Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
483764 | 2cps RC | 4197 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cps
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 637
_Distance_constraint_stats_list.Viol_count 3951
_Distance_constraint_stats_list.Viol_total 13459.670
_Distance_constraint_stats_list.Viol_max 1.771
_Distance_constraint_stats_list.Viol_rms 0.1101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0338
_Distance_constraint_stats_list.Viol_average_violations_only 0.1363
_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 ALA 4.410 0.180 6 0 "[ . 1 . 2 .]"
1 2 GLU 1.036 0.132 1 0 "[ . 1 . 2 .]"
1 3 GLY 5.161 0.329 4 0 "[ . 1 . 2 .]"
1 4 ASP 5.203 0.329 4 0 "[ . 1 . 2 .]"
1 5 ASP 2.301 0.183 13 0 "[ . 1 . 2 .]"
1 6 PRO 0.743 0.066 24 0 "[ . 1 . 2 .]"
1 7 ALA 0.807 0.101 24 0 "[ . 1 . 2 .]"
1 8 LYS 23.443 0.613 5 3 "[ + * - 2 .]"
1 9 ALA 5.231 0.421 17 0 "[ . 1 . 2 .]"
1 10 ALA 0.233 0.176 25 0 "[ . 1 . 2 .]"
1 11 PHE 10.781 0.791 9 1 "[ . +1 . 2 .]"
1 12 ASN 5.281 0.656 2 3 "[ + . 1 . -* .]"
1 13 SER 4.324 0.260 25 0 "[ . 1 . 2 .]"
1 14 LEU 34.649 0.791 9 2 "[ . +1 .- 2 .]"
1 15 GLN 28.951 0.656 2 4 "[ + . 1 .- ** .]"
1 16 ALA 1.709 0.134 9 0 "[ . 1 . 2 .]"
1 17 SER 6.211 0.409 13 0 "[ . 1 . 2 .]"
1 18 ALA 2.406 0.168 21 0 "[ . 1 . 2 .]"
1 19 THR 23.451 1.243 8 11 "[* *. +** -*.* *2* *.]"
1 20 GLU 26.034 1.637 13 11 "[ ** * 1 *+-. *** **]"
1 21 TYR 9.610 0.261 4 0 "[ . 1 . 2 .]"
1 22 ILE 60.197 1.243 8 13 "[* *. +** -*** **2* *.]"
1 23 GLY 15.611 1.275 22 6 "[ .* * *. - 2*+ .]"
1 24 TYR 21.535 1.637 13 11 "[ ** * 1 *+-. *** **]"
1 25 ALA 1.054 0.146 24 0 "[ . 1 . 2 .]"
1 26 TRP 28.051 1.275 22 8 "[ * .* * *. *- 2*+ .]"
1 27 ALA 8.374 0.693 14 4 "[ - . * *+. 2 .]"
1 28 MET 20.408 0.518 21 10 "[ * . 1 - *.*** 2+** *]"
1 29 VAL 4.839 0.952 2 2 "[ + . 1 . - 2 .]"
1 30 VAL 11.737 0.693 14 4 "[ - . * *+. 2 .]"
1 31 VAL 7.681 0.184 22 0 "[ . 1 . 2 .]"
1 32 ILE 5.993 0.222 19 0 "[ . 1 . 2 .]"
1 33 VAL 8.187 0.313 18 0 "[ . 1 . 2 .]"
1 34 GLY 4.416 0.669 12 3 "[ . 1 + . *-2 .]"
1 35 ALA 0.158 0.034 19 0 "[ . 1 . 2 .]"
1 36 THR 7.199 0.413 24 0 "[ . 1 . 2 .]"
1 37 ILE 13.197 0.669 12 3 "[ . 1 + . -*2 .]"
1 38 GLY 4.788 0.222 15 0 "[ . 1 . 2 .]"
1 39 ILE 27.576 0.437 5 0 "[ . 1 . 2 .]"
1 40 LYS 59.971 0.982 14 15 "[ * . * ****+* *-* ****]"
1 41 LEU 5.740 0.119 24 0 "[ . 1 . 2 .]"
1 42 PHE 2.585 0.097 13 0 "[ . 1 . 2 .]"
1 43 LYS 41.379 0.791 2 12 "[*+- .* *1 * *. **2** *]"
1 44 LYS 73.167 1.771 15 25 [********-*****+**********]
1 45 PHE 59.132 1.771 15 16 "[** * **1 ** + *****- **]"
1 46 THR 8.113 0.264 12 0 "[ . 1 . 2 .]"
1 47 SER 0.672 0.101 18 0 "[ . 1 . 2 .]"
1 48 LYS 18.565 0.903 20 5 "[ . * 1 . *+ * -]"
1 49 ALA 6.292 0.903 20 2 "[ . 1 . + -]"
1 50 SER 0.440 0.104 12 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 1 ALA HA 1 1 ALA MB 2.910 2.330 3.490 2.154 2.150 2.156 0.180 6 0 "[ . 1 . 2 .]" 1
2 1 2 GLU H 1 2 GLU HA 2.240 . 2.690 2.573 2.292 2.822 0.132 1 0 "[ . 1 . 2 .]" 1
3 1 2 GLU HA 1 2 GLU HB2 2.980 2.380 3.580 2.783 2.428 3.018 . 0 0 "[ . 1 . 2 .]" 1
4 1 2 GLU HA 1 3 GLY H 2.290 . 2.750 2.356 2.136 2.768 0.018 11 0 "[ . 1 . 2 .]" 1
5 1 2 GLU HB2 1 2 GLU QG 2.540 2.030 3.050 2.352 2.155 2.539 . 0 0 "[ . 1 . 2 .]" 1
6 1 2 GLU HB3 1 2 GLU QG 2.150 . 2.580 2.335 2.154 2.538 . 0 0 "[ . 1 . 2 .]" 1
7 1 3 GLY H 1 3 GLY HA2 2.340 . 2.810 2.628 2.290 2.935 0.125 18 0 "[ . 1 . 2 .]" 1
8 1 3 GLY H 1 3 GLY HA3 2.300 . 2.760 2.647 2.292 2.932 0.172 14 0 "[ . 1 . 2 .]" 1
9 1 3 GLY HA2 1 4 ASP H 2.790 2.230 3.350 2.461 2.140 3.412 0.090 21 0 "[ . 1 . 2 .]" 1
10 1 3 GLY HA3 1 4 ASP H 2.590 2.070 3.110 3.020 2.165 3.439 0.329 4 0 "[ . 1 . 2 .]" 1
11 1 4 ASP H 1 4 ASP HA 3.290 2.630 4.040 2.911 2.802 2.957 . 0 0 "[ . 1 . 2 .]" 1
12 1 4 ASP H 1 4 ASP HB2 2.720 2.180 3.260 2.667 2.093 3.496 0.236 20 0 "[ . 1 . 2 .]" 1
13 1 4 ASP H 1 4 ASP HB3 2.630 2.100 3.160 3.020 2.588 3.270 0.110 3 0 "[ . 1 . 2 .]" 1
14 1 4 ASP H 1 5 ASP H 3.050 2.440 3.680 2.944 2.423 3.708 0.028 14 0 "[ . 1 . 2 .]" 1
15 1 4 ASP HA 1 4 ASP HB2 2.770 2.220 3.320 2.672 2.445 2.861 . 0 0 "[ . 1 . 2 .]" 1
16 1 4 ASP HA 1 4 ASP HB3 2.820 2.260 3.380 2.931 2.281 3.025 . 0 0 "[ . 1 . 2 .]" 1
17 1 4 ASP HA 1 5 ASP H 2.880 2.300 3.460 2.987 2.291 3.546 0.086 19 0 "[ . 1 . 2 .]" 1
18 1 5 ASP H 1 5 ASP HA 2.280 . 2.740 2.639 2.289 2.923 0.183 13 0 "[ . 1 . 2 .]" 1
19 1 5 ASP H 1 5 ASP HB3 3.070 2.460 3.700 3.279 2.582 3.798 0.098 23 0 "[ . 1 . 2 .]" 1
20 1 5 ASP H 1 6 PRO HD2 4.000 4.000 1004.000 4.475 3.961 5.159 0.039 20 0 "[ . 1 . 2 .]" 1
21 1 5 ASP HA 1 5 ASP HB2 2.550 2.040 3.060 2.556 2.445 2.655 . 0 0 "[ . 1 . 2 .]" 1
22 1 5 ASP HA 1 5 ASP HB3 2.610 2.090 3.130 3.004 2.976 3.023 . 0 0 "[ . 1 . 2 .]" 1
23 1 5 ASP HA 1 6 PRO HA 4.190 3.350 5.530 4.534 4.431 4.627 . 0 0 "[ . 1 . 2 .]" 1
24 1 5 ASP HA 1 6 PRO HD2 2.420 . 2.900 2.439 2.259 2.741 . 0 0 "[ . 1 . 2 .]" 1
25 1 5 ASP HA 1 6 PRO HD3 2.380 . 2.860 2.211 1.934 2.624 . 0 0 "[ . 1 . 2 .]" 1
26 1 5 ASP HA 1 6 PRO QG 3.560 2.850 4.470 3.957 3.848 4.170 . 0 0 "[ . 1 . 2 .]" 1
27 1 5 ASP HB2 1 8 LYS H 4.000 4.000 1004.000 6.780 4.381 8.577 . 0 0 "[ . 1 . 2 .]" 1
28 1 6 PRO HA 1 6 PRO HB2 2.820 2.260 3.380 2.704 2.701 2.711 . 0 0 "[ . 1 . 2 .]" 1
29 1 6 PRO HA 1 6 PRO HB3 2.540 2.030 3.050 2.276 2.272 2.280 . 0 0 "[ . 1 . 2 .]" 1
30 1 6 PRO HA 1 6 PRO HD2 4.030 3.220 5.250 4.010 3.963 4.041 . 0 0 "[ . 1 . 2 .]" 1
31 1 6 PRO HA 1 6 PRO HD3 3.760 3.010 4.800 3.889 3.830 3.964 . 0 0 "[ . 1 . 2 .]" 1
32 1 6 PRO HA 1 6 PRO QG 3.150 2.520 3.830 3.516 3.513 3.520 . 0 0 "[ . 1 . 2 .]" 1
33 1 6 PRO HA 1 7 ALA H 3.610 2.890 4.550 3.354 3.183 3.555 . 0 0 "[ . 1 . 2 .]" 1
34 1 6 PRO HA 1 9 ALA H 3.960 3.170 5.130 4.442 3.243 5.164 0.034 15 0 "[ . 1 . 2 .]" 1
35 1 6 PRO HB2 1 6 PRO HD2 3.810 3.050 4.880 3.802 3.709 3.867 . 0 0 "[ . 1 . 2 .]" 1
36 1 6 PRO HB2 1 6 PRO HD3 3.540 2.830 4.440 4.080 4.059 4.106 . 0 0 "[ . 1 . 2 .]" 1
37 1 6 PRO HB2 1 6 PRO QG 2.150 . 2.580 2.169 2.167 2.172 . 0 0 "[ . 1 . 2 .]" 1
38 1 6 PRO HB2 1 7 ALA H 3.320 2.660 4.090 3.766 3.054 4.122 0.032 21 0 "[ . 1 . 2 .]" 1
39 1 6 PRO HB3 1 6 PRO HD2 3.970 3.180 5.150 3.947 3.945 3.951 . 0 0 "[ . 1 . 2 .]" 1
40 1 6 PRO HB3 1 6 PRO HD3 4.210 3.370 5.560 3.431 3.344 3.547 0.026 15 0 "[ . 1 . 2 .]" 1
41 1 6 PRO HB3 1 6 PRO QG 2.490 . 2.990 2.192 2.182 2.201 . 0 0 "[ . 1 . 2 .]" 1
42 1 6 PRO HB3 1 8 LYS H 4.000 4.000 1004.000 5.325 4.082 7.427 . 0 0 "[ . 1 . 2 .]" 1
43 1 6 PRO HD2 1 6 PRO QG 2.720 2.180 3.260 2.178 2.174 2.186 0.006 15 0 "[ . 1 . 2 .]" 1
44 1 6 PRO HD2 1 7 ALA HA 3.680 2.940 4.670 4.449 3.907 4.704 0.034 2 0 "[ . 1 . 2 .]" 1
45 1 6 PRO HD3 1 6 PRO QG 2.680 2.140 3.220 2.178 2.171 2.186 . 0 0 "[ . 1 . 2 .]" 1
46 1 6 PRO HD3 1 7 ALA H 3.580 2.860 4.500 3.712 3.429 3.978 . 0 0 "[ . 1 . 2 .]" 1
47 1 6 PRO QG 1 7 ALA H 3.150 2.520 3.830 3.287 2.454 3.836 0.066 24 0 "[ . 1 . 2 .]" 1
48 1 7 ALA H 1 7 ALA HA 2.880 2.300 3.460 2.650 2.292 2.935 0.008 17 0 "[ . 1 . 2 .]" 1
49 1 7 ALA H 1 7 ALA MB 2.640 2.110 3.170 2.460 2.101 3.034 0.009 22 0 "[ . 1 . 2 .]" 1
50 1 7 ALA H 1 8 LYS H 2.700 2.160 3.240 2.869 2.266 3.341 0.101 24 0 "[ . 1 . 2 .]" 1
51 1 7 ALA HA 1 8 LYS H 3.210 2.570 3.920 3.308 2.691 3.574 . 0 0 "[ . 1 . 2 .]" 1
52 1 8 LYS H 1 8 LYS HA 2.770 2.220 3.320 2.699 2.262 2.945 . 0 0 "[ . 1 . 2 .]" 1
53 1 8 LYS H 1 8 LYS HB2 2.860 2.290 3.430 3.306 2.257 3.888 0.458 12 0 "[ . 1 . 2 .]" 1
54 1 8 LYS H 1 8 LYS HB3 2.860 2.290 3.430 3.019 2.309 3.734 0.304 17 0 "[ . 1 . 2 .]" 1
55 1 8 LYS H 1 8 LYS HG3 3.160 2.530 3.840 3.146 1.917 4.392 0.613 5 3 "[ + * - 2 .]" 1
56 1 8 LYS H 1 9 ALA H 2.730 2.180 3.280 2.729 2.144 3.397 0.117 12 0 "[ . 1 . 2 .]" 1
57 1 8 LYS HA 1 8 LYS HG2 3.760 3.010 4.800 3.417 2.842 4.257 0.168 10 0 "[ . 1 . 2 .]" 1
58 1 8 LYS HA 1 8 LYS HG3 3.700 2.960 4.700 3.549 2.927 3.899 0.033 15 0 "[ . 1 . 2 .]" 1
59 1 8 LYS HA 1 9 ALA H 3.170 2.540 3.860 3.244 2.264 3.572 0.276 12 0 "[ . 1 . 2 .]" 1
60 1 8 LYS HA 1 11 PHE H 3.520 2.820 4.410 3.633 2.981 4.182 . 0 0 "[ . 1 . 2 .]" 1
61 1 8 LYS HA 1 11 PHE HB2 3.530 2.820 4.420 3.100 2.646 3.609 0.174 18 0 "[ . 1 . 2 .]" 1
62 1 8 LYS HA 1 11 PHE HB3 3.310 2.650 4.070 3.144 2.613 4.333 0.263 12 0 "[ . 1 . 2 .]" 1
63 1 8 LYS HA 1 12 ASN H 3.370 2.700 4.170 4.064 3.815 4.200 0.030 8 0 "[ . 1 . 2 .]" 1
64 1 8 LYS HB2 1 8 LYS HG2 3.210 2.570 3.920 2.879 2.418 3.028 0.152 3 0 "[ . 1 . 2 .]" 1
65 1 8 LYS HB2 1 9 ALA H 3.220 2.580 3.930 3.666 2.587 4.229 0.299 25 0 "[ . 1 . 2 .]" 1
66 1 8 LYS HB3 1 8 LYS HG2 3.210 2.570 3.920 2.548 2.246 3.034 0.324 18 0 "[ . 1 . 2 .]" 1
67 1 8 LYS HB3 1 9 ALA H 3.220 2.580 3.930 3.869 2.577 4.351 0.421 17 0 "[ . 1 . 2 .]" 1
68 1 8 LYS QD 1 8 LYS HG2 2.730 2.180 3.280 2.251 2.164 2.528 0.016 23 0 "[ . 1 . 2 .]" 1
69 1 8 LYS QE 1 8 LYS HG2 4.280 3.420 5.680 3.339 3.029 3.523 0.391 14 0 "[ . 1 . 2 .]" 1
70 1 8 LYS QE 1 8 LYS HG3 4.430 3.540 5.950 3.430 3.224 3.574 0.316 25 0 "[ . 1 . 2 .]" 1
71 1 9 ALA H 1 9 ALA HA 2.770 2.220 3.320 2.805 2.685 2.933 . 0 0 "[ . 1 . 2 .]" 1
72 1 9 ALA HA 1 12 ASN HB2 3.370 2.700 4.170 3.659 2.616 4.170 0.084 1 0 "[ . 1 . 2 .]" 1
73 1 9 ALA HA 1 12 ASN HB3 3.200 2.560 3.910 3.380 2.702 3.901 . 0 0 "[ . 1 . 2 .]" 1
74 1 10 ALA H 1 11 PHE H 2.850 2.280 3.420 2.750 2.392 3.004 . 0 0 "[ . 1 . 2 .]" 1
75 1 10 ALA HA 1 11 PHE H 3.340 2.670 4.120 3.528 3.463 3.569 . 0 0 "[ . 1 . 2 .]" 1
76 1 10 ALA HA 1 13 SER QB 2.710 2.170 3.250 2.835 1.994 3.206 0.176 25 0 "[ . 1 . 2 .]" 1
77 1 10 ALA MB 1 11 PHE H 2.960 2.370 3.550 2.604 2.346 2.948 0.024 7 0 "[ . 1 . 2 .]" 1
78 1 11 PHE H 1 11 PHE HA 2.780 2.220 3.340 2.817 2.753 2.883 . 0 0 "[ . 1 . 2 .]" 1
79 1 11 PHE H 1 11 PHE HB2 2.700 2.160 3.240 2.186 2.080 2.520 0.080 18 0 "[ . 1 . 2 .]" 1
80 1 11 PHE H 1 11 PHE HB3 2.700 2.160 3.240 2.962 2.511 3.258 0.018 12 0 "[ . 1 . 2 .]" 1
81 1 11 PHE H 1 11 PHE QD 4.390 3.510 5.880 3.897 3.505 4.198 0.005 22 0 "[ . 1 . 2 .]" 1
82 1 11 PHE H 1 12 ASN H 3.100 2.480 3.750 2.667 2.473 2.925 0.007 22 0 "[ . 1 . 2 .]" 1
83 1 11 PHE HA 1 11 PHE HB2 2.600 2.080 3.120 2.683 2.474 2.868 . 0 0 "[ . 1 . 2 .]" 1
84 1 11 PHE HA 1 11 PHE HB3 2.910 2.330 3.490 2.952 2.829 3.019 . 0 0 "[ . 1 . 2 .]" 1
85 1 11 PHE HA 1 11 PHE QD 3.200 2.560 3.910 2.860 2.544 3.127 0.016 9 0 "[ . 1 . 2 .]" 1
86 1 11 PHE HA 1 12 ASN H 3.010 2.410 3.620 3.527 3.477 3.573 . 0 0 "[ . 1 . 2 .]" 1
87 1 11 PHE HA 1 14 LEU QB 3.630 2.900 4.580 3.159 2.536 4.342 0.364 12 0 "[ . 1 . 2 .]" 1
88 1 11 PHE HA 1 14 LEU QD 3.230 2.580 3.950 3.497 2.541 3.957 0.039 7 0 "[ . 1 . 2 .]" 1
89 1 11 PHE HB2 1 11 PHE QD 3.260 2.610 3.990 2.406 2.334 2.547 0.276 25 0 "[ . 1 . 2 .]" 1
90 1 11 PHE HB2 1 12 ASN H 3.070 2.460 3.710 3.503 2.871 3.755 0.045 4 0 "[ . 1 . 2 .]" 1
91 1 11 PHE HB3 1 11 PHE QD 3.120 2.500 3.780 2.488 2.345 2.714 0.155 24 0 "[ . 1 . 2 .]" 1
92 1 11 PHE HB3 1 12 ASN H 3.070 2.460 3.710 2.717 2.440 3.067 0.020 4 0 "[ . 1 . 2 .]" 1
93 1 11 PHE QD 1 12 ASN H 4.020 3.220 5.230 4.211 3.513 4.645 . 0 0 "[ . 1 . 2 .]" 1
94 1 11 PHE QD 1 14 LEU QB 4.000 4.000 1004.000 4.347 3.209 4.972 0.791 9 1 "[ . +1 . 2 .]" 1
95 1 12 ASN H 1 12 ASN HA 3.250 2.600 3.980 2.868 2.784 2.926 . 0 0 "[ . 1 . 2 .]" 1
96 1 12 ASN H 1 12 ASN HB2 2.780 2.220 3.340 2.354 2.126 2.630 0.094 1 0 "[ . 1 . 2 .]" 1
97 1 12 ASN H 1 12 ASN HB3 2.780 2.220 3.340 2.797 2.468 3.388 0.048 1 0 "[ . 1 . 2 .]" 1
98 1 12 ASN H 1 12 ASN HD21 4.080 3.260 5.340 4.708 4.390 5.038 . 0 0 "[ . 1 . 2 .]" 1
99 1 12 ASN H 1 13 SER H 2.890 2.310 3.470 2.487 2.290 2.808 0.020 24 0 "[ . 1 . 2 .]" 1
100 1 12 ASN HA 1 12 ASN HB2 2.660 2.130 3.190 2.615 2.451 2.926 . 0 0 "[ . 1 . 2 .]" 1
101 1 12 ASN HA 1 12 ASN HB3 2.940 2.350 3.530 2.983 2.756 3.025 . 0 0 "[ . 1 . 2 .]" 1
102 1 12 ASN HA 1 12 ASN HD22 4.000 4.000 1004.000 4.282 4.011 4.643 . 0 0 "[ . 1 . 2 .]" 1
103 1 12 ASN HA 1 15 GLN QB 3.550 2.960 4.450 3.023 2.781 3.662 0.179 16 0 "[ . 1 . 2 .]" 1
104 1 12 ASN HA 1 15 GLN HG2 4.680 3.740 6.400 5.302 4.661 6.312 . 0 0 "[ . 1 . 2 .]" 1
105 1 12 ASN HA 1 15 GLN HG3 4.310 3.450 5.740 5.782 5.139 6.396 0.656 2 3 "[ + . 1 . -* .]" 1
106 1 12 ASN HB2 1 13 SER H 3.210 2.570 3.920 3.718 3.255 3.936 0.016 9 0 "[ . 1 . 2 .]" 1
107 1 12 ASN HB3 1 13 SER H 3.030 2.420 3.650 2.811 2.416 3.440 0.004 19 0 "[ . 1 . 2 .]" 1
108 1 13 SER H 1 13 SER HA 2.780 2.220 3.340 2.838 2.773 2.909 . 0 0 "[ . 1 . 2 .]" 1
109 1 13 SER H 1 13 SER QB 2.830 2.260 3.400 2.493 2.109 2.920 0.151 25 0 "[ . 1 . 2 .]" 1
110 1 13 SER H 1 14 LEU H 2.840 2.270 3.410 2.558 2.274 2.749 . 0 0 "[ . 1 . 2 .]" 1
111 1 13 SER HA 1 13 SER QB 2.730 2.200 3.280 2.348 2.154 2.532 0.046 23 0 "[ . 1 . 2 .]" 1
112 1 13 SER HA 1 14 LEU H 3.520 2.820 4.410 3.482 3.378 3.529 . 0 0 "[ . 1 . 2 .]" 1
113 1 13 SER HA 1 16 ALA MB 3.440 2.750 4.280 2.993 2.724 3.942 0.026 9 0 "[ . 1 . 2 .]" 1
114 1 13 SER QB 1 14 LEU H 3.720 2.980 4.730 2.914 2.720 3.343 0.260 25 0 "[ . 1 . 2 .]" 1
115 1 13 SER QB 1 14 LEU HA 3.200 2.560 3.900 3.844 3.766 3.942 0.042 16 0 "[ . 1 . 2 .]" 1
116 1 14 LEU H 1 14 LEU HA 2.790 2.230 3.350 2.846 2.764 2.933 . 0 0 "[ . 1 . 2 .]" 1
117 1 14 LEU H 1 14 LEU QB 2.970 2.380 3.560 2.316 2.180 2.778 0.200 12 0 "[ . 1 . 2 .]" 1
118 1 14 LEU H 1 14 LEU QD 3.200 2.560 3.900 3.509 2.365 3.808 0.195 16 0 "[ . 1 . 2 .]" 1
119 1 14 LEU H 1 15 GLN H 2.910 2.330 3.490 2.539 2.281 2.823 0.049 16 0 "[ . 1 . 2 .]" 1
120 1 14 LEU HA 1 14 LEU QB 2.860 2.290 3.430 2.327 2.219 2.450 0.071 1 0 "[ . 1 . 2 .]" 1
121 1 14 LEU HA 1 14 LEU QD 2.860 2.540 3.100 2.230 2.062 2.818 0.478 16 0 "[ . 1 . 2 .]" 1
122 1 14 LEU HA 1 15 GLN H 3.000 2.400 3.600 3.519 3.463 3.543 . 0 0 "[ . 1 . 2 .]" 1
123 1 14 LEU HA 1 17 SER H 3.320 2.660 4.090 3.810 3.346 4.085 . 0 0 "[ . 1 . 2 .]" 1
124 1 14 LEU HA 1 17 SER QB 2.970 2.380 3.560 3.005 2.363 3.576 0.017 19 0 "[ . 1 . 2 .]" 1
125 1 14 LEU QB 1 14 LEU HG 2.410 . 2.890 2.381 2.147 2.550 . 0 0 "[ . 1 . 2 .]" 1
126 1 14 LEU QB 1 15 GLN H 3.280 2.910 4.030 2.617 2.350 2.853 0.560 16 1 "[ . 1 .+ 2 .]" 1
127 1 14 LEU QD 1 14 LEU HG 2.610 2.090 3.130 1.902 1.892 1.906 0.198 16 0 "[ . 1 . 2 .]" 1
128 1 14 LEU QD 1 15 GLN H 3.750 3.000 4.780 3.807 2.931 4.082 0.069 19 0 "[ . 1 . 2 .]" 1
129 1 14 LEU QD 1 15 GLN QB 4.090 3.530 5.350 4.359 3.163 4.783 0.367 19 0 "[ . 1 . 2 .]" 1
130 1 14 LEU QD 1 15 GLN HG3 5.220 4.180 7.420 6.004 4.911 6.924 . 0 0 "[ . 1 . 2 .]" 1
131 1 14 LEU QD 1 17 SER QB 3.870 3.620 4.980 3.564 3.211 4.640 0.409 13 0 "[ . 1 . 2 .]" 1
132 1 14 LEU HG 1 15 GLN H 3.640 2.910 4.600 3.856 3.425 4.860 0.260 19 0 "[ . 1 . 2 .]" 1
133 1 15 GLN H 1 15 GLN HA 2.820 2.260 3.380 2.836 2.706 2.925 . 0 0 "[ . 1 . 2 .]" 1
134 1 15 GLN H 1 15 GLN QB 2.830 2.450 3.400 2.237 2.145 2.308 0.305 16 0 "[ . 1 . 2 .]" 1
135 1 15 GLN H 1 15 GLN HG2 3.740 2.990 4.760 4.487 4.291 4.658 . 0 0 "[ . 1 . 2 .]" 1
136 1 15 GLN H 1 15 GLN HG3 3.740 2.990 4.760 4.474 4.360 4.636 . 0 0 "[ . 1 . 2 .]" 1
137 1 15 GLN H 1 16 ALA H 2.810 2.250 3.370 2.567 2.256 2.951 . 0 0 "[ . 1 . 2 .]" 1
138 1 15 GLN HA 1 15 GLN QB 3.010 2.410 3.440 2.347 2.258 2.412 0.152 16 0 "[ . 1 . 2 .]" 1
139 1 15 GLN HA 1 15 GLN QE 4.000 4.000 1004.000 4.330 3.546 4.832 0.454 13 0 "[ . 1 . 2 .]" 1
140 1 15 GLN HA 1 15 GLN HG2 3.470 2.780 4.330 3.319 2.694 3.795 0.086 23 0 "[ . 1 . 2 .]" 1
141 1 15 GLN HA 1 15 GLN HG3 3.490 2.790 4.360 2.813 2.616 3.230 0.174 15 0 "[ . 1 . 2 .]" 1
142 1 15 GLN HA 1 16 ALA H 2.950 2.360 3.540 3.509 3.449 3.554 0.014 15 0 "[ . 1 . 2 .]" 1
143 1 15 GLN HA 1 18 ALA MB 3.690 2.950 4.680 3.961 2.956 4.684 0.004 6 0 "[ . 1 . 2 .]" 1
144 1 15 GLN QB 1 15 GLN HG2 2.490 2.210 2.990 2.314 2.167 2.545 0.043 18 0 "[ . 1 . 2 .]" 1
145 1 15 GLN QB 1 15 GLN HG3 2.760 2.210 2.990 2.351 2.166 2.485 0.044 23 0 "[ . 1 . 2 .]" 1
146 1 15 GLN QB 1 16 ALA H 3.210 2.570 3.920 2.692 2.530 2.912 0.040 15 0 "[ . 1 . 2 .]" 1
147 1 15 GLN QE 1 15 GLN HG3 3.250 2.620 3.980 2.490 2.132 3.377 0.488 9 0 "[ . 1 . 2 .]" 1
148 1 16 ALA H 1 16 ALA HA 2.790 2.230 3.350 2.883 2.764 2.949 . 0 0 "[ . 1 . 2 .]" 1
149 1 16 ALA H 1 16 ALA MB 2.550 2.040 3.060 2.191 2.032 2.347 0.008 7 0 "[ . 1 . 2 .]" 1
150 1 16 ALA H 1 17 SER H 3.210 2.570 3.920 2.674 2.560 2.771 0.010 8 0 "[ . 1 . 2 .]" 1
151 1 16 ALA HA 1 17 SER H 2.750 2.200 3.300 3.214 2.998 3.434 0.134 9 0 "[ . 1 . 2 .]" 1
152 1 16 ALA MB 1 17 SER H 2.890 2.310 3.470 3.339 2.852 3.570 0.100 16 0 "[ . 1 . 2 .]" 1
153 1 17 SER H 1 17 SER HA 3.370 2.700 4.170 2.914 2.815 2.955 . 0 0 "[ . 1 . 2 .]" 1
154 1 17 SER H 1 17 SER QB 2.650 2.120 3.180 2.517 2.161 3.045 . 0 0 "[ . 1 . 2 .]" 1
155 1 17 SER H 1 18 ALA H 2.570 2.060 3.080 2.549 2.040 3.106 0.026 1 0 "[ . 1 . 2 .]" 1
156 1 17 SER HA 1 17 SER QB 2.380 . 2.860 2.350 2.166 2.521 . 0 0 "[ . 1 . 2 .]" 1
157 1 17 SER HA 1 18 ALA H 3.180 2.540 3.870 3.159 2.486 3.566 0.054 14 0 "[ . 1 . 2 .]" 1
158 1 18 ALA H 1 18 ALA HA 2.680 2.140 3.220 2.910 2.814 2.943 . 0 0 "[ . 1 . 2 .]" 1
159 1 18 ALA H 1 18 ALA MB 2.590 2.070 3.110 2.198 2.049 2.353 0.021 22 0 "[ . 1 . 2 .]" 1
160 1 18 ALA H 1 19 THR H 2.870 2.300 3.440 3.010 2.306 3.608 0.168 21 0 "[ . 1 . 2 .]" 1
161 1 18 ALA HA 1 21 TYR QD 3.790 3.030 4.850 4.309 3.013 4.885 0.035 10 0 "[ . 1 . 2 .]" 1
162 1 18 ALA MB 1 19 THR H 2.980 2.380 3.580 3.354 2.397 3.699 0.119 16 0 "[ . 1 . 2 .]" 1
163 1 19 THR H 1 19 THR HA 2.710 2.170 3.250 2.908 2.734 2.944 . 0 0 "[ . 1 . 2 .]" 1
164 1 19 THR H 1 19 THR MG 3.130 2.500 3.800 2.609 2.398 3.816 0.102 12 0 "[ . 1 . 2 .]" 1
165 1 19 THR H 1 20 GLU H 3.010 2.410 3.620 2.702 2.395 3.009 0.015 24 0 "[ . 1 . 2 .]" 1
166 1 19 THR HA 1 19 THR HB 2.660 2.130 3.190 2.553 2.381 3.019 . 0 0 "[ . 1 . 2 .]" 1
167 1 19 THR HA 1 19 THR MG 3.140 2.510 3.810 2.736 2.352 3.209 0.158 22 0 "[ . 1 . 2 .]" 1
168 1 19 THR HA 1 20 GLU H 2.750 2.200 3.300 3.104 2.835 3.431 0.131 21 0 "[ . 1 . 2 .]" 1
169 1 19 THR HA 1 22 ILE HB 3.550 2.840 4.460 3.210 2.656 4.649 0.189 4 0 "[ . 1 . 2 .]" 1
170 1 19 THR HA 1 22 ILE MD 3.920 3.140 5.060 4.196 3.053 4.986 0.087 15 0 "[ . 1 . 2 .]" 1
171 1 19 THR HA 1 22 ILE QG . 3.650 3.740 3.062 2.407 3.713 1.243 8 11 "[* *. +** -*.* *2* *.]" 1
172 1 19 THR HA 1 22 ILE MG 4.550 3.640 6.170 4.537 4.038 5.319 . 0 0 "[ . 1 . 2 .]" 1
173 1 19 THR HA 1 24 TYR QD 5.410 4.330 7.800 7.653 6.463 7.906 0.106 21 0 "[ . 1 . 2 .]" 1
174 1 19 THR HB 1 19 THR MG 2.740 2.190 3.290 2.119 2.100 2.140 0.090 10 0 "[ . 1 . 2 .]" 1
175 1 19 THR HB 1 22 ILE MD 4.630 3.700 6.310 5.543 3.889 6.416 0.106 10 0 "[ . 1 . 2 .]" 1
176 1 19 THR HB 1 22 ILE MG 4.610 3.690 6.270 5.250 3.853 6.448 0.178 21 0 "[ . 1 . 2 .]" 1
177 1 19 THR MG 1 20 GLU H 3.820 3.060 4.900 3.832 2.962 4.288 0.098 1 0 "[ . 1 . 2 .]" 1
178 1 19 THR MG 1 21 TYR H 4.450 3.560 5.990 4.849 3.978 5.311 . 0 0 "[ . 1 . 2 .]" 1
179 1 20 GLU H 1 20 GLU HA 2.620 2.100 3.140 2.899 2.861 2.927 . 0 0 "[ . 1 . 2 .]" 1
180 1 20 GLU H 1 20 GLU HB2 2.620 2.100 3.140 2.190 2.087 2.438 0.013 8 0 "[ . 1 . 2 .]" 1
181 1 20 GLU H 1 20 GLU HB3 2.620 2.100 3.140 3.086 2.786 3.208 0.068 11 0 "[ . 1 . 2 .]" 1
182 1 20 GLU H 1 20 GLU QG 3.580 2.860 4.500 3.849 3.531 4.074 . 0 0 "[ . 1 . 2 .]" 1
183 1 20 GLU H 1 21 TYR H 2.700 2.160 3.240 2.358 2.126 2.529 0.034 25 0 "[ . 1 . 2 .]" 1
184 1 20 GLU HA 1 20 GLU HB2 2.780 2.220 3.340 2.787 2.625 2.854 . 0 0 "[ . 1 . 2 .]" 1
185 1 20 GLU HA 1 20 GLU HB3 2.670 2.140 3.200 2.888 2.831 2.984 . 0 0 "[ . 1 . 2 .]" 1
186 1 20 GLU HA 1 20 GLU QG 3.280 2.670 4.030 2.467 2.249 2.619 0.421 8 0 "[ . 1 . 2 .]" 1
187 1 20 GLU HA 1 21 TYR H 2.670 2.140 3.200 3.336 3.255 3.405 0.205 15 0 "[ . 1 . 2 .]" 1
188 1 20 GLU HB2 1 20 GLU QG 2.800 2.380 3.360 2.283 2.182 2.364 0.198 2 0 "[ . 1 . 2 .]" 1
189 1 20 GLU HB2 1 21 TYR H 3.110 2.490 3.770 3.778 3.581 3.872 0.102 4 0 "[ . 1 . 2 .]" 1
190 1 20 GLU HB2 1 21 TYR QD 4.400 3.520 5.900 4.089 3.545 4.866 . 0 0 "[ . 1 . 2 .]" 1
191 1 20 GLU HB3 1 20 GLU QG 2.650 2.290 3.180 2.282 2.178 2.439 0.112 17 0 "[ . 1 . 2 .]" 1
192 1 20 GLU HB3 1 21 TYR H 3.110 2.490 3.770 3.519 3.054 3.797 0.027 13 0 "[ . 1 . 2 .]" 1
193 1 20 GLU HB3 1 21 TYR QD 3.900 3.120 5.030 3.480 3.127 3.974 . 0 0 "[ . 1 . 2 .]" 1
194 1 20 GLU HB3 1 21 TYR QE 4.250 3.400 5.630 4.115 3.688 4.614 . 0 0 "[ . 1 . 2 .]" 1
195 1 20 GLU QG 1 21 TYR QE 4.690 3.750 6.420 5.456 4.857 5.972 . 0 0 "[ . 1 . 2 .]" 1
196 1 20 GLU QG 1 24 TYR QE 4.000 4.000 1004.000 3.903 2.363 5.753 1.637 13 11 "[ ** * 1 *+-. *** **]" 1
197 1 21 TYR H 1 21 TYR HA 3.090 2.470 3.740 2.941 2.916 2.953 . 0 0 "[ . 1 . 2 .]" 1
198 1 21 TYR H 1 21 TYR HB2 2.660 2.130 3.190 2.336 2.207 2.500 . 0 0 "[ . 1 . 2 .]" 1
199 1 21 TYR H 1 21 TYR HB3 3.020 2.420 3.630 3.570 3.487 3.684 0.054 20 0 "[ . 1 . 2 .]" 1
200 1 21 TYR H 1 21 TYR QD 3.100 2.480 3.750 2.964 2.470 3.281 0.010 11 0 "[ . 1 . 2 .]" 1
201 1 21 TYR H 1 22 ILE H 2.630 2.100 3.160 2.124 1.962 2.529 0.138 13 0 "[ . 1 . 2 .]" 1
202 1 21 TYR HA 1 21 TYR HB2 2.970 2.380 3.560 2.988 2.964 3.017 . 0 0 "[ . 1 . 2 .]" 1
203 1 21 TYR HA 1 21 TYR HB3 2.760 2.210 3.310 2.605 2.491 2.651 . 0 0 "[ . 1 . 2 .]" 1
204 1 21 TYR HA 1 21 TYR QD 3.030 2.420 3.650 2.860 2.729 3.080 . 0 0 "[ . 1 . 2 .]" 1
205 1 21 TYR HA 1 21 TYR QE 3.940 3.150 5.100 4.474 4.399 4.565 . 0 0 "[ . 1 . 2 .]" 1
206 1 21 TYR HA 1 22 ILE H 3.360 2.690 4.150 3.413 3.129 3.465 . 0 0 "[ . 1 . 2 .]" 1
207 1 21 TYR HA 1 24 TYR HB2 3.580 2.860 4.500 4.158 3.099 4.521 0.021 16 0 "[ . 1 . 2 .]" 1
208 1 21 TYR HA 1 24 TYR QD 3.260 2.610 4.000 2.828 2.548 3.894 0.062 5 0 "[ . 1 . 2 .]" 1
209 1 21 TYR HA 1 24 TYR QE 4.200 3.360 5.540 3.816 3.325 4.580 0.035 22 0 "[ . 1 . 2 .]" 1
210 1 21 TYR HB2 1 21 TYR QD 3.010 2.410 3.620 2.388 2.345 2.558 0.065 15 0 "[ . 1 . 2 .]" 1
211 1 21 TYR HB2 1 21 TYR QE 3.950 3.160 5.120 4.413 4.402 4.455 . 0 0 "[ . 1 . 2 .]" 1
212 1 21 TYR HB2 1 22 ILE H 3.970 3.180 5.150 3.290 3.105 3.937 0.075 3 0 "[ . 1 . 2 .]" 1
213 1 21 TYR HB3 1 21 TYR QD 3.120 2.500 3.780 2.434 2.347 2.476 0.153 8 0 "[ . 1 . 2 .]" 1
214 1 21 TYR HB3 1 21 TYR QE 4.200 3.360 5.540 4.434 4.421 4.439 . 0 0 "[ . 1 . 2 .]" 1
215 1 21 TYR HB3 1 22 ILE MG 4.390 3.510 5.880 5.902 5.717 6.141 0.261 4 0 "[ . 1 . 2 .]" 1
216 1 21 TYR HB3 1 24 TYR QD 4.070 3.260 5.320 4.943 4.290 5.345 0.025 24 0 "[ . 1 . 2 .]" 1
217 1 22 ILE H 1 22 ILE HA 2.570 2.060 3.080 2.910 2.878 2.925 . 0 0 "[ . 1 . 2 .]" 1
218 1 22 ILE H 1 22 ILE HB 2.500 . 3.000 2.406 2.266 2.678 . 0 0 "[ . 1 . 2 .]" 1
219 1 22 ILE H 1 22 ILE QG 3.210 2.610 3.920 2.543 2.283 3.464 0.327 16 0 "[ . 1 . 2 .]" 1
220 1 22 ILE H 1 22 ILE MG 3.100 2.480 3.750 3.760 3.691 3.820 0.070 16 0 "[ . 1 . 2 .]" 1
221 1 22 ILE H 1 23 GLY H 3.120 2.500 3.780 2.807 2.351 3.802 0.149 11 0 "[ . 1 . 2 .]" 1
222 1 22 ILE HA 1 22 ILE HB 2.710 2.170 3.250 3.016 3.001 3.031 . 0 0 "[ . 1 . 2 .]" 1
223 1 22 ILE HA 1 22 ILE MD 3.270 2.620 4.010 2.880 2.429 3.787 0.191 4 0 "[ . 1 . 2 .]" 1
224 1 22 ILE HA 1 22 ILE QG 3.510 2.810 4.390 2.623 2.438 2.723 0.372 24 0 "[ . 1 . 2 .]" 1
225 1 22 ILE HA 1 22 ILE MG 3.150 2.520 3.830 2.464 2.338 2.582 0.182 16 0 "[ . 1 . 2 .]" 1
226 1 22 ILE HA 1 24 TYR QE 5.000 4.000 7.000 7.013 6.761 7.106 0.106 5 0 "[ . 1 . 2 .]" 1
227 1 22 ILE HA 1 25 ALA MB 3.030 2.420 3.650 3.228 2.403 3.691 0.041 24 0 "[ . 1 . 2 .]" 1
228 1 22 ILE HB 1 22 ILE MD 3.270 2.620 4.010 2.958 2.490 3.226 0.130 18 0 "[ . 1 . 2 .]" 1
229 1 22 ILE HB 1 22 ILE QG 3.180 2.540 3.680 2.237 2.175 2.330 0.365 4 0 "[ . 1 . 2 .]" 1
230 1 22 ILE HB 1 22 ILE MG 2.880 2.300 3.460 2.135 2.108 2.154 0.192 22 0 "[ . 1 . 2 .]" 1
231 1 22 ILE HB 1 23 GLY H 3.370 2.700 4.170 3.404 2.554 4.387 0.217 1 0 "[ . 1 . 2 .]" 1
232 1 22 ILE QG 1 22 ILE MG 3.200 2.800 3.910 2.465 2.181 2.597 0.619 18 2 "[ . 1 - + 2 .]" 1
233 1 22 ILE QG 1 23 GLY H 3.830 3.060 4.910 4.352 4.059 4.631 . 0 0 "[ . 1 . 2 .]" 1
234 1 22 ILE MG 1 23 GLY H 3.180 2.540 3.870 3.612 3.069 4.037 0.167 24 0 "[ . 1 . 2 .]" 1
235 1 22 ILE MG 1 26 TRP HD1 4.430 3.540 5.950 3.470 3.287 3.620 0.253 25 0 "[ . 1 . 2 .]" 1
236 1 22 ILE MG 1 26 TRP HE1 3.460 2.770 4.310 4.390 4.192 4.785 0.475 25 0 "[ . 1 . 2 .]" 1
237 1 23 GLY H 1 24 TYR H 2.940 2.350 3.530 2.581 2.252 3.071 0.098 24 0 "[ . 1 . 2 .]" 1
238 1 23 GLY H 1 24 TYR QD 4.000 4.000 1004.000 4.249 3.936 4.965 0.064 5 0 "[ . 1 . 2 .]" 1
239 1 23 GLY QA 1 24 TYR H 3.130 2.510 3.800 2.757 2.502 2.951 0.008 13 0 "[ . 1 . 2 .]" 1
240 1 23 GLY QA 1 26 TRP QB 3.830 3.140 4.910 2.978 1.865 3.513 1.275 22 6 "[ .* * *. * 2-+ .]" 1
241 1 23 GLY QA 1 26 TRP HD1 3.740 2.990 4.760 3.012 1.797 4.638 1.193 22 5 "[ .* * . - 2*+ .]" 1
242 1 24 TYR H 1 24 TYR HA 3.180 2.540 3.870 2.867 2.760 2.952 . 0 0 "[ . 1 . 2 .]" 1
243 1 24 TYR H 1 24 TYR HB2 2.820 2.260 3.380 2.580 2.239 3.126 0.021 17 0 "[ . 1 . 2 .]" 1
244 1 24 TYR H 1 24 TYR HB3 3.120 2.500 3.780 3.625 3.524 3.913 0.133 24 0 "[ . 1 . 2 .]" 1
245 1 24 TYR H 1 24 TYR QD 3.230 2.580 3.950 2.732 2.500 3.398 0.080 10 0 "[ . 1 . 2 .]" 1
246 1 24 TYR H 1 25 ALA H 2.640 2.110 3.170 2.421 1.991 2.824 0.119 24 0 "[ . 1 . 2 .]" 1
247 1 24 TYR HA 1 24 TYR HB2 2.860 2.290 3.430 3.003 2.976 3.018 . 0 0 "[ . 1 . 2 .]" 1
248 1 24 TYR HA 1 24 TYR HB3 2.700 2.160 3.240 2.433 2.275 2.641 . 0 0 "[ . 1 . 2 .]" 1
249 1 24 TYR HA 1 24 TYR QD 3.070 2.460 3.700 2.587 2.292 2.806 0.168 10 0 "[ . 1 . 2 .]" 1
250 1 24 TYR HA 1 24 TYR QE 4.230 3.380 5.590 4.568 4.365 4.786 . 0 0 "[ . 1 . 2 .]" 1
251 1 24 TYR HA 1 25 ALA H 3.700 2.960 4.700 3.495 3.450 3.580 . 0 0 "[ . 1 . 2 .]" 1
252 1 24 TYR HA 1 27 ALA MB 3.100 2.480 3.750 3.155 2.560 3.738 . 0 0 "[ . 1 . 2 .]" 1
253 1 24 TYR HB2 1 24 TYR QD 3.120 2.500 3.780 2.387 2.329 2.752 0.171 4 0 "[ . 1 . 2 .]" 1
254 1 24 TYR HB2 1 24 TYR QE 4.410 3.530 5.910 4.423 4.408 4.503 . 0 0 "[ . 1 . 2 .]" 1
255 1 24 TYR HB2 1 25 ALA H 3.460 2.770 4.310 2.867 2.624 3.097 0.146 24 0 "[ . 1 . 2 .]" 1
256 1 24 TYR HB3 1 24 TYR QD 3.220 2.580 3.930 2.538 2.467 2.748 0.113 14 0 "[ . 1 . 2 .]" 1
257 1 24 TYR HB3 1 25 ALA H 3.660 2.930 4.630 3.889 3.521 4.116 . 0 0 "[ . 1 . 2 .]" 1
258 1 24 TYR QD 1 27 ALA MB 3.650 2.920 4.620 4.469 3.844 4.753 0.133 21 0 "[ . 1 . 2 .]" 1
259 1 25 ALA H 1 25 ALA MB 2.500 . 3.000 2.177 2.035 2.299 . 0 0 "[ . 1 . 2 .]" 1
260 1 25 ALA HA 1 28 MET HG3 4.000 4.000 1004.000 5.260 4.233 6.417 . 0 0 "[ . 1 . 2 .]" 1
261 1 25 ALA MB 1 26 TRP H 2.780 2.220 3.340 2.996 2.709 3.249 . 0 0 "[ . 1 . 2 .]" 1
262 1 25 ALA MB 1 26 TRP HD1 4.680 3.740 6.400 4.782 3.735 6.418 0.018 21 0 "[ . 1 . 2 .]" 1
263 1 26 TRP H 1 26 TRP HA 2.870 2.300 3.440 2.863 2.789 2.912 . 0 0 "[ . 1 . 2 .]" 1
264 1 26 TRP H 1 26 TRP QB 2.710 2.170 3.250 2.063 1.993 2.122 0.177 22 0 "[ . 1 . 2 .]" 1
265 1 26 TRP H 1 26 TRP HD1 3.110 2.490 3.770 3.731 3.326 4.267 0.497 22 0 "[ . 1 . 2 .]" 1
266 1 26 TRP H 1 27 ALA H 2.690 2.150 3.230 2.516 2.251 2.680 . 0 0 "[ . 1 . 2 .]" 1
267 1 26 TRP HA 1 26 TRP QB 2.680 2.140 3.220 2.457 2.154 2.538 . 0 0 "[ . 1 . 2 .]" 1
268 1 26 TRP HA 1 26 TRP HD1 3.710 2.970 4.720 4.024 3.597 4.774 0.054 21 0 "[ . 1 . 2 .]" 1
269 1 26 TRP HA 1 26 TRP HE1 4.240 3.390 5.610 5.217 4.895 6.046 0.436 25 0 "[ . 1 . 2 .]" 1
270 1 26 TRP HA 1 26 TRP HE3 2.970 2.380 3.560 3.071 2.347 3.580 0.033 22 0 "[ . 1 . 2 .]" 1
271 1 26 TRP HA 1 27 ALA H 3.570 2.860 4.490 3.525 3.453 3.564 . 0 0 "[ . 1 . 2 .]" 1
272 1 26 TRP HA 1 29 VAL H 3.410 2.730 4.230 3.406 3.042 3.974 . 0 0 "[ . 1 . 2 .]" 1
273 1 26 TRP HA 1 29 VAL HB 2.920 2.340 3.500 2.610 2.383 3.013 . 0 0 "[ . 1 . 2 .]" 1
274 1 26 TRP HA 1 29 VAL MG1 3.630 2.900 4.580 3.741 3.149 4.315 . 0 0 "[ . 1 . 2 .]" 1
275 1 26 TRP HA 1 29 VAL MG2 3.170 2.540 3.860 2.843 2.516 3.907 0.047 22 0 "[ . 1 . 2 .]" 1
276 1 26 TRP QB 1 26 TRP HD1 3.210 2.570 3.920 2.549 2.401 2.644 0.169 22 0 "[ . 1 . 2 .]" 1
277 1 26 TRP QB 1 26 TRP HE3 3.020 2.420 3.630 2.755 2.540 3.086 . 0 0 "[ . 1 . 2 .]" 1
278 1 26 TRP QB 1 27 ALA H 3.380 2.700 4.180 2.708 2.451 3.008 0.249 2 0 "[ . 1 . 2 .]" 1
279 1 26 TRP HD1 1 29 VAL MG1 4.700 3.760 6.440 6.354 5.952 6.493 0.053 22 0 "[ . 1 . 2 .]" 1
280 1 26 TRP HE3 1 27 ALA HA 3.800 3.040 4.860 4.832 4.395 5.071 0.211 22 0 "[ . 1 . 2 .]" 1
281 1 26 TRP HE3 1 29 VAL HB 3.690 2.950 4.690 3.582 2.948 4.380 0.002 17 0 "[ . 1 . 2 .]" 1
282 1 26 TRP HZ3 1 29 VAL MG1 3.820 3.060 4.900 3.632 2.108 4.908 0.952 2 2 "[ + . 1 . - 2 .]" 1
283 1 27 ALA H 1 27 ALA HA 2.660 2.130 3.190 2.804 2.730 2.897 . 0 0 "[ . 1 . 2 .]" 1
284 1 27 ALA H 1 27 ALA MB 2.540 2.030 3.050 2.080 2.017 2.221 0.013 8 0 "[ . 1 . 2 .]" 1
285 1 27 ALA H 1 28 MET H 2.720 2.180 3.260 2.715 2.492 2.931 . 0 0 "[ . 1 . 2 .]" 1
286 1 27 ALA HA 1 27 ALA MB 2.630 2.100 3.160 2.108 2.097 2.134 0.003 5 0 "[ . 1 . 2 .]" 1
287 1 27 ALA HA 1 28 MET H 3.590 2.870 4.520 3.528 3.461 3.578 . 0 0 "[ . 1 . 2 .]" 1
288 1 27 ALA HA 1 29 VAL H 4.160 3.330 5.470 4.408 3.872 4.942 . 0 0 "[ . 1 . 2 .]" 1
289 1 27 ALA HA 1 30 VAL H 3.220 2.580 3.930 3.604 3.076 3.950 0.020 8 0 "[ . 1 . 2 .]" 1
290 1 27 ALA HA 1 30 VAL HB 2.990 2.390 3.590 3.188 2.448 3.607 0.017 10 0 "[ . 1 . 2 .]" 1
291 1 27 ALA HA 1 30 VAL MG1 3.690 2.950 4.680 3.949 2.510 4.688 0.440 20 0 "[ . 1 . 2 .]" 1
292 1 27 ALA HA 1 30 VAL MG2 3.150 2.520 3.830 3.084 2.511 4.523 0.693 14 4 "[ - . * *+. 2 .]" 1
293 1 27 ALA MB 1 28 MET H 3.100 2.480 3.750 2.646 2.446 2.944 0.034 22 0 "[ . 1 . 2 .]" 1
294 1 28 MET H 1 28 MET HA 2.720 2.180 3.260 2.827 2.749 2.908 . 0 0 "[ . 1 . 2 .]" 1
295 1 28 MET H 1 28 MET HB2 2.770 2.220 3.320 2.140 2.076 2.436 0.144 3 0 "[ . 1 . 2 .]" 1
296 1 28 MET H 1 28 MET HB3 2.770 2.220 3.320 3.250 2.461 3.522 0.202 2 0 "[ . 1 . 2 .]" 1
297 1 28 MET H 1 28 MET HG2 3.460 2.770 4.310 3.865 2.703 4.472 0.162 1 0 "[ . 1 . 2 .]" 1
298 1 28 MET H 1 28 MET HG3 3.460 2.770 4.310 4.363 3.975 4.513 0.203 20 0 "[ . 1 . 2 .]" 1
299 1 28 MET H 1 29 VAL H 2.860 2.290 3.430 2.584 2.323 2.906 . 0 0 "[ . 1 . 2 .]" 1
300 1 28 MET HA 1 28 MET HB2 2.400 . 2.880 2.860 2.456 3.003 0.123 2 0 "[ . 1 . 2 .]" 1
301 1 28 MET HA 1 28 MET HB3 2.400 . 2.880 2.811 2.546 3.015 0.135 19 0 "[ . 1 . 2 .]" 1
302 1 28 MET HA 1 28 MET HG2 3.600 2.880 4.530 3.280 2.665 3.602 0.215 19 0 "[ . 1 . 2 .]" 1
303 1 28 MET HA 1 28 MET HG3 4.030 3.220 5.250 3.057 2.702 3.635 0.518 21 10 "[ * . 1 - *.*** 2+** *]" 1
304 1 28 MET HA 1 29 VAL H 3.370 2.700 4.170 3.522 3.455 3.560 . 0 0 "[ . 1 . 2 .]" 1
305 1 28 MET HA 1 31 VAL H 3.170 2.540 3.860 3.366 3.051 3.657 . 0 0 "[ . 1 . 2 .]" 1
306 1 28 MET HA 1 31 VAL HB 2.810 2.250 3.370 2.860 2.571 3.070 . 0 0 "[ . 1 . 2 .]" 1
307 1 28 MET HA 1 31 VAL MG1 3.420 2.740 4.250 4.163 3.946 4.272 0.022 15 0 "[ . 1 . 2 .]" 1
308 1 28 MET HA 1 31 VAL MG2 3.370 2.700 4.170 2.845 2.677 3.221 0.023 7 0 "[ . 1 . 2 .]" 1
309 1 28 MET HA 1 32 ILE MD 4.760 3.810 6.550 4.709 4.097 5.191 . 0 0 "[ . 1 . 2 .]" 1
310 1 28 MET HB2 1 28 MET HG2 3.030 2.420 3.650 2.404 2.343 2.941 0.077 12 0 "[ . 1 . 2 .]" 1
311 1 28 MET HB2 1 28 MET HG3 3.110 2.490 3.760 2.797 2.271 3.018 0.219 19 0 "[ . 1 . 2 .]" 1
312 1 28 MET HB2 1 29 VAL H 3.070 2.460 3.710 3.123 2.621 3.775 0.065 19 0 "[ . 1 . 2 .]" 1
313 1 28 MET HB2 1 32 ILE MD 3.950 3.160 5.120 4.768 3.830 5.342 0.222 19 0 "[ . 1 . 2 .]" 1
314 1 28 MET HB3 1 28 MET HG2 2.740 2.190 3.290 2.714 2.440 3.026 . 0 0 "[ . 1 . 2 .]" 1
315 1 28 MET HB3 1 28 MET HG3 3.030 2.420 3.650 2.405 2.354 2.926 0.066 12 0 "[ . 1 . 2 .]" 1
316 1 28 MET HB3 1 29 VAL H 3.070 2.460 3.710 3.018 2.426 3.563 0.034 19 0 "[ . 1 . 2 .]" 1
317 1 28 MET HB3 1 32 ILE MD 4.040 3.230 5.270 3.362 3.041 4.382 0.189 2 0 "[ . 1 . 2 .]" 1
318 1 28 MET ME 1 31 VAL MG1 4.270 3.420 5.670 4.413 3.406 5.679 0.014 3 0 "[ . 1 . 2 .]" 1
319 1 28 MET HG2 1 32 ILE MD 4.100 3.280 5.370 4.960 3.192 5.500 0.130 2 0 "[ . 1 . 2 .]" 1
320 1 28 MET HG3 1 29 VAL H 4.000 4.000 1004.000 4.966 4.286 5.453 . 0 0 "[ . 1 . 2 .]" 1
321 1 28 MET HG3 1 32 ILE MD 4.070 3.260 5.320 4.174 3.261 4.876 . 0 0 "[ . 1 . 2 .]" 1
322 1 29 VAL H 1 29 VAL HA 2.820 2.260 3.380 2.798 2.752 2.879 . 0 0 "[ . 1 . 2 .]" 1
323 1 29 VAL H 1 29 VAL MG1 3.000 2.400 3.600 3.609 3.245 3.726 0.126 9 0 "[ . 1 . 2 .]" 1
324 1 29 VAL H 1 29 VAL MG2 2.690 2.150 3.230 2.468 2.122 3.224 0.028 1 0 "[ . 1 . 2 .]" 1
325 1 29 VAL HA 1 29 VAL MG1 2.740 2.190 3.290 2.565 2.335 3.041 . 0 0 "[ . 1 . 2 .]" 1
326 1 29 VAL HA 1 32 ILE HB 2.770 2.220 3.320 2.722 2.339 2.982 . 0 0 "[ . 1 . 2 .]" 1
327 1 29 VAL HA 1 32 ILE MD 3.110 2.490 3.770 2.655 2.462 3.131 0.028 19 0 "[ . 1 . 2 .]" 1
328 1 29 VAL HA 1 32 ILE MG 3.320 2.660 4.090 4.062 3.780 4.137 0.047 22 0 "[ . 1 . 2 .]" 1
329 1 29 VAL HB 1 29 VAL MG1 2.600 2.080 3.120 2.117 2.086 2.132 . 0 0 "[ . 1 . 2 .]" 1
330 1 29 VAL HB 1 29 VAL MG2 2.590 2.070 3.110 2.104 2.077 2.128 . 0 0 "[ . 1 . 2 .]" 1
331 1 29 VAL HB 1 30 VAL H 2.550 2.040 3.060 2.810 2.378 3.118 0.058 2 0 "[ . 1 . 2 .]" 1
332 1 30 VAL H 1 30 VAL HA 2.800 2.240 3.360 2.807 2.743 2.878 . 0 0 "[ . 1 . 2 .]" 1
333 1 30 VAL H 1 30 VAL HB 2.490 . 2.990 2.363 2.058 2.543 . 0 0 "[ . 1 . 2 .]" 1
334 1 30 VAL H 1 30 VAL MG1 2.900 2.320 3.480 3.476 2.484 3.704 0.224 5 0 "[ . 1 . 2 .]" 1
335 1 30 VAL H 1 30 VAL MG2 2.590 2.070 3.110 2.506 2.058 3.640 0.530 10 1 "[ . + . 2 .]" 1
336 1 30 VAL HA 1 30 VAL HB 3.180 2.540 3.870 2.926 2.563 3.016 . 0 0 "[ . 1 . 2 .]" 1
337 1 30 VAL HA 1 30 VAL MG1 2.660 2.130 3.190 2.540 2.243 3.174 . 0 0 "[ . 1 . 2 .]" 1
338 1 30 VAL HA 1 30 VAL MG2 2.490 . 2.990 2.290 2.129 2.423 . 0 0 "[ . 1 . 2 .]" 1
339 1 30 VAL HA 1 31 VAL H 3.150 2.520 3.830 3.509 3.459 3.562 . 0 0 "[ . 1 . 2 .]" 1
340 1 30 VAL HA 1 33 VAL HB 2.990 2.390 3.590 2.898 2.510 3.554 . 0 0 "[ . 1 . 2 .]" 1
341 1 30 VAL HB 1 30 VAL MG1 2.540 2.030 3.050 2.107 2.081 2.127 . 0 0 "[ . 1 . 2 .]" 1
342 1 31 VAL H 1 31 VAL HA 2.660 2.130 3.190 2.854 2.759 2.900 . 0 0 "[ . 1 . 2 .]" 1
343 1 31 VAL H 1 31 VAL HB 2.330 . 2.800 2.378 2.315 2.524 . 0 0 "[ . 1 . 2 .]" 1
344 1 31 VAL H 1 31 VAL MG1 2.940 2.350 3.530 3.706 3.692 3.714 0.184 22 0 "[ . 1 . 2 .]" 1
345 1 31 VAL H 1 32 ILE H 2.640 2.110 3.170 2.448 2.257 2.687 . 0 0 "[ . 1 . 2 .]" 1
346 1 31 VAL HA 1 31 VAL MG1 2.560 2.050 3.070 2.382 2.300 2.495 . 0 0 "[ . 1 . 2 .]" 1
347 1 31 VAL HA 1 32 ILE H 2.750 2.200 3.300 3.423 3.384 3.450 0.150 19 0 "[ . 1 . 2 .]" 1
348 1 31 VAL HB 1 31 VAL MG1 2.530 2.020 3.040 2.104 2.081 2.127 . 0 0 "[ . 1 . 2 .]" 1
349 1 31 VAL HB 1 32 ILE H 2.730 2.180 3.280 3.055 2.840 3.279 . 0 0 "[ . 1 . 2 .]" 1
350 1 31 VAL MG1 1 35 ALA MB 3.470 2.780 4.330 3.828 2.923 4.348 0.018 5 0 "[ . 1 . 2 .]" 1
351 1 32 ILE H 1 32 ILE HA 2.680 2.140 3.220 2.914 2.870 2.938 . 0 0 "[ . 1 . 2 .]" 1
352 1 32 ILE H 1 32 ILE HB 2.610 2.090 3.130 2.445 2.294 2.547 . 0 0 "[ . 1 . 2 .]" 1
353 1 32 ILE H 1 32 ILE HG13 2.610 2.090 3.130 2.405 2.196 2.596 . 0 0 "[ . 1 . 2 .]" 1
354 1 32 ILE H 1 33 VAL H 2.860 2.290 3.430 2.321 2.238 2.491 0.052 4 0 "[ . 1 . 2 .]" 1
355 1 32 ILE HA 1 32 ILE MD 3.220 2.580 3.930 3.796 3.749 3.843 . 0 0 "[ . 1 . 2 .]" 1
356 1 32 ILE HA 1 32 ILE HG12 2.890 2.310 3.470 2.494 2.410 2.598 . 0 0 "[ . 1 . 2 .]" 1
357 1 32 ILE HA 1 32 ILE HG13 2.880 2.300 3.460 3.028 2.810 3.189 . 0 0 "[ . 1 . 2 .]" 1
358 1 32 ILE HA 1 32 ILE MG 2.870 2.300 3.440 2.402 2.306 2.515 . 0 0 "[ . 1 . 2 .]" 1
359 1 32 ILE HA 1 33 VAL H 3.230 2.580 3.950 3.515 3.446 3.579 . 0 0 "[ . 1 . 2 .]" 1
360 1 32 ILE HA 1 35 ALA MB 3.200 2.560 3.910 2.950 2.526 3.581 0.034 19 0 "[ . 1 . 2 .]" 1
361 1 32 ILE HB 1 32 ILE MD 2.880 2.300 3.460 2.375 2.276 2.494 0.024 15 0 "[ . 1 . 2 .]" 1
362 1 32 ILE HB 1 32 ILE HG12 2.830 2.260 3.400 3.021 3.014 3.024 . 0 0 "[ . 1 . 2 .]" 1
363 1 32 ILE HB 1 32 ILE MG 2.640 2.110 3.170 2.115 2.089 2.135 0.021 24 0 "[ . 1 . 2 .]" 1
364 1 32 ILE HB 1 33 VAL H 2.560 2.050 3.070 2.735 2.141 3.078 0.008 16 0 "[ . 1 . 2 .]" 1
365 1 32 ILE MD 1 32 ILE HG12 2.430 . 2.920 2.123 2.097 2.142 . 0 0 "[ . 1 . 2 .]" 1
366 1 32 ILE MD 1 32 ILE HG13 2.640 2.110 3.170 2.124 2.099 2.142 0.011 24 0 "[ . 1 . 2 .]" 1
367 1 32 ILE HG12 1 32 ILE MG 2.580 2.060 3.100 2.372 2.202 2.477 . 0 0 "[ . 1 . 2 .]" 1
368 1 32 ILE HG13 1 32 ILE MG 2.960 2.370 3.550 3.191 3.175 3.201 . 0 0 "[ . 1 . 2 .]" 1
369 1 32 ILE MG 1 35 ALA MB 3.900 3.120 5.030 3.752 3.125 4.530 . 0 0 "[ . 1 . 2 .]" 1
370 1 33 VAL H 1 33 VAL HA 2.440 . 2.930 2.843 2.717 2.901 . 0 0 "[ . 1 . 2 .]" 1
371 1 33 VAL H 1 33 VAL HB 2.460 . 2.950 2.287 2.092 2.698 . 0 0 "[ . 1 . 2 .]" 1
372 1 33 VAL H 1 33 VAL MG1 2.810 2.250 3.370 3.650 3.560 3.683 0.313 18 0 "[ . 1 . 2 .]" 1
373 1 33 VAL H 1 33 VAL MG2 2.530 2.020 3.040 2.397 1.979 2.699 0.041 8 0 "[ . 1 . 2 .]" 1
374 1 33 VAL H 1 34 GLY H 2.680 2.140 3.220 2.535 2.280 2.903 . 0 0 "[ . 1 . 2 .]" 1
375 1 33 VAL HA 1 33 VAL MG1 2.670 2.140 3.200 2.475 2.287 2.762 . 0 0 "[ . 1 . 2 .]" 1
376 1 33 VAL HA 1 36 THR HB 2.620 2.100 3.140 3.065 2.691 3.217 0.077 22 0 "[ . 1 . 2 .]" 1
377 1 33 VAL HA 1 36 THR MG 3.840 3.070 4.930 3.874 3.002 4.468 0.068 25 0 "[ . 1 . 2 .]" 1
378 1 33 VAL HB 1 33 VAL MG1 2.470 . 2.960 2.107 2.076 2.125 . 0 0 "[ . 1 . 2 .]" 1
379 1 33 VAL HB 1 34 GLY H 2.920 2.340 3.500 2.722 2.294 3.002 0.046 25 0 "[ . 1 . 2 .]" 1
380 1 33 VAL MG1 1 34 GLY H 3.030 2.420 3.650 3.284 2.396 3.675 0.025 14 0 "[ . 1 . 2 .]" 1
381 1 33 VAL MG2 1 34 GLY H 3.340 2.670 4.120 3.956 3.722 4.135 0.015 10 0 "[ . 1 . 2 .]" 1
382 1 34 GLY H 1 34 GLY QA 2.190 . 2.630 2.212 2.195 2.260 . 0 0 "[ . 1 . 2 .]" 1
383 1 34 GLY QA 1 35 ALA H 2.480 . 2.980 2.679 2.521 2.826 . 0 0 "[ . 1 . 2 .]" 1
384 1 34 GLY QA 1 36 THR H 3.020 2.420 3.630 3.604 3.497 3.671 0.041 22 0 "[ . 1 . 2 .]" 1
385 1 34 GLY QA 1 36 THR MG 3.950 3.160 5.120 4.785 3.480 5.218 0.098 15 0 "[ . 1 . 2 .]" 1
386 1 34 GLY QA 1 37 ILE HB 3.250 2.600 3.980 2.862 2.580 3.111 0.020 15 0 "[ . 1 . 2 .]" 1
387 1 34 GLY QA 1 37 ILE MD 3.270 2.620 4.010 2.854 2.589 4.034 0.031 16 0 "[ . 1 . 2 .]" 1
388 1 34 GLY QA 1 37 ILE HG12 3.930 3.140 5.080 4.120 2.471 4.704 0.669 12 3 "[ . 1 + . *-2 .]" 1
389 1 34 GLY QA 1 37 ILE MG 3.300 2.640 4.060 4.072 3.961 4.149 0.089 19 0 "[ . 1 . 2 .]" 1
390 1 35 ALA H 1 35 ALA HA 2.660 2.130 3.190 2.784 2.748 2.863 . 0 0 "[ . 1 . 2 .]" 1
391 1 35 ALA H 1 35 ALA MB 2.580 2.060 3.100 2.141 2.045 2.239 0.015 16 0 "[ . 1 . 2 .]" 1
392 1 35 ALA H 1 36 THR H 2.860 2.290 3.430 2.681 2.502 2.775 . 0 0 "[ . 1 . 2 .]" 1
393 1 35 ALA HA 1 35 ALA MB 2.450 . 2.940 2.121 2.099 2.141 . 0 0 "[ . 1 . 2 .]" 1
394 1 35 ALA HA 1 36 THR H 3.120 2.500 3.780 3.472 3.455 3.492 . 0 0 "[ . 1 . 2 .]" 1
395 1 35 ALA HA 1 38 GLY H 3.220 2.580 3.930 3.560 3.080 3.911 . 0 0 "[ . 1 . 2 .]" 1
396 1 35 ALA HA 1 38 GLY QA 3.470 2.780 4.330 3.838 3.125 4.249 . 0 0 "[ . 1 . 2 .]" 1
397 1 35 ALA HA 1 39 ILE MD 4.380 3.500 5.860 3.959 3.488 4.516 0.012 8 0 "[ . 1 . 2 .]" 1
398 1 35 ALA MB 1 36 THR H 2.880 2.300 3.460 2.804 2.672 2.917 . 0 0 "[ . 1 . 2 .]" 1
399 1 35 ALA MB 1 36 THR HA 4.180 3.340 5.510 3.852 3.764 3.944 . 0 0 "[ . 1 . 2 .]" 1
400 1 36 THR H 1 36 THR HA 2.680 2.140 3.220 2.866 2.834 2.910 . 0 0 "[ . 1 . 2 .]" 1
401 1 36 THR H 1 36 THR HB 2.760 2.210 3.310 2.292 2.237 2.352 . 0 0 "[ . 1 . 2 .]" 1
402 1 36 THR H 1 36 THR MG 3.250 2.600 3.980 3.390 2.574 3.709 0.026 20 0 "[ . 1 . 2 .]" 1
403 1 36 THR H 1 37 ILE H 2.760 2.210 3.310 2.547 2.439 2.651 . 0 0 "[ . 1 . 2 .]" 1
404 1 36 THR HA 1 36 THR HB 2.670 2.140 3.200 2.911 2.616 3.020 . 0 0 "[ . 1 . 2 .]" 1
405 1 36 THR HA 1 36 THR MG 2.690 2.150 3.230 2.683 2.423 3.192 . 0 0 "[ . 1 . 2 .]" 1
406 1 36 THR HA 1 37 ILE H 3.780 3.020 4.830 3.548 3.497 3.588 . 0 0 "[ . 1 . 2 .]" 1
407 1 36 THR HA 1 39 ILE HB 2.860 2.290 3.430 3.418 3.262 3.505 0.075 5 0 "[ . 1 . 2 .]" 1
408 1 36 THR HA 1 39 ILE MD 3.300 2.640 4.060 3.042 2.581 4.081 0.059 15 0 "[ . 1 . 2 .]" 1
409 1 36 THR HA 1 39 ILE MG 3.710 2.970 4.720 4.658 4.358 4.799 0.079 15 0 "[ . 1 . 2 .]" 1
410 1 36 THR HA 1 40 LYS QE 4.010 3.210 5.220 4.807 3.668 5.029 . 0 0 "[ . 1 . 2 .]" 1
411 1 36 THR HB 1 36 THR MG 2.450 . 2.940 2.124 2.099 2.139 . 0 0 "[ . 1 . 2 .]" 1
412 1 36 THR HB 1 37 ILE H 3.120 2.500 3.780 2.833 2.474 3.747 0.026 8 0 "[ . 1 . 2 .]" 1
413 1 36 THR MG 1 40 LYS HB2 3.810 3.050 4.880 3.208 2.990 3.625 0.060 5 0 "[ . 1 . 2 .]" 1
414 1 36 THR MG 1 40 LYS QD 3.470 2.780 4.330 2.762 2.672 2.977 0.108 25 0 "[ . 1 . 2 .]" 1
415 1 36 THR MG 1 40 LYS QE 3.910 3.320 5.050 3.543 2.907 4.364 0.413 24 0 "[ . 1 . 2 .]" 1
416 1 36 THR MG 1 40 LYS QG 3.400 2.720 4.220 4.222 3.842 4.286 0.066 10 0 "[ . 1 . 2 .]" 1
417 1 37 ILE H 1 37 ILE HA 2.560 2.050 3.070 2.799 2.745 2.877 . 0 0 "[ . 1 . 2 .]" 1
418 1 37 ILE H 1 37 ILE HB 2.410 . 2.890 2.486 2.381 2.591 . 0 0 "[ . 1 . 2 .]" 1
419 1 37 ILE H 1 37 ILE MD 3.430 2.740 4.260 3.528 2.787 3.759 . 0 0 "[ . 1 . 2 .]" 1
420 1 37 ILE H 1 37 ILE HG12 2.820 2.260 3.380 3.067 1.921 3.388 0.339 12 0 "[ . 1 . 2 .]" 1
421 1 37 ILE H 1 37 ILE HG13 2.410 . 2.890 2.240 1.946 3.481 0.591 19 3 "[ . 1 * . -+2 .]" 1
422 1 37 ILE H 1 37 ILE MG 3.430 2.740 4.260 3.738 3.714 3.753 . 0 0 "[ . 1 . 2 .]" 1
423 1 37 ILE H 1 38 GLY H 2.770 2.220 3.320 2.662 2.396 2.810 . 0 0 "[ . 1 . 2 .]" 1
424 1 37 ILE HA 1 37 ILE HG13 2.910 2.330 3.490 3.145 2.965 3.692 0.202 12 0 "[ . 1 . 2 .]" 1
425 1 37 ILE HA 1 40 LYS H 3.070 2.460 3.710 3.540 3.213 3.737 0.027 8 0 "[ . 1 . 2 .]" 1
426 1 37 ILE HA 1 40 LYS HB2 3.610 2.890 4.550 2.790 2.475 3.092 0.415 10 0 "[ . 1 . 2 .]" 1
427 1 37 ILE HA 1 40 LYS HB3 2.890 2.310 3.470 2.947 2.545 3.439 . 0 0 "[ . 1 . 2 .]" 1
428 1 37 ILE HA 1 40 LYS QD 3.390 2.710 4.200 4.080 3.766 4.253 0.053 25 0 "[ . 1 . 2 .]" 1
429 1 37 ILE HA 1 40 LYS QG 3.490 2.790 4.360 4.150 3.848 4.388 0.028 11 0 "[ . 1 . 2 .]" 1
430 1 37 ILE HA 1 41 LEU HG 3.960 3.170 5.130 3.994 3.520 4.525 . 0 0 "[ . 1 . 2 .]" 1
431 1 37 ILE HB 1 37 ILE MD 2.820 2.260 3.380 2.480 2.255 3.199 0.005 7 0 "[ . 1 . 2 .]" 1
432 1 37 ILE HB 1 37 ILE HG12 2.400 . 2.880 2.932 2.393 3.006 0.126 11 0 "[ . 1 . 2 .]" 1
433 1 37 ILE HB 1 37 ILE MG 2.650 2.120 3.180 2.120 2.089 2.132 0.031 3 0 "[ . 1 . 2 .]" 1
434 1 37 ILE HB 1 38 GLY H 2.530 2.020 3.040 2.836 2.494 3.031 . 0 0 "[ . 1 . 2 .]" 1
435 1 37 ILE MD 1 37 ILE HG12 2.480 . 2.980 2.117 2.097 2.140 . 0 0 "[ . 1 . 2 .]" 1
436 1 37 ILE MD 1 37 ILE HG13 2.650 2.120 3.180 2.118 2.099 2.142 0.021 25 0 "[ . 1 . 2 .]" 1
437 1 37 ILE MD 1 40 LYS QD 4.600 3.680 6.260 5.916 3.698 6.358 0.098 6 0 "[ . 1 . 2 .]" 1
438 1 37 ILE MD 1 41 LEU HG 4.250 3.400 5.630 5.212 4.408 5.621 . 0 0 "[ . 1 . 2 .]" 1
439 1 37 ILE HG12 1 37 ILE MG 2.600 2.080 3.120 2.516 2.351 3.194 0.074 12 0 "[ . 1 . 2 .]" 1
440 1 37 ILE HG13 1 37 ILE MG 2.990 2.390 3.590 3.087 2.263 3.199 0.127 18 0 "[ . 1 . 2 .]" 1
441 1 37 ILE MG 1 38 GLY H 3.130 2.500 3.800 3.616 3.230 3.779 . 0 0 "[ . 1 . 2 .]" 1
442 1 38 GLY H 1 38 GLY QA 2.130 . 2.560 2.206 2.192 2.243 . 0 0 "[ . 1 . 2 .]" 1
443 1 38 GLY QA 1 39 ILE H 2.910 2.330 3.490 2.594 2.366 2.863 . 0 0 "[ . 1 . 2 .]" 1
444 1 38 GLY QA 1 39 ILE MD 3.340 2.670 4.120 3.692 2.861 4.176 0.056 15 0 "[ . 1 . 2 .]" 1
445 1 38 GLY QA 1 39 ILE MG 3.860 3.090 4.960 5.126 5.048 5.182 0.222 15 0 "[ . 1 . 2 .]" 1
446 1 38 GLY QA 1 41 LEU H 3.650 2.920 4.620 3.703 3.530 3.859 . 0 0 "[ . 1 . 2 .]" 1
447 1 38 GLY QA 1 41 LEU HB2 3.250 2.600 3.980 2.996 2.845 3.082 . 0 0 "[ . 1 . 2 .]" 1
448 1 38 GLY QA 1 41 LEU HB3 3.560 2.850 4.470 4.457 4.271 4.504 0.034 18 0 "[ . 1 . 2 .]" 1
449 1 38 GLY QA 1 41 LEU MD1 3.250 2.600 3.980 3.013 2.670 3.302 . 0 0 "[ . 1 . 2 .]" 1
450 1 38 GLY QA 1 41 LEU HG 3.510 2.810 4.390 4.151 3.650 4.391 0.001 1 0 "[ . 1 . 2 .]" 1
451 1 39 ILE H 1 39 ILE HA 2.770 2.220 3.320 2.845 2.746 2.930 . 0 0 "[ . 1 . 2 .]" 1
452 1 39 ILE H 1 39 ILE HB 2.670 2.140 3.200 2.624 2.386 2.883 . 0 0 "[ . 1 . 2 .]" 1
453 1 39 ILE H 1 39 ILE MD 3.310 2.650 4.070 2.638 2.526 2.814 0.124 18 0 "[ . 1 . 2 .]" 1
454 1 39 ILE H 1 39 ILE HG12 3.110 2.490 3.770 3.086 2.066 3.769 0.424 18 0 "[ . 1 . 2 .]" 1
455 1 39 ILE H 1 39 ILE HG13 2.670 2.140 3.200 2.695 2.113 3.637 0.437 5 0 "[ . 1 . 2 .]" 1
456 1 39 ILE H 1 39 ILE MG 3.310 2.650 4.070 3.742 3.700 3.795 . 0 0 "[ . 1 . 2 .]" 1
457 1 39 ILE H 1 40 LYS H 2.690 2.150 3.230 2.551 2.151 2.896 . 0 0 "[ . 1 . 2 .]" 1
458 1 39 ILE HA 1 39 ILE MD 3.250 2.600 3.980 3.301 2.356 3.855 0.244 11 0 "[ . 1 . 2 .]" 1
459 1 39 ILE HA 1 39 ILE HG12 3.090 2.470 3.740 3.219 2.947 3.535 . 0 0 "[ . 1 . 2 .]" 1
460 1 39 ILE HA 1 39 ILE HG13 3.220 2.580 3.930 3.007 2.504 3.875 0.076 14 0 "[ . 1 . 2 .]" 1
461 1 39 ILE HA 1 39 ILE MG 2.890 2.310 3.470 2.287 2.217 2.464 0.093 18 0 "[ . 1 . 2 .]" 1
462 1 39 ILE HA 1 40 LYS H 3.360 2.690 4.150 3.531 3.465 3.585 . 0 0 "[ . 1 . 2 .]" 1
463 1 39 ILE HA 1 42 PHE H 3.240 2.590 3.970 3.371 3.281 3.557 . 0 0 "[ . 1 . 2 .]" 1
464 1 39 ILE HA 1 42 PHE HB2 3.120 2.500 3.780 2.958 2.616 3.638 . 0 0 "[ . 1 . 2 .]" 1
465 1 39 ILE HA 1 42 PHE HB3 2.790 2.230 3.350 3.139 2.496 3.380 0.030 16 0 "[ . 1 . 2 .]" 1
466 1 39 ILE HA 1 42 PHE QD 4.470 3.580 6.020 4.423 3.657 4.936 . 0 0 "[ . 1 . 2 .]" 1
467 1 39 ILE MD 1 39 ILE HG12 2.460 . 2.950 2.115 2.095 2.141 . 0 0 "[ . 1 . 2 .]" 1
468 1 39 ILE MD 1 39 ILE HG13 2.550 2.040 3.060 2.111 2.094 2.130 . 0 0 "[ . 1 . 2 .]" 1
469 1 39 ILE MD 1 40 LYS H 3.280 2.620 4.030 4.036 3.813 4.185 0.155 24 0 "[ . 1 . 2 .]" 1
470 1 39 ILE HG12 1 39 ILE MG 2.520 2.020 3.020 2.431 1.940 3.158 0.138 20 0 "[ . 1 . 2 .]" 1
471 1 39 ILE HG13 1 39 ILE MG 2.470 . 2.960 2.766 2.279 3.049 0.089 12 0 "[ . 1 . 2 .]" 1
472 1 39 ILE MG 1 40 LYS HA 3.610 2.890 4.550 3.843 3.307 4.404 . 0 0 "[ . 1 . 2 .]" 1
473 1 39 ILE MG 1 40 LYS QG 4.720 3.780 6.480 5.293 4.715 5.879 . 0 0 "[ . 1 . 2 .]" 1
474 1 39 ILE MG 1 42 PHE HA 4.350 3.480 5.810 5.804 5.654 5.878 0.068 24 0 "[ . 1 . 2 .]" 1
475 1 39 ILE MG 1 43 LYS QD 3.520 2.820 4.410 4.430 4.209 4.495 0.085 20 0 "[ . 1 . 2 .]" 1
476 1 39 ILE MG 1 43 LYS QE 3.350 2.680 4.140 3.997 3.760 4.186 0.046 25 0 "[ . 1 . 2 .]" 1
477 1 39 ILE MG 1 43 LYS HG2 4.480 3.580 6.040 3.435 3.145 3.583 0.435 25 0 "[ . 1 . 2 .]" 1
478 1 39 ILE MG 1 43 LYS HG3 3.690 2.950 4.680 3.310 2.948 3.624 0.002 7 0 "[ . 1 . 2 .]" 1
479 1 40 LYS H 1 40 LYS HA 2.680 2.140 3.220 2.793 2.752 2.851 . 0 0 "[ . 1 . 2 .]" 1
480 1 40 LYS H 1 40 LYS HB2 2.810 2.250 3.370 2.129 2.063 2.180 0.187 24 0 "[ . 1 . 2 .]" 1
481 1 40 LYS H 1 40 LYS HB3 2.330 . 2.800 3.005 2.858 3.281 0.481 15 0 "[ . 1 . 2 .]" 1
482 1 40 LYS H 1 40 LYS QD 3.160 2.530 3.840 3.843 3.408 3.990 0.150 14 0 "[ . 1 . 2 .]" 1
483 1 40 LYS H 1 40 LYS QG 3.160 2.530 3.840 3.919 3.830 3.967 0.127 8 0 "[ . 1 . 2 .]" 1
484 1 40 LYS H 1 41 LEU H 2.810 2.250 3.370 2.727 2.493 2.856 . 0 0 "[ . 1 . 2 .]" 1
485 1 40 LYS HA 1 40 LYS HB2 2.300 . 2.760 2.712 2.631 2.854 0.094 25 0 "[ . 1 . 2 .]" 1
486 1 40 LYS HA 1 40 LYS HB3 2.890 2.310 3.470 2.931 2.830 2.984 . 0 0 "[ . 1 . 2 .]" 1
487 1 40 LYS HA 1 40 LYS QD 2.890 2.310 3.470 3.383 2.613 3.497 0.027 19 0 "[ . 1 . 2 .]" 1
488 1 40 LYS HA 1 40 LYS QE 3.720 2.980 4.730 2.433 1.998 4.409 0.982 14 15 "[ * . * ****+* **- ****]" 1
489 1 40 LYS HA 1 40 LYS QG 2.710 2.170 3.250 2.171 2.111 2.240 0.059 25 0 "[ . 1 . 2 .]" 1
490 1 40 LYS HA 1 43 LYS H 3.610 2.890 4.550 3.494 3.141 3.748 . 0 0 "[ . 1 . 2 .]" 1
491 1 40 LYS HA 1 43 LYS QB 3.000 2.400 3.600 2.962 2.500 3.428 . 0 0 "[ . 1 . 2 .]" 1
492 1 40 LYS HA 1 43 LYS HG2 4.260 3.410 5.650 4.295 3.662 4.854 . 0 0 "[ . 1 . 2 .]" 1
493 1 40 LYS HA 1 43 LYS HG3 3.370 2.700 4.170 3.325 2.841 3.626 . 0 0 "[ . 1 . 2 .]" 1
494 1 40 LYS HB2 1 40 LYS QE 3.590 2.870 3.870 2.704 2.420 3.729 0.450 19 0 "[ . 1 . 2 .]" 1
495 1 40 LYS HB2 1 40 LYS QG 2.630 2.100 3.160 2.499 2.461 2.519 . 0 0 "[ . 1 . 2 .]" 1
496 1 40 LYS HB3 1 40 LYS QE 4.000 4.000 1004.000 3.864 3.519 4.515 0.481 19 0 "[ . 1 . 2 .]" 1
497 1 40 LYS HB3 1 40 LYS QG 2.630 2.100 3.160 2.147 2.137 2.159 . 0 0 "[ . 1 . 2 .]" 1
498 1 40 LYS QD 1 40 LYS QE 2.820 2.260 3.380 2.018 1.915 2.104 0.345 6 0 "[ . 1 . 2 .]" 1
499 1 40 LYS QD 1 40 LYS QG 2.340 . 2.810 2.026 1.999 2.074 . 0 0 "[ . 1 . 2 .]" 1
500 1 40 LYS QE 1 40 LYS QG 3.570 3.020 4.490 2.682 2.457 2.808 0.563 14 8 "[ . ****+* -2 *]" 1
501 1 41 LEU H 1 41 LEU HA 2.790 2.230 3.350 2.804 2.766 2.845 . 0 0 "[ . 1 . 2 .]" 1
502 1 41 LEU H 1 41 LEU HB2 2.340 . 2.810 2.232 2.164 2.318 . 0 0 "[ . 1 . 2 .]" 1
503 1 41 LEU H 1 41 LEU HB3 2.930 2.340 3.520 3.517 3.482 3.550 0.030 22 0 "[ . 1 . 2 .]" 1
504 1 41 LEU H 1 41 LEU QD 2.850 2.280 3.420 3.271 3.133 3.385 . 0 0 "[ . 1 . 2 .]" 1
505 1 41 LEU H 1 41 LEU HG 2.410 . 2.890 2.631 2.407 2.836 . 0 0 "[ . 1 . 2 .]" 1
506 1 41 LEU H 1 42 PHE H 3.360 2.690 4.150 2.674 2.632 2.752 0.058 22 0 "[ . 1 . 2 .]" 1
507 1 41 LEU HA 1 41 LEU HB2 3.020 2.420 3.630 2.989 2.975 3.013 . 0 0 "[ . 1 . 2 .]" 1
508 1 41 LEU HA 1 41 LEU HB3 2.620 2.100 3.140 2.630 2.560 2.663 . 0 0 "[ . 1 . 2 .]" 1
509 1 41 LEU HA 1 41 LEU MD1 3.530 2.820 4.420 3.754 3.732 3.812 . 0 0 "[ . 1 . 2 .]" 1
510 1 41 LEU HA 1 41 LEU MD2 2.580 2.060 3.100 2.009 1.993 2.042 0.067 16 0 "[ . 1 . 2 .]" 1
511 1 41 LEU HA 1 41 LEU HG 2.970 2.380 3.560 2.765 2.558 2.955 . 0 0 "[ . 1 . 2 .]" 1
512 1 41 LEU HA 1 44 LYS HB2 3.700 2.960 4.700 3.435 2.938 4.316 0.022 8 0 "[ . 1 . 2 .]" 1
513 1 41 LEU HA 1 44 LYS HB3 3.590 2.870 4.520 3.300 2.838 4.421 0.032 15 0 "[ . 1 . 2 .]" 1
514 1 41 LEU HB2 1 41 LEU MD1 2.860 2.290 3.430 2.356 2.275 2.429 0.015 19 0 "[ . 1 . 2 .]" 1
515 1 41 LEU HB2 1 41 LEU QD 2.570 2.060 3.080 2.299 2.230 2.361 . 0 0 "[ . 1 . 2 .]" 1
516 1 41 LEU HB2 1 41 LEU MD2 3.260 2.610 4.000 3.211 3.203 3.216 . 0 0 "[ . 1 . 2 .]" 1
517 1 41 LEU HB2 1 41 LEU HG 2.650 2.120 3.180 2.453 2.417 2.552 . 0 0 "[ . 1 . 2 .]" 1
518 1 41 LEU HB2 1 42 PHE H 2.870 2.300 3.440 2.873 2.515 3.126 . 0 0 "[ . 1 . 2 .]" 1
519 1 41 LEU HB2 1 45 PHE QD 4.000 4.000 1004.000 5.185 4.465 6.163 . 0 0 "[ . 1 . 2 .]" 1
520 1 41 LEU HB3 1 41 LEU MD1 2.830 2.260 3.400 2.373 2.254 2.513 0.006 4 0 "[ . 1 . 2 .]" 1
521 1 41 LEU HB3 1 41 LEU QD 2.240 . 2.690 2.108 2.057 2.162 . 0 0 "[ . 1 . 2 .]" 1
522 1 41 LEU HB3 1 41 LEU MD2 3.080 2.460 3.720 2.366 2.341 2.383 0.119 24 0 "[ . 1 . 2 .]" 1
523 1 41 LEU HB3 1 41 LEU HG 2.720 2.180 3.260 3.020 3.010 3.025 . 0 0 "[ . 1 . 2 .]" 1
524 1 41 LEU HB3 1 42 PHE H 3.020 2.420 3.630 3.502 3.071 3.664 0.034 9 0 "[ . 1 . 2 .]" 1
525 1 41 LEU HB3 1 45 PHE QD 3.690 2.950 4.680 3.604 2.914 4.642 0.036 6 0 "[ . 1 . 2 .]" 1
526 1 41 LEU QD 1 41 LEU HG 2.170 . 2.600 1.881 1.864 1.895 . 0 0 "[ . 1 . 2 .]" 1
527 1 41 LEU QD 1 42 PHE H 3.520 2.820 4.410 4.185 3.989 4.287 . 0 0 "[ . 1 . 2 .]" 1
528 1 41 LEU QD 1 44 LYS HB2 4.540 3.630 6.150 4.040 3.523 4.650 0.107 8 0 "[ . 1 . 2 .]" 1
529 1 41 LEU QD 1 44 LYS HB3 3.980 3.180 5.170 3.649 3.185 4.370 . 0 0 "[ . 1 . 2 .]" 1
530 1 41 LEU MD1 1 41 LEU HG 2.610 2.090 3.130 2.118 2.087 2.131 0.003 7 0 "[ . 1 . 2 .]" 1
531 1 41 LEU MD2 1 41 LEU HG 2.660 2.130 3.190 2.106 2.094 2.128 0.036 6 0 "[ . 1 . 2 .]" 1
532 1 42 PHE H 1 42 PHE HA 2.590 2.070 3.110 2.831 2.726 2.904 . 0 0 "[ . 1 . 2 .]" 1
533 1 42 PHE H 1 42 PHE HB2 2.710 2.170 3.250 2.350 2.176 2.805 . 0 0 "[ . 1 . 2 .]" 1
534 1 42 PHE H 1 42 PHE HB3 2.630 2.100 3.160 2.709 2.219 2.883 . 0 0 "[ . 1 . 2 .]" 1
535 1 42 PHE H 1 43 LYS H 2.910 2.330 3.490 2.670 2.361 2.865 . 0 0 "[ . 1 . 2 .]" 1
536 1 42 PHE HA 1 42 PHE HB3 2.660 2.130 3.190 2.998 2.975 3.018 . 0 0 "[ . 1 . 2 .]" 1
537 1 42 PHE HA 1 42 PHE QD 3.060 2.450 3.690 2.800 2.369 3.061 0.081 13 0 "[ . 1 . 2 .]" 1
538 1 42 PHE HA 1 45 PHE H 3.400 2.720 4.220 3.783 3.355 4.238 0.018 19 0 "[ . 1 . 2 .]" 1
539 1 42 PHE HA 1 45 PHE HB2 3.290 2.630 4.040 3.374 2.796 4.072 0.032 25 0 "[ . 1 . 2 .]" 1
540 1 42 PHE HA 1 45 PHE QD 4.000 4.000 1004.000 4.258 3.940 5.693 0.060 3 0 "[ . 1 . 2 .]" 1
541 1 42 PHE HB2 1 42 PHE QD 2.820 2.260 3.380 2.419 2.267 2.760 . 0 0 "[ . 1 . 2 .]" 1
542 1 42 PHE HB2 1 43 LYS H 3.100 2.480 3.750 3.634 3.423 3.806 0.056 13 0 "[ . 1 . 2 .]" 1
543 1 42 PHE HB2 1 43 LYS HG3 4.000 4.000 1004.000 5.910 5.455 6.414 . 0 0 "[ . 1 . 2 .]" 1
544 1 42 PHE HB3 1 42 PHE QD 2.850 2.280 3.420 2.420 2.287 2.719 . 0 0 "[ . 1 . 2 .]" 1
545 1 42 PHE HB3 1 43 LYS H 2.880 2.300 3.460 2.476 2.274 2.926 0.026 23 0 "[ . 1 . 2 .]" 1
546 1 42 PHE QD 1 43 LYS HA 3.760 3.010 4.800 3.530 3.039 4.129 . 0 0 "[ . 1 . 2 .]" 1
547 1 42 PHE QD 1 46 THR MG 3.280 2.620 4.030 3.135 2.611 4.127 0.097 13 0 "[ . 1 . 2 .]" 1
548 1 43 LYS H 1 43 LYS HA 2.790 2.230 3.350 2.806 2.707 2.910 . 0 0 "[ . 1 . 2 .]" 1
549 1 43 LYS H 1 43 LYS QB 2.590 2.070 3.110 2.341 2.287 2.456 . 0 0 "[ . 1 . 2 .]" 1
550 1 43 LYS H 1 43 LYS HG2 3.000 2.400 3.600 2.423 2.095 2.697 0.305 25 0 "[ . 1 . 2 .]" 1
551 1 43 LYS H 1 43 LYS HG3 2.330 . 2.800 3.121 2.849 3.591 0.791 2 9 "[*+- .* *1 * . * 2* *]" 1
552 1 43 LYS H 1 44 LYS H 2.820 2.260 3.380 2.716 2.435 2.936 . 0 0 "[ . 1 . 2 .]" 1
553 1 43 LYS HA 1 43 LYS QB 3.060 2.450 3.690 2.396 2.357 2.427 0.093 3 0 "[ . 1 . 2 .]" 1
554 1 43 LYS HA 1 43 LYS QD 3.370 2.700 4.170 2.709 2.569 2.866 0.131 25 0 "[ . 1 . 2 .]" 1
555 1 43 LYS HA 1 43 LYS QE 3.390 2.710 4.200 3.808 2.686 4.361 0.161 8 0 "[ . 1 . 2 .]" 1
556 1 43 LYS HA 1 43 LYS HG2 2.940 2.350 3.530 2.429 2.238 2.761 0.112 13 0 "[ . 1 . 2 .]" 1
557 1 43 LYS HA 1 43 LYS HG3 2.800 2.240 3.360 3.614 3.521 3.740 0.380 3 0 "[ . 1 . 2 .]" 1
558 1 43 LYS HA 1 44 LYS H 3.300 2.640 4.060 3.454 3.141 3.573 . 0 0 "[ . 1 . 2 .]" 1
559 1 43 LYS HA 1 46 THR MG 3.850 3.080 4.950 3.836 3.184 4.632 . 0 0 "[ . 1 . 2 .]" 1
560 1 43 LYS QB 1 43 LYS QD 2.950 2.360 3.540 2.181 2.163 2.209 0.197 11 0 "[ . 1 . 2 .]" 1
561 1 43 LYS QB 1 43 LYS QE 4.400 3.520 5.900 3.782 3.621 3.834 . 0 0 "[ . 1 . 2 .]" 1
562 1 43 LYS QB 1 43 LYS HG2 2.900 2.320 3.480 2.508 2.449 2.533 . 0 0 "[ . 1 . 2 .]" 1
563 1 43 LYS QB 1 43 LYS HG3 2.190 . 2.630 2.157 2.141 2.176 . 0 0 "[ . 1 . 2 .]" 1
564 1 43 LYS QD 1 43 LYS HG2 2.760 2.210 3.310 2.472 2.393 2.556 . 0 0 "[ . 1 . 2 .]" 1
565 1 43 LYS QD 1 43 LYS HG3 2.220 . 2.660 2.262 2.153 2.352 . 0 0 "[ . 1 . 2 .]" 1
566 1 43 LYS QE 1 43 LYS HG2 4.260 3.410 5.650 2.938 2.716 3.122 0.694 12 12 "[*** .- *1 + *. **2** *]" 1
567 1 43 LYS QE 1 43 LYS HG3 3.520 2.820 4.410 3.172 2.957 3.497 . 0 0 "[ . 1 . 2 .]" 1
568 1 44 LYS H 1 44 LYS HA 2.650 2.120 3.180 2.871 2.721 2.945 . 0 0 "[ . 1 . 2 .]" 1
569 1 44 LYS H 1 44 LYS HB2 2.560 2.050 3.070 2.526 2.043 3.110 0.040 15 0 "[ . 1 . 2 .]" 1
570 1 44 LYS H 1 44 LYS HB3 2.560 2.050 3.070 2.691 2.102 3.404 0.334 8 0 "[ . 1 . 2 .]" 1
571 1 44 LYS H 1 44 LYS QG 3.710 2.970 4.720 3.897 3.526 4.090 . 0 0 "[ . 1 . 2 .]" 1
572 1 44 LYS H 1 45 PHE H 2.750 2.200 3.300 2.611 2.217 3.185 . 0 0 "[ . 1 . 2 .]" 1
573 1 44 LYS HA 1 44 LYS QD 3.590 2.980 4.520 3.386 2.621 4.062 0.359 24 0 "[ . 1 . 2 .]" 1
574 1 44 LYS HA 1 44 LYS QG . 3.310 3.800 2.469 2.169 3.438 1.141 3 21 "[**+***-*******.* ****** .]" 1
575 1 44 LYS HA 1 45 PHE H 3.400 2.720 4.220 3.562 3.517 3.596 . 0 0 "[ . 1 . 2 .]" 1
576 1 44 LYS HB2 1 45 PHE H 2.990 2.390 3.590 3.515 2.737 3.743 0.153 24 0 "[ . 1 . 2 .]" 1
577 1 44 LYS HB2 1 45 PHE QD 4.950 3.960 6.910 4.922 3.552 5.393 0.408 8 0 "[ . 1 . 2 .]" 1
578 1 44 LYS HB3 1 45 PHE H 2.990 2.390 3.590 2.466 2.301 3.259 0.089 9 0 "[ . 1 . 2 .]" 1
579 1 44 LYS HB3 1 45 PHE QD 4.500 3.600 6.080 3.602 3.403 4.136 0.197 3 0 "[ . 1 . 2 .]" 1
580 1 44 LYS QD 1 45 PHE HA 4.000 4.000 1004.000 3.771 2.518 6.268 1.482 19 15 "[** * *1 -* * **+*** **]" 1
581 1 44 LYS QD 1 45 PHE QD 3.940 3.150 5.100 4.163 2.763 4.981 0.387 12 0 "[ . 1 . 2 .]" 1
582 1 44 LYS QE 1 44 LYS QG 3.700 3.190 4.700 2.745 2.621 2.950 0.569 10 12 "[ * ** *-+ .* 2*****]" 1
583 1 44 LYS QG 1 45 PHE HA 5.880 4.700 8.750 4.478 2.929 5.629 1.771 15 10 "[ * * *1 * + * 2*- **]" 1
584 1 44 LYS QG 1 45 PHE QD 4.990 3.990 6.980 4.728 2.643 5.471 1.347 24 4 "[ . 1 * * 2 +-]" 1
585 1 44 LYS QG 1 48 LYS HA 4.000 4.000 1004.000 6.243 3.197 10.148 0.803 22 2 "[ . 1 . -2 + .]" 1
586 1 45 PHE H 1 45 PHE HA 2.900 2.320 3.480 2.833 2.734 2.912 . 0 0 "[ . 1 . 2 .]" 1
587 1 45 PHE H 1 45 PHE HB2 2.650 2.120 3.180 2.184 2.141 2.325 . 0 0 "[ . 1 . 2 .]" 1
588 1 45 PHE H 1 45 PHE HB3 2.770 2.220 3.320 3.468 3.444 3.524 0.204 24 0 "[ . 1 . 2 .]" 1
589 1 45 PHE H 1 46 THR H 2.760 2.210 3.310 2.591 2.293 2.846 . 0 0 "[ . 1 . 2 .]" 1
590 1 45 PHE HA 1 45 PHE HB2 2.710 2.170 3.250 2.975 2.967 3.007 . 0 0 "[ . 1 . 2 .]" 1
591 1 45 PHE HA 1 45 PHE HB3 2.770 2.220 3.320 2.649 2.544 2.665 . 0 0 "[ . 1 . 2 .]" 1
592 1 45 PHE HA 1 45 PHE QD 3.510 2.810 4.390 2.744 2.605 2.945 0.205 14 0 "[ . 1 . 2 .]" 1
593 1 45 PHE HA 1 46 THR H 3.530 2.820 4.420 3.510 3.468 3.555 . 0 0 "[ . 1 . 2 .]" 1
594 1 45 PHE HA 1 48 LYS HB2 3.630 2.900 4.580 4.392 2.877 5.453 0.873 8 4 "[ . + 1 . * * -]" 1
595 1 45 PHE HA 1 48 LYS HB3 4.000 4.000 1004.000 5.243 4.216 6.089 . 0 0 "[ . 1 . 2 .]" 1
596 1 45 PHE HA 1 48 LYS QD 3.860 3.090 4.970 4.210 3.269 4.991 0.021 18 0 "[ . 1 . 2 .]" 1
597 1 45 PHE HA 1 48 LYS QG 3.150 2.520 3.830 2.804 2.446 3.857 0.074 22 0 "[ . 1 . 2 .]" 1
598 1 45 PHE HB2 1 45 PHE QD 3.200 2.560 3.900 2.390 2.355 2.717 0.205 25 0 "[ . 1 . 2 .]" 1
599 1 45 PHE HB2 1 46 THR H 3.540 2.830 4.440 2.907 2.766 3.110 0.064 12 0 "[ . 1 . 2 .]" 1
600 1 45 PHE HB2 1 46 THR MG 3.990 3.190 5.180 3.532 3.177 4.697 0.013 1 0 "[ . 1 . 2 .]" 1
601 1 45 PHE HB3 1 45 PHE QD 3.330 2.660 4.110 2.496 2.350 2.551 0.310 3 0 "[ . 1 . 2 .]" 1
602 1 45 PHE HB3 1 46 THR H 3.150 2.520 3.830 3.392 3.138 3.621 . 0 0 "[ . 1 . 2 .]" 1
603 1 45 PHE HB3 1 46 THR HA 3.680 2.940 4.670 4.234 3.990 4.725 0.055 10 0 "[ . 1 . 2 .]" 1
604 1 45 PHE HB3 1 46 THR MG 3.970 3.180 5.150 3.459 3.128 4.321 0.052 19 0 "[ . 1 . 2 .]" 1
605 1 45 PHE QD 1 46 THR MG 3.640 2.910 4.600 4.730 4.670 4.864 0.264 12 0 "[ . 1 . 2 .]" 1
606 1 45 PHE QD 1 48 LYS QD 4.850 3.880 6.710 4.784 3.854 6.170 0.026 19 0 "[ . 1 . 2 .]" 1
607 1 46 THR H 1 46 THR HA 2.870 2.300 3.440 2.779 2.299 2.917 0.001 17 0 "[ . 1 . 2 .]" 1
608 1 46 THR H 1 46 THR HB 2.870 2.300 3.440 3.476 3.016 3.606 0.166 1 0 "[ . 1 . 2 .]" 1
609 1 46 THR H 1 46 THR MG 3.020 2.420 3.630 2.478 2.348 2.965 0.072 4 0 "[ . 1 . 2 .]" 1
610 1 46 THR H 1 47 SER H 2.840 2.270 3.410 2.612 2.249 3.452 0.042 18 0 "[ . 1 . 2 .]" 1
611 1 46 THR HA 1 47 SER H 2.900 2.320 3.480 3.212 2.551 3.548 0.068 25 0 "[ . 1 . 2 .]" 1
612 1 46 THR HA 1 47 SER HA 4.240 3.390 5.610 4.643 4.341 4.885 . 0 0 "[ . 1 . 2 .]" 1
613 1 46 THR MG 1 47 SER H 4.200 3.360 5.540 3.989 3.590 4.294 . 0 0 "[ . 1 . 2 .]" 1
614 1 47 SER H 1 47 SER HA 2.750 2.200 3.300 2.786 2.290 2.956 . 0 0 "[ . 1 . 2 .]" 1
615 1 47 SER H 1 47 SER QB 2.670 2.140 3.200 2.595 2.142 3.175 . 0 0 "[ . 1 . 2 .]" 1
616 1 47 SER H 1 48 LYS H 2.870 2.300 3.440 2.555 2.199 3.429 0.101 18 0 "[ . 1 . 2 .]" 1
617 1 47 SER HA 1 48 LYS H 3.040 2.430 3.660 3.113 2.499 3.567 . 0 0 "[ . 1 . 2 .]" 1
618 1 47 SER QB 1 48 LYS H 3.250 2.600 3.980 3.501 2.568 4.004 0.032 20 0 "[ . 1 . 2 .]" 1
619 1 48 LYS H 1 48 LYS HA 2.200 . 2.640 2.740 2.700 2.795 0.155 1 0 "[ . 1 . 2 .]" 1
620 1 48 LYS H 1 48 LYS QB 2.070 . 2.480 2.343 2.145 2.674 0.194 22 0 "[ . 1 . 2 .]" 1
621 1 48 LYS H 1 48 LYS QG 2.330 . 2.800 2.449 1.887 2.856 0.056 11 0 "[ . 1 . 2 .]" 1
622 1 48 LYS H 1 49 ALA H 2.930 2.340 3.520 2.985 2.735 3.745 0.225 18 0 "[ . 1 . 2 .]" 1
623 1 48 LYS HA 1 48 LYS HB2 2.770 2.220 3.320 2.965 2.402 3.020 . 0 0 "[ . 1 . 2 .]" 1
624 1 48 LYS HA 1 48 LYS HB3 2.900 2.320 3.480 2.574 2.358 2.724 . 0 0 "[ . 1 . 2 .]" 1
625 1 48 LYS HA 1 48 LYS QD 3.180 2.540 3.870 3.242 2.467 4.019 0.149 6 0 "[ . 1 . 2 .]" 1
626 1 48 LYS HA 1 48 LYS QG 3.180 2.540 3.870 2.449 2.246 3.438 0.294 11 0 "[ . 1 . 2 .]" 1
627 1 48 LYS QB 1 49 ALA H 2.970 2.380 3.560 2.487 2.221 3.780 0.220 18 0 "[ . 1 . 2 .]" 1
628 1 48 LYS HB2 1 48 LYS QG 2.690 2.150 3.230 2.250 2.153 2.531 . 0 0 "[ . 1 . 2 .]" 1
629 1 48 LYS HB2 1 49 ALA HA 3.880 3.100 5.000 4.516 3.976 5.068 0.068 11 0 "[ . 1 . 2 .]" 1
630 1 48 LYS HB3 1 48 LYS QG 2.740 2.190 3.290 2.422 2.152 2.541 0.038 20 0 "[ . 1 . 2 .]" 1
631 1 48 LYS HB3 1 49 ALA HA 3.580 2.860 4.500 4.531 3.842 5.403 0.903 20 2 "[ . 1 . + -]" 1
632 1 48 LYS QD 1 48 LYS QG 1.790 . 2.150 2.043 1.994 2.102 . 0 0 "[ . 1 . 2 .]" 1
633 1 48 LYS QE 1 48 LYS QG 2.910 2.330 3.490 2.307 2.163 2.432 0.167 22 0 "[ . 1 . 2 .]" 1
634 1 49 ALA H 1 49 ALA HA 2.140 . 2.570 2.546 2.278 2.908 0.338 17 0 "[ . 1 . 2 .]" 1
635 1 49 ALA H 1 49 ALA MB 2.690 2.150 3.230 2.541 2.144 2.987 0.006 9 0 "[ . 1 . 2 .]" 1
636 1 49 ALA HA 1 49 ALA MB 2.620 2.100 3.140 2.119 2.099 2.136 0.001 19 0 "[ . 1 . 2 .]" 1
637 1 50 SER H 1 50 SER HA 2.320 . 2.780 2.622 2.290 2.884 0.104 12 0 "[ . 1 . 2 .]" 1
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