NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512129 |
2l92   |
17434 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l92
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 462
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.180
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0090
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 0.009 0.009 2 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TRP 0.009 0.009 2 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.009 0.009 2 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PHE 0.009 0.009 2 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 3 THR H 6.000 . 6.500 2.900 2.301 3.532 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER QB 1 3 THR MG 9.080 . 9.580 3.595 2.542 4.299 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER QB 1 4 VAL H 8.090 . 8.590 3.872 3.380 4.189 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER QB 1 4 VAL QG 10.900 . 11.400 2.621 1.984 2.902 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR H 1 4 VAL H 6.000 . 6.500 4.472 4.421 4.661 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR HA 1 3 THR HB 2.200 . 2.700 2.305 2.298 2.315 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR HA 1 4 VAL H 2.800 . 3.300 2.421 2.355 2.481 . 0 0 "[ . 1 . 2]" 1
8 1 3 THR HA 1 4 VAL H 2.920 . 3.420 2.316 2.264 2.360 . 0 0 "[ . 1 . 2]" 1
9 1 3 THR HB 1 4 VAL H 6.000 . 6.500 2.942 2.271 3.736 . 0 0 "[ . 1 . 2]" 1
10 1 3 THR MG 1 4 VAL H 7.210 . 7.710 3.573 3.308 3.770 . 0 0 "[ . 1 . 2]" 1
11 1 3 THR MG 1 17 SER QB 8.090 . 8.590 4.696 2.551 5.870 . 0 0 "[ . 1 . 2]" 1
12 1 4 VAL HA 1 4 VAL HB 2.800 . 3.300 2.474 2.368 2.515 . 0 0 "[ . 1 . 2]" 1
13 1 4 VAL HA 1 5 PRO QD 2.470 . 2.970 2.141 2.012 2.202 . 0 0 "[ . 1 . 2]" 1
14 1 4 VAL HA 1 5 PRO QD 3.110 . 3.610 2.117 1.995 2.172 . 0 0 "[ . 1 . 2]" 1
15 1 4 VAL HB 1 5 PRO QD 3.930 . 4.430 2.581 2.203 3.652 . 0 0 "[ . 1 . 2]" 1
16 1 4 VAL QG 1 5 PRO HA 8.090 . 8.590 4.308 3.974 4.523 . 0 0 "[ . 1 . 2]" 1
17 1 4 VAL QG 1 5 PRO QD . . 5.800 2.664 1.986 2.954 . 0 0 "[ . 1 . 2]" 1
18 1 5 PRO HA 1 6 LYS H 2.200 . 2.700 2.257 2.188 2.295 . 0 0 "[ . 1 . 2]" 1
19 1 5 PRO HA 1 6 LYS QB 6.730 . 7.230 4.100 3.834 4.391 . 0 0 "[ . 1 . 2]" 1
20 1 5 PRO HA 1 6 LYS QB 7.560 . 8.060 3.999 3.788 4.236 . 0 0 "[ . 1 . 2]" 1
21 1 5 PRO HA 1 7 TYR H 6.000 . 6.500 3.991 3.900 4.150 . 0 0 "[ . 1 . 2]" 1
22 1 5 PRO HA 1 17 SER HA 2.800 . 3.300 2.734 2.525 2.834 . 0 0 "[ . 1 . 2]" 1
23 1 5 PRO QB 1 6 LYS H 6.730 . 7.230 2.611 2.531 2.827 . 0 0 "[ . 1 . 2]" 1
24 1 5 PRO QB 1 6 LYS QG . . 9.310 3.095 2.924 3.270 . 0 0 "[ . 1 . 2]" 1
25 1 5 PRO QB 1 7 TYR H 6.730 . 7.230 3.002 2.664 3.603 . 0 0 "[ . 1 . 2]" 1
26 1 5 PRO QB 1 15 THR HB 3.930 . 4.430 2.566 2.365 2.925 . 0 0 "[ . 1 . 2]" 1
27 1 5 PRO QB 1 15 THR HB . . 4.910 2.537 2.345 2.882 . 0 0 "[ . 1 . 2]" 1
28 1 5 PRO QB 1 15 THR MG 8.090 . 8.590 3.124 2.934 3.322 . 0 0 "[ . 1 . 2]" 1
29 1 5 PRO QB 1 16 TRP H 6.730 . 7.230 3.323 2.922 3.758 . 0 0 "[ . 1 . 2]" 1
30 1 5 PRO QB 1 17 SER HA 6.730 . 7.230 4.007 3.693 4.359 . 0 0 "[ . 1 . 2]" 1
31 1 5 PRO QB 1 35 ILE MD 4.720 . 5.220 2.289 2.061 2.568 . 0 0 "[ . 1 . 2]" 1
32 1 5 PRO QG 1 7 TYR H 6.730 . 7.230 4.804 4.405 5.429 . 0 0 "[ . 1 . 2]" 1
33 1 5 PRO QG 1 15 THR HB 6.730 . 7.230 3.629 2.868 4.125 . 0 0 "[ . 1 . 2]" 1
34 1 5 PRO QG 1 15 THR MG . . 5.220 3.137 2.723 3.507 . 0 0 "[ . 1 . 2]" 1
35 1 5 PRO QG 1 35 ILE MD 4.720 . 5.220 2.563 2.168 3.518 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS H 1 7 TYR H . . 3.100 1.988 1.862 2.241 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS H 1 7 TYR QB 7.560 . 8.060 4.031 3.879 4.157 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS H 1 7 TYR QD 7.210 . 7.710 3.479 3.258 3.736 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS H 1 16 TRP H 6.000 . 6.500 3.818 3.652 4.022 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS H 1 17 SER HA 3.500 . 4.000 2.082 1.899 2.320 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS H 1 17 SER QB 7.560 . 8.060 3.438 3.088 3.905 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS HA 1 6 LYS QB 2.470 . 2.970 2.330 2.310 2.353 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS HA 1 7 TYR H 3.500 . 4.000 3.510 3.483 3.542 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS HA 1 7 TYR H 3.700 . 4.200 3.161 3.101 3.228 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS HA 1 7 TYR QB 8.490 . 8.990 5.103 5.015 5.153 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS HA 1 35 ILE H 6.000 . 6.500 3.895 3.717 4.038 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS HA 1 35 ILE HB 6.000 . 6.500 3.150 2.686 3.599 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS HA 1 35 ILE MD 7.210 . 7.710 3.118 2.729 3.572 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS QB 1 17 SER HA 7.560 . 8.060 2.349 2.195 2.532 . 0 0 "[ . 1 . 2]" 1
50 1 6 LYS QB 1 18 GLY QA 4.440 . 4.940 2.625 2.260 3.149 . 0 0 "[ . 1 . 2]" 1
51 1 6 LYS QB 1 7 TYR H . . 4.200 3.057 2.871 3.156 . 0 0 "[ . 1 . 2]" 1
52 1 6 LYS QB 1 7 TYR QB 9.520 . 10.020 3.913 3.705 4.081 . 0 0 "[ . 1 . 2]" 1
53 1 6 LYS QB 1 7 TYR QD 7.560 . 8.060 2.382 2.221 2.528 . 0 0 "[ . 1 . 2]" 1
54 1 6 LYS QB 1 16 TRP HH2 6.730 . 7.230 6.107 6.062 6.151 . 0 0 "[ . 1 . 2]" 1
55 1 6 LYS QB 1 17 SER QB 7.560 . 8.060 3.906 3.534 4.315 . 0 0 "[ . 1 . 2]" 1
56 1 6 LYS QB 1 17 SER QB 8.490 . 8.990 3.628 3.220 4.153 . 0 0 "[ . 1 . 2]" 1
57 1 6 LYS QB 1 18 GLY QA 7.560 . 8.060 3.708 3.287 4.574 . 0 0 "[ . 1 . 2]" 1
58 1 6 LYS QB 1 23 PRO QG 9.890 . 10.390 4.351 4.207 4.555 . 0 0 "[ . 1 . 2]" 1
59 1 6 LYS QB 1 34 LEU QD 9.080 . 9.580 3.459 2.808 3.980 . 0 0 "[ . 1 . 2]" 1
60 1 6 LYS QD 1 7 TYR QB 13.330 . 13.830 4.421 3.739 4.760 . 0 0 "[ . 1 . 2]" 1
61 1 6 LYS QD 1 18 GLY QA 7.560 . 8.060 2.695 2.285 3.333 . 0 0 "[ . 1 . 2]" 1
62 1 6 LYS QE 1 16 TRP HH2 6.730 . 7.230 5.998 5.770 6.045 . 0 0 "[ . 1 . 2]" 1
63 1 6 LYS QE 1 34 LEU QD 9.080 . 9.580 3.278 2.332 5.457 . 0 0 "[ . 1 . 2]" 1
64 1 6 LYS QG 1 7 TYR H 6.730 . 7.230 4.214 3.957 4.452 . 0 0 "[ . 1 . 2]" 1
65 1 6 LYS QG 1 7 TYR H 8.300 . 8.800 3.902 3.724 4.057 . 0 0 "[ . 1 . 2]" 1
66 1 6 LYS QG 1 7 TYR H 9.520 . 10.020 4.014 2.866 4.322 . 0 0 "[ . 1 . 2]" 1
67 1 6 LYS QG 1 35 ILE HB 7.850 . 8.350 4.578 4.053 5.169 . 0 0 "[ . 1 . 2]" 1
68 1 6 LYS QG 1 17 SER HA 6.730 . 7.230 3.613 2.438 4.532 . 0 0 "[ . 1 . 2]" 1
69 1 6 LYS QG 1 18 GLY QA 7.560 . 8.060 4.386 3.931 4.965 . 0 0 "[ . 1 . 2]" 1
70 1 7 TYR H 1 16 TRP H 6.000 . 6.500 2.904 2.832 2.983 . 0 0 "[ . 1 . 2]" 1
71 1 7 TYR H 1 16 TRP QB 6.730 . 7.230 3.934 3.757 4.027 . 0 0 "[ . 1 . 2]" 1
72 1 7 TYR H 1 16 TRP HH2 9.610 . 10.110 7.237 6.476 7.878 . 0 0 "[ . 1 . 2]" 1
73 1 7 TYR H 1 17 SER HA 6.000 . 6.500 3.591 3.467 3.721 . 0 0 "[ . 1 . 2]" 1
74 1 7 TYR H 1 34 LEU HA 6.730 . 7.230 4.271 4.138 4.322 . 0 0 "[ . 1 . 2]" 1
75 1 7 TYR H 1 35 ILE HB 6.000 . 6.500 4.737 4.362 5.049 . 0 0 "[ . 1 . 2]" 1
76 1 7 TYR H 1 35 ILE MD 7.210 . 7.710 3.065 2.903 3.206 . 0 0 "[ . 1 . 2]" 1
77 1 7 TYR HA 1 8 ARG H 6.000 . 6.500 2.255 2.210 2.285 . 0 0 "[ . 1 . 2]" 1
78 1 7 TYR HA 1 8 ARG HA 6.000 . 6.500 4.523 4.489 4.551 . 0 0 "[ . 1 . 2]" 1
79 1 7 TYR HA 1 8 ARG QB 8.090 . 8.590 3.428 3.272 3.507 . 0 0 "[ . 1 . 2]" 1
80 1 7 TYR HA 1 34 LEU HA 3.500 . 4.000 2.459 2.216 2.647 . 0 0 "[ . 1 . 2]" 1
81 1 7 TYR HA 1 34 LEU QD 8.090 . 8.590 3.598 3.316 3.995 . 0 0 "[ . 1 . 2]" 1
82 1 7 TYR HA 1 35 ILE H 6.000 . 6.500 2.646 2.490 3.251 . 0 0 "[ . 1 . 2]" 1
83 1 7 TYR HA 1 35 ILE HB 6.000 . 6.500 4.222 4.028 4.389 . 0 0 "[ . 1 . 2]" 1
84 1 7 TYR HA 1 35 ILE MD 7.210 . 7.710 3.501 3.210 3.693 . 0 0 "[ . 1 . 2]" 1
85 1 7 TYR HA 1 35 ILE QG 6.730 . 7.230 2.496 2.374 2.911 . 0 0 "[ . 1 . 2]" 1
86 1 7 TYR QB 1 8 ARG H 6.730 . 7.230 2.848 2.717 2.977 . 0 0 "[ . 1 . 2]" 1
87 1 7 TYR QB 1 9 ASP H 8.090 . 8.590 4.168 4.038 4.237 . 0 0 "[ . 1 . 2]" 1
88 1 7 TYR QB 1 15 THR HB 8.090 . 8.590 4.145 4.101 4.249 . 0 0 "[ . 1 . 2]" 1
89 1 7 TYR QB 1 16 TRP H 6.730 . 7.230 3.034 2.813 3.227 . 0 0 "[ . 1 . 2]" 1
90 1 7 TYR QB 1 26 LEU QD 6.360 . 6.860 2.294 1.849 2.600 . 0 0 "[ . 1 . 2]" 1
91 1 7 TYR QB 1 25 TRP HH2 6.730 . 7.230 2.295 2.170 2.454 . 0 0 "[ . 1 . 2]" 1
92 1 7 TYR QB 1 26 LEU QD 9.080 . 9.580 2.479 2.191 2.866 . 0 0 "[ . 1 . 2]" 1
93 1 7 TYR QB 1 34 LEU H 7.560 . 8.060 3.732 3.378 3.905 . 0 0 "[ . 1 . 2]" 1
94 1 7 TYR QB 1 34 LEU HA 6.730 . 7.230 3.589 3.350 3.969 . 0 0 "[ . 1 . 2]" 1
95 1 7 TYR QD 1 11 ALA HA 8.490 . 8.990 4.828 4.462 5.189 . 0 0 "[ . 1 . 2]" 1
96 1 7 TYR QD 1 18 GLY QA 9.080 . 9.580 3.850 3.570 4.396 . 0 0 "[ . 1 . 2]" 1
97 1 7 TYR QD 1 26 LEU QD 10.580 . 11.080 1.984 1.791 2.062 0.009 2 0 "[ . 1 . 2]" 1
98 1 7 TYR QD 1 34 LEU H 7.560 . 8.060 3.142 2.900 3.381 . 0 0 "[ . 1 . 2]" 1
99 1 7 TYR QD 1 34 LEU HA 4.410 . 4.910 2.652 2.428 3.132 . 0 0 "[ . 1 . 2]" 1
100 1 7 TYR QD 1 34 LEU QB . . 8.990 3.640 2.876 4.054 . 0 0 "[ . 1 . 2]" 1
101 1 7 TYR QD 1 34 LEU QD 10.190 . 10.690 2.982 2.449 3.528 . 0 0 "[ . 1 . 2]" 1
102 1 7 TYR QD 1 35 ILE H 7.560 . 8.060 4.284 4.051 4.440 . 0 0 "[ . 1 . 2]" 1
103 1 7 TYR QE 1 26 LEU QD 10.190 . 10.690 2.205 2.002 2.691 . 0 0 "[ . 1 . 2]" 1
104 1 8 ARG H 1 33 PHE QB 6.730 . 7.230 2.903 2.607 3.077 . 0 0 "[ . 1 . 2]" 1
105 1 8 ARG H 1 35 ILE QG 6.730 . 7.230 2.966 2.852 3.202 . 0 0 "[ . 1 . 2]" 1
106 1 8 ARG HA 1 9 ASP H . . 3.100 2.104 2.078 2.137 . 0 0 "[ . 1 . 2]" 1
107 1 8 ARG HA 1 15 THR HA 3.500 . 4.000 2.332 2.233 2.486 . 0 0 "[ . 1 . 2]" 1
108 1 8 ARG HA 1 15 THR HB 6.000 . 6.500 4.322 4.135 4.520 . 0 0 "[ . 1 . 2]" 1
109 1 8 ARG HA 1 15 THR MG 7.210 . 7.710 2.745 2.387 3.013 . 0 0 "[ . 1 . 2]" 1
110 1 8 ARG HA 1 16 TRP H 6.000 . 6.500 3.864 3.735 4.101 . 0 0 "[ . 1 . 2]" 1
111 1 8 ARG HA 1 35 ILE MD 7.210 . 7.710 4.160 3.924 4.698 . 0 0 "[ . 1 . 2]" 1
112 1 8 ARG QB 1 9 ASP H 6.730 . 7.230 3.858 3.803 3.917 . 0 0 "[ . 1 . 2]" 1
113 1 8 ARG QB 1 15 THR HA 6.730 . 7.230 3.710 3.469 3.977 . 0 0 "[ . 1 . 2]" 1
114 1 8 ARG QB 1 15 THR HB 7.560 . 8.060 4.360 4.274 4.464 . 0 0 "[ . 1 . 2]" 1
115 1 8 ARG QB 1 15 THR MG 3.770 . 4.270 2.353 2.276 2.425 . 0 0 "[ . 1 . 2]" 1
116 1 8 ARG QB 1 35 ILE MD 8.090 . 8.590 2.437 2.160 3.134 . 0 0 "[ . 1 . 2]" 1
117 1 8 ARG QB 1 35 ILE QG 7.560 . 8.060 2.707 2.431 3.185 . 0 0 "[ . 1 . 2]" 1
118 1 8 ARG QD 1 10 PRO HA 6.730 . 7.230 5.239 4.468 5.424 . 0 0 "[ . 1 . 2]" 1
119 1 8 ARG QD 1 15 THR MG 4.720 . 5.220 2.677 2.468 3.502 . 0 0 "[ . 1 . 2]" 1
120 1 8 ARG QD 1 35 ILE MD 8.090 . 8.590 3.651 3.339 5.070 . 0 0 "[ . 1 . 2]" 1
121 1 8 ARG QD 1 35 ILE QG 7.560 . 8.060 4.079 3.638 4.652 . 0 0 "[ . 1 . 2]" 1
122 1 8 ARG QD 1 35 ILE MG 8.090 . 8.590 5.115 4.527 5.710 . 0 0 "[ . 1 . 2]" 1
123 1 8 ARG QG 1 9 ASP H . . 4.200 2.952 2.818 3.146 . 0 0 "[ . 1 . 2]" 1
124 1 8 ARG QG 1 10 PRO HA 6.730 . 7.230 4.052 3.807 4.247 . 0 0 "[ . 1 . 2]" 1
125 1 8 ARG QG 1 13 GLY QA 7.560 . 8.060 2.813 2.667 2.925 . 0 0 "[ . 1 . 2]" 1
126 1 8 ARG QG 1 13 GLY QA 8.490 . 8.990 2.780 2.642 2.880 . 0 0 "[ . 1 . 2]" 1
127 1 8 ARG QG 1 13 GLY QA 11.190 . 11.690 2.745 2.622 2.839 . 0 0 "[ . 1 . 2]" 1
128 1 8 ARG QG 1 15 THR HA 6.730 . 7.230 3.407 3.126 3.953 . 0 0 "[ . 1 . 2]" 1
129 1 8 ARG QG 1 35 ILE MD 8.090 . 8.590 4.297 4.101 4.837 . 0 0 "[ . 1 . 2]" 1
130 1 9 ASP H 1 10 PRO HA 7.210 . 7.710 4.177 4.104 4.197 . 0 0 "[ . 1 . 2]" 1
131 1 9 ASP H 1 10 PRO QD 7.210 . 7.710 4.224 4.131 4.254 . 0 0 "[ . 1 . 2]" 1
132 1 9 ASP H 1 14 LYS H 6.000 . 6.500 4.041 3.945 4.133 . 0 0 "[ . 1 . 2]" 1
133 1 9 ASP H 1 14 LYS HA 6.000 . 6.500 4.903 4.837 4.953 . 0 0 "[ . 1 . 2]" 1
134 1 9 ASP H 1 15 THR HA 6.000 . 6.500 3.486 3.392 3.596 . 0 0 "[ . 1 . 2]" 1
135 1 9 ASP H 1 15 THR MG 7.210 . 7.710 4.091 3.814 4.268 . 0 0 "[ . 1 . 2]" 1
136 1 9 ASP H 1 25 TRP HH2 6.000 . 6.500 3.324 3.122 3.658 . 0 0 "[ . 1 . 2]" 1
137 1 9 ASP HA 1 10 PRO QD . . 2.970 2.091 2.074 2.126 . 0 0 "[ . 1 . 2]" 1
138 1 9 ASP HA 1 10 PRO QG 6.730 . 7.230 4.025 4.008 4.046 . 0 0 "[ . 1 . 2]" 1
139 1 9 ASP HA 1 25 TRP HE3 3.500 . 4.000 3.570 3.537 3.636 . 0 0 "[ . 1 . 2]" 1
140 1 9 ASP QB 1 10 PRO QD 8.810 . 9.310 3.385 3.348 3.410 . 0 0 "[ . 1 . 2]" 1
141 1 9 ASP QB 1 11 ALA H 7.560 . 8.060 2.739 2.660 3.581 . 0 0 "[ . 1 . 2]" 1
142 1 9 ASP QB 1 12 THR H 7.560 . 8.060 3.363 3.209 3.482 . 0 0 "[ . 1 . 2]" 1
143 1 9 ASP QB 1 13 GLY H 6.730 . 7.230 3.187 3.059 3.344 . 0 0 "[ . 1 . 2]" 1
144 1 9 ASP QB 1 14 LYS H 6.730 . 7.230 2.651 2.428 2.901 . 0 0 "[ . 1 . 2]" 1
145 1 9 ASP QB 1 14 LYS QB 7.560 . 8.060 2.434 2.294 2.641 . 0 0 "[ . 1 . 2]" 1
146 1 9 ASP QB 1 14 LYS QG 7.560 . 8.060 3.980 3.587 4.233 . 0 0 "[ . 1 . 2]" 1
147 1 9 ASP QB 1 14 LYS QG 9.890 . 10.390 3.837 3.514 4.050 . 0 0 "[ . 1 . 2]" 1
148 1 9 ASP QB 1 25 TRP HH2 6.730 . 7.230 4.061 3.855 4.335 . 0 0 "[ . 1 . 2]" 1
149 1 10 PRO HA 1 12 THR H 7.560 . 8.060 3.350 3.263 3.390 . 0 0 "[ . 1 . 2]" 1
150 1 10 PRO HA 1 12 THR HB 7.560 . 8.060 5.969 5.935 5.991 . 0 0 "[ . 1 . 2]" 1
151 1 10 PRO HA 1 13 GLY H 7.560 . 8.060 3.710 3.633 3.790 . 0 0 "[ . 1 . 2]" 1
152 1 10 PRO HA 1 11 ALA H 6.000 . 6.500 3.525 3.508 3.538 . 0 0 "[ . 1 . 2]" 1
153 1 10 PRO HA 1 11 ALA MB 7.210 . 7.710 4.998 4.983 5.009 . 0 0 "[ . 1 . 2]" 1
154 1 10 PRO HA 1 12 THR H 6.000 . 6.500 4.473 4.175 4.613 . 0 0 "[ . 1 . 2]" 1
155 1 10 PRO HA 1 13 GLY H 6.000 . 6.500 3.944 3.834 4.067 . 0 0 "[ . 1 . 2]" 1
156 1 10 PRO HA 1 13 GLY QA 6.730 . 7.230 4.133 3.935 4.400 . 0 0 "[ . 1 . 2]" 1
157 1 10 PRO QB 1 11 ALA H 6.730 . 7.230 3.540 2.971 3.588 . 0 0 "[ . 1 . 2]" 1
158 1 10 PRO QB 1 11 ALA HA 6.730 . 7.230 4.175 3.899 4.224 . 0 0 "[ . 1 . 2]" 1
159 1 10 PRO QD 1 11 ALA H 3.930 . 4.430 2.816 2.677 2.880 . 0 0 "[ . 1 . 2]" 1
160 1 10 PRO QD 1 12 THR MG 8.650 . 9.150 4.147 4.060 4.206 . 0 0 "[ . 1 . 2]" 1
161 1 10 PRO QD 1 11 ALA MB 8.090 . 8.590 3.936 3.811 4.016 . 0 0 "[ . 1 . 2]" 1
162 1 10 PRO QD 1 25 TRP HE3 6.730 . 7.230 4.539 4.447 4.708 . 0 0 "[ . 1 . 2]" 1
163 1 10 PRO QG 1 11 ALA H 6.730 . 7.230 2.804 2.699 4.055 . 0 0 "[ . 1 . 2]" 1
164 1 10 PRO QG 1 11 ALA H 8.490 . 8.990 2.741 2.441 3.685 . 0 0 "[ . 1 . 2]" 1
165 1 11 ALA H 1 11 ALA MB 2.640 . 3.140 2.203 2.179 2.214 . 0 0 "[ . 1 . 2]" 1
166 1 11 ALA H 1 12 THR H 6.000 . 6.500 2.623 2.519 2.690 . 0 0 "[ . 1 . 2]" 1
167 1 11 ALA H 1 12 THR MG 7.210 . 7.710 4.371 4.189 4.518 . 0 0 "[ . 1 . 2]" 1
168 1 11 ALA H 1 13 GLY H 6.000 . 6.500 3.906 3.838 4.110 . 0 0 "[ . 1 . 2]" 1
169 1 11 ALA HA 1 12 THR H 6.000 . 6.500 3.556 3.499 3.579 . 0 0 "[ . 1 . 2]" 1
170 1 11 ALA HA 1 12 THR MG 7.210 . 7.710 4.221 4.110 4.293 . 0 0 "[ . 1 . 2]" 1
171 1 11 ALA MB 1 12 THR H 7.210 . 7.710 2.709 2.563 3.027 . 0 0 "[ . 1 . 2]" 1
172 1 11 ALA MB 1 12 THR HA 7.210 . 7.710 4.240 4.204 4.323 . 0 0 "[ . 1 . 2]" 1
173 1 11 ALA MB 1 12 THR HB 8.650 . 9.150 4.707 4.617 4.826 . 0 0 "[ . 1 . 2]" 1
174 1 11 ALA MB 1 12 THR MG 4.040 . 4.540 2.584 2.518 2.683 . 0 0 "[ . 1 . 2]" 1
175 1 11 ALA MB 1 13 GLY H 7.210 . 7.710 4.485 4.336 4.664 . 0 0 "[ . 1 . 2]" 1
176 1 11 ALA MB 1 33 PHE QB 8.090 . 8.590 6.026 6.008 6.047 . 0 0 "[ . 1 . 2]" 1
177 1 12 THR H 1 12 THR MG 4.200 . 4.700 2.811 2.774 3.038 . 0 0 "[ . 1 . 2]" 1
178 1 12 THR H 1 13 GLY H . . 3.100 2.103 1.941 2.139 . 0 0 "[ . 1 . 2]" 1
179 1 12 THR H 1 13 GLY QA 6.730 . 7.230 4.099 3.959 4.125 . 0 0 "[ . 1 . 2]" 1
180 1 12 THR HA 1 12 THR HB 2.200 . 2.700 2.320 2.311 2.329 . 0 0 "[ . 1 . 2]" 1
181 1 12 THR HA 1 12 THR MG 2.640 . 3.140 2.254 2.248 2.258 . 0 0 "[ . 1 . 2]" 1
182 1 12 THR HA 1 13 GLY H 6.000 . 6.500 3.494 3.449 3.535 . 0 0 "[ . 1 . 2]" 1
183 1 12 THR HB 1 13 GLY H 6.000 . 6.500 4.163 4.023 4.259 . 0 0 "[ . 1 . 2]" 1
184 1 12 THR HB 1 14 LYS H 6.000 . 6.500 3.743 3.319 4.195 . 0 0 "[ . 1 . 2]" 1
185 1 12 THR HB 1 14 LYS QD 6.730 . 7.230 4.137 3.472 5.060 . 0 0 "[ . 1 . 2]" 1
186 1 12 THR HB 1 14 LYS QE 6.730 . 7.230 3.369 2.872 5.537 . 0 0 "[ . 1 . 2]" 1
187 1 12 THR HB 1 14 LYS QG 3.930 . 4.430 3.154 2.843 3.531 . 0 0 "[ . 1 . 2]" 1
188 1 12 THR MG 1 13 GLY H 7.210 . 7.710 4.195 4.150 4.262 . 0 0 "[ . 1 . 2]" 1
189 1 12 THR MG 1 14 LYS H 7.210 . 7.710 4.460 4.157 4.781 . 0 0 "[ . 1 . 2]" 1
190 1 12 THR MG 1 14 LYS QE 8.090 . 8.590 3.569 2.487 5.413 . 0 0 "[ . 1 . 2]" 1
191 1 13 GLY H 1 14 LYS H 3.300 . 3.800 2.642 2.600 2.668 . 0 0 "[ . 1 . 2]" 1
192 1 13 GLY QA 1 14 LYS H 6.730 . 7.230 2.975 2.966 2.990 . 0 0 "[ . 1 . 2]" 1
193 1 14 LYS H 1 14 LYS QE 6.730 . 7.230 4.354 3.529 4.813 . 0 0 "[ . 1 . 2]" 1
194 1 14 LYS H 1 14 LYS QG . . 3.420 2.307 2.170 2.399 . 0 0 "[ . 1 . 2]" 1
195 1 14 LYS HA 1 14 LYS QG 2.880 . 3.380 2.262 2.233 2.284 . 0 0 "[ . 1 . 2]" 1
196 1 14 LYS HA 1 15 THR H 2.200 . 2.700 2.248 2.234 2.261 . 0 0 "[ . 1 . 2]" 1
197 1 14 LYS HA 1 15 THR HA 6.000 . 6.500 4.483 4.456 4.503 . 0 0 "[ . 1 . 2]" 1
198 1 14 LYS HA 1 15 THR MG 7.210 . 7.710 3.642 3.539 3.743 . 0 0 "[ . 1 . 2]" 1
199 1 14 LYS QB 1 14 LYS QD 2.770 . 3.270 2.177 2.146 2.267 . 0 0 "[ . 1 . 2]" 1
200 1 14 LYS QB 1 15 THR HB 8.090 . 8.590 5.160 5.015 5.420 . 0 0 "[ . 1 . 2]" 1
201 1 14 LYS QB 1 25 TRP HE1 7.560 . 8.060 2.478 2.228 2.987 . 0 0 "[ . 1 . 2]" 1
202 1 14 LYS QB 1 15 THR H . . 4.200 2.789 2.753 2.830 . 0 0 "[ . 1 . 2]" 1
203 1 14 LYS QB 1 25 TRP HE1 6.730 . 7.230 2.648 2.379 3.174 . 0 0 "[ . 1 . 2]" 1
204 1 14 LYS QB 1 25 TRP HZ2 6.730 . 7.230 3.102 2.888 3.565 . 0 0 "[ . 1 . 2]" 1
205 1 14 LYS QD 1 25 TRP HE1 6.730 . 7.230 3.006 2.601 3.853 . 0 0 "[ . 1 . 2]" 1
206 1 14 LYS QG 1 15 THR H 6.730 . 7.230 3.757 3.710 3.910 . 0 0 "[ . 1 . 2]" 1
207 1 14 LYS QG 1 15 THR H 4.320 . 4.820 2.926 2.857 2.972 . 0 0 "[ . 1 . 2]" 1
208 1 15 THR HA 1 15 THR MG 3.360 . 3.860 2.336 2.307 2.352 . 0 0 "[ . 1 . 2]" 1
209 1 15 THR HA 1 16 TRP H . . 3.100 2.285 2.238 2.322 . 0 0 "[ . 1 . 2]" 1
210 1 15 THR HA 1 25 TRP HH2 6.000 . 6.500 2.954 2.672 3.387 . 0 0 "[ . 1 . 2]" 1
211 1 15 THR HA 1 25 TRP HZ2 6.000 . 6.500 3.219 2.875 3.659 . 0 0 "[ . 1 . 2]" 1
212 1 15 THR HB 1 16 TRP H 3.500 . 3.800 2.516 2.407 2.669 . 0 0 "[ . 1 . 2]" 1
213 1 15 THR HB 1 35 ILE MD 7.210 . 7.710 4.143 3.759 4.590 . 0 0 "[ . 1 . 2]" 1
214 1 15 THR MG 1 16 TRP H 7.210 . 7.710 3.515 3.479 3.547 . 0 0 "[ . 1 . 2]" 1
215 1 15 THR MG 1 35 ILE MD 5.050 . 5.550 3.215 2.889 3.506 . 0 0 "[ . 1 . 2]" 1
216 1 16 TRP H 1 25 TRP HH2 6.000 . 6.500 3.130 2.931 3.493 . 0 0 "[ . 1 . 2]" 1
217 1 16 TRP HA 1 16 TRP HD1 3.500 . 4.000 2.585 2.510 2.699 . 0 0 "[ . 1 . 2]" 1
218 1 16 TRP QB 1 23 PRO QG 7.560 . 8.060 2.239 2.143 2.469 . 0 0 "[ . 1 . 2]" 1
219 1 16 TRP QB 1 25 TRP HH2 6.730 . 7.230 2.981 2.528 3.424 . 0 0 "[ . 1 . 2]" 1
220 1 16 TRP QB 1 26 LEU QD 9.080 . 9.580 2.949 1.993 3.828 . 0 0 "[ . 1 . 2]" 1
221 1 16 TRP HE1 1 19 ARG H 6.000 . 6.500 3.092 2.685 3.637 . 0 0 "[ . 1 . 2]" 1
222 1 16 TRP HH2 1 18 GLY QA 3.930 . 4.430 2.676 2.529 3.005 . 0 0 "[ . 1 . 2]" 1
223 1 16 TRP HH2 1 22 GLN QB 6.730 . 7.230 3.801 2.943 4.986 . 0 0 "[ . 1 . 2]" 1
224 1 16 TRP HH2 1 22 GLN QG 6.730 . 7.230 4.202 2.696 5.409 . 0 0 "[ . 1 . 2]" 1
225 1 16 TRP HZ2 1 18 GLY QA 6.730 . 7.230 3.179 2.733 3.544 . 0 0 "[ . 1 . 2]" 1
226 1 16 TRP HZ2 1 22 GLN HA 6.000 . 6.500 3.522 3.128 3.947 . 0 0 "[ . 1 . 2]" 1
227 1 17 SER HA 1 17 SER QB 2.470 . 2.970 2.228 2.196 2.279 . 0 0 "[ . 1 . 2]" 1
228 1 17 SER HA 1 34 LEU QD 8.090 . 8.590 6.072 6.056 6.098 . 0 0 "[ . 1 . 2]" 1
229 1 17 SER QB 1 19 ARG H 7.560 . 8.060 4.013 3.418 4.578 . 0 0 "[ . 1 . 2]" 1
230 1 18 GLY QA 1 19 ARG H 6.730 . 7.230 2.936 2.876 2.980 . 0 0 "[ . 1 . 2]" 1
231 1 19 ARG HA 1 20 GLY H . . 3.100 2.247 2.168 2.338 . 0 0 "[ . 1 . 2]" 1
232 1 19 ARG HA 1 20 GLY QA 6.730 . 7.230 4.024 3.983 4.072 . 0 0 "[ . 1 . 2]" 1
233 1 19 ARG QB 1 20 GLY H 6.730 . 7.230 3.138 2.474 3.863 . 0 0 "[ . 1 . 2]" 1
234 1 19 ARG QB 1 20 GLY QA . . 8.990 3.599 3.370 3.833 . 0 0 "[ . 1 . 2]" 1
235 1 19 ARG QD 1 20 GLY QA . . 8.990 4.660 3.128 5.347 . 0 0 "[ . 1 . 2]" 1
236 1 19 ARG QG 1 20 GLY H 6.730 . 7.230 3.358 2.286 4.626 . 0 0 "[ . 1 . 2]" 1
237 1 20 GLY QA 1 21 ARG H 3.140 . 3.420 2.266 2.239 2.292 . 0 0 "[ . 1 . 2]" 1
238 1 21 ARG H 1 21 ARG HA 2.470 . 2.970 2.120 2.052 2.202 . 0 0 "[ . 1 . 2]" 1
239 1 21 ARG H 1 21 ARG QB 2.920 . 3.420 2.379 2.215 2.516 . 0 0 "[ . 1 . 2]" 1
240 1 21 ARG HA 1 21 ARG QG 3.530 . 4.030 2.474 2.376 2.866 . 0 0 "[ . 1 . 2]" 1
241 1 21 ARG HA 1 22 GLN H 2.600 . 3.100 2.180 2.103 2.279 . 0 0 "[ . 1 . 2]" 1
242 1 21 ARG HA 1 22 GLN HA 6.000 . 6.500 4.408 4.349 4.486 . 0 0 "[ . 1 . 2]" 1
243 1 21 ARG HA 1 22 GLN QB 8.490 . 8.990 3.948 3.799 4.113 . 0 0 "[ . 1 . 2]" 1
244 1 21 ARG QB 1 22 GLN H 4.160 . 4.660 2.740 2.081 3.423 . 0 0 "[ . 1 . 2]" 1
245 1 21 ARG QG 1 22 GLN H 3.280 . 3.780 2.261 2.079 2.533 . 0 0 "[ . 1 . 2]" 1
246 1 22 GLN H 1 22 GLN QB 3.280 . 3.780 2.143 2.022 2.401 . 0 0 "[ . 1 . 2]" 1
247 1 22 GLN HA 1 23 PRO QD 3.930 . 4.430 2.102 2.025 2.166 . 0 0 "[ . 1 . 2]" 1
248 1 22 GLN HA 1 23 PRO QG 6.730 . 7.230 4.038 3.953 4.110 . 0 0 "[ . 1 . 2]" 1
249 1 22 GLN QB 1 26 LEU QB 10.900 . 11.400 2.198 1.993 2.419 . 0 0 "[ . 1 . 2]" 1
250 1 22 GLN QB 1 26 LEU QD . . 6.860 2.060 1.824 2.680 . 0 0 "[ . 1 . 2]" 1
251 1 22 GLN QB 1 23 PRO QD 7.560 . 8.060 3.092 2.204 3.682 . 0 0 "[ . 1 . 2]" 1
252 1 22 GLN QB 1 30 PRO HA 7.850 . 8.350 4.956 4.829 5.016 . 0 0 "[ . 1 . 2]" 1
253 1 22 GLN QB 1 30 PRO QD . . 9.810 4.326 4.138 4.498 . 0 0 "[ . 1 . 2]" 1
254 1 22 GLN QE 1 24 ALA HA 8.090 . 8.590 4.789 3.243 5.750 . 0 0 "[ . 1 . 2]" 1
255 1 22 GLN QE 1 26 LEU QB 7.560 . 8.060 3.463 2.337 4.596 . 0 0 "[ . 1 . 2]" 1
256 1 22 GLN QE 1 27 GLY H 6.730 . 7.230 4.902 2.983 6.023 . 0 0 "[ . 1 . 2]" 1
257 1 22 GLN QE 1 30 PRO QD 7.560 . 8.060 5.579 3.386 6.017 . 0 0 "[ . 1 . 2]" 1
258 1 22 GLN QE 1 30 PRO QG 7.560 . 8.060 4.561 2.640 5.463 . 0 0 "[ . 1 . 2]" 1
259 1 22 GLN QG 1 26 LEU QB 8.490 . 8.990 2.311 1.998 2.711 . 0 0 "[ . 1 . 2]" 1
260 1 22 GLN QG 1 26 LEU QB 7.560 . 8.060 2.743 2.099 3.986 . 0 0 "[ . 1 . 2]" 1
261 1 22 GLN QG 1 26 LEU QD 9.080 . 9.580 2.732 1.979 3.991 . 0 0 "[ . 1 . 2]" 1
262 1 23 PRO HA 1 24 ALA H 6.000 . 6.500 2.318 2.225 2.400 . 0 0 "[ . 1 . 2]" 1
263 1 23 PRO HA 1 25 TRP HE1 6.000 . 6.500 5.077 4.725 5.358 . 0 0 "[ . 1 . 2]" 1
264 1 23 PRO QB 1 24 ALA H 6.730 . 7.230 2.838 2.628 3.126 . 0 0 "[ . 1 . 2]" 1
265 1 23 PRO QB 1 25 TRP H 6.730 . 7.230 3.016 2.837 3.238 . 0 0 "[ . 1 . 2]" 1
266 1 23 PRO QB 1 25 TRP H . . 8.060 2.888 2.738 3.051 . 0 0 "[ . 1 . 2]" 1
267 1 23 PRO QB 1 25 TRP HD1 6.730 . 7.230 3.207 2.849 3.754 . 0 0 "[ . 1 . 2]" 1
268 1 23 PRO QB 1 25 TRP HE1 6.730 . 7.230 2.614 2.476 2.811 . 0 0 "[ . 1 . 2]" 1
269 1 23 PRO QB 1 26 LEU QD 9.080 . 9.580 3.863 2.146 4.622 . 0 0 "[ . 1 . 2]" 1
270 1 23 PRO QG 1 25 TRP HE1 6.730 . 7.230 3.430 2.799 4.101 . 0 0 "[ . 1 . 2]" 1
271 1 23 PRO QG 1 26 LEU QD 9.080 . 9.580 2.771 2.449 3.379 . 0 0 "[ . 1 . 2]" 1
272 1 24 ALA HA 1 25 TRP H 6.000 . 6.500 3.589 3.562 3.607 . 0 0 "[ . 1 . 2]" 1
273 1 24 ALA HA 1 26 LEU H 6.000 . 6.500 4.047 3.890 4.267 . 0 0 "[ . 1 . 2]" 1
274 1 24 ALA HA 1 27 GLY H 6.000 . 6.500 3.910 3.662 4.368 . 0 0 "[ . 1 . 2]" 1
275 1 24 ALA MB 1 25 TRP H 7.210 . 7.710 2.694 2.552 2.788 . 0 0 "[ . 1 . 2]" 1
276 1 24 ALA MB 1 25 TRP HA 7.210 . 7.710 3.989 3.926 4.069 . 0 0 "[ . 1 . 2]" 1
277 1 25 TRP H 1 25 TRP HD1 6.000 . 6.500 2.468 2.294 2.709 . 0 0 "[ . 1 . 2]" 1
278 1 25 TRP H 1 25 TRP HE3 6.000 . 6.500 4.956 4.680 5.174 . 0 0 "[ . 1 . 2]" 1
279 1 25 TRP H 1 26 LEU H 6.000 . 6.500 2.770 2.681 2.851 . 0 0 "[ . 1 . 2]" 1
280 1 25 TRP HA 1 25 TRP QB 2.470 . 2.970 2.156 2.146 2.177 . 0 0 "[ . 1 . 2]" 1
281 1 25 TRP HA 1 26 LEU H 6.000 . 6.500 3.503 3.480 3.528 . 0 0 "[ . 1 . 2]" 1
282 1 25 TRP HA 1 26 LEU HA 6.730 . 7.230 3.869 3.469 4.141 . 0 0 "[ . 1 . 2]" 1
283 1 25 TRP HA 1 27 GLY H 6.000 . 6.500 3.960 3.624 4.851 . 0 0 "[ . 1 . 2]" 1
284 1 25 TRP QB 1 26 LEU HA 6.730 . 7.230 4.330 4.046 4.483 . 0 0 "[ . 1 . 2]" 1
285 1 25 TRP HE3 1 26 LEU HA 7.210 . 7.710 3.065 2.707 3.415 . 0 0 "[ . 1 . 2]" 1
286 1 25 TRP HE3 1 26 LEU QD 8.090 . 8.590 3.198 2.757 4.108 . 0 0 "[ . 1 . 2]" 1
287 1 25 TRP HE3 1 32 ALA MB 9.420 . 9.920 4.451 3.428 5.605 . 0 0 "[ . 1 . 2]" 1
288 1 25 TRP HE3 1 30 PRO HA 6.000 . 6.500 5.992 5.632 6.113 . 0 0 "[ . 1 . 2]" 1
289 1 25 TRP HE3 1 33 PHE H 6.000 . 6.500 6.024 5.898 6.067 . 0 0 "[ . 1 . 2]" 1
290 1 25 TRP HE3 1 33 PHE QB 6.730 . 7.230 3.638 3.195 4.319 . 0 0 "[ . 1 . 2]" 1
291 1 25 TRP HH2 1 26 LEU HA 6.000 . 6.500 5.973 5.367 6.073 . 0 0 "[ . 1 . 2]" 1
292 1 25 TRP HH2 1 26 LEU QD 8.090 . 8.590 3.377 2.891 3.741 . 0 0 "[ . 1 . 2]" 1
293 1 25 TRP HZ3 1 26 LEU QD 8.090 . 8.590 2.701 2.243 3.393 . 0 0 "[ . 1 . 2]" 1
294 1 25 TRP HZ3 1 33 PHE QB 6.730 . 7.230 2.571 2.134 3.179 . 0 0 "[ . 1 . 2]" 1
295 1 26 LEU H 1 27 GLY H 6.000 . 6.500 2.687 2.564 2.803 . 0 0 "[ . 1 . 2]" 1
296 1 26 LEU HA 1 27 GLY H 6.000 . 6.500 3.483 3.437 3.567 . 0 0 "[ . 1 . 2]" 1
297 1 26 LEU HA 1 27 GLY QA 7.560 . 8.060 4.272 4.212 4.328 . 0 0 "[ . 1 . 2]" 1
298 1 26 LEU QB 1 27 GLY H 6.730 . 7.230 2.993 2.538 3.187 . 0 0 "[ . 1 . 2]" 1
299 1 26 LEU QB 1 30 PRO HA 6.730 . 7.230 5.069 4.553 5.702 . 0 0 "[ . 1 . 2]" 1
300 1 26 LEU QB 1 30 PRO QB 7.560 . 8.060 5.247 3.917 6.002 . 0 0 "[ . 1 . 2]" 1
301 1 26 LEU QB 1 30 PRO QG 7.560 . 8.060 4.546 3.828 5.213 . 0 0 "[ . 1 . 2]" 1
302 1 26 LEU QD 1 27 GLY QA 10.900 . 11.400 3.289 2.642 4.065 . 0 0 "[ . 1 . 2]" 1
303 1 26 LEU QD 1 30 PRO HA 8.090 . 8.590 2.983 2.049 4.212 . 0 0 "[ . 1 . 2]" 1
304 1 26 LEU QD 1 30 PRO QB 9.080 . 9.580 2.846 2.257 4.130 . 0 0 "[ . 1 . 2]" 1
305 1 26 LEU QD 1 30 PRO QD 10.190 . 10.690 3.517 2.663 4.347 . 0 0 "[ . 1 . 2]" 1
306 1 26 LEU QD 1 30 PRO QG 9.080 . 9.580 2.789 2.240 4.140 . 0 0 "[ . 1 . 2]" 1
307 1 26 LEU QD 1 33 PHE H 8.090 . 8.590 4.908 4.049 5.871 . 0 0 "[ . 1 . 2]" 1
308 1 26 LEU QD 1 33 PHE QB 9.080 . 9.580 4.041 2.693 5.143 . 0 0 "[ . 1 . 2]" 1
309 1 26 LEU QD 1 33 PHE QE 9.080 . 9.580 2.511 1.922 3.341 . 0 0 "[ . 1 . 2]" 1
310 1 26 LEU HG 1 30 PRO HA 6.000 . 6.500 3.761 2.522 5.593 . 0 0 "[ . 1 . 2]" 1
311 1 26 LEU HG 1 30 PRO QB 6.730 . 7.230 4.042 2.385 5.771 . 0 0 "[ . 1 . 2]" 1
312 1 27 GLY H 1 28 ASN H 6.000 . 6.500 3.623 2.674 4.673 . 0 0 "[ . 1 . 2]" 1
313 1 27 GLY QA 1 28 ASN H 3.930 . 4.200 2.578 2.128 2.728 . 0 0 "[ . 1 . 2]" 1
314 1 27 GLY QA 1 28 ASN H 3.280 . 3.780 2.513 2.125 2.702 . 0 0 "[ . 1 . 2]" 1
315 1 27 GLY QA 1 29 ASP H 6.730 . 7.230 4.485 3.365 5.063 . 0 0 "[ . 1 . 2]" 1
316 1 27 GLY QA 1 29 ASP H 7.560 . 8.060 3.047 2.783 3.239 . 0 0 "[ . 1 . 2]" 1
317 1 27 GLY QA 1 29 ASP QB 9.080 . 9.580 3.792 3.583 3.837 . 0 0 "[ . 1 . 2]" 1
318 1 28 ASN H 1 29 ASP H 3.300 . 3.800 2.561 2.182 3.109 . 0 0 "[ . 1 . 2]" 1
319 1 28 ASN HA 1 29 ASP H 6.000 . 6.500 3.543 3.139 3.632 . 0 0 "[ . 1 . 2]" 1
320 1 28 ASN HA 1 30 PRO QD 6.730 . 7.230 4.621 3.645 5.309 . 0 0 "[ . 1 . 2]" 1
321 1 28 ASN QB 1 29 ASP H 6.730 . 7.230 2.613 2.142 4.037 . 0 0 "[ . 1 . 2]" 1
322 1 29 ASP H 1 30 PRO QD 6.730 . 7.230 3.124 2.819 3.312 . 0 0 "[ . 1 . 2]" 1
323 1 29 ASP HA 1 30 PRO QD 2.470 . 2.970 2.165 2.068 2.204 . 0 0 "[ . 1 . 2]" 1
324 1 29 ASP HA 1 30 PRO QG 6.730 . 7.230 4.104 3.988 4.147 . 0 0 "[ . 1 . 2]" 1
325 1 29 ASP HA 1 31 ALA H 6.000 . 6.500 3.941 3.626 4.131 . 0 0 "[ . 1 . 2]" 1
326 1 29 ASP HA 1 31 ALA MB 7.210 . 7.710 4.892 4.592 5.122 . 0 0 "[ . 1 . 2]" 1
327 1 29 ASP QB 1 30 PRO QD 7.560 . 8.060 3.858 3.603 3.885 . 0 0 "[ . 1 . 2]" 1
328 1 29 ASP QB 1 31 ALA H 6.730 . 7.230 4.456 3.855 4.825 . 0 0 "[ . 1 . 2]" 1
329 1 29 ASP QB 1 32 ALA H 6.730 . 7.230 3.887 3.362 4.995 . 0 0 "[ . 1 . 2]" 1
330 1 29 ASP QB 1 32 ALA MB 8.090 . 8.590 3.174 2.362 4.848 . 0 0 "[ . 1 . 2]" 1
331 1 30 PRO HA 1 31 ALA H 6.000 . 6.500 3.570 3.407 3.608 . 0 0 "[ . 1 . 2]" 1
332 1 30 PRO HA 1 32 ALA H 6.000 . 6.500 4.030 3.822 4.144 . 0 0 "[ . 1 . 2]" 1
333 1 30 PRO HA 1 33 PHE H 6.000 . 6.500 4.032 3.751 4.603 . 0 0 "[ . 1 . 2]" 1
334 1 30 PRO HA 1 33 PHE QB 6.730 . 7.230 5.365 4.640 6.010 . 0 0 "[ . 1 . 2]" 1
335 1 30 PRO QB 1 31 ALA H 6.730 . 7.230 2.875 2.655 3.412 . 0 0 "[ . 1 . 2]" 1
336 1 30 PRO QB 1 33 PHE QE 7.560 . 8.060 3.663 2.512 4.091 . 0 0 "[ . 1 . 2]" 1
337 1 30 PRO QD 1 31 ALA H 6.730 . 7.230 3.216 3.111 3.337 . 0 0 "[ . 1 . 2]" 1
338 1 30 PRO QD 1 31 ALA MB 8.090 . 8.590 4.436 4.315 4.596 . 0 0 "[ . 1 . 2]" 1
339 1 30 PRO QD 1 32 ALA H 6.730 . 7.230 4.958 4.707 5.453 . 0 0 "[ . 1 . 2]" 1
340 1 30 PRO QD 1 32 ALA H 7.560 . 8.060 4.539 4.392 4.834 . 0 0 "[ . 1 . 2]" 1
341 1 30 PRO QG 1 31 ALA H 6.730 . 7.230 4.154 2.741 4.464 . 0 0 "[ . 1 . 2]" 1
342 1 31 ALA H 1 31 ALA HA 2.800 . 3.300 2.825 2.778 2.896 . 0 0 "[ . 1 . 2]" 1
343 1 31 ALA H 1 31 ALA MB 2.640 . 3.140 2.191 2.174 2.205 . 0 0 "[ . 1 . 2]" 1
344 1 31 ALA H 1 32 ALA H 3.300 . 3.800 2.857 2.588 2.987 . 0 0 "[ . 1 . 2]" 1
345 1 31 ALA H 1 32 ALA MB 7.210 . 7.710 4.444 4.142 4.582 . 0 0 "[ . 1 . 2]" 1
346 1 31 ALA H 1 33 PHE H 6.000 . 6.500 4.623 4.499 4.853 . 0 0 "[ . 1 . 2]" 1
347 1 31 ALA HA 1 32 ALA H 6.000 . 6.500 3.518 3.494 3.554 . 0 0 "[ . 1 . 2]" 1
348 1 31 ALA HA 1 33 PHE H 6.000 . 6.500 4.004 3.781 4.172 . 0 0 "[ . 1 . 2]" 1
349 1 31 ALA HA 1 33 PHE QE 6.730 . 7.230 5.919 5.057 6.094 . 0 0 "[ . 1 . 2]" 1
350 1 31 ALA HA 1 34 LEU H 6.000 . 6.500 3.384 3.152 3.820 . 0 0 "[ . 1 . 2]" 1
351 1 31 ALA HA 1 34 LEU QB 6.730 . 7.230 2.480 2.234 3.385 . 0 0 "[ . 1 . 2]" 1
352 1 31 ALA HA 1 34 LEU QD 3.770 . 4.270 2.516 2.241 2.811 . 0 0 "[ . 1 . 2]" 1
353 1 31 ALA HA 1 34 LEU HG 6.000 . 6.500 4.070 3.170 4.921 . 0 0 "[ . 1 . 2]" 1
354 1 31 ALA MB 1 32 ALA H 7.210 . 7.710 3.010 2.856 3.116 . 0 0 "[ . 1 . 2]" 1
355 1 31 ALA MB 1 32 ALA H 4.320 . 4.820 2.980 2.831 3.069 . 0 0 "[ . 1 . 2]" 1
356 1 31 ALA MB 1 32 ALA HA 7.210 . 7.710 4.014 3.840 4.109 . 0 0 "[ . 1 . 2]" 1
357 1 31 ALA MB 1 33 PHE QE 8.090 . 8.590 5.818 5.376 6.029 . 0 0 "[ . 1 . 2]" 1
358 1 31 ALA MB 1 34 LEU QD 5.670 . 6.170 3.383 3.181 3.516 . 0 0 "[ . 1 . 2]" 1
359 1 32 ALA H 1 32 ALA MB 2.640 . 3.140 2.192 2.176 2.203 . 0 0 "[ . 1 . 2]" 1
360 1 32 ALA H 1 33 PHE H 3.300 . 3.800 2.709 2.635 2.797 . 0 0 "[ . 1 . 2]" 1
361 1 32 ALA HA 1 33 PHE H 6.000 . 6.500 3.506 3.467 3.537 . 0 0 "[ . 1 . 2]" 1
362 1 32 ALA HA 1 34 LEU H 6.000 . 6.500 4.664 4.303 4.950 . 0 0 "[ . 1 . 2]" 1
363 1 32 ALA MB 1 33 PHE H . . 4.460 2.894 2.770 2.988 . 0 0 "[ . 1 . 2]" 1
364 1 32 ALA MB 1 34 LEU H 7.210 . 7.710 4.621 4.530 4.722 . 0 0 "[ . 1 . 2]" 1
365 1 33 PHE H 1 34 LEU H 2.600 . 3.100 2.157 1.973 2.423 . 0 0 "[ . 1 . 2]" 1
366 1 33 PHE H 1 34 LEU QB 6.730 . 7.230 3.824 3.603 4.246 . 0 0 "[ . 1 . 2]" 1
367 1 33 PHE H 1 34 LEU QB 7.210 . 7.710 3.660 3.485 3.846 . 0 0 "[ . 1 . 2]" 1
368 1 33 PHE HA 1 34 LEU H 6.000 . 6.500 3.267 3.049 3.426 . 0 0 "[ . 1 . 2]" 1
369 1 33 PHE QB 1 34 LEU H 6.730 . 7.230 3.877 3.475 4.070 . 0 0 "[ . 1 . 2]" 1
370 1 33 PHE QE 1 34 LEU H 6.730 . 7.230 5.016 4.706 5.209 . 0 0 "[ . 1 . 2]" 1
371 1 33 PHE QE 1 34 LEU QB 7.560 . 8.060 5.689 4.190 6.048 . 0 0 "[ . 1 . 2]" 1
372 1 33 PHE QE 1 34 LEU QD 9.080 . 9.580 5.160 3.842 5.675 . 0 0 "[ . 1 . 2]" 1
373 1 33 PHE QE 1 34 LEU HG 6.730 . 7.230 5.450 4.390 6.234 . 0 0 "[ . 1 . 2]" 1
374 1 34 LEU H 1 34 LEU QB . . 3.420 2.111 1.998 2.202 . 0 0 "[ . 1 . 2]" 1
375 1 34 LEU H 1 35 ILE H 6.000 . 6.500 4.620 4.525 4.675 . 0 0 "[ . 1 . 2]" 1
376 1 34 LEU HA 1 34 LEU QB 2.640 . 3.140 2.253 2.155 2.312 . 0 0 "[ . 1 . 2]" 1
377 1 34 LEU HA 1 35 ILE H 2.200 . 2.700 2.191 2.132 2.225 . 0 0 "[ . 1 . 2]" 1
378 1 34 LEU HA 1 35 ILE HB 6.000 . 6.500 4.660 4.556 4.769 . 0 0 "[ . 1 . 2]" 1
379 1 34 LEU HA 1 35 ILE QG 6.730 . 7.230 3.739 3.412 3.916 . 0 0 "[ . 1 . 2]" 1
380 1 34 LEU HA 1 36 GLN H 6.000 . 6.500 5.955 5.747 6.086 . 0 0 "[ . 1 . 2]" 1
381 1 34 LEU HA 1 36 GLN QG 6.730 . 7.230 5.304 4.536 6.016 . 0 0 "[ . 1 . 2]" 1
382 1 34 LEU QB 1 35 ILE H 3.280 . 3.780 2.408 2.244 2.504 . 0 0 "[ . 1 . 2]" 1
383 1 34 LEU QB 1 36 GLN H 7.560 . 8.060 4.034 3.914 4.151 . 0 0 "[ . 1 . 2]" 1
384 1 34 LEU QB 1 35 ILE H 6.730 . 7.230 3.363 3.020 3.787 . 0 0 "[ . 1 . 2]" 1
385 1 34 LEU QB 1 36 GLN QG 7.560 . 8.060 3.523 2.458 4.579 . 0 0 "[ . 1 . 2]" 1
386 1 34 LEU QD 1 35 ILE H 8.090 . 8.590 2.684 2.279 3.161 . 0 0 "[ . 1 . 2]" 1
387 1 34 LEU QD 1 36 GLN QB 9.080 . 9.580 4.539 2.775 5.984 . 0 0 "[ . 1 . 2]" 1
388 1 35 ILE H 1 35 ILE HB 3.500 . 4.000 2.509 2.424 2.695 . 0 0 "[ . 1 . 2]" 1
389 1 35 ILE H 1 35 ILE QG 3.930 . 4.200 2.381 2.180 2.703 . 0 0 "[ . 1 . 2]" 1
390 1 35 ILE H 1 36 GLN H 6.000 . 6.500 4.505 4.346 4.567 . 0 0 "[ . 1 . 2]" 1
391 1 35 ILE HA 1 35 ILE MG 3.360 . 3.860 2.366 2.276 2.478 . 0 0 "[ . 1 . 2]" 1
392 1 35 ILE HA 1 36 GLN H 2.200 . 2.700 2.141 2.106 2.170 . 0 0 "[ . 1 . 2]" 1
393 1 35 ILE HA 1 36 GLN QG 6.730 . 7.230 3.781 3.394 4.138 . 0 0 "[ . 1 . 2]" 1
394 1 35 ILE HB 1 35 ILE MD 2.640 . 3.140 2.266 2.251 2.279 . 0 0 "[ . 1 . 2]" 1
395 1 35 ILE HB 1 36 GLN H 6.000 . 6.500 4.281 4.133 4.423 . 0 0 "[ . 1 . 2]" 1
396 1 35 ILE HB 1 38 ASP H 7.210 . 7.710 4.787 4.456 5.030 . 0 0 "[ . 1 . 2]" 1
397 1 35 ILE MD 1 35 ILE MG 3.170 . 3.670 2.119 2.096 2.132 . 0 0 "[ . 1 . 2]" 1
398 1 35 ILE MD 1 36 GLN H 7.210 . 7.710 5.240 5.082 5.394 . 0 0 "[ . 1 . 2]" 1
399 1 35 ILE QG 1 36 GLN H 6.730 . 7.230 4.182 4.013 4.366 . 0 0 "[ . 1 . 2]" 1
400 1 35 ILE MG 1 36 GLN H . . 4.460 2.741 2.499 2.993 . 0 0 "[ . 1 . 2]" 1
401 1 35 ILE MG 1 36 GLN QB 8.090 . 8.590 4.535 4.134 4.712 . 0 0 "[ . 1 . 2]" 1
402 1 35 ILE MG 1 36 GLN QG 8.090 . 8.590 4.518 4.222 4.723 . 0 0 "[ . 1 . 2]" 1
403 1 35 ILE MG 1 38 ASP H 7.210 . 7.710 5.825 4.939 6.058 . 0 0 "[ . 1 . 2]" 1
404 1 36 GLN H 1 37 PRO QD 6.730 . 7.230 4.424 4.386 4.496 . 0 0 "[ . 1 . 2]" 1
405 1 36 GLN HA 1 37 PRO QD 2.470 . 2.970 2.145 2.032 2.208 . 0 0 "[ . 1 . 2]" 1
406 1 36 GLN HA 1 37 PRO QG 6.730 . 7.230 4.082 3.894 4.159 . 0 0 "[ . 1 . 2]" 1
407 1 36 GLN QB 1 38 ASP H 4.160 . 4.660 2.929 2.562 3.371 . 0 0 "[ . 1 . 2]" 1
408 1 36 GLN QB 1 39 LEU H 7.560 . 8.060 3.327 2.311 4.346 . 0 0 "[ . 1 . 2]" 1
409 1 36 GLN QB 1 37 PRO QD 4.410 . 4.910 2.271 2.180 2.448 . 0 0 "[ . 1 . 2]" 1
410 1 36 GLN QB 1 38 ASP H 6.730 . 7.230 3.767 2.604 6.030 . 0 0 "[ . 1 . 2]" 1
411 1 36 GLN QG 1 37 PRO QD . . 8.060 3.524 3.065 3.914 . 0 0 "[ . 1 . 2]" 1
412 1 36 GLN QG 1 38 ASP H 6.730 . 7.230 4.830 2.248 5.671 . 0 0 "[ . 1 . 2]" 1
413 1 37 PRO HA 1 38 ASP H . . 3.800 2.938 2.151 3.431 . 0 0 "[ . 1 . 2]" 1
414 1 37 PRO HA 1 38 ASP QB 6.730 . 7.230 4.371 3.993 5.026 . 0 0 "[ . 1 . 2]" 1
415 1 37 PRO HA 1 39 LEU H 6.730 . 7.230 3.802 2.953 4.685 . 0 0 "[ . 1 . 2]" 1
416 1 37 PRO QB 1 38 ASP H 6.730 . 7.230 3.534 2.892 4.113 . 0 0 "[ . 1 . 2]" 1
417 1 37 PRO QB 1 39 LEU H 6.730 . 7.230 3.548 2.317 4.764 . 0 0 "[ . 1 . 2]" 1
418 1 37 PRO QB 1 39 LEU QB 10.900 . 11.400 3.013 2.181 4.076 . 0 0 "[ . 1 . 2]" 1
419 1 37 PRO QB 1 41 ALA H 7.560 . 8.060 3.066 2.741 3.873 . 0 0 "[ . 1 . 2]" 1
420 1 37 PRO QB 1 41 ALA HA 7.560 . 8.060 4.368 4.000 4.902 . 0 0 "[ . 1 . 2]" 1
421 1 37 PRO QB 1 41 ALA HA 7.850 . 8.350 4.050 3.783 4.381 . 0 0 "[ . 1 . 2]" 1
422 1 37 PRO QD 1 38 ASP H 6.730 . 7.230 3.702 2.812 4.971 . 0 0 "[ . 1 . 2]" 1
423 1 37 PRO QG 1 38 ASP H 6.730 . 7.230 3.940 2.723 4.688 . 0 0 "[ . 1 . 2]" 1
424 1 37 PRO QG 1 39 LEU QD 12.240 . 12.740 3.158 2.097 3.953 . 0 0 "[ . 1 . 2]" 1
425 1 37 PRO QG 1 41 ALA H 7.560 . 8.060 4.211 3.504 4.589 . 0 0 "[ . 1 . 2]" 1
426 1 37 PRO QG 1 41 ALA H 6.730 . 7.230 5.435 3.648 6.026 . 0 0 "[ . 1 . 2]" 1
427 1 38 ASP H 1 38 ASP HA . . 3.100 2.614 2.256 2.802 . 0 0 "[ . 1 . 2]" 1
428 1 38 ASP H 1 39 LEU H 6.000 . 6.500 2.772 2.101 2.999 . 0 0 "[ . 1 . 2]" 1
429 1 38 ASP HA 1 39 LEU H 3.500 . 4.000 3.276 2.794 3.534 . 0 0 "[ . 1 . 2]" 1
430 1 38 ASP HA 1 39 LEU H 2.920 . 3.420 2.715 2.557 2.787 . 0 0 "[ . 1 . 2]" 1
431 1 38 ASP QB 1 39 LEU H 6.730 . 7.230 3.213 2.491 3.941 . 0 0 "[ . 1 . 2]" 1
432 1 39 LEU H 1 39 LEU QB 3.140 . 3.420 2.602 2.301 2.727 . 0 0 "[ . 1 . 2]" 1
433 1 39 LEU H 1 40 PRO HA 6.000 . 6.500 5.021 4.590 5.817 . 0 0 "[ . 1 . 2]" 1
434 1 39 LEU H 1 40 PRO QD 6.730 . 7.230 4.349 4.002 4.460 . 0 0 "[ . 1 . 2]" 1
435 1 39 LEU H 1 40 PRO QD 7.560 . 8.060 4.234 3.960 4.428 . 0 0 "[ . 1 . 2]" 1
436 1 39 LEU HA 1 40 PRO QD 2.470 . 2.970 2.138 2.019 2.218 . 0 0 "[ . 1 . 2]" 1
437 1 39 LEU QB 1 40 PRO QD 7.560 . 8.060 2.588 2.192 3.644 . 0 0 "[ . 1 . 2]" 1
438 1 39 LEU QB 1 40 PRO QD . . 5.450 2.564 2.183 3.523 . 0 0 "[ . 1 . 2]" 1
439 1 39 LEU QD 1 40 PRO QD . . 6.860 2.439 2.075 3.130 . 0 0 "[ . 1 . 2]" 1
440 1 40 PRO HA 1 41 ALA H 2.200 . 2.700 2.226 2.147 2.346 . 0 0 "[ . 1 . 2]" 1
441 1 40 PRO HA 1 41 ALA MB 7.210 . 7.710 3.951 3.768 4.275 . 0 0 "[ . 1 . 2]" 1
442 1 40 PRO HA 1 42 ILE MD 9.080 . 9.580 4.695 2.847 5.930 . 0 0 "[ . 1 . 2]" 1
443 1 40 PRO HA 1 43 LEU QB 6.730 . 7.230 5.408 3.081 6.015 . 0 0 "[ . 1 . 2]" 1
444 1 40 PRO QB 1 42 ILE H 3.120 . 3.620 2.619 2.554 2.664 . 0 0 "[ . 1 . 2]" 1
445 1 40 PRO QB 1 43 LEU H 7.850 . 8.350 3.744 3.027 4.227 . 0 0 "[ . 1 . 2]" 1
446 1 40 PRO QB 1 42 ILE MD 10.190 . 10.690 5.048 2.800 6.721 . 0 0 "[ . 1 . 2]" 1
447 1 40 PRO QD 1 41 ALA H 6.730 . 7.230 4.855 4.194 4.991 . 0 0 "[ . 1 . 2]" 1
448 1 41 ALA H 1 41 ALA MB 3.360 . 3.620 2.392 2.190 2.628 . 0 0 "[ . 1 . 2]" 1
449 1 41 ALA H 1 42 ILE H 6.000 . 6.500 3.826 2.431 4.651 . 0 0 "[ . 1 . 2]" 1
450 1 41 ALA HA 1 42 ILE H 2.800 . 3.100 2.512 2.125 2.747 . 0 0 "[ . 1 . 2]" 1
451 1 41 ALA HA 1 42 ILE MD 9.080 . 9.580 4.004 3.358 4.369 . 0 0 "[ . 1 . 2]" 1
452 1 41 ALA MB 1 42 ILE H 7.210 . 7.710 3.085 2.305 3.773 . 0 0 "[ . 1 . 2]" 1
453 1 41 ALA MB 1 43 LEU H 7.210 . 7.710 4.358 3.251 5.083 . 0 0 "[ . 1 . 2]" 1
454 1 42 ILE H 1 43 LEU H 3.300 . 3.800 3.167 2.722 3.418 . 0 0 "[ . 1 . 2]" 1
455 1 42 ILE HA 1 43 LEU H 2.600 . 3.100 2.345 2.259 2.421 . 0 0 "[ . 1 . 2]" 1
456 1 42 ILE HA 1 43 LEU H 2.470 . 2.970 2.307 2.242 2.353 . 0 0 "[ . 1 . 2]" 1
457 1 42 ILE HA 1 43 LEU QB 6.730 . 7.230 4.369 4.170 4.724 . 0 0 "[ . 1 . 2]" 1
458 1 42 ILE HB 1 43 LEU H 6.730 . 7.230 4.294 4.140 4.444 . 0 0 "[ . 1 . 2]" 1
459 1 42 ILE QG 1 43 LEU H 6.730 . 7.230 4.448 4.058 4.865 . 0 0 "[ . 1 . 2]" 1
460 1 43 LEU H 1 43 LEU QB 3.120 . 3.620 2.419 2.083 2.619 . 0 0 "[ . 1 . 2]" 1
461 1 43 LEU HA 1 43 LEU QD 3.770 . 4.270 2.157 2.111 2.195 . 0 0 "[ . 1 . 2]" 1
462 1 44 GLU HA 1 44 GLU QB 2.470 . 2.970 2.283 2.165 2.318 . 0 0 "[ . 1 . 2]" 1
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