.181 10 0 "[ . 1 .]" 1
896 1 60 LYS HA 1 60 LYS QD 4.200 3.150 5.250 4.591 4.280 4.739 . 0 0 "[ . 1 .]" 1
897 1 60 LYS HA 1 60 LYS QG 3.700 2.770 4.630 3.327 2.751 3.458 0.019 6 0 "[ . 1 .]" 1
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