NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443543 |
2ker   |
16157 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ker
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 1636
_Distance_constraint_stats_list.Viol_count 5425
_Distance_constraint_stats_list.Viol_total 7701.705
_Distance_constraint_stats_list.Viol_max 0.467
_Distance_constraint_stats_list.Viol_rms 0.0356
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.0710
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 PRO 3.963 0.224 2 0 "[ . 1 . 2]"
1 6 VAL 12.699 0.446 18 0 "[ . 1 . 2]"
1 7 ALA 7.825 0.233 6 0 "[ . 1 . 2]"
1 8 GLU 7.585 0.215 6 0 "[ . 1 . 2]"
1 9 CYS 5.359 0.185 13 0 "[ . 1 . 2]"
1 10 VAL 11.171 0.174 10 0 "[ . 1 . 2]"
1 11 GLU 7.634 0.183 15 0 "[ . 1 . 2]"
1 12 TYR 15.954 0.307 14 0 "[ . 1 . 2]"
1 13 PHE 0.175 0.027 20 0 "[ . 1 . 2]"
1 14 GLN 3.963 0.246 2 0 "[ . 1 . 2]"
1 15 SER 3.165 0.201 3 0 "[ . 1 . 2]"
1 18 TYR 23.236 0.467 12 0 "[ . 1 . 2]"
1 19 THR 19.780 0.246 2 0 "[ . 1 . 2]"
1 20 ASP 8.888 0.197 15 0 "[ . 1 . 2]"
1 21 VAL 16.370 0.147 6 0 "[ . 1 . 2]"
1 22 HIS 12.692 0.220 5 0 "[ . 1 . 2]"
1 23 ASN 20.579 0.191 16 0 "[ . 1 . 2]"
1 24 GLY 1.872 0.147 16 0 "[ . 1 . 2]"
1 25 CYS 8.993 0.224 18 0 "[ . 1 . 2]"
1 26 ALA 6.077 0.171 3 0 "[ . 1 . 2]"
1 27 ASP 4.509 0.224 18 0 "[ . 1 . 2]"
1 28 ALA 7.470 0.191 16 0 "[ . 1 . 2]"
1 29 VAL 11.061 0.173 15 0 "[ . 1 . 2]"
1 30 SER 14.397 0.221 17 0 "[ . 1 . 2]"
1 31 VAL 33.535 0.446 18 0 "[ . 1 . 2]"
1 32 THR 6.412 0.221 17 0 "[ . 1 . 2]"
1 33 VAL 23.256 0.241 5 0 "[ . 1 . 2]"
1 34 GLU 13.576 0.267 11 0 "[ . 1 . 2]"
1 35 TYR 13.415 0.263 8 0 "[ . 1 . 2]"
1 36 THR 12.018 0.198 17 0 "[ . 1 . 2]"
1 37 HIS 3.253 0.174 16 0 "[ . 1 . 2]"
1 38 GLY 2.305 0.264 13 0 "[ . 1 . 2]"
1 39 GLN 3.884 0.264 13 0 "[ . 1 . 2]"
1 40 TRP 3.261 0.223 14 0 "[ . 1 . 2]"
1 41 ALA 10.907 0.230 2 0 "[ . 1 . 2]"
1 42 PRO 5.835 0.267 11 0 "[ . 1 . 2]"
1 43 CYS 2.054 0.166 8 0 "[ . 1 . 2]"
1 44 ARG 8.044 0.263 19 0 "[ . 1 . 2]"
1 45 VAL 9.751 0.198 5 0 "[ . 1 . 2]"
1 46 ILE 34.288 0.239 7 0 "[ . 1 . 2]"
1 47 GLU 12.872 0.215 14 0 "[ . 1 . 2]"
1 48 PRO 11.099 0.206 10 0 "[ . 1 . 2]"
1 49 GLY 8.210 0.239 7 0 "[ . 1 . 2]"
1 50 GLY 4.720 0.122 16 0 "[ . 1 . 2]"
1 51 TRP 26.006 0.467 12 0 "[ . 1 . 2]"
1 52 ALA 10.282 0.188 2 0 "[ . 1 . 2]"
1 53 THR 8.575 0.370 3 0 "[ . 1 . 2]"
1 54 PHE 26.346 0.307 14 0 "[ . 1 . 2]"
1 55 ALA 2.970 0.138 7 0 "[ . 1 . 2]"
1 56 GLY 6.256 0.281 15 0 "[ . 1 . 2]"
1 57 TYR 13.955 0.281 15 0 "[ . 1 . 2]"
1 58 GLY 2.440 0.240 3 0 "[ . 1 . 2]"
1 59 THR 2.403 0.240 3 0 "[ . 1 . 2]"
1 60 ASP 2.813 0.321 1 0 "[ . 1 . 2]"
1 61 GLY 3.199 0.203 7 0 "[ . 1 . 2]"
1 62 ASN 11.880 0.405 9 0 "[ . 1 . 2]"
1 63 TYR 5.344 0.257 16 0 "[ . 1 . 2]"
1 64 VAL 21.217 0.370 3 0 "[ . 1 . 2]"
1 65 THR 7.971 0.229 20 0 "[ . 1 . 2]"
1 66 GLY 3.108 0.131 15 0 "[ . 1 . 2]"
1 67 LEU 23.002 0.223 17 0 "[ . 1 . 2]"
1 68 HIS 9.408 0.241 5 0 "[ . 1 . 2]"
1 69 THR 9.023 0.252 7 0 "[ . 1 . 2]"
1 70 CYS 8.875 0.216 5 0 "[ . 1 . 2]"
1 71 ASP 6.158 0.175 19 0 "[ . 1 . 2]"
1 72 PRO 10.985 0.271 2 0 "[ . 1 . 2]"
1 73 ALA 8.679 0.271 2 0 "[ . 1 . 2]"
1 74 THR 1.114 0.199 15 0 "[ . 1 . 2]"
1 75 PRO 0.963 0.111 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 PRO HA 1 5 PRO HB2 2.780 2.390 3.170 2.703 2.659 2.762 . 0 0 "[ . 1 . 2]" 1
2 1 5 PRO HB2 1 5 PRO HD3 3.500 2.280 4.720 4.002 3.866 4.101 . 0 0 "[ . 1 . 2]" 1
3 1 5 PRO HB2 1 6 VAL QG 3.430 . 4.900 2.430 2.167 3.054 . 0 0 "[ . 1 . 2]" 1
4 1 5 PRO HB2 1 68 HIS HA 3.570 2.300 4.840 4.523 3.540 4.924 0.084 9 0 "[ . 1 . 2]" 1
5 1 5 PRO HA 1 5 PRO HB3 2.640 2.120 3.160 2.298 2.257 2.325 . 0 0 "[ . 1 . 2]" 1
6 1 5 PRO HB3 1 5 PRO HD3 2.830 2.030 3.630 3.223 2.894 3.678 0.048 10 0 "[ . 1 . 2]" 1
7 1 5 PRO HB3 1 5 PRO QG 1.870 . 2.220 2.223 2.173 2.252 0.032 4 0 "[ . 1 . 2]" 1
8 1 5 PRO HA 1 5 PRO HD2 3.270 . 4.600 4.043 3.911 4.112 . 0 0 "[ . 1 . 2]" 1
9 1 5 PRO HB2 1 5 PRO HD2 4.360 3.410 5.310 3.908 3.561 4.067 . 0 0 "[ . 1 . 2]" 1
10 1 5 PRO HB3 1 5 PRO HD2 3.680 3.000 4.360 3.905 3.833 3.986 . 0 0 "[ . 1 . 2]" 1
11 1 5 PRO HD2 1 5 PRO QG 2.580 2.250 2.910 2.190 2.180 2.199 0.070 19 0 "[ . 1 . 2]" 1
12 1 5 PRO HD2 1 67 LEU HB2 4.190 . 6.000 5.292 4.716 5.644 . 0 0 "[ . 1 . 2]" 1
13 1 5 PRO HD2 1 8 GLU HA 2.900 . 6.000 3.387 2.293 4.190 . 0 0 "[ . 1 . 2]" 1
14 1 5 PRO HA 1 5 PRO HD3 2.880 . 3.920 3.783 3.447 3.995 0.075 20 0 "[ . 1 . 2]" 1
15 1 5 PRO HD3 1 67 LEU HB2 4.690 . 6.000 5.343 4.877 5.864 . 0 0 "[ . 1 . 2]" 1
16 1 5 PRO HA 1 5 PRO QG 3.470 2.270 4.670 3.517 3.491 3.544 . 0 0 "[ . 1 . 2]" 1
17 1 5 PRO HB2 1 5 PRO QG 1.940 . 2.200 2.178 2.161 2.190 . 0 0 "[ . 1 . 2]" 1
18 1 5 PRO HD3 1 5 PRO QG 2.450 . 2.900 2.206 2.167 2.250 . 0 0 "[ . 1 . 2]" 1
19 1 6 VAL HA 1 10 VAL MG1 4.650 . 6.000 5.045 4.658 5.353 . 0 0 "[ . 1 . 2]" 1
20 1 6 VAL HA 1 31 VAL QG 6.000 . 6.000 4.855 4.626 5.139 . 0 0 "[ . 1 . 2]" 1
21 1 6 VAL HA 1 69 THR HB 4.040 2.410 5.670 4.105 3.677 5.090 . 0 0 "[ . 1 . 2]" 1
22 1 6 VAL HA 1 7 ALA MB 4.160 2.430 5.890 4.351 3.749 4.639 . 0 0 "[ . 1 . 2]" 1
23 1 6 VAL HA 1 6 VAL HB 2.620 2.100 3.140 2.333 2.215 2.549 . 0 0 "[ . 1 . 2]" 1
24 1 6 VAL H 1 6 VAL HB 3.350 2.790 3.910 3.788 3.155 3.931 0.021 5 0 "[ . 1 . 2]" 1
25 1 6 VAL QG 1 10 VAL HB 3.050 2.120 3.980 3.797 3.635 4.154 0.174 10 0 "[ . 1 . 2]" 1
26 1 6 VAL QG 1 31 VAL HA 3.190 2.720 3.950 2.754 2.274 3.124 0.446 18 0 "[ . 1 . 2]" 1
27 1 6 VAL HA 1 6 VAL QG 2.870 2.460 3.280 2.467 2.309 2.632 0.151 7 0 "[ . 1 . 2]" 1
28 1 6 VAL HB 1 6 VAL QG 2.080 . 2.410 1.876 1.867 1.888 . 0 0 "[ . 1 . 2]" 1
29 1 6 VAL QG 1 67 LEU HB3 2.010 . 2.520 1.597 1.438 1.923 0.062 5 0 "[ . 1 . 2]" 1
30 1 6 VAL QG 1 68 HIS H 2.800 2.430 3.230 2.489 2.380 2.658 0.050 10 0 "[ . 1 . 2]" 1
31 1 6 VAL QG 1 69 THR HA 3.170 2.420 3.920 2.619 2.347 2.882 0.073 4 0 "[ . 1 . 2]" 1
32 1 6 VAL QG 1 69 THR MG 1.940 . 2.680 2.526 1.655 2.932 0.252 7 0 "[ . 1 . 2]" 1
33 1 6 VAL QG 1 70 CYS HB2 4.050 2.820 5.280 5.193 4.867 5.400 0.120 1 0 "[ . 1 . 2]" 1
34 1 6 VAL QG 1 68 HIS HB3 3.660 2.990 4.090 4.191 4.092 4.300 0.210 19 0 "[ . 1 . 2]" 1
35 1 6 VAL QG 1 69 THR H 3.800 3.080 4.520 3.188 3.003 3.521 0.077 1 0 "[ . 1 . 2]" 1
36 1 6 VAL H 1 6 VAL HA 2.750 . 6.000 2.419 2.241 2.934 . 0 0 "[ . 1 . 2]" 1
37 1 6 VAL H 1 6 VAL QG 2.410 2.230 3.430 2.485 2.128 2.951 0.102 7 0 "[ . 1 . 2]" 1
38 1 6 VAL H 1 68 HIS HA 3.610 . 6.000 3.641 2.896 5.304 . 0 0 "[ . 1 . 2]" 1
39 1 6 VAL H 1 68 HIS H 4.270 . 6.000 5.223 4.532 6.091 0.091 1 0 "[ . 1 . 2]" 1
40 1 6 VAL H 1 69 THR MG 4.310 . 6.000 4.434 4.019 5.176 . 0 0 "[ . 1 . 2]" 1
41 1 6 VAL H 1 8 GLU QG 3.340 . 6.000 4.984 3.873 6.066 0.066 6 0 "[ . 1 . 2]" 1
42 1 6 VAL QG 1 7 ALA HA 4.720 2.400 5.560 3.735 3.592 4.078 . 0 0 "[ . 1 . 2]" 1
43 1 7 ALA HA 1 8 GLU HB2 3.520 2.280 4.760 4.360 4.151 4.849 0.089 6 0 "[ . 1 . 2]" 1
44 1 7 ALA HA 1 8 GLU QG 3.870 . 5.740 3.817 3.521 4.405 . 0 0 "[ . 1 . 2]" 1
45 1 7 ALA MB 1 29 VAL MG2 2.700 . 3.430 2.028 1.927 2.193 0.043 7 0 "[ . 1 . 2]" 1
46 1 7 ALA MB 1 67 LEU MD2 4.130 2.430 5.830 5.823 5.571 5.942 0.112 14 0 "[ . 1 . 2]" 1
47 1 7 ALA HA 1 7 ALA MB 2.380 2.100 2.660 2.127 2.118 2.151 . 0 0 "[ . 1 . 2]" 1
48 1 7 ALA MB 1 8 GLU HA 4.290 2.910 5.670 4.750 4.534 4.942 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA MB 1 8 GLU H 3.090 2.610 3.570 3.233 2.816 3.498 . 0 0 "[ . 1 . 2]" 1
50 1 7 ALA H 1 10 VAL H 4.450 . 6.000 4.997 4.324 5.906 . 0 0 "[ . 1 . 2]" 1
51 1 6 VAL HA 1 7 ALA H 2.120 . 6.000 2.806 2.084 3.497 . 0 0 "[ . 1 . 2]" 1
52 1 6 VAL QG 1 7 ALA H 2.260 . 6.000 2.013 1.499 3.320 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL H 1 7 ALA H 3.000 . 6.000 4.282 3.403 4.635 . 0 0 "[ . 1 . 2]" 1
54 1 7 ALA H 1 69 THR MG 3.680 . 6.000 2.330 1.805 4.475 . 0 0 "[ . 1 . 2]" 1
55 1 7 ALA H 1 7 ALA HA 2.530 . 6.000 2.647 2.251 2.805 . 0 0 "[ . 1 . 2]" 1
56 1 7 ALA H 1 7 ALA MB 2.210 . 6.000 2.371 2.142 2.977 . 0 0 "[ . 1 . 2]" 1
57 1 8 GLU HB2 1 10 VAL MG1 4.300 2.450 6.000 5.416 5.036 5.952 . 0 0 "[ . 1 . 2]" 1
58 1 8 GLU HA 1 8 GLU HB2 2.800 2.210 3.390 3.011 2.996 3.021 . 0 0 "[ . 1 . 2]" 1
59 1 8 GLU HB2 1 8 GLU QG 1.910 . 2.200 2.281 2.146 2.415 0.215 6 0 "[ . 1 . 2]" 1
60 1 8 GLU HB2 1 9 CYS HA 3.960 2.390 5.530 4.437 4.187 4.612 . 0 0 "[ . 1 . 2]" 1
61 1 8 GLU HA 1 8 GLU HB3 2.400 2.110 2.690 2.482 2.376 2.566 . 0 0 "[ . 1 . 2]" 1
62 1 8 GLU HB3 1 9 CYS HA 3.950 2.390 5.510 4.408 3.964 4.916 . 0 0 "[ . 1 . 2]" 1
63 1 7 ALA MB 1 8 GLU QG 3.890 2.750 5.030 4.599 4.276 5.192 0.162 10 0 "[ . 1 . 2]" 1
64 1 8 GLU HA 1 8 GLU QG 2.880 2.260 3.500 2.353 2.233 2.574 0.027 7 0 "[ . 1 . 2]" 1
65 1 8 GLU HB3 1 8 GLU QG 2.430 . 2.870 2.373 2.130 2.517 . 0 0 "[ . 1 . 2]" 1
66 1 8 GLU H 1 8 GLU QG 3.270 2.740 3.800 2.928 2.600 3.070 0.140 6 0 "[ . 1 . 2]" 1
67 1 8 GLU H 1 10 VAL H 3.800 2.360 5.240 3.615 3.179 4.510 . 0 0 "[ . 1 . 2]" 1
68 1 6 VAL QG 1 8 GLU H 4.190 2.440 5.940 2.787 2.234 4.780 0.206 8 0 "[ . 1 . 2]" 1
69 1 7 ALA HA 1 8 GLU H 2.590 . 3.260 3.186 2.101 3.418 0.158 18 0 "[ . 1 . 2]" 1
70 1 7 ALA H 1 8 GLU H 3.290 2.750 3.830 3.029 2.827 3.755 . 0 0 "[ . 1 . 2]" 1
71 1 8 GLU H 1 8 GLU HA 3.020 2.340 3.700 2.315 2.250 2.796 0.090 8 0 "[ . 1 . 2]" 1
72 1 8 GLU H 1 8 GLU HB2 3.460 2.860 4.060 3.502 2.718 3.682 0.142 10 0 "[ . 1 . 2]" 1
73 1 8 GLU H 1 8 GLU HB3 3.480 2.870 4.090 4.065 3.594 4.138 0.048 19 0 "[ . 1 . 2]" 1
74 1 9 CYS QB 1 24 GLY H 3.440 2.260 4.620 2.283 2.113 2.755 0.147 16 0 "[ . 1 . 2]" 1
75 1 9 CYS QB 1 25 CYS HB3 3.420 2.830 4.010 3.526 3.436 3.967 . 0 0 "[ . 1 . 2]" 1
76 1 9 CYS HA 1 9 CYS QB 2.750 2.370 3.130 2.326 2.185 2.399 0.185 13 0 "[ . 1 . 2]" 1
77 1 9 CYS H 1 10 VAL HB 4.060 2.410 5.710 5.740 5.628 5.792 0.082 11 0 "[ . 1 . 2]" 1
78 1 9 CYS H 1 10 VAL MG1 3.960 3.170 4.750 3.197 3.142 3.290 0.028 5 0 "[ . 1 . 2]" 1
79 1 9 CYS H 1 25 CYS HB2 3.810 3.080 4.540 4.370 4.175 4.685 0.145 13 0 "[ . 1 . 2]" 1
80 1 9 CYS H 1 25 CYS HB3 4.830 3.080 6.000 5.649 5.413 5.984 . 0 0 "[ . 1 . 2]" 1
81 1 7 ALA HA 1 9 CYS H 3.720 3.030 4.410 4.115 3.561 4.367 . 0 0 "[ . 1 . 2]" 1
82 1 7 ALA MB 1 9 CYS H 2.990 2.540 3.440 2.901 2.720 3.223 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLU HA 1 9 CYS H 3.470 2.870 4.070 3.477 3.259 3.554 . 0 0 "[ . 1 . 2]" 1
84 1 8 GLU HB3 1 9 CYS H 4.260 3.350 5.170 3.850 3.338 4.361 0.012 7 0 "[ . 1 . 2]" 1
85 1 8 GLU QG 1 9 CYS H 3.960 3.180 4.740 4.254 4.096 4.653 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLU H 1 9 CYS H 3.210 2.690 3.730 3.169 2.763 3.542 . 0 0 "[ . 1 . 2]" 1
87 1 9 CYS H 1 9 CYS HA 2.820 2.420 3.220 2.876 2.844 2.909 . 0 0 "[ . 1 . 2]" 1
88 1 9 CYS H 1 9 CYS QB 2.970 2.530 3.410 2.526 2.421 2.947 0.109 15 0 "[ . 1 . 2]" 1
89 1 10 VAL HA 1 11 GLU HA 3.780 2.350 5.210 4.417 4.382 4.450 . 0 0 "[ . 1 . 2]" 1
90 1 10 VAL HA 1 31 VAL QG 4.490 2.470 6.000 4.887 4.683 5.021 . 0 0 "[ . 1 . 2]" 1
91 1 10 VAL HA 1 10 VAL HB 2.720 . 3.460 2.225 2.216 2.236 . 0 0 "[ . 1 . 2]" 1
92 1 10 VAL HB 1 10 VAL MG1 2.330 2.060 2.600 2.115 2.103 2.122 . 0 0 "[ . 1 . 2]" 1
93 1 10 VAL H 1 10 VAL HB 3.180 2.680 3.680 3.616 3.530 3.762 0.082 13 0 "[ . 1 . 2]" 1
94 1 10 VAL HB 1 67 LEU MD1 4.290 3.370 5.210 4.559 4.449 4.775 . 0 0 "[ . 1 . 2]" 1
95 1 10 VAL HB 1 67 LEU MD2 5.140 . 6.000 4.945 4.823 5.111 . 0 0 "[ . 1 . 2]" 1
96 1 7 ALA MB 1 10 VAL HB 3.720 2.680 4.760 4.646 4.316 4.843 0.083 15 0 "[ . 1 . 2]" 1
97 1 10 VAL HA 1 10 VAL MG1 2.370 . 2.930 2.877 2.791 2.974 0.044 7 0 "[ . 1 . 2]" 1
98 1 10 VAL MG1 1 10 VAL MG2 1.990 . 2.290 2.084 2.068 2.097 . 0 0 "[ . 1 . 2]" 1
99 1 10 VAL H 1 10 VAL MG1 2.240 . 2.620 1.897 1.839 2.123 0.021 19 0 "[ . 1 . 2]" 1
100 1 10 VAL MG1 1 23 ASN HA 3.060 2.590 3.530 3.195 2.876 3.521 . 0 0 "[ . 1 . 2]" 1
101 1 10 VAL MG1 1 24 GLY H 3.590 2.950 4.230 3.913 3.562 4.165 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL MG1 1 29 VAL MG1 2.840 2.030 3.650 3.723 3.684 3.770 0.120 8 0 "[ . 1 . 2]" 1
103 1 10 VAL MG1 1 31 VAL QG 1.840 . 2.200 2.073 1.896 2.222 0.022 6 0 "[ . 1 . 2]" 1
104 1 10 VAL MG1 1 67 LEU HB2 4.390 2.460 6.000 6.073 5.946 6.142 0.142 16 0 "[ . 1 . 2]" 1
105 1 10 VAL MG1 1 67 LEU MD1 3.650 2.310 4.990 4.086 3.985 4.155 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL MG1 1 67 LEU MD2 3.960 2.390 5.530 4.174 4.073 4.291 . 0 0 "[ . 1 . 2]" 1
107 1 7 ALA HA 1 10 VAL MG1 4.640 2.480 6.000 4.422 4.059 4.558 . 0 0 "[ . 1 . 2]" 1
108 1 7 ALA MB 1 10 VAL MG1 2.320 2.050 2.590 2.185 1.956 2.325 0.094 19 0 "[ . 1 . 2]" 1
109 1 9 CYS QB 1 10 VAL MG1 3.240 . 4.550 3.099 2.919 3.821 . 0 0 "[ . 1 . 2]" 1
110 1 10 VAL HA 1 10 VAL MG2 3.180 2.680 3.680 3.019 2.922 3.085 . 0 0 "[ . 1 . 2]" 1
111 1 10 VAL HB 1 10 VAL MG2 2.410 2.120 2.700 2.125 2.120 2.130 . 10 0 "[ . 1 . 2]" 1
112 1 10 VAL MG2 1 11 GLU HA 3.430 2.840 4.020 3.325 3.181 3.471 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL MG2 1 12 TYR QB 4.290 2.910 5.670 4.039 3.815 4.307 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL MG2 1 12 TYR QD 4.380 3.420 5.340 4.793 4.702 4.945 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL MG2 1 19 THR MG 4.700 . 6.000 5.606 5.468 5.727 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL MG2 1 21 VAL HA 3.420 2.830 4.010 3.773 3.678 3.881 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL MG2 1 21 VAL MG2 1.600 . 2.200 1.860 1.785 1.920 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL MG2 1 22 HIS QB 4.670 3.030 6.000 5.776 5.669 5.885 . 0 0 "[ . 1 . 2]" 1
119 1 10 VAL MG2 1 31 VAL QG 1.850 . 2.200 2.156 1.884 2.258 0.058 6 0 "[ . 1 . 2]" 1
120 1 10 VAL MG2 1 52 ALA MB 3.600 2.630 4.570 4.599 4.520 4.665 0.095 20 0 "[ . 1 . 2]" 1
121 1 10 VAL MG2 1 52 ALA H 4.740 3.620 5.860 5.906 5.841 5.941 0.081 19 0 "[ . 1 . 2]" 1
122 1 10 VAL MG2 1 54 PHE QD 4.160 2.430 5.890 5.907 5.837 5.952 0.062 4 0 "[ . 1 . 2]" 1
123 1 10 VAL H 1 10 VAL HA 2.710 2.160 3.260 2.935 2.922 2.949 . 0 0 "[ . 1 . 2]" 1
124 1 10 VAL H 1 10 VAL MG2 3.610 2.960 4.260 3.106 2.961 3.297 . 0 0 "[ . 1 . 2]" 1
125 1 7 ALA HA 1 10 VAL H 4.540 3.000 6.000 5.514 4.850 5.826 . 0 0 "[ . 1 . 2]" 1
126 1 7 ALA MB 1 10 VAL H 3.820 3.090 4.550 3.431 3.063 3.737 0.027 18 0 "[ . 1 . 2]" 1
127 1 8 GLU HA 1 10 VAL H 3.090 2.370 3.810 3.787 3.549 3.905 0.095 7 0 "[ . 1 . 2]" 1
128 1 9 CYS HA 1 10 VAL H 2.920 2.070 3.770 3.361 3.147 3.466 . 0 0 "[ . 1 . 2]" 1
129 1 9 CYS QB 1 10 VAL H 3.390 2.240 4.540 3.229 2.993 3.921 . 0 0 "[ . 1 . 2]" 1
130 1 9 CYS H 1 10 VAL H 2.550 2.230 2.870 2.526 2.385 2.668 . 0 0 "[ . 1 . 2]" 1
131 1 11 GLU HA 1 11 GLU HG2 3.530 2.290 4.770 3.187 2.995 3.284 . 0 0 "[ . 1 . 2]" 1
132 1 11 GLU HA 1 11 GLU HG3 2.770 . 3.540 2.657 2.526 2.754 . 0 0 "[ . 1 . 2]" 1
133 1 11 GLU HA 1 12 TYR QD 5.180 . 6.000 4.311 4.182 4.439 . 0 0 "[ . 1 . 2]" 1
134 1 5 PRO HD2 1 11 GLU HA 2.790 . 6.000 5.823 5.298 6.073 0.073 3 0 "[ . 1 . 2]" 1
135 1 11 GLU HA 1 11 GLU QB 2.730 2.170 3.290 2.329 2.298 2.374 . 0 0 "[ . 1 . 2]" 1
136 1 11 GLU QB 1 11 GLU HG2 2.100 . 2.320 2.342 2.307 2.373 0.053 7 0 "[ . 1 . 2]" 1
137 1 11 GLU H 1 11 GLU QB 3.080 2.600 3.560 2.586 2.518 2.646 0.082 1 0 "[ . 1 . 2]" 1
138 1 11 GLU QB 1 12 TYR H 4.010 3.210 4.810 3.861 3.753 3.945 . 0 0 "[ . 1 . 2]" 1
139 1 11 GLU QB 1 22 HIS QB 2.500 2.390 5.530 4.279 3.808 4.766 . 0 0 "[ . 1 . 2]" 1
140 1 9 CYS HA 1 11 GLU QB 3.680 . 6.000 5.251 4.991 5.517 . 0 0 "[ . 1 . 2]" 1
141 1 11 GLU QB 1 11 GLU HG3 2.410 . 2.850 2.335 2.295 2.376 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLU H 1 11 GLU HG3 3.980 3.190 4.770 4.769 4.744 4.809 0.039 4 0 "[ . 1 . 2]" 1
143 1 10 VAL HA 1 11 GLU H 2.170 . 2.410 2.242 2.193 2.283 . 0 0 "[ . 1 . 2]" 1
144 1 10 VAL MG1 1 11 GLU H 3.970 3.180 4.760 4.355 4.291 4.421 . 0 0 "[ . 1 . 2]" 1
145 1 10 VAL MG2 1 11 GLU H 2.790 2.400 3.180 2.860 2.691 2.981 . 0 0 "[ . 1 . 2]" 1
146 1 10 VAL H 1 11 GLU H 5.240 3.180 6.000 4.525 4.464 4.563 . 0 0 "[ . 1 . 2]" 1
147 1 11 GLU H 1 11 GLU HA 2.520 2.200 2.840 2.929 2.919 2.940 0.100 8 0 "[ . 1 . 2]" 1
148 1 11 GLU H 1 11 GLU HG2 3.710 2.670 4.750 4.382 4.263 4.496 . 0 0 "[ . 1 . 2]" 1
149 1 11 GLU H 1 12 TYR H 3.910 3.140 4.680 4.161 4.032 4.224 . 0 0 "[ . 1 . 2]" 1
150 1 11 GLU H 1 23 ASN HB2 4.980 2.500 6.000 4.794 4.677 4.894 . 0 0 "[ . 1 . 2]" 1
151 1 11 GLU H 1 24 GLY H 4.300 2.450 6.000 5.010 4.728 5.218 . 0 0 "[ . 1 . 2]" 1
152 1 11 GLU H 1 51 TRP HD1 5.140 . 6.000 6.147 6.095 6.183 0.183 15 0 "[ . 1 . 2]" 1
153 1 11 GLU H 1 67 LEU MD1 4.290 2.450 6.000 4.617 4.342 4.833 . 0 0 "[ . 1 . 2]" 1
154 1 12 TYR HA 1 12 TYR QB 2.430 2.130 2.730 2.162 2.153 2.168 . 0 0 "[ . 1 . 2]" 1
155 1 12 TYR HA 1 12 TYR QD 3.790 2.710 4.870 3.548 3.479 3.600 . 0 0 "[ . 1 . 2]" 1
156 1 12 TYR HA 1 19 THR HA 4.630 3.020 6.000 5.447 5.305 5.614 . 0 0 "[ . 1 . 2]" 1
157 1 12 TYR HA 1 19 THR MG 4.510 3.490 5.530 3.898 3.755 4.038 . 0 0 "[ . 1 . 2]" 1
158 1 12 TYR HA 1 20 ASP HB2 3.350 2.230 4.470 4.612 4.569 4.667 0.197 15 0 "[ . 1 . 2]" 1
159 1 12 TYR HA 1 20 ASP HB3 4.260 2.440 6.000 5.676 5.623 5.748 . 0 0 "[ . 1 . 2]" 1
160 1 12 TYR HA 1 21 VAL HA 2.210 . 2.580 1.837 1.786 1.936 0.054 9 0 "[ . 1 . 2]" 1
161 1 12 TYR HA 1 21 VAL MG1 3.620 2.970 4.270 3.649 3.495 3.749 . 0 0 "[ . 1 . 2]" 1
162 1 12 TYR HA 1 22 HIS H 3.860 3.110 4.610 3.074 3.028 3.117 0.082 19 0 "[ . 1 . 2]" 1
163 1 12 TYR HA 1 67 LEU MD1 4.950 2.500 6.000 4.132 3.926 4.422 . 0 0 "[ . 1 . 2]" 1
164 1 12 TYR HA 1 67 LEU MD2 5.020 2.500 6.000 5.850 5.692 6.045 0.045 6 0 "[ . 1 . 2]" 1
165 1 12 TYR QB 1 12 TYR QD 2.480 2.170 2.790 2.290 2.234 2.346 . 0 0 "[ . 1 . 2]" 1
166 1 12 TYR QB 1 12 TYR QE 3.980 3.190 4.770 3.980 3.956 4.004 . 0 0 "[ . 1 . 2]" 1
167 1 12 TYR QB 1 21 VAL HA 2.850 2.440 3.260 2.727 2.658 2.805 . 0 0 "[ . 1 . 2]" 1
168 1 12 TYR QB 1 21 VAL MG1 2.610 2.270 2.950 2.434 2.293 2.535 . 0 0 "[ . 1 . 2]" 1
169 1 12 TYR HB3 1 33 VAL MG2 5.710 . 6.000 5.806 5.565 5.916 . 0 0 "[ . 1 . 2]" 1
170 1 11 GLU QB 1 12 TYR QD 5.040 3.130 6.000 5.314 5.120 5.455 . 0 0 "[ . 1 . 2]" 1
171 1 12 TYR H 1 12 TYR QD 3.050 2.590 3.510 2.483 2.432 2.554 0.158 14 0 "[ . 1 . 2]" 1
172 1 12 TYR QD 1 13 PHE HA 3.920 3.150 4.690 3.462 3.275 3.636 . 0 0 "[ . 1 . 2]" 1
173 1 12 TYR QD 1 19 THR MG 2.760 2.380 3.140 2.596 2.383 2.699 . 0 0 "[ . 1 . 2]" 1
174 1 12 TYR QD 1 21 VAL HA 4.580 . 6.000 4.656 4.609 4.708 . 0 0 "[ . 1 . 2]" 1
175 1 12 TYR QD 1 21 VAL MG1 3.610 2.960 4.260 3.440 3.264 3.611 . 0 0 "[ . 1 . 2]" 1
176 1 12 TYR QD 1 21 VAL MG2 4.270 2.900 5.640 4.894 4.750 5.003 . 0 0 "[ . 1 . 2]" 1
177 1 12 TYR QD 1 31 VAL QG 5.080 3.150 6.000 5.222 5.019 5.413 . 0 0 "[ . 1 . 2]" 1
178 1 12 TYR QD 1 31 VAL MG2 5.600 . 6.000 5.419 5.173 5.661 . 0 0 "[ . 1 . 2]" 1
179 1 12 TYR QD 1 33 VAL MG1 3.830 2.360 5.300 2.665 2.408 2.797 . 0 0 "[ . 1 . 2]" 1
180 1 12 TYR QD 1 64 VAL HB 4.270 2.900 5.640 4.660 4.535 4.741 . 0 0 "[ . 1 . 2]" 1
181 1 12 TYR QD 1 64 VAL MG1 4.020 3.210 4.830 4.228 4.133 4.341 . 0 0 "[ . 1 . 2]" 1
182 1 12 TYR QD 1 64 VAL MG2 3.210 2.440 3.980 2.401 2.349 2.477 0.091 12 0 "[ . 1 . 2]" 1
183 1 12 TYR QD 1 66 GLY HA2 5.250 2.490 6.000 5.921 5.658 6.119 0.119 17 0 "[ . 1 . 2]" 1
184 1 12 TYR QD 1 67 LEU MD1 2.890 2.470 3.310 2.436 2.390 2.505 0.080 17 0 "[ . 1 . 2]" 1
185 1 12 TYR QD 1 67 LEU MD2 3.490 2.880 4.100 3.406 3.232 3.532 . 0 0 "[ . 1 . 2]" 1
186 1 12 TYR H 1 12 TYR QE 4.140 3.280 5.000 4.072 3.912 4.168 . 0 0 "[ . 1 . 2]" 1
187 1 12 TYR QE 1 19 THR MG 4.000 . 6.000 3.949 3.767 4.063 . 0 0 "[ . 1 . 2]" 1
188 1 12 TYR QE 1 33 VAL MG1 3.950 2.390 5.510 2.814 2.540 3.153 . 0 0 "[ . 1 . 2]" 1
189 1 12 TYR QE 1 64 VAL HB 3.680 3.000 4.360 4.483 4.336 4.625 0.265 2 0 "[ . 1 . 2]" 1
190 1 12 TYR QE 1 64 VAL MG1 4.500 3.490 5.510 4.711 4.591 4.826 . 0 0 "[ . 1 . 2]" 1
191 1 12 TYR QE 1 64 VAL MG2 2.820 2.220 3.420 2.254 2.144 2.343 0.076 15 0 "[ . 1 . 2]" 1
192 1 12 TYR QE 1 66 GLY HA2 3.930 2.770 5.090 3.751 3.443 3.993 . 0 0 "[ . 1 . 2]" 1
193 1 12 TYR QE 1 67 LEU HA 4.160 3.300 5.020 4.035 3.633 4.374 . 0 0 "[ . 1 . 2]" 1
194 1 12 TYR QE 1 67 LEU MD1 3.470 2.870 4.070 3.094 2.893 3.165 . 0 0 "[ . 1 . 2]" 1
195 1 12 TYR QE 1 67 LEU MD2 4.230 3.340 5.120 4.198 3.989 4.436 . 0 0 "[ . 1 . 2]" 1
196 1 10 VAL MG2 1 12 TYR H 4.530 2.480 6.000 3.819 3.527 4.064 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLU HA 1 12 TYR H 2.570 2.240 2.900 2.195 2.169 2.211 0.071 16 0 "[ . 1 . 2]" 1
198 1 11 GLU HG2 1 12 TYR H 5.130 3.160 6.000 3.404 3.124 3.724 0.036 7 0 "[ . 1 . 2]" 1
199 1 11 GLU HG3 1 12 TYR H 3.610 2.300 4.920 3.407 3.007 3.742 . 0 0 "[ . 1 . 2]" 1
200 1 12 TYR H 1 12 TYR HA 3.420 2.830 4.010 2.913 2.901 2.923 . 0 0 "[ . 1 . 2]" 1
201 1 12 TYR H 1 12 TYR QB 3.180 2.170 4.190 2.833 2.766 2.906 . 0 0 "[ . 1 . 2]" 1
202 1 12 TYR HA 1 13 PHE H 2.560 2.230 2.890 2.276 2.214 2.365 0.016 1 0 "[ . 1 . 2]" 1
203 1 12 TYR QB 1 13 PHE H 2.710 2.160 3.260 2.338 2.192 2.512 . 0 0 "[ . 1 . 2]" 1
204 1 12 TYR QD 1 13 PHE H 3.870 3.120 4.620 3.825 3.636 4.020 . 0 0 "[ . 1 . 2]" 1
205 1 12 TYR H 1 13 PHE H 5.000 2.500 6.000 4.538 4.520 4.561 . 0 0 "[ . 1 . 2]" 1
206 1 13 PHE H 1 13 PHE HA 3.260 2.730 3.790 2.908 2.892 2.929 . 0 0 "[ . 1 . 2]" 1
207 1 13 PHE H 1 19 THR MG 4.180 3.300 5.060 3.388 3.273 3.630 0.027 20 0 "[ . 1 . 2]" 1
208 1 13 PHE H 1 20 ASP HB2 4.190 2.430 5.950 4.337 4.179 4.506 . 0 0 "[ . 1 . 2]" 1
209 1 13 PHE H 1 20 ASP HB3 4.650 3.030 6.000 4.810 4.701 4.903 . 0 0 "[ . 1 . 2]" 1
210 1 13 PHE H 1 21 VAL HA 3.910 2.380 5.440 3.825 3.734 3.946 . 0 0 "[ . 1 . 2]" 1
211 1 13 PHE H 1 21 VAL MG1 4.840 3.090 6.000 4.519 4.417 4.617 . 0 0 "[ . 1 . 2]" 1
212 1 13 PHE H 1 21 VAL MG2 5.680 2.460 6.000 5.969 5.920 6.026 0.026 20 0 "[ . 1 . 2]" 1
213 1 14 GLN HA 1 14 GLN QB 3.200 2.180 4.220 2.254 2.145 2.459 0.035 13 0 "[ . 1 . 2]" 1
214 1 14 GLN HA 1 15 SER H 2.760 2.190 3.330 2.127 2.096 2.155 0.094 10 0 "[ . 1 . 2]" 1
215 1 14 GLN HA 1 18 TYR HB3 4.000 3.200 4.800 4.889 4.816 4.963 0.163 11 0 "[ . 1 . 2]" 1
216 1 14 GLN HA 1 19 THR HA 2.600 2.260 2.940 2.454 2.262 2.697 . 0 0 "[ . 1 . 2]" 1
217 1 14 GLN HA 1 19 THR MG 4.090 3.250 4.930 4.005 3.675 4.316 . 0 0 "[ . 1 . 2]" 1
218 1 14 GLN QB 1 57 TYR HA 4.500 2.470 6.000 5.935 5.724 6.067 0.067 2 0 "[ . 1 . 2]" 1
219 1 14 GLN QB 1 15 SER H 3.870 2.370 5.370 3.435 3.107 3.668 . 0 0 "[ . 1 . 2]" 1
220 1 15 SER H 1 15 SER HA 3.440 2.260 4.620 2.925 2.899 2.937 . 0 0 "[ . 1 . 2]" 1
221 1 15 SER H 1 15 SER QB 2.990 2.100 3.880 2.637 2.342 3.076 . 0 0 "[ . 1 . 2]" 1
222 1 15 SER H 1 18 TYR HB3 3.600 2.310 4.890 3.245 2.978 3.682 . 0 0 "[ . 1 . 2]" 1
223 1 15 SER H 1 18 TYR H 3.540 2.290 4.790 3.141 2.889 3.504 . 0 0 "[ . 1 . 2]" 1
224 1 15 SER H 1 19 THR HA 4.410 3.440 5.380 3.381 3.239 3.666 0.201 3 0 "[ . 1 . 2]" 1
225 1 15 SER H 1 19 THR HB 4.610 2.490 6.000 5.912 5.546 6.072 0.072 20 0 "[ . 1 . 2]" 1
226 1 15 SER H 1 19 THR MG 4.930 2.500 6.000 5.336 5.140 5.599 . 0 0 "[ . 1 . 2]" 1
227 1 18 TYR HA 1 18 TYR HB2 3.110 2.630 3.590 2.691 2.641 2.777 . 0 0 "[ . 1 . 2]" 1
228 1 18 TYR HA 1 19 THR HB 5.680 3.260 6.000 4.535 4.484 4.576 . 0 0 "[ . 1 . 2]" 1
229 1 18 TYR HA 1 55 ALA HA 3.680 3.000 4.360 4.270 4.013 4.398 0.038 11 0 "[ . 1 . 2]" 1
230 1 18 TYR HA 1 56 GLY HA2 4.220 3.330 5.110 5.159 5.055 5.231 0.121 5 0 "[ . 1 . 2]" 1
231 1 18 TYR HA 1 56 GLY HA3 4.080 3.250 4.910 4.189 4.008 4.378 . 0 0 "[ . 1 . 2]" 1
232 1 18 TYR HB2 1 53 THR MG 4.550 2.480 6.000 4.376 4.158 4.508 . 0 0 "[ . 1 . 2]" 1
233 1 18 TYR HA 1 18 TYR HB3 3.480 2.870 4.090 2.967 2.900 3.005 . 0 0 "[ . 1 . 2]" 1
234 1 18 TYR HB3 1 19 THR H 3.870 3.120 4.620 4.220 4.071 4.321 . 0 0 "[ . 1 . 2]" 1
235 1 18 TYR HA 1 18 TYR QD 3.910 2.380 5.440 2.994 2.732 3.108 . 0 0 "[ . 1 . 2]" 1
236 1 18 TYR HB2 1 18 TYR QD 3.550 2.290 4.810 2.312 2.256 2.375 0.034 4 0 "[ . 1 . 2]" 1
237 1 18 TYR HB3 1 18 TYR QD 3.140 2.400 3.880 2.591 2.433 2.733 . 0 0 "[ . 1 . 2]" 1
238 1 18 TYR QD 1 20 ASP HA 3.850 3.110 4.590 3.249 3.053 3.541 0.057 11 0 "[ . 1 . 2]" 1
239 1 18 TYR QD 1 20 ASP H 4.120 2.850 5.390 3.411 3.153 3.665 . 0 0 "[ . 1 . 2]" 1
240 1 18 TYR QD 1 51 TRP HE3 3.400 2.820 3.980 4.256 4.073 4.447 0.467 12 0 "[ . 1 . 2]" 1
241 1 18 TYR HB3 1 18 TYR QE 4.590 3.540 5.640 4.470 4.423 4.505 . 0 0 "[ . 1 . 2]" 1
242 1 18 TYR QE 1 20 ASP HA 5.190 3.170 6.000 3.517 3.001 4.047 0.169 18 0 "[ . 1 . 2]" 1
243 1 18 TYR QE 1 51 TRP HE3 3.250 2.720 3.780 2.542 2.458 2.635 0.262 12 0 "[ . 1 . 2]" 1
244 1 18 TYR QE 1 52 ALA HA 5.000 3.130 6.000 5.861 5.372 6.115 0.115 1 0 "[ . 1 . 2]" 1
245 1 15 SER HA 1 18 TYR H 4.520 2.980 6.000 4.847 4.644 5.184 . 0 0 "[ . 1 . 2]" 1
246 1 18 TYR H 1 18 TYR HA 2.910 2.490 3.330 2.914 2.877 2.934 . 0 0 "[ . 1 . 2]" 1
247 1 18 TYR H 1 18 TYR HB2 2.840 2.440 3.240 2.846 2.708 3.060 . 0 0 "[ . 1 . 2]" 1
248 1 18 TYR H 1 18 TYR HB3 2.900 2.480 3.320 3.087 2.918 3.282 . 0 0 "[ . 1 . 2]" 1
249 1 18 TYR H 1 18 TYR QD 4.390 2.460 6.000 4.419 4.315 4.498 . 0 0 "[ . 1 . 2]" 1
250 1 18 TYR H 1 19 THR HA 4.260 2.900 5.620 4.518 4.327 4.704 . 0 0 "[ . 1 . 2]" 1
251 1 18 TYR H 1 53 THR MG 3.420 . 6.000 5.439 5.308 5.620 . 0 0 "[ . 1 . 2]" 1
252 1 18 TYR H 1 55 ALA HA 4.390 3.430 5.350 5.416 5.337 5.488 0.138 7 0 "[ . 1 . 2]" 1
253 1 18 TYR H 1 56 GLY HA2 5.010 2.500 6.000 4.466 4.209 4.887 . 0 0 "[ . 1 . 2]" 1
254 1 18 TYR H 1 56 GLY HA3 3.250 2.200 4.300 2.835 2.564 3.206 . 0 0 "[ . 1 . 2]" 1
255 1 18 TYR H 1 57 TYR H 3.760 2.350 5.170 4.773 4.212 5.170 0.000 12 0 "[ . 1 . 2]" 1
256 1 19 THR HB 1 54 PHE HB3 3.370 . 4.790 3.382 3.290 3.459 . 0 0 "[ . 1 . 2]" 1
257 1 19 THR HB 1 54 PHE QE 5.170 . 6.000 6.019 5.799 6.080 0.080 9 0 "[ . 1 . 2]" 1
258 1 12 TYR QB 1 19 THR MG 2.320 . 2.720 1.986 1.866 2.125 0.054 9 0 "[ . 1 . 2]" 1
259 1 14 GLN QB 1 19 THR MG 3.920 3.150 4.690 4.329 3.633 4.936 0.246 2 0 "[ . 1 . 2]" 1
260 1 19 THR HA 1 19 THR MG 3.000 2.550 3.450 2.613 2.496 2.681 0.054 2 0 "[ . 1 . 2]" 1
261 1 19 THR HB 1 19 THR MG 2.490 2.180 2.800 2.133 2.126 2.140 0.054 8 0 "[ . 1 . 2]" 1
262 1 19 THR MG 1 21 VAL HA 4.600 3.010 6.000 4.402 4.268 4.487 . 0 0 "[ . 1 . 2]" 1
263 1 19 THR MG 1 21 VAL MG2 3.930 2.770 5.090 4.801 4.689 4.867 . 0 0 "[ . 1 . 2]" 1
264 1 19 THR MG 1 33 VAL MG2 3.630 2.970 4.290 3.796 3.543 4.026 . 0 0 "[ . 1 . 2]" 1
265 1 19 THR MG 1 54 PHE HB3 5.000 3.130 6.000 3.692 3.507 4.043 . 0 0 "[ . 1 . 2]" 1
266 1 19 THR MG 1 54 PHE QE 4.700 3.600 5.800 4.549 4.414 4.748 . 0 0 "[ . 1 . 2]" 1
267 1 19 THR MG 1 67 LEU MD1 4.210 2.430 5.990 3.925 3.799 4.121 . 0 0 "[ . 1 . 2]" 1
268 1 19 THR MG 1 67 LEU MD2 3.820 2.730 4.910 4.274 4.092 4.523 . 0 0 "[ . 1 . 2]" 1
269 1 18 TYR HA 1 19 THR H 2.720 2.350 3.090 2.259 2.239 2.277 0.111 2 0 "[ . 1 . 2]" 1
270 1 18 TYR HB2 1 19 THR H 4.130 3.280 4.980 4.642 4.623 4.658 . 0 0 "[ . 1 . 2]" 1
271 1 18 TYR H 1 19 THR H 3.880 3.130 4.630 3.720 3.598 3.824 . 0 0 "[ . 1 . 2]" 1
272 1 19 THR H 1 19 THR HA 3.520 2.900 4.140 2.895 2.883 2.911 0.017 2 0 "[ . 1 . 2]" 1
273 1 19 THR H 1 19 THR HB 2.980 2.310 3.650 2.288 2.259 2.345 0.051 14 0 "[ . 1 . 2]" 1
274 1 19 THR H 1 19 THR MG 5.160 3.170 6.000 3.684 3.655 3.716 . 0 0 "[ . 1 . 2]" 1
275 1 19 THR H 1 54 PHE H 3.440 2.550 4.330 2.635 2.526 2.714 0.024 10 0 "[ . 1 . 2]" 1
276 1 19 THR H 1 55 ALA HA 3.560 2.930 4.190 4.171 3.979 4.237 0.047 1 0 "[ . 1 . 2]" 1
277 1 19 THR H 1 56 GLY HA2 3.760 . 6.000 3.800 3.653 3.914 . 0 0 "[ . 1 . 2]" 1
278 1 19 THR H 1 56 GLY HA3 3.910 2.380 5.440 3.560 3.387 3.741 . 0 0 "[ . 1 . 2]" 1
279 1 19 THR H 1 57 TYR H 4.710 2.490 6.000 5.933 5.721 6.048 0.048 8 0 "[ . 1 . 2]" 1
280 1 20 ASP HA 1 53 THR HA 3.000 2.550 3.450 3.412 3.260 3.519 0.069 18 0 "[ . 1 . 2]" 1
281 1 20 ASP HA 1 20 ASP HB2 3.510 2.590 4.430 2.551 2.523 2.577 0.067 12 0 "[ . 1 . 2]" 1
282 1 20 ASP HB2 1 51 TRP HE3 3.500 2.890 4.110 3.718 3.589 3.973 . 0 0 "[ . 1 . 2]" 1
283 1 20 ASP HB2 1 51 TRP HZ2 3.250 2.720 3.780 3.582 3.539 3.642 . 0 0 "[ . 1 . 2]" 1
284 1 20 ASP HB3 1 51 TRP HE3 3.560 2.920 4.200 3.306 3.129 3.574 . 0 0 "[ . 1 . 2]" 1
285 1 12 TYR QB 1 20 ASP H 4.020 2.810 5.230 3.852 3.723 3.984 . 0 0 "[ . 1 . 2]" 1
286 1 15 SER QB 1 20 ASP H 2.440 . 6.000 4.772 4.337 5.529 . 0 0 "[ . 1 . 2]" 1
287 1 18 TYR H 1 20 ASP H 4.260 2.450 6.000 5.613 5.417 5.853 . 0 0 "[ . 1 . 2]" 1
288 1 19 THR HA 1 20 ASP H 2.600 2.090 3.110 2.142 2.102 2.183 . 0 0 "[ . 1 . 2]" 1
289 1 19 THR MG 1 20 ASP H 3.560 2.930 4.190 3.429 3.352 3.555 . 0 0 "[ . 1 . 2]" 1
290 1 19 THR H 1 20 ASP H 4.190 2.430 5.950 4.138 4.033 4.208 . 0 0 "[ . 1 . 2]" 1
291 1 20 ASP H 1 20 ASP HA 3.430 2.840 4.020 2.895 2.884 2.907 . 0 0 "[ . 1 . 2]" 1
292 1 20 ASP H 1 20 ASP HB2 3.930 3.160 4.700 3.585 3.548 3.630 . 0 0 "[ . 1 . 2]" 1
293 1 20 ASP H 1 20 ASP HB3 3.440 2.850 4.030 2.971 2.904 3.035 . 0 0 "[ . 1 . 2]" 1
294 1 20 ASP H 1 21 VAL H 4.380 3.420 5.340 4.326 4.263 4.361 . 0 0 "[ . 1 . 2]" 1
295 1 20 ASP H 1 53 THR HA 4.310 2.450 6.000 5.214 5.085 5.330 . 0 0 "[ . 1 . 2]" 1
296 1 20 ASP H 1 54 PHE HB2 4.600 . 6.000 5.932 5.793 6.021 0.021 2 0 "[ . 1 . 2]" 1
297 1 21 VAL HA 1 21 VAL HB 2.020 . 2.530 2.202 2.194 2.209 . 0 0 "[ . 1 . 2]" 1
298 1 21 VAL HA 1 67 LEU MD1 4.880 . 6.000 3.970 3.767 4.254 . 0 0 "[ . 1 . 2]" 1
299 1 21 VAL HA 1 67 LEU MD2 5.210 . 6.000 5.297 5.185 5.485 . 0 0 "[ . 1 . 2]" 1
300 1 12 TYR HA 1 21 VAL HB 4.300 2.910 5.690 3.228 3.140 3.340 . 0 0 "[ . 1 . 2]" 1
301 1 12 TYR QB 1 21 VAL HB 2.410 2.120 2.700 2.189 2.107 2.361 0.013 8 0 "[ . 1 . 2]" 1
302 1 21 VAL HB 1 52 ALA H 4.190 3.310 5.070 4.974 4.899 5.022 . 0 0 "[ . 1 . 2]" 1
303 1 19 THR MG 1 21 VAL MG1 2.080 . 2.400 2.429 2.320 2.479 0.079 6 0 "[ . 1 . 2]" 1
304 1 21 VAL HA 1 21 VAL MG1 3.000 2.550 3.450 2.966 2.944 2.996 . 0 0 "[ . 1 . 2]" 1
305 1 21 VAL HB 1 21 VAL MG1 2.220 . 2.470 2.113 2.106 2.119 . 0 0 "[ . 1 . 2]" 1
306 1 21 VAL H 1 21 VAL MG1 2.600 2.090 3.110 2.015 1.981 2.045 0.109 14 0 "[ . 1 . 2]" 1
307 1 21 VAL MG1 1 33 VAL MG1 3.050 2.120 3.980 3.345 3.222 3.461 . 0 0 "[ . 1 . 2]" 1
308 1 21 VAL MG1 1 33 VAL MG2 3.350 2.230 4.470 3.701 3.579 3.777 . 0 0 "[ . 1 . 2]" 1
309 1 21 VAL MG1 1 54 PHE QD 2.320 . 2.720 2.178 2.130 2.222 . 0 0 "[ . 1 . 2]" 1
310 1 21 VAL MG1 1 54 PHE QE 2.410 . 2.850 1.998 1.939 2.120 0.031 5 0 "[ . 1 . 2]" 1
311 1 21 VAL MG1 1 67 LEU HB2 4.350 . 6.000 5.807 5.676 5.935 . 0 0 "[ . 1 . 2]" 1
312 1 21 VAL MG1 1 67 LEU MD1 3.100 2.140 4.060 2.894 2.780 2.965 . 0 0 "[ . 1 . 2]" 1
313 1 21 VAL MG1 1 67 LEU MD2 2.460 . 3.060 2.634 2.479 2.739 . 0 0 "[ . 1 . 2]" 1
314 1 12 TYR HA 1 21 VAL MG2 4.510 3.490 5.530 4.317 4.264 4.411 . 0 0 "[ . 1 . 2]" 1
315 1 12 TYR QB 1 21 VAL MG2 3.750 3.050 4.450 3.784 3.718 3.905 . 0 0 "[ . 1 . 2]" 1
316 1 21 VAL HA 1 21 VAL MG2 2.670 2.310 3.030 2.919 2.894 2.936 . 0 0 "[ . 1 . 2]" 1
317 1 21 VAL HB 1 21 VAL MG2 2.400 2.110 2.690 2.115 2.108 2.119 0.002 20 0 "[ . 1 . 2]" 1
318 1 21 VAL MG1 1 21 VAL MG2 1.910 . 2.270 2.086 2.079 2.101 . 0 0 "[ . 1 . 2]" 1
319 1 21 VAL MG2 1 33 VAL MG2 5.750 . 6.000 5.112 5.002 5.195 . 0 0 "[ . 1 . 2]" 1
320 1 21 VAL MG2 1 46 ILE HA 4.400 2.950 5.850 5.106 5.008 5.186 . 0 0 "[ . 1 . 2]" 1
321 1 21 VAL MG2 1 51 TRP HA 3.530 2.590 4.470 3.457 3.397 3.543 . 0 0 "[ . 1 . 2]" 1
322 1 12 TYR QB 1 21 VAL H 3.960 2.390 5.530 3.842 3.773 3.944 . 0 0 "[ . 1 . 2]" 1
323 1 13 PHE H 1 21 VAL H 4.140 3.280 5.000 4.717 4.647 4.831 . 0 0 "[ . 1 . 2]" 1
324 1 19 THR MG 1 21 VAL H 3.870 2.370 5.370 3.820 3.601 3.910 . 0 0 "[ . 1 . 2]" 1
325 1 20 ASP HA 1 21 VAL H 2.500 2.190 2.810 2.153 2.135 2.173 0.055 19 0 "[ . 1 . 2]" 1
326 1 20 ASP HB2 1 21 VAL H 3.800 3.080 4.520 3.686 3.604 3.761 . 0 0 "[ . 1 . 2]" 1
327 1 20 ASP HB3 1 21 VAL H 4.700 3.590 5.810 4.292 4.240 4.338 . 0 0 "[ . 1 . 2]" 1
328 1 21 VAL H 1 21 VAL HA 3.200 2.690 3.710 2.925 2.920 2.930 . 0 0 "[ . 1 . 2]" 1
329 1 21 VAL H 1 21 VAL HB 3.120 2.630 3.610 3.600 3.549 3.621 0.011 4 0 "[ . 1 . 2]" 1
330 1 21 VAL H 1 21 VAL MG2 3.790 3.070 4.510 3.334 3.296 3.387 . 0 0 "[ . 1 . 2]" 1
331 1 21 VAL H 1 22 HIS HA 4.120 2.430 5.810 4.933 4.889 4.977 . 0 0 "[ . 1 . 2]" 1
332 1 21 VAL H 1 52 ALA MB 5.280 3.190 6.000 3.550 3.414 3.674 . 0 0 "[ . 1 . 2]" 1
333 1 21 VAL H 1 52 ALA H 2.520 2.200 2.840 2.410 2.345 2.538 . 0 0 "[ . 1 . 2]" 1
334 1 21 VAL H 1 53 THR HA 3.590 2.950 4.230 4.153 4.070 4.217 . 0 0 "[ . 1 . 2]" 1
335 1 21 VAL H 1 54 PHE QD 3.980 2.390 5.570 4.219 4.106 4.414 . 0 0 "[ . 1 . 2]" 1
336 1 22 HIS HA 1 22 HIS QB 2.780 2.010 3.550 2.159 2.150 2.169 . 0 0 "[ . 1 . 2]" 1
337 1 22 HIS HA 1 23 ASN HB3 4.400 2.470 6.000 4.448 4.366 4.530 . 0 0 "[ . 1 . 2]" 1
338 1 22 HIS HA 1 31 VAL QG 3.670 . 6.000 6.095 6.037 6.161 0.161 10 0 "[ . 1 . 2]" 1
339 1 11 GLU H 1 22 HIS QB 3.680 3.000 4.360 4.210 4.032 4.384 0.024 7 0 "[ . 1 . 2]" 1
340 1 11 GLU QB 1 22 HIS HD2 3.930 2.380 5.480 5.124 4.713 5.465 . 0 0 "[ . 1 . 2]" 1
341 1 11 GLU HG2 1 22 HIS HD2 4.060 2.820 5.300 5.299 5.007 5.373 0.073 3 0 "[ . 1 . 2]" 1
342 1 20 ASP HB2 1 22 HIS HD2 3.410 . 4.870 2.565 2.075 3.023 . 0 0 "[ . 1 . 2]" 1
343 1 22 HIS QB 1 22 HIS HD2 3.480 . 5.000 2.805 2.747 2.885 . 0 0 "[ . 1 . 2]" 1
344 1 22 HIS HD2 1 51 TRP HA 4.640 . 6.000 5.235 4.780 5.599 . 0 0 "[ . 1 . 2]" 1
345 1 22 HIS HD2 1 51 TRP HB3 4.270 . 6.000 5.665 5.095 6.090 0.090 7 0 "[ . 1 . 2]" 1
346 1 10 VAL MG2 1 22 HIS H 3.890 3.130 4.650 4.271 4.143 4.403 . 0 0 "[ . 1 . 2]" 1
347 1 11 GLU QB 1 22 HIS H 4.020 2.810 5.230 3.754 3.545 4.052 . 0 0 "[ . 1 . 2]" 1
348 1 11 GLU H 1 22 HIS H 3.240 2.720 3.760 2.894 2.777 2.986 . 0 0 "[ . 1 . 2]" 1
349 1 12 TYR HB3 1 22 HIS H 4.630 3.560 5.700 4.715 4.622 4.829 . 0 0 "[ . 1 . 2]" 1
350 1 20 ASP HA 1 22 HIS H 3.760 2.350 5.170 5.262 5.217 5.303 0.133 20 0 "[ . 1 . 2]" 1
351 1 21 VAL HA 1 22 HIS H 2.330 2.060 2.600 2.020 1.998 2.047 0.062 2 0 "[ . 1 . 2]" 1
352 1 21 VAL HB 1 22 HIS H 5.420 3.220 6.000 3.871 3.840 3.932 . 0 0 "[ . 1 . 2]" 1
353 1 21 VAL MG1 1 22 HIS H 4.190 3.310 5.070 4.441 4.425 4.457 . 0 0 "[ . 1 . 2]" 1
354 1 21 VAL MG2 1 22 HIS H 2.960 2.520 3.400 3.407 3.357 3.426 0.026 6 0 "[ . 1 . 2]" 1
355 1 21 VAL H 1 22 HIS H 4.880 3.100 6.000 4.140 4.120 4.162 . 0 0 "[ . 1 . 2]" 1
356 1 22 HIS H 1 22 HIS HA 3.250 2.720 3.780 2.912 2.905 2.919 . 0 0 "[ . 1 . 2]" 1
357 1 22 HIS H 1 22 HIS QB 2.840 2.440 3.240 3.016 2.972 3.054 . 0 0 "[ . 1 . 2]" 1
358 1 22 HIS H 1 51 TRP HZ2 5.290 3.190 6.000 6.002 5.946 6.036 0.036 2 0 "[ . 1 . 2]" 1
359 1 10 VAL HB 1 23 ASN HA 3.610 2.310 4.910 2.616 2.374 2.790 . 0 0 "[ . 1 . 2]" 1
360 1 10 VAL MG2 1 23 ASN HA 3.720 2.340 5.100 3.929 3.765 4.021 . 0 0 "[ . 1 . 2]" 1
361 1 21 VAL HA 1 23 ASN HA 3.730 . 6.000 6.121 6.081 6.147 0.147 6 0 "[ . 1 . 2]" 1
362 1 21 VAL MG2 1 23 ASN HA 3.450 2.260 4.640 3.992 3.924 4.076 . 0 0 "[ . 1 . 2]" 1
363 1 23 ASN HA 1 46 ILE HB 4.130 2.420 5.840 5.949 5.923 5.980 0.140 19 0 "[ . 1 . 2]" 1
364 1 10 VAL MG2 1 23 ASN HB2 4.140 2.850 5.430 3.945 3.741 4.052 . 0 0 "[ . 1 . 2]" 1
365 1 23 ASN HA 1 23 ASN HB2 2.610 2.270 2.950 2.378 2.358 2.400 . 0 0 "[ . 1 . 2]" 1
366 1 23 ASN HB2 1 46 ILE HB 3.320 2.770 3.870 3.630 3.606 3.662 . 0 0 "[ . 1 . 2]" 1
367 1 23 ASN HB2 1 46 ILE QG 2.560 2.230 2.890 2.166 2.129 2.226 0.101 10 0 "[ . 1 . 2]" 1
368 1 10 VAL MG2 1 23 ASN HB3 4.590 3.540 5.640 5.301 5.128 5.405 . 0 0 "[ . 1 . 2]" 1
369 1 23 ASN HA 1 23 ASN HB3 2.910 2.490 3.330 3.028 3.019 3.039 . 0 0 "[ . 1 . 2]" 1
370 1 23 ASN HB3 1 46 ILE HB 3.800 2.360 5.240 4.312 4.272 4.365 . 0 0 "[ . 1 . 2]" 1
371 1 21 VAL HB 1 23 ASN H 4.740 . 6.000 6.108 6.071 6.142 0.142 6 0 "[ . 1 . 2]" 1
372 1 21 VAL MG2 1 23 ASN H 3.440 . 6.000 3.613 3.567 3.658 . 0 0 "[ . 1 . 2]" 1
373 1 22 HIS HA 1 23 ASN H 2.500 2.190 2.810 2.115 2.086 2.146 0.104 6 0 "[ . 1 . 2]" 1
374 1 22 HIS QB 1 23 ASN H 4.480 2.470 6.000 3.436 3.368 3.490 . 0 0 "[ . 1 . 2]" 1
375 1 22 HIS H 1 23 ASN H 4.530 2.480 6.000 4.279 4.228 4.313 . 0 0 "[ . 1 . 2]" 1
376 1 23 ASN H 1 23 ASN HA 2.550 2.230 2.870 2.879 2.874 2.885 0.015 12 0 "[ . 1 . 2]" 1
377 1 23 ASN H 1 23 ASN HB2 2.910 2.060 3.760 2.834 2.787 2.885 . 0 0 "[ . 1 . 2]" 1
378 1 23 ASN H 1 23 ASN HB3 2.570 . 3.230 2.357 2.292 2.403 . 0 0 "[ . 1 . 2]" 1
379 1 23 ASN H 1 24 GLY H 4.240 3.340 5.140 4.614 4.581 4.641 . 0 0 "[ . 1 . 2]" 1
380 1 23 ASN H 1 46 ILE HB 5.000 2.500 6.000 5.424 5.366 5.468 . 0 0 "[ . 1 . 2]" 1
381 1 23 ASN H 1 46 ILE QG 3.460 2.860 4.060 2.805 2.770 2.838 0.090 6 0 "[ . 1 . 2]" 1
382 1 23 ASN H 1 46 ILE MG 4.510 3.490 5.530 3.915 3.843 3.980 . 0 0 "[ . 1 . 2]" 1
383 1 23 ASN H 1 48 PRO HA 5.520 2.470 6.000 5.988 5.818 6.062 0.062 3 0 "[ . 1 . 2]" 1
384 1 23 ASN H 1 50 GLY HA2 3.840 2.740 4.940 4.747 4.682 4.828 . 0 0 "[ . 1 . 2]" 1
385 1 23 ASN H 1 50 GLY HA3 3.880 3.130 4.630 4.682 4.647 4.706 0.076 19 0 "[ . 1 . 2]" 1
386 1 23 ASN H 1 52 ALA H 4.980 2.500 6.000 5.511 5.377 5.623 . 0 0 "[ . 1 . 2]" 1
387 1 24 GLY HA2 1 48 PRO HB2 4.340 2.460 6.000 6.051 6.010 6.111 0.111 14 0 "[ . 1 . 2]" 1
388 1 9 CYS QB 1 24 GLY HA3 3.930 2.390 5.470 3.457 3.109 3.995 . 0 0 "[ . 1 . 2]" 1
389 1 10 VAL HB 1 24 GLY H 4.580 2.480 6.000 4.596 4.371 4.815 . 0 0 "[ . 1 . 2]" 1
390 1 10 VAL MG2 1 24 GLY H 4.930 3.110 6.000 5.495 5.384 5.649 . 0 0 "[ . 1 . 2]" 1
391 1 23 ASN HA 1 24 GLY H 2.190 . 2.430 2.345 2.271 2.427 . 0 0 "[ . 1 . 2]" 1
392 1 23 ASN HB2 1 24 GLY H 3.190 2.170 4.210 3.869 3.783 3.930 . 0 0 "[ . 1 . 2]" 1
393 1 23 ASN HB3 1 24 GLY H 3.310 2.220 4.400 3.966 3.812 4.065 . 0 0 "[ . 1 . 2]" 1
394 1 24 GLY H 1 24 GLY HA2 3.180 2.670 3.690 2.934 2.901 2.955 . 0 0 "[ . 1 . 2]" 1
395 1 24 GLY H 1 24 GLY HA3 2.700 2.340 3.060 2.604 2.525 2.677 . 0 0 "[ . 1 . 2]" 1
396 1 24 GLY H 1 25 CYS HA 3.240 . 6.000 4.301 4.144 4.482 . 0 0 "[ . 1 . 2]" 1
397 1 24 GLY H 1 25 CYS HB2 5.200 3.170 6.000 3.666 3.449 3.801 . 0 0 "[ . 1 . 2]" 1
398 1 24 GLY H 1 25 CYS HB3 4.060 2.830 5.290 5.177 5.004 5.317 0.027 7 0 "[ . 1 . 2]" 1
399 1 9 CYS H 1 24 GLY H 5.170 2.490 6.000 5.016 4.818 5.370 . 0 0 "[ . 1 . 2]" 1
400 1 25 CYS HA 1 26 ALA HA 3.830 2.360 5.300 4.761 4.241 5.189 . 0 0 "[ . 1 . 2]" 1
401 1 9 CYS QB 1 25 CYS HA 2.780 2.010 3.550 2.742 2.422 3.269 . 0 0 "[ . 1 . 2]" 1
402 1 25 CYS HA 1 25 CYS HB2 2.840 2.440 3.240 2.853 2.791 2.927 . 0 0 "[ . 1 . 2]" 1
403 1 25 CYS HB2 1 26 ALA MB 5.020 3.130 6.000 5.335 4.836 5.565 . 0 0 "[ . 1 . 2]" 1
404 1 7 ALA MB 1 25 CYS HB2 4.240 . 6.000 3.802 3.452 4.175 . 0 0 "[ . 1 . 2]" 1
405 1 9 CYS QB 1 25 CYS HB2 3.140 2.150 4.130 2.128 2.005 2.734 0.145 8 0 "[ . 1 . 2]" 1
406 1 10 VAL MG1 1 25 CYS HB3 4.780 2.500 6.000 5.298 5.073 5.768 . 0 0 "[ . 1 . 2]" 1
407 1 25 CYS HA 1 25 CYS HB3 2.460 2.160 2.760 2.825 2.762 2.871 0.111 11 0 "[ . 1 . 2]" 1
408 1 25 CYS HB3 1 26 ALA MB 3.900 3.140 4.660 4.240 3.527 4.374 . 0 0 "[ . 1 . 2]" 1
409 1 7 ALA MB 1 25 CYS HB3 4.180 2.430 5.930 4.470 4.060 4.923 . 0 0 "[ . 1 . 2]" 1
410 1 10 VAL MG1 1 25 CYS H 4.110 2.420 5.800 4.440 4.085 4.812 . 0 0 "[ . 1 . 2]" 1
411 1 24 GLY HA2 1 25 CYS H 2.920 2.490 3.350 2.993 2.784 3.180 . 0 0 "[ . 1 . 2]" 1
412 1 24 GLY H 1 25 CYS H 2.170 . 2.520 2.201 2.010 2.386 . 0 0 "[ . 1 . 2]" 1
413 1 25 CYS H 1 25 CYS HA 2.360 . 2.780 2.879 2.850 2.903 0.123 6 0 "[ . 1 . 2]" 1
414 1 25 CYS H 1 25 CYS HB2 2.360 2.080 2.640 2.159 2.084 2.232 . 0 0 "[ . 1 . 2]" 1
415 1 25 CYS H 1 25 CYS HB3 3.220 2.700 3.740 3.243 3.134 3.432 . 0 0 "[ . 1 . 2]" 1
416 1 25 CYS H 1 49 GLY H 3.120 2.150 4.090 3.865 3.549 4.124 0.034 5 0 "[ . 1 . 2]" 1
417 1 9 CYS QB 1 25 CYS H 3.190 2.430 3.950 2.450 2.279 2.802 0.151 4 0 "[ . 1 . 2]" 1
418 1 9 CYS H 1 25 CYS H 5.190 3.170 6.000 5.442 5.175 5.744 . 0 0 "[ . 1 . 2]" 1
419 1 26 ALA HA 1 48 PRO HD3 5.880 . 6.000 5.857 5.593 6.051 0.051 2 0 "[ . 1 . 2]" 1
420 1 26 ALA HA 1 48 PRO HG3 4.310 . 6.000 4.052 3.874 4.224 . 0 0 "[ . 1 . 2]" 1
421 1 25 CYS HA 1 26 ALA MB 3.740 3.040 4.440 4.011 3.954 4.075 . 0 0 "[ . 1 . 2]" 1
422 1 26 ALA HA 1 26 ALA MB 2.260 2.010 2.510 2.121 2.113 2.134 . 0 0 "[ . 1 . 2]" 1
423 1 26 ALA MB 1 27 ASP HA 4.100 3.260 4.940 4.158 4.016 4.234 . 0 0 "[ . 1 . 2]" 1
424 1 26 ALA MB 1 48 PRO HB2 5.780 . 6.000 4.839 4.685 5.050 . 0 0 "[ . 1 . 2]" 1
425 1 26 ALA MB 1 48 PRO HB3 3.740 2.690 4.790 3.794 3.536 4.068 . 0 0 "[ . 1 . 2]" 1
426 1 26 ALA MB 1 48 PRO HG2 4.280 2.450 6.000 5.330 5.082 5.482 . 0 0 "[ . 1 . 2]" 1
427 1 25 CYS HB2 1 26 ALA H 3.350 2.790 3.910 3.738 3.044 4.063 0.153 14 0 "[ . 1 . 2]" 1
428 1 25 CYS HB3 1 26 ALA H 2.860 2.450 3.270 3.047 2.373 3.441 0.171 3 0 "[ . 1 . 2]" 1
429 1 26 ALA H 1 26 ALA HA 2.770 2.390 3.150 2.569 2.291 2.887 0.099 3 0 "[ . 1 . 2]" 1
430 1 26 ALA H 1 26 ALA MB 2.640 2.290 2.990 2.704 2.258 3.124 0.134 18 0 "[ . 1 . 2]" 1
431 1 26 ALA HA 1 27 ASP HA 3.910 2.380 5.440 4.453 4.391 4.529 . 0 0 "[ . 1 . 2]" 1
432 1 27 ASP HA 1 27 ASP HB2 2.180 . 2.650 2.402 2.374 2.445 . 0 0 "[ . 1 . 2]" 1
433 1 27 ASP HA 1 29 VAL MG1 3.770 2.350 5.190 4.974 4.727 5.121 . 0 0 "[ . 1 . 2]" 1
434 1 27 ASP HA 1 48 PRO HA 4.350 2.460 6.000 4.656 4.265 5.095 . 0 0 "[ . 1 . 2]" 1
435 1 27 ASP HA 1 48 PRO HD3 3.210 . 4.500 3.647 3.464 4.092 . 0 0 "[ . 1 . 2]" 1
436 1 26 ALA MB 1 27 ASP HB2 6.000 3.170 6.000 5.156 4.948 5.291 . 0 0 "[ . 1 . 2]" 1
437 1 27 ASP HB2 1 29 VAL MG1 3.980 3.190 4.770 4.252 3.945 4.449 . 0 0 "[ . 1 . 2]" 1
438 1 27 ASP HB2 1 48 PRO HB3 5.220 2.490 6.000 5.908 5.709 6.029 0.029 16 0 "[ . 1 . 2]" 1
439 1 25 CYS HB3 1 27 ASP HB3 4.320 2.920 5.720 4.598 4.256 5.009 . 0 0 "[ . 1 . 2]" 1
440 1 26 ALA MB 1 27 ASP HB3 3.390 2.530 4.250 3.799 3.581 3.947 . 0 0 "[ . 1 . 2]" 1
441 1 27 ASP HA 1 27 ASP HB3 2.980 2.540 3.420 2.498 2.454 2.538 0.086 12 0 "[ . 1 . 2]" 1
442 1 27 ASP HB3 1 28 ALA HA 5.840 . 6.000 6.014 5.995 6.030 0.030 16 0 "[ . 1 . 2]" 1
443 1 27 ASP HB3 1 28 ALA MB 6.000 3.090 6.000 5.425 5.347 5.517 . 0 0 "[ . 1 . 2]" 1
444 1 27 ASP HB3 1 29 VAL MG1 4.720 . 6.000 4.830 4.573 5.131 . 0 0 "[ . 1 . 2]" 1
445 1 25 CYS HA 1 27 ASP H 3.630 2.970 4.290 4.129 3.986 4.514 0.224 18 0 "[ . 1 . 2]" 1
446 1 25 CYS HB2 1 27 ASP H 3.360 2.790 3.930 3.674 3.494 3.876 . 0 0 "[ . 1 . 2]" 1
447 1 25 CYS HB3 1 27 ASP H 2.560 2.230 2.890 2.257 2.108 2.395 0.122 18 0 "[ . 1 . 2]" 1
448 1 25 CYS H 1 27 ASP H 3.970 3.180 4.760 4.333 3.710 4.820 0.060 15 0 "[ . 1 . 2]" 1
449 1 26 ALA HA 1 27 ASP H 3.030 2.570 3.490 3.364 3.309 3.495 0.005 18 0 "[ . 1 . 2]" 1
450 1 26 ALA MB 1 27 ASP H 2.830 2.430 3.230 3.143 2.645 3.236 0.006 9 0 "[ . 1 . 2]" 1
451 1 26 ALA H 1 27 ASP H 2.800 2.410 3.190 2.587 2.289 2.803 0.121 18 0 "[ . 1 . 2]" 1
452 1 27 ASP H 1 27 ASP HA 2.760 2.380 3.140 2.936 2.926 2.942 . 0 0 "[ . 1 . 2]" 1
453 1 27 ASP H 1 27 ASP HB2 2.960 2.080 3.840 3.805 3.730 3.839 . 0 0 "[ . 1 . 2]" 1
454 1 27 ASP H 1 27 ASP HB3 2.630 2.280 2.980 3.019 2.963 3.114 0.134 12 0 "[ . 1 . 2]" 1
455 1 27 ASP H 1 29 VAL MG1 3.870 2.750 4.990 4.105 3.917 4.271 . 0 0 "[ . 1 . 2]" 1
456 1 27 ASP H 1 48 PRO HB2 5.200 2.500 6.000 5.339 5.097 5.533 . 0 0 "[ . 1 . 2]" 1
457 1 27 ASP H 1 48 PRO HB3 3.160 2.160 4.160 3.610 3.348 3.792 . 0 0 "[ . 1 . 2]" 1
458 1 23 ASN HB2 1 28 ALA HA 5.730 . 6.000 6.122 6.085 6.191 0.191 16 0 "[ . 1 . 2]" 1
459 1 27 ASP HA 1 28 ALA HA 4.710 2.490 6.000 4.322 4.285 4.356 . 0 0 "[ . 1 . 2]" 1
460 1 28 ALA HA 1 45 VAL MG1 4.300 . 6.000 6.072 6.028 6.136 0.136 8 0 "[ . 1 . 2]" 1
461 1 28 ALA HA 1 45 VAL MG2 3.670 . 5.360 3.538 3.471 3.691 . 0 0 "[ . 1 . 2]" 1
462 1 28 ALA HA 1 46 ILE HB 4.340 . 6.000 5.030 4.904 5.187 . 0 0 "[ . 1 . 2]" 1
463 1 28 ALA HA 1 46 ILE MG 2.980 . 4.090 2.621 2.545 2.713 . 0 0 "[ . 1 . 2]" 1
464 1 28 ALA HA 1 47 GLU HA 2.800 2.020 3.580 3.102 2.978 3.187 . 0 0 "[ . 1 . 2]" 1
465 1 28 ALA HA 1 47 GLU HG2 4.390 2.470 6.000 5.308 5.114 5.510 . 0 0 "[ . 1 . 2]" 1
466 1 28 ALA HA 1 47 GLU HG3 4.730 2.500 6.000 5.999 5.901 6.049 0.049 17 0 "[ . 1 . 2]" 1
467 1 28 ALA HA 1 48 PRO HD2 3.030 . 4.180 3.802 3.577 3.968 . 0 0 "[ . 1 . 2]" 1
468 1 27 ASP HA 1 28 ALA MB 4.060 2.410 5.710 4.027 3.991 4.070 . 0 0 "[ . 1 . 2]" 1
469 1 27 ASP HB2 1 28 ALA MB 3.790 3.070 4.510 4.143 4.064 4.277 . 0 0 "[ . 1 . 2]" 1
470 1 28 ALA HA 1 28 ALA MB 2.420 2.130 2.710 2.134 2.131 2.141 . 0 0 "[ . 1 . 2]" 1
471 1 28 ALA MB 1 29 VAL HA 3.700 3.020 4.380 4.051 4.009 4.139 . 0 0 "[ . 1 . 2]" 1
472 1 28 ALA MB 1 45 VAL MG1 3.870 2.750 4.990 4.155 4.038 4.301 . 0 0 "[ . 1 . 2]" 1
473 1 28 ALA MB 1 47 GLU HA 2.610 2.270 2.950 2.941 2.797 3.010 0.060 2 0 "[ . 1 . 2]" 1
474 1 28 ALA MB 1 47 GLU HB3 4.180 . 6.000 4.661 4.442 4.774 . 0 0 "[ . 1 . 2]" 1
475 1 28 ALA MB 1 48 PRO HD2 2.780 2.200 3.360 3.238 3.035 3.368 0.008 2 0 "[ . 1 . 2]" 1
476 1 28 ALA MB 1 48 PRO HG2 3.570 2.290 4.850 4.354 4.158 4.462 . 0 0 "[ . 1 . 2]" 1
477 1 28 ALA MB 1 48 PRO HG3 3.230 2.190 4.270 3.826 3.617 3.912 . 0 0 "[ . 1 . 2]" 1
478 1 25 CYS HB3 1 28 ALA H 5.650 3.250 6.000 5.958 5.736 6.122 0.122 2 0 "[ . 1 . 2]" 1
479 1 26 ALA MB 1 28 ALA H 5.010 2.500 6.000 6.026 5.873 6.114 0.114 3 0 "[ . 1 . 2]" 1
480 1 27 ASP HA 1 28 ALA H 2.090 . 2.310 2.283 2.226 2.318 0.008 3 0 "[ . 1 . 2]" 1
481 1 27 ASP HB2 1 28 ALA H 2.590 2.250 2.930 2.598 2.473 2.738 . 0 0 "[ . 1 . 2]" 1
482 1 27 ASP HB3 1 28 ALA H 3.910 3.140 4.680 3.892 3.788 3.988 . 0 0 "[ . 1 . 2]" 1
483 1 27 ASP H 1 28 ALA H 3.800 3.080 4.520 4.446 4.419 4.494 . 0 0 "[ . 1 . 2]" 1
484 1 28 ALA H 1 28 ALA HA 2.660 2.310 3.010 2.848 2.822 2.868 . 0 0 "[ . 1 . 2]" 1
485 1 28 ALA H 1 28 ALA MB 2.190 . 2.430 2.234 2.194 2.262 . 0 0 "[ . 1 . 2]" 1
486 1 28 ALA H 1 29 VAL MG1 3.490 2.270 4.710 4.422 4.306 4.521 . 0 0 "[ . 1 . 2]" 1
487 1 28 ALA H 1 48 PRO HA 5.870 3.280 6.000 5.246 5.051 5.449 . 0 0 "[ . 1 . 2]" 1
488 1 28 ALA H 1 48 PRO HB2 5.230 3.180 6.000 5.934 5.850 6.019 0.019 7 0 "[ . 1 . 2]" 1
489 1 28 ALA H 1 48 PRO HD2 4.070 3.240 4.900 4.345 4.119 4.571 . 0 0 "[ . 1 . 2]" 1
490 1 28 ALA H 1 48 PRO HD3 3.030 2.570 3.490 2.941 2.782 3.172 . 0 0 "[ . 1 . 2]" 1
491 1 28 ALA H 1 48 PRO HG2 4.550 3.510 5.590 4.410 4.212 4.573 . 0 0 "[ . 1 . 2]" 1
492 1 28 ALA H 1 48 PRO HG3 3.530 2.910 4.150 3.087 2.962 3.184 . 0 0 "[ . 1 . 2]" 1
493 1 27 ASP HB2 1 29 VAL HA 3.930 . 6.000 5.945 5.589 6.057 0.057 17 0 "[ . 1 . 2]" 1
494 1 29 VAL HA 1 29 VAL HB 2.440 2.140 2.740 2.451 2.434 2.471 . 0 0 "[ . 1 . 2]" 1
495 1 29 VAL HB 1 30 SER HB3 4.600 . 6.000 6.116 6.087 6.145 0.145 16 0 "[ . 1 . 2]" 1
496 1 29 VAL HB 1 69 THR MG 3.010 . 4.140 3.394 3.181 3.592 . 0 0 "[ . 1 . 2]" 1
497 1 25 CYS HB2 1 29 VAL MG1 3.090 2.610 3.570 3.446 3.078 3.609 0.039 6 0 "[ . 1 . 2]" 1
498 1 25 CYS HB3 1 29 VAL MG1 3.260 2.730 3.790 3.404 2.991 3.775 . 0 0 "[ . 1 . 2]" 1
499 1 28 ALA HA 1 29 VAL MG1 3.050 2.120 3.980 3.826 3.728 3.889 . 0 0 "[ . 1 . 2]" 1
500 1 29 VAL HA 1 29 VAL MG1 2.430 2.130 2.730 2.354 2.321 2.387 . 0 0 "[ . 1 . 2]" 1
501 1 29 VAL HB 1 29 VAL MG1 2.150 . 2.380 2.130 2.122 2.134 . 0 0 "[ . 1 . 2]" 1
502 1 29 VAL MG1 1 69 THR MG 3.110 . 6.000 4.047 3.839 4.196 . 0 0 "[ . 1 . 2]" 1
503 1 7 ALA HA 1 29 VAL MG1 4.610 3.550 5.670 4.081 3.791 4.489 . 0 0 "[ . 1 . 2]" 1
504 1 7 ALA MB 1 29 VAL MG1 2.720 . 3.460 2.025 1.939 2.354 0.041 16 0 "[ . 1 . 2]" 1
505 1 9 CYS H 1 29 VAL MG1 2.360 . 6.000 4.891 4.594 5.216 . 0 0 "[ . 1 . 2]" 1
506 1 29 VAL HA 1 29 VAL MG2 2.780 2.390 3.170 3.206 3.200 3.213 0.043 7 0 "[ . 1 . 2]" 1
507 1 29 VAL HB 1 29 VAL MG2 2.010 . 2.410 2.127 2.124 2.131 . 0 0 "[ . 1 . 2]" 1
508 1 29 VAL MG2 1 31 VAL HA 4.110 2.420 5.800 4.770 4.660 4.935 . 0 0 "[ . 1 . 2]" 1
509 1 29 VAL MG2 1 69 THR MG 3.420 2.250 4.590 3.991 3.770 4.312 . 0 0 "[ . 1 . 2]" 1
510 1 27 ASP HB2 1 29 VAL H 4.600 2.480 6.000 5.960 5.784 6.018 0.018 15 0 "[ . 1 . 2]" 1
511 1 27 ASP H 1 29 VAL H 4.540 2.480 6.000 5.947 5.789 6.093 0.093 18 0 "[ . 1 . 2]" 1
512 1 28 ALA HA 1 29 VAL H 2.130 . 2.360 2.140 2.125 2.166 . 0 0 "[ . 1 . 2]" 1
513 1 28 ALA MB 1 29 VAL H 2.860 2.040 3.680 3.151 3.049 3.257 . 0 0 "[ . 1 . 2]" 1
514 1 28 ALA H 1 29 VAL H 4.100 2.840 5.360 4.508 4.464 4.535 . 0 0 "[ . 1 . 2]" 1
515 1 29 VAL H 1 29 VAL HA 2.700 2.330 3.070 2.938 2.930 2.945 . 0 0 "[ . 1 . 2]" 1
516 1 29 VAL H 1 29 VAL HB 3.330 2.220 4.440 3.845 3.823 3.879 . 0 0 "[ . 1 . 2]" 1
517 1 29 VAL H 1 29 VAL MG1 3.050 2.580 3.520 2.968 2.880 3.074 . 0 0 "[ . 1 . 2]" 1
518 1 29 VAL H 1 29 VAL MG2 2.580 2.250 2.910 2.239 2.204 2.286 0.046 16 0 "[ . 1 . 2]" 1
519 1 29 VAL H 1 30 SER HA 4.700 2.490 6.000 4.842 4.772 4.939 . 0 0 "[ . 1 . 2]" 1
520 1 29 VAL H 1 46 ILE HB 3.440 2.260 4.620 3.542 3.415 3.645 . 0 0 "[ . 1 . 2]" 1
521 1 29 VAL H 1 47 GLU HA 3.830 3.100 4.560 4.563 4.421 4.639 0.079 10 0 "[ . 1 . 2]" 1
522 1 29 VAL H 1 48 PRO HD2 5.870 2.420 6.000 5.760 5.523 5.923 . 0 0 "[ . 1 . 2]" 1
523 1 29 VAL H 1 48 PRO HD3 4.460 2.970 5.950 4.254 3.943 4.440 . 0 0 "[ . 1 . 2]" 1
524 1 7 ALA MB 1 29 VAL H 5.210 2.490 6.000 5.052 4.928 5.319 . 0 0 "[ . 1 . 2]" 1
525 1 29 VAL HA 1 30 SER HA 3.750 3.050 4.450 4.309 4.287 4.334 . 0 0 "[ . 1 . 2]" 1
526 1 29 VAL MG2 1 30 SER HA 4.040 3.220 4.860 4.182 4.090 4.266 . 0 0 "[ . 1 . 2]" 1
527 1 30 SER HA 1 30 SER HB2 3.470 2.870 4.070 3.016 3.001 3.024 . 0 0 "[ . 1 . 2]" 1
528 1 30 SER HA 1 30 SER HB3 2.430 2.140 2.720 2.372 2.333 2.403 . 0 0 "[ . 1 . 2]" 1
529 1 30 SER HA 1 31 VAL HA 3.370 2.240 4.500 4.329 4.303 4.349 . 0 0 "[ . 1 . 2]" 1
530 1 30 SER HA 1 44 ARG H 4.230 2.890 5.570 4.086 3.925 4.225 . 0 0 "[ . 1 . 2]" 1
531 1 30 SER HA 1 45 VAL HA 1.820 . 2.200 1.589 1.503 1.678 0.067 1 0 "[ . 1 . 2]" 1
532 1 30 SER HA 1 45 VAL HB 3.440 2.550 4.330 3.021 2.856 3.180 . 0 0 "[ . 1 . 2]" 1
533 1 30 SER HA 1 45 VAL MG1 4.020 3.210 4.830 4.124 4.050 4.186 . 0 0 "[ . 1 . 2]" 1
534 1 30 SER HA 1 45 VAL H 4.340 2.930 5.750 3.927 3.792 4.061 . 0 0 "[ . 1 . 2]" 1
535 1 30 SER HA 1 46 ILE MD 4.940 3.110 6.000 5.130 5.035 5.216 . 0 0 "[ . 1 . 2]" 1
536 1 30 SER HA 1 46 ILE MG 4.600 3.010 6.000 4.921 4.836 5.064 . 0 0 "[ . 1 . 2]" 1
537 1 30 SER HA 1 46 ILE H 3.930 3.160 4.700 3.040 2.987 3.097 0.173 2 0 "[ . 1 . 2]" 1
538 1 30 SER HA 1 52 ALA MB 5.060 3.140 6.000 6.097 6.046 6.188 0.188 2 0 "[ . 1 . 2]" 1
539 1 30 SER HB2 1 45 VAL HA 4.790 2.490 6.000 4.388 4.292 4.481 . 0 0 "[ . 1 . 2]" 1
540 1 30 SER HB2 1 45 VAL HB 3.960 2.390 5.530 4.430 4.277 4.528 . 0 0 "[ . 1 . 2]" 1
541 1 30 SER HB2 1 45 VAL MG1 4.050 2.410 5.690 5.495 5.403 5.610 . 0 0 "[ . 1 . 2]" 1
542 1 30 SER HB2 1 45 VAL MG2 5.480 . 6.000 5.131 4.820 5.362 . 0 0 "[ . 1 . 2]" 1
543 1 30 SER HB3 1 31 VAL H 3.750 3.050 4.450 3.471 3.358 3.548 . 0 0 "[ . 1 . 2]" 1
544 1 30 SER HB3 1 45 VAL HA 3.660 2.990 4.330 3.436 3.317 3.611 . 0 0 "[ . 1 . 2]" 1
545 1 30 SER HB3 1 45 VAL HB 3.170 2.670 3.670 3.478 3.156 3.694 0.024 5 0 "[ . 1 . 2]" 1
546 1 30 SER HB3 1 45 VAL MG1 3.220 2.180 4.260 4.343 4.316 4.372 0.112 1 0 "[ . 1 . 2]" 1
547 1 30 SER HB3 1 45 VAL MG2 4.530 2.990 6.000 4.689 4.290 4.966 . 0 0 "[ . 1 . 2]" 1
548 1 30 SER HB3 1 71 ASP HA 3.860 2.740 4.980 4.254 3.652 4.758 . 0 0 "[ . 1 . 2]" 1
549 1 29 VAL HA 1 30 SER H 2.060 . 2.270 2.177 2.128 2.226 . 0 0 "[ . 1 . 2]" 1
550 1 29 VAL HB 1 30 SER H 2.710 2.340 3.080 2.848 2.682 2.942 . 0 0 "[ . 1 . 2]" 1
551 1 29 VAL MG1 1 30 SER H 3.840 3.100 4.580 3.761 3.713 3.803 . 0 0 "[ . 1 . 2]" 1
552 1 29 VAL MG2 1 30 SER H 3.810 3.080 4.540 3.787 3.635 3.872 . 0 0 "[ . 1 . 2]" 1
553 1 29 VAL H 1 30 SER H 3.550 2.290 4.810 4.403 4.331 4.448 . 0 0 "[ . 1 . 2]" 1
554 1 30 SER H 1 30 SER HA 2.830 2.430 3.230 2.914 2.903 2.933 . 0 0 "[ . 1 . 2]" 1
555 1 30 SER H 1 30 SER HB2 2.730 2.360 3.100 2.603 2.533 2.682 . 0 0 "[ . 1 . 2]" 1
556 1 30 SER H 1 30 SER HB3 3.420 2.840 4.000 3.620 3.586 3.661 . 0 0 "[ . 1 . 2]" 1
557 1 30 SER H 1 69 THR HB 4.380 2.460 6.000 6.059 6.023 6.115 0.115 18 0 "[ . 1 . 2]" 1
558 1 30 SER H 1 69 THR MG 3.750 3.050 4.450 3.826 3.627 3.943 . 0 0 "[ . 1 . 2]" 1
559 1 30 SER H 1 70 CYS HB3 5.150 2.500 6.000 4.730 4.536 5.058 . 0 0 "[ . 1 . 2]" 1
560 1 31 VAL HA 1 31 VAL QG 3.080 2.610 3.550 2.518 2.498 2.542 0.112 3 0 "[ . 1 . 2]" 1
561 1 31 VAL HA 1 69 THR HA 2.960 2.520 3.400 2.492 2.439 2.671 0.081 20 0 "[ . 1 . 2]" 1
562 1 31 VAL HA 1 69 THR HB 4.600 3.010 6.000 5.182 5.113 5.354 . 0 0 "[ . 1 . 2]" 1
563 1 31 VAL HA 1 70 CYS HA 3.490 2.270 4.710 4.824 4.779 4.879 0.169 6 0 "[ . 1 . 2]" 1
564 1 10 VAL MG2 1 31 VAL HB 3.360 2.520 4.200 3.187 2.975 3.328 . 0 0 "[ . 1 . 2]" 1
565 1 30 SER HA 1 31 VAL HB 4.210 2.880 5.540 5.549 5.522 5.570 0.030 2 0 "[ . 1 . 2]" 1
566 1 31 VAL HA 1 31 VAL HB 2.680 2.320 3.040 2.300 2.289 2.315 0.031 9 0 "[ . 1 . 2]" 1
567 1 31 VAL HB 1 67 LEU HB3 4.250 . 6.000 3.950 3.786 4.206 . 0 0 "[ . 1 . 2]" 1
568 1 31 VAL HB 1 69 THR HA 4.850 3.090 6.000 4.017 3.878 4.246 . 0 0 "[ . 1 . 2]" 1
569 1 29 VAL HA 1 31 VAL QG 3.330 . 4.720 4.618 4.579 4.652 . 0 0 "[ . 1 . 2]" 1
570 1 30 SER HB3 1 31 VAL QG 3.700 2.670 4.730 4.588 4.538 4.639 . 0 0 "[ . 1 . 2]" 1
571 1 31 VAL HB 1 31 VAL QG 2.030 . 2.240 1.898 1.893 1.903 . 0 0 "[ . 1 . 2]" 1
572 1 31 VAL H 1 31 VAL QG 2.390 . 2.820 2.131 2.046 2.199 . 0 0 "[ . 1 . 2]" 1
573 1 31 VAL QG 1 44 ARG QB 3.690 . 5.390 2.974 2.633 3.204 . 0 0 "[ . 1 . 2]" 1
574 1 31 VAL QG 1 46 ILE HB 2.670 2.130 3.210 2.543 2.476 2.589 . 0 0 "[ . 1 . 2]" 1
575 1 31 VAL QG 1 54 PHE QD 3.270 2.470 4.070 4.165 4.137 4.191 0.121 15 0 "[ . 1 . 2]" 1
576 1 31 VAL QG 1 67 LEU HB3 4.170 . 6.000 4.195 4.034 4.378 . 0 0 "[ . 1 . 2]" 1
577 1 31 VAL QG 1 69 THR HA 3.400 2.820 3.980 3.761 3.599 3.880 . 0 0 "[ . 1 . 2]" 1
578 1 29 VAL HA 1 31 VAL MG1 3.400 2.250 4.550 4.690 4.647 4.723 0.173 15 0 "[ . 1 . 2]" 1
579 1 31 VAL HA 1 31 VAL MG1 2.520 . 3.160 2.640 2.609 2.676 . 0 0 "[ . 1 . 2]" 1
580 1 31 VAL HB 1 31 VAL MG1 1.890 . 2.250 2.126 2.118 2.132 . 0 0 "[ . 1 . 2]" 1
581 1 31 VAL MG1 1 33 VAL MG1 4.560 2.480 6.000 5.589 5.508 5.669 . 0 0 "[ . 1 . 2]" 1
582 1 31 VAL MG1 1 46 ILE HB 2.290 2.030 2.550 2.581 2.507 2.627 0.077 14 0 "[ . 1 . 2]" 1
583 1 31 VAL MG1 1 67 LEU HB3 3.800 2.360 5.240 4.915 4.807 5.063 . 0 0 "[ . 1 . 2]" 1
584 1 31 VAL MG1 1 67 LEU MD1 3.580 2.300 4.860 4.162 4.053 4.233 . 0 0 "[ . 1 . 2]" 1
585 1 31 VAL MG1 1 67 LEU MD2 3.230 2.190 4.270 3.241 3.183 3.291 . 0 0 "[ . 1 . 2]" 1
586 1 31 VAL MG1 1 69 THR HA 3.040 2.120 3.960 3.874 3.681 4.003 0.043 6 0 "[ . 1 . 2]" 1
587 1 7 ALA MB 1 31 VAL MG1 3.790 . 6.000 3.420 3.313 3.522 . 0 0 "[ . 1 . 2]" 1
588 1 31 VAL HA 1 31 VAL MG2 3.120 2.150 4.090 3.179 3.165 3.194 . 0 0 "[ . 1 . 2]" 1
589 1 31 VAL HB 1 31 VAL MG2 1.970 . 2.360 2.136 2.130 2.141 . 0 0 "[ . 1 . 2]" 1
590 1 31 VAL MG2 1 33 VAL MG1 4.040 2.410 5.670 3.669 3.540 3.779 . 0 0 "[ . 1 . 2]" 1
591 1 31 VAL MG2 1 54 PHE QD 3.610 2.960 4.260 4.222 4.190 4.253 . 0 0 "[ . 1 . 2]" 1
592 1 31 VAL MG2 1 67 LEU MD1 3.390 2.240 4.540 3.620 3.444 3.784 . 0 0 "[ . 1 . 2]" 1
593 1 31 VAL MG2 1 67 LEU MD2 2.550 . 3.200 2.174 2.034 2.273 . 0 0 "[ . 1 . 2]" 1
594 1 30 SER HA 1 31 VAL H 2.200 . 2.440 2.090 2.060 2.118 . 0 0 "[ . 1 . 2]" 1
595 1 30 SER HB2 1 31 VAL H 4.510 3.490 5.530 4.164 4.062 4.249 . 0 0 "[ . 1 . 2]" 1
596 1 30 SER H 1 31 VAL H 5.130 3.160 6.000 4.388 4.323 4.442 . 0 0 "[ . 1 . 2]" 1
597 1 31 VAL H 1 31 VAL HA 3.120 2.630 3.610 2.931 2.921 2.936 . 0 0 "[ . 1 . 2]" 1
598 1 31 VAL H 1 31 VAL HB 3.830 3.100 4.560 3.782 3.720 3.819 . 0 0 "[ . 1 . 2]" 1
599 1 31 VAL H 1 32 THR HB 4.860 2.500 6.000 5.870 5.593 6.016 0.016 14 0 "[ . 1 . 2]" 1
600 1 31 VAL H 1 32 THR H 3.810 3.090 4.530 4.416 4.377 4.442 . 0 0 "[ . 1 . 2]" 1
601 1 31 VAL H 1 44 ARG QB 3.480 . 6.000 3.894 3.709 4.062 . 0 0 "[ . 1 . 2]" 1
602 1 31 VAL H 1 45 VAL HA 2.990 2.100 3.880 2.904 2.735 3.082 . 0 0 "[ . 1 . 2]" 1
603 1 31 VAL H 1 46 ILE MD 3.510 2.890 4.130 4.295 4.267 4.325 0.195 2 0 "[ . 1 . 2]" 1
604 1 31 VAL H 1 46 ILE QG 4.360 2.460 6.000 5.970 5.883 6.016 0.016 8 0 "[ . 1 . 2]" 1
605 1 7 ALA MB 1 31 VAL H 4.790 . 6.000 6.164 6.103 6.233 0.233 6 0 "[ . 1 . 2]" 1
606 1 31 VAL H 1 70 CYS HA 5.110 2.500 6.000 6.132 6.064 6.216 0.216 5 0 "[ . 1 . 2]" 1
607 1 32 THR HA 1 32 THR HB 2.450 . 3.050 2.265 2.244 2.329 . 0 0 "[ . 1 . 2]" 1
608 1 32 THR HB 1 43 CYS HA 2.290 . 2.950 2.392 2.121 2.837 . 0 0 "[ . 1 . 2]" 1
609 1 32 THR HA 1 32 THR MG 2.920 2.280 3.560 3.108 3.054 3.187 . 0 0 "[ . 1 . 2]" 1
610 1 32 THR HB 1 32 THR MG 2.320 2.050 2.590 2.126 2.123 2.131 . 0 0 "[ . 1 . 2]" 1
611 1 30 SER HA 1 32 THR H 5.040 . 6.000 6.149 6.093 6.221 0.221 17 0 "[ . 1 . 2]" 1
612 1 31 VAL HA 1 32 THR H 2.370 2.090 2.650 2.239 2.164 2.349 . 0 0 "[ . 1 . 2]" 1
613 1 31 VAL HB 1 32 THR H 2.850 2.440 3.260 2.800 2.511 3.028 . 0 0 "[ . 1 . 2]" 1
614 1 31 VAL QG 1 32 THR H 3.300 2.760 3.840 2.963 2.748 3.135 0.012 10 0 "[ . 1 . 2]" 1
615 1 32 THR H 1 32 THR HA 2.590 2.260 2.920 2.925 2.895 2.940 0.020 13 0 "[ . 1 . 2]" 1
616 1 32 THR H 1 32 THR HB 3.540 2.910 4.170 3.654 3.577 3.739 . 0 0 "[ . 1 . 2]" 1
617 1 32 THR H 1 32 THR MG 3.210 2.180 4.240 2.215 2.120 2.383 0.060 13 0 "[ . 1 . 2]" 1
618 1 32 THR H 1 33 VAL H 3.880 2.370 5.390 4.427 4.375 4.477 . 0 0 "[ . 1 . 2]" 1
619 1 6 VAL QG 1 32 THR H 2.610 2.530 3.290 2.825 2.633 3.017 . 0 0 "[ . 1 . 2]" 1
620 1 32 THR H 1 67 LEU HA 3.930 2.770 5.090 4.380 4.127 4.585 . 0 0 "[ . 1 . 2]" 1
621 1 32 THR H 1 67 LEU HB3 4.360 2.460 6.000 4.614 4.277 4.802 . 0 0 "[ . 1 . 2]" 1
622 1 32 THR H 1 67 LEU MD2 3.720 2.330 5.110 2.977 2.707 3.203 . 0 0 "[ . 1 . 2]" 1
623 1 32 THR H 1 68 HIS HA 4.070 3.240 4.900 4.620 4.533 4.671 . 0 0 "[ . 1 . 2]" 1
624 1 32 THR H 1 68 HIS HB2 3.560 2.930 4.190 3.779 3.576 4.170 . 0 0 "[ . 1 . 2]" 1
625 1 32 THR H 1 68 HIS HB3 5.780 3.270 6.000 4.327 4.070 4.595 . 0 0 "[ . 1 . 2]" 1
626 1 32 THR H 1 68 HIS H 2.770 2.390 3.150 2.703 2.427 2.880 . 0 0 "[ . 1 . 2]" 1
627 1 32 THR H 1 69 THR HA 3.380 2.240 4.520 3.518 3.335 3.869 . 0 0 "[ . 1 . 2]" 1
628 1 32 THR H 1 70 CYS HA 3.880 2.370 5.390 5.054 4.724 5.386 . 0 0 "[ . 1 . 2]" 1
629 1 33 VAL HA 1 67 LEU HA 2.210 . 2.820 2.333 2.242 2.416 . 0 0 "[ . 1 . 2]" 1
630 1 33 VAL HA 1 67 LEU HB3 4.840 . 6.000 4.923 4.787 5.015 . 0 0 "[ . 1 . 2]" 1
631 1 33 VAL HA 1 67 LEU MD1 6.000 . 6.000 5.099 5.016 5.155 . 0 0 "[ . 1 . 2]" 1
632 1 12 TYR QD 1 33 VAL HB 4.360 3.410 5.310 5.227 4.887 5.340 0.030 2 0 "[ . 1 . 2]" 1
633 1 12 TYR QE 1 33 VAL HB 4.530 2.990 6.000 5.231 4.920 5.578 . 0 0 "[ . 1 . 2]" 1
634 1 33 VAL HA 1 33 VAL HB 2.760 2.380 3.140 2.777 2.763 2.794 . 0 0 "[ . 1 . 2]" 1
635 1 33 VAL HB 1 64 VAL HB 2.170 . 2.400 2.458 2.403 2.511 0.111 10 0 "[ . 1 . 2]" 1
636 1 33 VAL HB 1 64 VAL MG1 3.000 2.100 3.900 3.699 3.566 3.806 . 0 0 "[ . 1 . 2]" 1
637 1 33 VAL HB 1 64 VAL MG2 3.790 2.710 4.870 3.466 3.309 3.522 . 0 0 "[ . 1 . 2]" 1
638 1 33 VAL HB 1 67 LEU MD2 3.950 2.780 5.120 4.437 4.404 4.493 . 0 0 "[ . 1 . 2]" 1
639 1 19 THR HB 1 33 VAL MG1 4.410 2.950 5.870 4.444 4.238 4.671 . 0 0 "[ . 1 . 2]" 1
640 1 19 THR MG 1 33 VAL MG1 2.910 2.490 3.330 2.709 2.477 2.948 0.013 16 0 "[ . 1 . 2]" 1
641 1 31 VAL QG 1 33 VAL MG1 4.410 2.950 5.870 3.622 3.501 3.721 . 0 0 "[ . 1 . 2]" 1
642 1 32 THR HA 1 33 VAL MG1 4.490 2.470 6.000 4.486 4.420 4.569 . 0 0 "[ . 1 . 2]" 1
643 1 33 VAL HA 1 33 VAL MG1 2.560 2.070 3.050 2.145 2.125 2.159 . 0 0 "[ . 1 . 2]" 1
644 1 33 VAL HB 1 33 VAL MG1 2.410 . 2.850 2.121 2.116 2.124 . 0 0 "[ . 1 . 2]" 1
645 1 33 VAL H 1 33 VAL MG1 4.540 3.000 6.000 3.720 3.703 3.739 . 0 0 "[ . 1 . 2]" 1
646 1 33 VAL MG1 1 54 PHE HB3 4.180 2.870 5.490 3.694 3.629 3.814 . 0 0 "[ . 1 . 2]" 1
647 1 33 VAL MG1 1 54 PHE QD 3.570 2.610 4.530 3.026 2.832 3.177 . 0 0 "[ . 1 . 2]" 1
648 1 33 VAL MG1 1 64 VAL HA 4.010 2.800 5.220 4.088 3.967 4.312 . 0 0 "[ . 1 . 2]" 1
649 1 33 VAL MG1 1 64 VAL HB 3.210 2.440 3.980 2.538 2.431 2.746 0.009 12 0 "[ . 1 . 2]" 1
650 1 33 VAL MG1 1 64 VAL MG1 2.800 2.210 3.390 3.097 2.994 3.213 . 0 0 "[ . 1 . 2]" 1
651 1 33 VAL MG1 1 64 VAL MG2 2.400 2.110 2.690 2.060 2.042 2.077 0.068 9 0 "[ . 1 . 2]" 1
652 1 33 VAL MG1 1 67 LEU MD1 3.240 2.710 3.770 3.226 3.121 3.293 . 0 0 "[ . 1 . 2]" 1
653 1 33 VAL MG1 1 67 LEU MD2 2.510 . 3.140 1.881 1.843 1.939 0.037 2 0 "[ . 1 . 2]" 1
654 1 19 THR HB 1 33 VAL MG2 4.710 3.050 6.000 4.771 4.673 4.890 . 0 0 "[ . 1 . 2]" 1
655 1 31 VAL QG 1 33 VAL MG2 3.740 2.340 5.140 3.264 3.234 3.323 . 0 0 "[ . 1 . 2]" 1
656 1 31 VAL MG2 1 33 VAL MG2 2.790 2.400 3.180 3.285 3.254 3.346 0.166 3 0 "[ . 1 . 2]" 1
657 1 32 THR HA 1 33 VAL MG2 3.590 2.620 4.560 2.989 2.914 3.048 . 0 0 "[ . 1 . 2]" 1
658 1 33 VAL HA 1 33 VAL MG2 3.570 2.930 4.210 3.024 2.998 3.046 . 0 0 "[ . 1 . 2]" 1
659 1 33 VAL HB 1 33 VAL MG2 2.550 2.060 3.040 2.125 2.120 2.131 . 0 0 "[ . 1 . 2]" 1
660 1 33 VAL MG1 1 33 VAL MG2 1.980 . 2.200 2.070 2.054 2.079 . 0 0 "[ . 1 . 2]" 1
661 1 33 VAL H 1 33 VAL MG2 2.900 2.270 3.530 2.195 2.165 2.211 0.105 4 0 "[ . 1 . 2]" 1
662 1 33 VAL MG2 1 35 TYR QD 5.270 3.190 6.000 4.545 4.420 4.688 . 0 0 "[ . 1 . 2]" 1
663 1 33 VAL MG2 1 54 PHE HA 5.270 . 6.000 4.217 4.155 4.268 . 0 0 "[ . 1 . 2]" 1
664 1 33 VAL MG2 1 54 PHE HB2 3.550 2.610 4.490 3.073 3.020 3.149 . 0 0 "[ . 1 . 2]" 1
665 1 33 VAL MG2 1 54 PHE HB3 3.360 2.510 4.210 2.535 2.501 2.598 0.009 11 0 "[ . 1 . 2]" 1
666 1 33 VAL MG2 1 64 VAL HB 3.950 3.170 4.730 3.642 3.534 3.737 . 0 0 "[ . 1 . 2]" 1
667 1 33 VAL MG2 1 64 VAL MG1 4.010 2.800 5.220 3.716 3.633 3.849 . 0 0 "[ . 1 . 2]" 1
668 1 33 VAL MG2 1 64 VAL MG2 3.330 2.780 3.880 3.863 3.806 3.918 0.038 2 0 "[ . 1 . 2]" 1
669 1 33 VAL MG2 1 67 LEU MD2 2.570 2.240 2.900 2.958 2.908 3.011 0.111 16 0 "[ . 1 . 2]" 1
670 1 32 THR HA 1 33 VAL H 2.910 2.490 3.330 2.448 2.397 2.490 0.093 4 0 "[ . 1 . 2]" 1
671 1 32 THR HB 1 33 VAL H 4.190 3.310 5.070 3.385 3.254 3.701 0.056 15 0 "[ . 1 . 2]" 1
672 1 33 VAL H 1 33 VAL HA 3.150 2.410 3.890 2.922 2.911 2.933 . 0 0 "[ . 1 . 2]" 1
673 1 33 VAL H 1 33 VAL HB 3.700 3.010 4.390 3.539 3.484 3.573 . 0 0 "[ . 1 . 2]" 1
674 1 33 VAL H 1 35 TYR QE 4.290 2.450 6.000 4.671 4.340 5.099 . 0 0 "[ . 1 . 2]" 1
675 1 33 VAL H 1 41 ALA MB 3.320 2.220 4.420 4.532 4.456 4.608 0.188 3 0 "[ . 1 . 2]" 1
676 1 33 VAL H 1 41 ALA H 4.910 2.500 6.000 5.878 5.521 6.086 0.086 7 0 "[ . 1 . 2]" 1
677 1 33 VAL H 1 42 PRO HA 2.770 . 6.000 1.631 1.470 1.736 . 0 0 "[ . 1 . 2]" 1
678 1 33 VAL H 1 42 PRO HB2 4.680 3.580 5.780 3.663 3.511 4.021 0.069 7 0 "[ . 1 . 2]" 1
679 1 33 VAL H 1 42 PRO HB3 3.860 2.370 5.350 2.513 2.260 3.158 0.110 16 0 "[ . 1 . 2]" 1
680 1 33 VAL H 1 54 PHE HB3 5.430 2.480 6.000 6.100 6.064 6.169 0.169 20 0 "[ . 1 . 2]" 1
681 1 33 VAL H 1 54 PHE QE 4.100 2.420 5.780 4.887 4.744 5.045 . 0 0 "[ . 1 . 2]" 1
682 1 33 VAL H 1 67 LEU HA 4.140 2.430 5.850 4.822 4.731 4.919 . 0 0 "[ . 1 . 2]" 1
683 1 33 VAL H 1 68 HIS HB3 5.160 . 6.000 6.170 6.118 6.241 0.241 5 0 "[ . 1 . 2]" 1
684 1 34 GLU HA 1 34 GLU HB2 3.030 2.110 3.950 2.526 2.414 2.780 . 0 0 "[ . 1 . 2]" 1
685 1 34 GLU HA 1 34 GLU HB3 3.450 2.260 4.640 3.007 2.921 3.022 . 0 0 "[ . 1 . 2]" 1
686 1 34 GLU HA 1 42 PRO HB3 3.160 2.160 4.160 3.861 3.619 4.033 . 0 0 "[ . 1 . 2]" 1
687 1 34 GLU HB2 1 42 PRO HB3 3.150 . 6.000 4.917 4.746 5.165 . 0 0 "[ . 1 . 2]" 1
688 1 34 GLU HB3 1 42 PRO HB3 4.580 . 6.000 6.175 6.101 6.267 0.267 11 0 "[ . 1 . 2]" 1
689 1 33 VAL HA 1 34 GLU H 2.570 2.240 2.900 2.142 2.089 2.197 0.151 2 0 "[ . 1 . 2]" 1
690 1 33 VAL HB 1 34 GLU H 3.500 2.890 4.110 3.167 2.981 3.330 . 0 0 "[ . 1 . 2]" 1
691 1 33 VAL MG1 1 34 GLU H 3.380 2.810 3.950 2.917 2.784 3.100 0.026 11 0 "[ . 1 . 2]" 1
692 1 33 VAL MG2 1 34 GLU H 5.180 3.170 6.000 4.243 4.154 4.309 . 0 0 "[ . 1 . 2]" 1
693 1 33 VAL H 1 34 GLU H 4.070 2.410 5.730 4.310 4.207 4.367 . 0 0 "[ . 1 . 2]" 1
694 1 34 GLU H 1 34 GLU HB2 3.320 2.770 3.870 2.746 2.577 2.923 0.193 20 0 "[ . 1 . 2]" 1
695 1 34 GLU H 1 34 GLU HB3 2.740 2.360 3.120 2.547 2.311 3.145 0.049 11 0 "[ . 1 . 2]" 1
696 1 34 GLU H 1 35 TYR HA 3.490 . 6.000 4.852 4.670 4.975 . 0 0 "[ . 1 . 2]" 1
697 1 34 GLU H 1 42 PRO HB3 3.790 2.360 5.220 4.966 4.757 5.278 0.058 19 0 "[ . 1 . 2]" 1
698 1 34 GLU H 1 64 VAL HB 3.630 2.320 4.940 4.177 3.927 4.406 . 0 0 "[ . 1 . 2]" 1
699 1 34 GLU H 1 64 VAL MG1 4.730 2.490 6.000 5.547 5.341 5.742 . 0 0 "[ . 1 . 2]" 1
700 1 34 GLU H 1 64 VAL MG2 4.180 3.300 5.060 4.110 3.925 4.241 . 0 0 "[ . 1 . 2]" 1
701 1 34 GLU H 1 65 THR HA 4.780 3.070 6.000 6.062 6.013 6.116 0.116 4 0 "[ . 1 . 2]" 1
702 1 34 GLU H 1 66 GLY HA2 4.140 2.850 5.430 4.586 4.407 4.764 . 0 0 "[ . 1 . 2]" 1
703 1 34 GLU H 1 67 LEU HA 3.550 2.920 4.180 3.557 3.460 3.730 . 0 0 "[ . 1 . 2]" 1
704 1 34 GLU H 1 67 LEU MD1 5.800 . 6.000 6.154 6.057 6.222 0.222 4 0 "[ . 1 . 2]" 1
705 1 34 GLU H 1 68 HIS HD2 3.720 2.340 5.100 4.115 3.182 5.155 0.055 4 0 "[ . 1 . 2]" 1
706 1 34 GLU H 1 68 HIS H 4.770 2.490 6.000 4.774 4.387 5.168 . 0 0 "[ . 1 . 2]" 1
707 1 35 TYR HA 1 35 TYR HB3 3.050 2.120 3.980 2.393 2.367 2.427 . 0 0 "[ . 1 . 2]" 1
708 1 35 TYR HA 1 65 THR MG 4.040 2.410 5.670 3.533 3.155 3.859 . 0 0 "[ . 1 . 2]" 1
709 1 35 TYR HA 1 35 TYR HB2 3.580 2.940 4.220 3.029 3.021 3.035 . 0 0 "[ . 1 . 2]" 1
710 1 35 TYR HB2 1 39 GLN QB 3.770 2.350 5.190 3.964 3.492 5.009 . 0 0 "[ . 1 . 2]" 1
711 1 35 TYR HB3 1 36 THR HA 4.650 2.480 6.000 4.795 4.687 4.896 . 0 0 "[ . 1 . 2]" 1
712 1 35 TYR HB3 1 64 VAL MG1 4.840 2.500 6.000 4.366 4.206 4.537 . 0 0 "[ . 1 . 2]" 1
713 1 19 THR HB 1 35 TYR QD 5.220 3.180 6.000 5.858 5.679 6.022 0.022 20 0 "[ . 1 . 2]" 1
714 1 33 VAL HB 1 35 TYR QD 4.280 2.910 5.650 4.308 4.183 4.437 . 0 0 "[ . 1 . 2]" 1
715 1 33 VAL MG1 1 35 TYR QD 4.100 3.260 4.940 5.025 4.970 5.085 0.145 17 0 "[ . 1 . 2]" 1
716 1 35 TYR HA 1 35 TYR QD 3.320 2.770 3.870 3.019 2.882 3.149 . 0 0 "[ . 1 . 2]" 1
717 1 35 TYR HB2 1 35 TYR QD 2.710 2.340 3.080 2.430 2.375 2.485 . 0 0 "[ . 1 . 2]" 1
718 1 35 TYR HB3 1 35 TYR QD 2.550 2.220 2.880 2.344 2.292 2.394 . 0 0 "[ . 1 . 2]" 1
719 1 35 TYR QD 1 36 THR HA 6.000 . 6.000 6.135 6.077 6.191 0.191 8 0 "[ . 1 . 2]" 1
720 1 35 TYR QD 1 36 THR H 3.980 3.190 4.770 3.932 3.776 4.088 . 0 0 "[ . 1 . 2]" 1
721 1 35 TYR QD 1 39 GLN QB 3.520 2.900 4.140 3.472 3.130 4.161 0.021 2 0 "[ . 1 . 2]" 1
722 1 35 TYR QD 1 40 TRP HA 3.980 2.400 5.560 5.479 5.094 5.676 0.116 15 0 "[ . 1 . 2]" 1
723 1 35 TYR QD 1 41 ALA MB 4.590 . 6.000 4.262 4.046 4.574 . 0 0 "[ . 1 . 2]" 1
724 1 35 TYR QD 1 55 ALA MB 3.610 2.960 4.260 3.736 3.542 4.036 . 0 0 "[ . 1 . 2]" 1
725 1 35 TYR QD 1 62 ASN HB2 3.720 3.030 4.410 3.495 2.974 4.434 0.056 13 0 "[ . 1 . 2]" 1
726 1 35 TYR QD 1 63 TYR HB2 4.320 2.920 5.720 5.702 5.442 5.977 0.257 16 0 "[ . 1 . 2]" 1
727 1 35 TYR QD 1 64 VAL HA 3.650 2.980 4.320 2.964 2.909 3.090 0.071 15 0 "[ . 1 . 2]" 1
728 1 35 TYR QD 1 64 VAL MG1 2.980 2.310 3.650 2.316 2.222 2.504 0.088 16 0 "[ . 1 . 2]" 1
729 1 19 THR HB 1 35 TYR QE 4.690 3.040 6.000 4.235 4.066 4.389 . 0 0 "[ . 1 . 2]" 1
730 1 19 THR MG 1 35 TYR QE 5.390 3.210 6.000 4.515 4.306 4.758 . 0 0 "[ . 1 . 2]" 1
731 1 33 VAL HB 1 35 TYR QE 3.630 2.970 4.290 3.730 3.576 3.926 . 0 0 "[ . 1 . 2]" 1
732 1 33 VAL MG1 1 35 TYR QE 3.570 2.610 4.530 4.392 4.281 4.513 . 0 0 "[ . 1 . 2]" 1
733 1 33 VAL MG2 1 35 TYR QE 3.430 2.840 4.020 3.237 3.013 3.484 . 0 0 "[ . 1 . 2]" 1
734 1 34 GLU HA 1 35 TYR QE 5.000 3.130 6.000 4.801 4.446 5.104 . 0 0 "[ . 1 . 2]" 1
735 1 35 TYR HA 1 35 TYR QE 4.180 3.310 5.050 4.779 4.698 4.866 . 0 0 "[ . 1 . 2]" 1
736 1 35 TYR QE 1 39 GLN QB 4.450 2.970 5.930 3.527 3.135 4.116 . 0 0 "[ . 1 . 2]" 1
737 1 35 TYR QE 1 40 TRP HA 4.700 . 6.000 4.686 4.461 4.937 . 0 0 "[ . 1 . 2]" 1
738 1 35 TYR QE 1 54 PHE QE 5.130 2.500 6.000 5.350 5.118 5.571 . 0 0 "[ . 1 . 2]" 1
739 1 35 TYR QE 1 64 VAL HA 4.570 3.000 6.000 4.293 4.160 4.411 . 0 0 "[ . 1 . 2]" 1
740 1 35 TYR QE 1 64 VAL HB 2.790 2.010 3.570 3.454 3.305 3.586 0.016 9 0 "[ . 1 . 2]" 1
741 1 35 TYR QE 1 64 VAL MG2 5.540 3.230 6.000 4.458 4.367 4.547 . 0 0 "[ . 1 . 2]" 1
742 1 34 GLU H 1 35 TYR H 4.440 2.470 6.000 4.310 4.202 4.406 . 0 0 "[ . 1 . 2]" 1
743 1 35 TYR H 1 35 TYR HA 2.980 . 6.000 2.913 2.895 2.934 . 0 0 "[ . 1 . 2]" 1
744 1 35 TYR H 1 35 TYR HB2 2.870 2.040 3.700 2.686 2.575 2.761 . 0 0 "[ . 1 . 2]" 1
745 1 35 TYR H 1 35 TYR HB3 3.510 2.280 4.740 3.708 3.671 3.746 . 0 0 "[ . 1 . 2]" 1
746 1 35 TYR H 1 35 TYR QD 2.510 . 3.140 2.302 2.031 2.514 . 0 0 "[ . 1 . 2]" 1
747 1 35 TYR H 1 35 TYR QE 4.480 2.470 6.000 4.226 4.036 4.393 . 0 0 "[ . 1 . 2]" 1
748 1 35 TYR H 1 36 THR HA 4.580 2.490 6.000 5.661 5.592 5.752 . 0 0 "[ . 1 . 2]" 1
749 1 35 TYR H 1 39 GLN H 4.540 2.480 6.000 4.538 4.128 5.044 . 0 0 "[ . 1 . 2]" 1
750 1 35 TYR H 1 64 VAL MG1 6.000 . 6.000 5.675 5.506 5.859 . 0 0 "[ . 1 . 2]" 1
751 1 35 TYR H 1 65 THR H 4.820 2.500 6.000 4.727 4.618 4.810 . 0 0 "[ . 1 . 2]" 1
752 1 36 THR HA 1 37 HIS HA 4.160 2.430 5.890 4.511 4.423 4.572 . 0 0 "[ . 1 . 2]" 1
753 1 36 THR HA 1 65 THR HB 4.670 . 6.000 5.594 4.770 6.023 0.023 18 0 "[ . 1 . 2]" 1
754 1 36 THR HA 1 36 THR HB 2.680 . 3.580 3.023 3.013 3.035 . 0 0 "[ . 1 . 2]" 1
755 1 36 THR HB 1 57 TYR HB3 6.000 . 6.000 6.039 5.875 6.132 0.132 1 0 "[ . 1 . 2]" 1
756 1 36 THR HB 1 63 TYR HA 3.460 2.260 4.660 4.736 4.559 4.858 0.198 17 0 "[ . 1 . 2]" 1
757 1 36 THR HA 1 36 THR MG 2.990 2.540 3.440 2.500 2.444 2.554 0.096 9 0 "[ . 1 . 2]" 1
758 1 36 THR HB 1 36 THR MG 2.550 2.230 2.870 2.143 2.134 2.150 0.096 16 0 "[ . 1 . 2]" 1
759 1 36 THR H 1 36 THR MG 4.480 3.480 5.480 3.737 3.714 3.754 . 0 0 "[ . 1 . 2]" 1
760 1 36 THR MG 1 37 HIS HA 3.750 3.050 4.450 3.730 3.356 4.051 . 0 0 "[ . 1 . 2]" 1
761 1 36 THR MG 1 37 HIS HB2 4.150 2.860 5.440 4.540 4.086 4.942 . 0 0 "[ . 1 . 2]" 1
762 1 36 THR MG 1 65 THR MG 3.700 . 5.420 4.031 3.679 4.574 . 0 0 "[ . 1 . 2]" 1
763 1 35 TYR HA 1 36 THR H 2.280 . 2.800 2.263 2.188 2.334 . 0 0 "[ . 1 . 2]" 1
764 1 35 TYR HB2 1 36 THR H 3.610 2.960 4.260 3.540 3.463 3.640 . 0 0 "[ . 1 . 2]" 1
765 1 35 TYR HB3 1 36 THR H 3.160 2.410 3.910 2.498 2.406 2.618 0.004 17 0 "[ . 1 . 2]" 1
766 1 35 TYR H 1 36 THR H 4.900 2.500 6.000 4.542 4.519 4.559 . 0 0 "[ . 1 . 2]" 1
767 1 36 THR H 1 36 THR HA 2.860 2.450 3.270 2.698 2.656 2.729 . 0 0 "[ . 1 . 2]" 1
768 1 36 THR H 1 36 THR HB 2.770 2.390 3.150 2.502 2.412 2.616 . 0 0 "[ . 1 . 2]" 1
769 1 36 THR H 1 37 HIS HD2 5.050 2.500 6.000 4.905 4.442 5.658 . 0 0 "[ . 1 . 2]" 1
770 1 36 THR H 1 38 GLY H 4.820 2.500 6.000 5.412 5.036 5.732 . 0 0 "[ . 1 . 2]" 1
771 1 36 THR H 1 65 THR MG 3.600 2.950 4.250 3.183 2.962 3.509 . 0 0 "[ . 1 . 2]" 1
772 1 37 HIS HA 1 37 HIS HB3 3.030 2.110 3.950 2.538 2.434 2.620 . 0 0 "[ . 1 . 2]" 1
773 1 37 HIS HA 1 38 GLY HA2 4.230 2.440 6.000 4.937 4.824 5.065 . 0 0 "[ . 1 . 2]" 1
774 1 37 HIS HA 1 37 HIS HB2 3.370 2.800 3.940 3.014 2.996 3.027 . 0 0 "[ . 1 . 2]" 1
775 1 36 THR HB 1 37 HIS HD2 3.460 2.560 4.360 2.932 2.525 3.651 0.035 3 0 "[ . 1 . 2]" 1
776 1 36 THR MG 1 37 HIS HD2 3.100 2.620 3.580 2.924 2.552 3.340 0.068 19 0 "[ . 1 . 2]" 1
777 1 37 HIS HA 1 37 HIS HD2 3.120 2.150 4.090 4.047 3.672 4.192 0.102 16 0 "[ . 1 . 2]" 1
778 1 37 HIS HB2 1 37 HIS HD2 3.240 2.450 4.030 2.822 2.714 2.977 . 0 0 "[ . 1 . 2]" 1
779 1 37 HIS HB3 1 37 HIS HD2 3.950 3.170 4.730 3.901 3.836 3.957 . 0 0 "[ . 1 . 2]" 1
780 1 37 HIS HD2 1 62 ASN HB2 5.160 3.160 6.000 4.748 4.189 5.232 . 0 0 "[ . 1 . 2]" 1
781 1 35 TYR HB3 1 37 HIS H 3.750 . 6.000 2.812 2.495 3.077 . 0 0 "[ . 1 . 2]" 1
782 1 36 THR HA 1 37 HIS H 3.690 . 6.000 3.523 3.452 3.593 . 0 0 "[ . 1 . 2]" 1
783 1 36 THR HB 1 37 HIS H 3.120 . 6.000 2.933 2.686 3.135 . 0 0 "[ . 1 . 2]" 1
784 1 36 THR MG 1 37 HIS H 4.090 . 6.000 3.578 3.183 3.814 . 0 0 "[ . 1 . 2]" 1
785 1 36 THR H 1 37 HIS H 4.260 . 6.000 2.957 2.844 3.147 . 0 0 "[ . 1 . 2]" 1
786 1 37 HIS H 1 37 HIS HB2 2.900 . 6.000 2.580 2.432 2.836 . 0 0 "[ . 1 . 2]" 1
787 1 37 HIS H 1 37 HIS HD2 3.730 . 6.000 3.279 2.804 3.897 . 0 0 "[ . 1 . 2]" 1
788 1 37 HIS H 1 62 ASN HA 3.540 . 6.000 3.348 2.704 4.736 . 0 0 "[ . 1 . 2]" 1
789 1 37 HIS H 1 62 ASN HB2 5.590 . 6.000 4.540 2.922 5.749 . 0 0 "[ . 1 . 2]" 1
790 1 37 HIS H 1 62 ASN HB3 3.840 . 6.000 3.158 2.029 4.651 . 0 0 "[ . 1 . 2]" 1
791 1 37 HIS H 1 62 ASN HD21 3.900 . 6.000 4.319 2.666 5.714 . 0 0 "[ . 1 . 2]" 1
792 1 35 TYR HA 1 38 GLY H 4.880 2.490 6.000 5.753 5.229 6.073 0.073 14 0 "[ . 1 . 2]" 1
793 1 35 TYR HB3 1 38 GLY H 4.270 2.450 6.000 4.021 3.596 4.382 . 0 0 "[ . 1 . 2]" 1
794 1 37 HIS HA 1 38 GLY H 3.380 2.810 3.950 3.561 3.521 3.588 . 0 0 "[ . 1 . 2]" 1
795 1 37 HIS HB2 1 38 GLY H 3.010 2.100 3.920 2.074 1.976 2.324 0.124 9 0 "[ . 1 . 2]" 1
796 1 37 HIS HB3 1 38 GLY H 3.520 2.280 4.760 2.709 2.443 3.110 . 0 0 "[ . 1 . 2]" 1
797 1 37 HIS H 1 38 GLY H 3.210 2.180 4.240 2.787 2.512 3.018 . 0 0 "[ . 1 . 2]" 1
798 1 38 GLY H 1 38 GLY HA3 3.230 2.710 3.750 2.889 2.842 2.941 . 0 0 "[ . 1 . 2]" 1
799 1 38 GLY H 1 38 GLY HA2 3.110 2.630 3.590 2.699 2.607 2.765 0.023 17 0 "[ . 1 . 2]" 1
800 1 38 GLY H 1 39 GLN HA 4.150 2.430 5.870 4.360 4.060 5.107 . 0 0 "[ . 1 . 2]" 1
801 1 38 GLY H 1 39 GLN QB 4.530 2.480 6.000 4.031 3.540 4.543 . 0 0 "[ . 1 . 2]" 1
802 1 38 GLY H 1 39 GLN HG3 5.240 2.490 6.000 5.355 4.798 6.043 0.043 11 0 "[ . 1 . 2]" 1
803 1 38 GLY H 1 39 GLN H 2.990 2.090 3.890 2.607 2.063 3.929 0.039 15 0 "[ . 1 . 2]" 1
804 1 38 GLY H 1 62 ASN HA 3.910 2.380 5.440 4.761 4.152 5.495 0.055 12 0 "[ . 1 . 2]" 1
805 1 38 GLY H 1 62 ASN HD21 4.160 2.430 5.890 4.078 2.440 4.941 . 0 0 "[ . 1 . 2]" 1
806 1 35 TYR HB3 1 39 GLN QB 4.220 2.890 5.550 4.455 3.800 5.078 . 0 0 "[ . 1 . 2]" 1
807 1 39 GLN HA 1 39 GLN QB 3.040 2.580 3.500 2.488 2.404 2.547 0.176 19 0 "[ . 1 . 2]" 1
808 1 39 GLN QB 1 39 GLN HG2 2.320 2.050 2.590 2.342 2.279 2.399 . 0 0 "[ . 1 . 2]" 1
809 1 39 GLN QB 1 39 GLN HG3 2.150 . 2.380 2.158 2.153 2.164 . 0 0 "[ . 1 . 2]" 1
810 1 39 GLN HA 1 39 GLN HG2 2.980 2.540 3.420 2.759 2.462 3.135 0.078 15 0 "[ . 1 . 2]" 1
811 1 39 GLN HA 1 39 GLN HG3 3.790 3.070 4.510 3.665 3.604 3.756 . 0 0 "[ . 1 . 2]" 1
812 1 35 TYR HB2 1 39 GLN H 3.160 2.160 4.160 2.945 2.272 4.157 . 0 0 "[ . 1 . 2]" 1
813 1 35 TYR HB3 1 39 GLN H 4.080 2.410 5.750 4.207 3.580 5.576 . 0 0 "[ . 1 . 2]" 1
814 1 38 GLY HA2 1 39 GLN H 3.760 2.350 5.170 2.539 2.086 2.784 0.264 13 0 "[ . 1 . 2]" 1
815 1 39 GLN H 1 39 GLN HA 3.010 2.560 3.460 2.844 2.813 2.895 . 0 0 "[ . 1 . 2]" 1
816 1 39 GLN H 1 39 GLN QB 2.710 . 3.450 2.346 2.064 2.919 . 0 0 "[ . 1 . 2]" 1
817 1 39 GLN H 1 39 GLN HG2 3.830 . 6.000 3.295 2.323 4.627 . 0 0 "[ . 1 . 2]" 1
818 1 39 GLN H 1 39 GLN HG3 4.310 . 6.000 4.253 3.741 5.153 . 0 0 "[ . 1 . 2]" 1
819 1 40 TRP HA 1 40 TRP HD1 3.760 2.700 4.820 4.094 2.635 4.649 0.065 16 0 "[ . 1 . 2]" 1
820 1 40 TRP HB2 1 40 TRP HD1 3.600 . 6.000 3.320 2.655 3.847 . 0 0 "[ . 1 . 2]" 1
821 1 40 TRP HB3 1 40 TRP HD1 3.310 . 6.000 3.110 2.497 3.922 . 0 0 "[ . 1 . 2]" 1
822 1 40 TRP H 1 40 TRP HD1 4.020 3.210 4.830 4.777 4.322 4.934 0.104 10 0 "[ . 1 . 2]" 1
823 1 40 TRP HE1 1 41 ALA HA 4.310 2.450 6.000 5.418 4.799 6.069 0.069 16 0 "[ . 1 . 2]" 1
824 1 40 TRP HE1 1 41 ALA H 4.520 2.470 6.000 5.883 5.181 6.223 0.223 14 0 "[ . 1 . 2]" 1
825 1 40 TRP HB2 1 40 TRP HE3 3.040 . 6.000 3.284 2.496 4.119 . 0 0 "[ . 1 . 2]" 1
826 1 40 TRP HB3 1 40 TRP HE3 3.830 . 6.000 3.480 2.375 4.245 . 0 0 "[ . 1 . 2]" 1
827 1 35 TYR QD 1 40 TRP H 4.200 2.430 5.970 5.612 4.008 6.001 0.031 5 0 "[ . 1 . 2]" 1
828 1 35 TYR QE 1 40 TRP H 4.500 2.480 6.000 5.250 3.998 5.675 . 0 0 "[ . 1 . 2]" 1
829 1 39 GLN HA 1 40 TRP H 2.350 . 2.900 2.395 2.216 3.010 0.110 1 0 "[ . 1 . 2]" 1
830 1 39 GLN QB 1 40 TRP H 3.150 2.650 3.650 3.040 2.500 3.667 0.150 17 0 "[ . 1 . 2]" 1
831 1 39 GLN HG2 1 40 TRP H 4.690 3.040 6.000 4.538 3.709 5.252 . 0 0 "[ . 1 . 2]" 1
832 1 39 GLN HG3 1 40 TRP H 4.920 3.100 6.000 4.866 4.308 5.921 . 0 0 "[ . 1 . 2]" 1
833 1 40 TRP H 1 40 TRP QB 2.780 2.010 3.550 2.419 2.166 2.968 . 0 0 "[ . 1 . 2]" 1
834 1 40 TRP H 1 40 TRP HB2 3.370 . 6.000 2.960 2.461 3.648 . 0 0 "[ . 1 . 2]" 1
835 1 40 TRP H 1 40 TRP HB3 3.020 . 6.000 2.646 2.304 3.760 . 0 0 "[ . 1 . 2]" 1
836 1 40 TRP H 1 40 TRP HE3 4.250 2.440 6.000 4.358 2.390 5.833 0.050 7 0 "[ . 1 . 2]" 1
837 1 40 TRP H 1 41 ALA H 4.650 2.490 6.000 4.256 3.237 4.577 . 0 0 "[ . 1 . 2]" 1
838 1 19 THR MG 1 41 ALA MB 6.000 . 6.000 6.167 6.076 6.230 0.230 2 0 "[ . 1 . 2]" 1
839 1 31 VAL QG 1 41 ALA MB 4.110 . 6.000 5.881 5.721 6.030 0.030 8 0 "[ . 1 . 2]" 1
840 1 32 THR HA 1 41 ALA MB 4.100 2.840 5.360 5.399 5.317 5.501 0.141 17 0 "[ . 1 . 2]" 1
841 1 33 VAL HB 1 41 ALA MB 3.520 2.280 4.760 4.650 4.491 4.755 . 0 0 "[ . 1 . 2]" 1
842 1 33 VAL MG1 1 41 ALA MB 4.090 2.840 5.340 5.124 4.957 5.217 . 0 0 "[ . 1 . 2]" 1
843 1 33 VAL MG2 1 41 ALA MB 3.280 2.740 3.820 2.975 2.824 3.057 . 0 0 "[ . 1 . 2]" 1
844 1 35 TYR QE 1 41 ALA MB 2.530 2.050 3.010 2.220 1.958 2.633 0.092 14 0 "[ . 1 . 2]" 1
845 1 41 ALA HA 1 41 ALA MB 2.560 2.070 3.050 2.123 2.108 2.131 . 0 0 "[ . 1 . 2]" 1
846 1 41 ALA H 1 41 ALA MB 3.700 3.020 4.380 2.951 2.867 3.074 0.153 3 0 "[ . 1 . 2]" 1
847 1 41 ALA MB 1 75 PRO QG 3.560 2.290 4.830 4.707 4.399 4.941 0.111 7 0 "[ . 1 . 2]" 1
848 1 35 TYR QD 1 41 ALA H 4.470 2.480 6.000 5.305 4.198 6.091 0.091 14 0 "[ . 1 . 2]" 1
849 1 40 TRP HA 1 41 ALA H 2.950 . 6.000 2.154 2.081 2.285 . 0 0 "[ . 1 . 2]" 1
850 1 40 TRP QB 1 41 ALA H 4.780 2.490 6.000 3.626 2.627 4.025 . 0 0 "[ . 1 . 2]" 1
851 1 41 ALA H 1 41 ALA HA 3.030 2.570 3.490 2.788 2.662 2.860 . 0 0 "[ . 1 . 2]" 1
852 1 42 PRO HB2 1 43 CYS H 4.260 2.900 5.620 4.324 4.188 4.368 . 0 0 "[ . 1 . 2]" 1
853 1 42 PRO HA 1 42 PRO HB3 3.020 2.340 3.700 2.278 2.269 2.285 0.071 8 0 "[ . 1 . 2]" 1
854 1 43 CYS HA 1 70 CYS HB2 2.890 2.050 3.730 2.524 2.274 2.839 . 0 0 "[ . 1 . 2]" 1
855 1 32 THR HB 1 43 CYS HB2 3.210 2.690 3.730 3.702 3.269 3.877 0.147 19 0 "[ . 1 . 2]" 1
856 1 43 CYS HA 1 43 CYS HB2 3.120 2.630 3.610 2.852 2.603 2.969 0.027 16 0 "[ . 1 . 2]" 1
857 1 43 CYS H 1 43 CYS HB2 3.460 2.860 4.060 3.326 3.165 3.527 . 0 0 "[ . 1 . 2]" 1
858 1 32 THR HA 1 43 CYS HB3 5.020 3.130 6.000 5.482 5.296 5.601 . 0 0 "[ . 1 . 2]" 1
859 1 32 THR HB 1 43 CYS HB3 4.410 2.950 5.870 4.531 4.186 4.891 . 0 0 "[ . 1 . 2]" 1
860 1 43 CYS HA 1 43 CYS HB3 3.250 2.720 3.780 2.809 2.672 3.008 0.048 15 0 "[ . 1 . 2]" 1
861 1 43 CYS H 1 43 CYS HB3 3.580 2.940 4.220 3.836 3.429 4.179 . 0 0 "[ . 1 . 2]" 1
862 1 43 CYS HB3 1 44 ARG H 4.070 2.830 5.310 3.883 3.687 4.193 . 0 0 "[ . 1 . 2]" 1
863 1 43 CYS HB3 1 70 CYS HB2 3.930 2.380 5.480 4.408 4.087 5.191 . 0 0 "[ . 1 . 2]" 1
864 1 32 THR HA 1 43 CYS H 3.360 2.230 4.490 2.958 2.156 3.169 0.074 15 0 "[ . 1 . 2]" 1
865 1 32 THR HB 1 43 CYS H 3.800 2.360 5.240 3.405 2.710 3.677 . 0 0 "[ . 1 . 2]" 1
866 1 42 PRO HA 1 43 CYS H 2.330 . 2.870 2.610 2.198 2.739 . 0 0 "[ . 1 . 2]" 1
867 1 42 PRO HB3 1 43 CYS H 4.050 2.410 5.690 4.619 4.245 4.703 . 0 0 "[ . 1 . 2]" 1
868 1 43 CYS H 1 43 CYS HA 2.810 2.020 3.600 2.713 2.484 2.774 . 0 0 "[ . 1 . 2]" 1
869 1 43 CYS H 1 54 PHE QE 3.940 2.390 5.490 3.546 3.155 3.975 . 0 0 "[ . 1 . 2]" 1
870 1 43 CYS H 1 70 CYS HB2 4.830 2.490 6.000 5.086 4.632 5.479 . 0 0 "[ . 1 . 2]" 1
871 1 43 CYS H 1 75 PRO QG 3.800 2.350 5.250 4.015 3.566 4.986 . 0 0 "[ . 1 . 2]" 1
872 1 44 ARG HA 1 44 ARG HG2 2.630 . 3.320 2.436 2.119 2.643 . 0 0 "[ . 1 . 2]" 1
873 1 21 VAL MG2 1 44 ARG QB 3.760 2.340 5.180 5.060 4.741 5.234 0.054 18 0 "[ . 1 . 2]" 1
874 1 44 ARG HA 1 44 ARG QB 2.940 2.510 3.370 2.520 2.472 2.552 0.038 14 0 "[ . 1 . 2]" 1
875 1 44 ARG QB 1 45 VAL MG1 4.780 3.060 6.000 4.551 4.319 4.781 . 0 0 "[ . 1 . 2]" 1
876 1 44 ARG QB 1 45 VAL H 3.850 3.110 4.590 3.517 3.314 3.686 . 0 0 "[ . 1 . 2]" 1
877 1 44 ARG QB 1 52 ALA MB 3.330 2.220 4.440 2.667 2.418 2.856 . 0 0 "[ . 1 . 2]" 1
878 1 31 VAL QG 1 44 ARG HD2 4.740 2.490 6.000 5.772 4.906 6.119 0.119 20 0 "[ . 1 . 2]" 1
879 1 44 ARG HA 1 44 ARG HD2 3.500 2.890 4.110 4.042 3.776 4.255 0.145 1 0 "[ . 1 . 2]" 1
880 1 44 ARG QB 1 44 ARG HD2 4.700 3.040 6.000 3.187 2.777 3.398 0.263 19 0 "[ . 1 . 2]" 1
881 1 44 ARG HD2 1 44 ARG HG3 2.850 2.040 3.660 2.284 2.222 2.383 . 0 0 "[ . 1 . 2]" 1
882 1 44 ARG HD2 1 52 ALA MB 4.040 2.410 5.670 4.028 2.938 4.611 . 0 0 "[ . 1 . 2]" 1
883 1 44 ARG HA 1 44 ARG HD3 4.020 3.210 4.830 3.187 2.996 3.940 0.214 19 0 "[ . 1 . 2]" 1
884 1 44 ARG QB 1 44 ARG HD3 3.110 2.140 4.080 2.314 2.146 2.617 . 0 0 "[ . 1 . 2]" 1
885 1 44 ARG HD3 1 44 ARG HG3 3.020 2.560 3.480 2.723 2.519 3.032 0.041 16 0 "[ . 1 . 2]" 1
886 1 44 ARG QB 1 44 ARG HG2 2.880 2.050 3.710 2.408 2.307 2.486 . 0 0 "[ . 1 . 2]" 1
887 1 44 ARG HD2 1 44 ARG HG2 3.580 2.620 4.540 2.715 2.535 3.001 0.085 16 0 "[ . 1 . 2]" 1
888 1 44 ARG HA 1 44 ARG HG3 5.740 3.270 6.000 3.627 3.460 3.706 . 0 0 "[ . 1 . 2]" 1
889 1 44 ARG QB 1 44 ARG HG3 2.630 . 3.320 2.147 2.120 2.163 . 0 0 "[ . 1 . 2]" 1
890 1 31 VAL HA 1 44 ARG H 4.190 2.430 5.950 4.489 4.377 4.539 . 0 0 "[ . 1 . 2]" 1
891 1 31 VAL HB 1 44 ARG H 4.280 2.450 6.000 5.441 5.301 5.549 . 0 0 "[ . 1 . 2]" 1
892 1 31 VAL QG 1 44 ARG H 3.410 2.250 4.570 3.332 3.152 3.505 . 0 0 "[ . 1 . 2]" 1
893 1 31 VAL H 1 44 ARG H 2.610 2.270 2.950 2.927 2.705 3.036 0.086 19 0 "[ . 1 . 2]" 1
894 1 32 THR HA 1 44 ARG H 3.560 2.290 4.830 3.513 3.337 3.601 . 0 0 "[ . 1 . 2]" 1
895 1 32 THR HB 1 44 ARG H 4.480 2.970 5.990 4.162 3.930 4.511 . 0 0 "[ . 1 . 2]" 1
896 1 43 CYS HB2 1 44 ARG H 4.590 3.540 5.640 4.547 4.444 4.622 . 0 0 "[ . 1 . 2]" 1
897 1 43 CYS H 1 44 ARG H 4.090 3.250 4.930 3.518 3.188 3.787 0.062 15 0 "[ . 1 . 2]" 1
898 1 44 ARG H 1 44 ARG HA 2.500 2.190 2.810 2.891 2.872 2.906 0.096 7 0 "[ . 1 . 2]" 1
899 1 44 ARG H 1 44 ARG QB 3.280 2.740 3.820 2.717 2.656 2.788 0.084 14 0 "[ . 1 . 2]" 1
900 1 44 ARG H 1 44 ARG HG3 5.230 3.180 6.000 4.914 4.543 5.144 . 0 0 "[ . 1 . 2]" 1
901 1 44 ARG H 1 52 ALA MB 4.680 2.490 6.000 5.120 4.951 5.279 . 0 0 "[ . 1 . 2]" 1
902 1 44 ARG H 1 54 PHE QE 4.140 2.430 5.850 4.803 4.624 5.034 . 0 0 "[ . 1 . 2]" 1
903 1 45 VAL HA 1 45 VAL HB 2.470 2.010 2.930 2.309 2.272 2.343 . 0 0 "[ . 1 . 2]" 1
904 1 45 VAL HB 1 46 ILE H 4.040 3.220 4.860 3.807 3.733 3.896 . 0 0 "[ . 1 . 2]" 1
905 1 29 VAL HA 1 45 VAL MG1 5.710 . 6.000 6.102 6.055 6.165 0.165 6 0 "[ . 1 . 2]" 1
906 1 31 VAL H 1 45 VAL MG1 5.100 3.150 6.000 5.193 5.116 5.254 . 0 0 "[ . 1 . 2]" 1
907 1 43 CYS HB3 1 45 VAL MG1 2.870 . 6.000 6.023 5.887 6.166 0.166 8 0 "[ . 1 . 2]" 1
908 1 44 ARG HD2 1 45 VAL MG1 4.080 2.420 5.740 4.997 4.359 5.780 0.040 4 0 "[ . 1 . 2]" 1
909 1 45 VAL HA 1 45 VAL MG1 2.940 2.510 3.370 3.153 3.127 3.178 . 0 0 "[ . 1 . 2]" 1
910 1 45 VAL HB 1 45 VAL MG1 2.360 2.080 2.640 2.115 2.109 2.122 . 0 0 "[ . 1 . 2]" 1
911 1 45 VAL H 1 45 VAL MG1 2.150 . 2.500 1.788 1.757 1.833 0.043 8 0 "[ . 1 . 2]" 1
912 1 45 VAL MG1 1 72 PRO HA 2.350 . 6.000 4.835 3.752 5.876 . 0 0 "[ . 1 . 2]" 1
913 1 28 ALA MB 1 45 VAL MG2 1.830 . 2.200 2.114 1.978 2.245 0.045 19 0 "[ . 1 . 2]" 1
914 1 30 SER HA 1 45 VAL MG2 3.960 3.180 4.740 3.501 3.169 3.762 0.011 19 0 "[ . 1 . 2]" 1
915 1 45 VAL HA 1 45 VAL MG2 2.610 2.270 2.950 2.610 2.520 2.676 . 0 0 "[ . 1 . 2]" 1
916 1 45 VAL HB 1 45 VAL MG2 2.230 . 2.480 2.133 2.129 2.138 . 0 0 "[ . 1 . 2]" 1
917 1 45 VAL MG1 1 45 VAL MG2 1.930 . 2.210 2.077 2.069 2.087 . 0 0 "[ . 1 . 2]" 1
918 1 45 VAL H 1 45 VAL MG2 3.830 2.730 4.930 3.707 3.652 3.778 . 0 0 "[ . 1 . 2]" 1
919 1 45 VAL MG2 1 46 ILE HA 3.250 2.720 3.780 3.709 3.637 3.793 0.013 16 0 "[ . 1 . 2]" 1
920 1 45 VAL MG2 1 47 GLU HA 3.900 3.140 4.660 3.994 3.872 4.056 . 0 0 "[ . 1 . 2]" 1
921 1 45 VAL MG2 1 47 GLU HG3 3.920 3.150 4.690 4.531 4.367 4.691 0.001 3 0 "[ . 1 . 2]" 1
922 1 44 ARG HD3 1 45 VAL H 3.450 2.260 4.640 3.307 2.476 4.520 . 0 0 "[ . 1 . 2]" 1
923 1 44 ARG HG3 1 45 VAL H 4.880 2.500 6.000 5.043 4.704 5.444 . 0 0 "[ . 1 . 2]" 1
924 1 44 ARG H 1 45 VAL H 4.730 3.050 6.000 4.104 3.976 4.194 . 0 0 "[ . 1 . 2]" 1
925 1 45 VAL H 1 45 VAL HB 2.540 . 3.180 3.078 2.993 3.148 . 0 0 "[ . 1 . 2]" 1
926 1 45 VAL H 1 52 ALA MB 4.770 . 6.000 5.562 5.449 5.696 . 0 0 "[ . 1 . 2]" 1
927 1 28 ALA MB 1 46 ILE HA 3.720 2.340 5.100 5.026 4.899 5.119 0.019 8 0 "[ . 1 . 2]" 1
928 1 45 VAL HA 1 46 ILE HA 3.730 2.340 5.120 4.314 4.290 4.343 . 0 0 "[ . 1 . 2]" 1
929 1 46 ILE HA 1 46 ILE MG 2.820 2.020 3.620 3.105 3.083 3.119 . 0 0 "[ . 1 . 2]" 1
930 1 28 ALA MB 1 46 ILE HB 4.650 2.490 6.000 5.417 5.300 5.486 . 0 0 "[ . 1 . 2]" 1
931 1 46 ILE HA 1 46 ILE HB 3.310 2.760 3.860 2.742 2.730 2.766 0.030 3 0 "[ . 1 . 2]" 1
932 1 46 ILE HB 1 47 GLU HG3 5.810 . 6.000 6.153 6.087 6.215 0.215 14 0 "[ . 1 . 2]" 1
933 1 21 VAL HB 1 46 ILE MD 3.340 2.220 4.460 4.395 4.315 4.472 0.012 19 0 "[ . 1 . 2]" 1
934 1 23 ASN HB2 1 46 ILE MD 3.680 3.000 4.360 3.544 3.434 3.639 . 0 0 "[ . 1 . 2]" 1
935 1 44 ARG QB 1 46 ILE MD 3.960 . 5.920 3.706 3.272 3.989 . 0 0 "[ . 1 . 2]" 1
936 1 45 VAL HA 1 46 ILE MD 2.560 . 6.000 4.631 4.508 4.753 . 0 0 "[ . 1 . 2]" 1
937 1 46 ILE HA 1 46 ILE MD 3.100 2.620 3.580 2.454 2.421 2.472 0.199 9 0 "[ . 1 . 2]" 1
938 1 46 ILE HB 1 46 ILE MD 2.190 . 2.430 2.137 2.091 2.230 . 0 0 "[ . 1 . 2]" 1
939 1 46 ILE MD 1 51 TRP HA 3.530 2.910 4.150 2.988 2.892 3.071 0.018 4 0 "[ . 1 . 2]" 1
940 1 7 ALA MB 1 46 ILE MD 1.840 . 6.000 5.971 5.761 6.039 0.039 2 0 "[ . 1 . 2]" 1
941 1 10 VAL HB 1 46 ILE QG 3.710 2.330 5.090 3.500 3.389 3.669 . 0 0 "[ . 1 . 2]" 1
942 1 23 ASN HA 1 46 ILE QG 3.220 . 4.520 4.082 4.031 4.155 . 0 0 "[ . 1 . 2]" 1
943 1 23 ASN HB3 1 46 ILE QG 2.660 2.310 3.010 2.335 2.270 2.452 0.040 9 0 "[ . 1 . 2]" 1
944 1 28 ALA HA 1 46 ILE QG 4.420 3.440 5.400 5.273 5.178 5.348 . 0 0 "[ . 1 . 2]" 1
945 1 45 VAL HA 1 46 ILE QG 2.240 . 6.000 5.638 5.569 5.679 . 0 0 "[ . 1 . 2]" 1
946 1 46 ILE HA 1 46 ILE QG 2.500 2.190 2.810 2.271 2.192 2.314 . 0 0 "[ . 1 . 2]" 1
947 1 46 ILE HB 1 46 ILE QG 2.210 . 2.450 2.441 2.428 2.456 0.006 16 0 "[ . 1 . 2]" 1
948 1 46 ILE MD 1 46 ILE QG 2.020 . 2.430 1.876 1.862 1.894 . 0 0 "[ . 1 . 2]" 1
949 1 46 ILE H 1 46 ILE QG 4.120 3.270 4.970 4.059 4.019 4.090 . 0 0 "[ . 1 . 2]" 1
950 1 46 ILE QG 1 50 GLY HA2 3.970 3.180 4.760 4.528 4.423 4.643 . 0 0 "[ . 1 . 2]" 1
951 1 46 ILE QG 1 50 GLY HA3 2.960 2.520 3.400 3.322 3.181 3.462 0.062 16 0 "[ . 1 . 2]" 1
952 1 46 ILE QG 1 51 TRP HA 3.270 2.740 3.800 3.661 3.601 3.701 . 0 0 "[ . 1 . 2]" 1
953 1 46 ILE QG 1 52 ALA MB 3.440 2.260 4.620 3.619 3.549 3.669 . 0 0 "[ . 1 . 2]" 1
954 1 46 ILE QG 1 67 LEU MD2 4.440 . 6.000 6.115 6.047 6.156 0.156 6 0 "[ . 1 . 2]" 1
955 1 7 ALA MB 1 46 ILE QG 1.970 . 6.000 6.039 5.975 6.082 0.082 16 0 "[ . 1 . 2]" 1
956 1 23 ASN HB2 1 46 ILE MG 2.570 2.080 3.060 2.005 1.991 2.018 0.089 4 0 "[ . 1 . 2]" 1
957 1 23 ASN HB3 1 46 ILE MG 2.530 2.210 2.850 2.248 2.202 2.293 0.008 17 0 "[ . 1 . 2]" 1
958 1 46 ILE HB 1 46 ILE MG 2.170 . 2.400 2.100 2.090 2.108 . 0 0 "[ . 1 . 2]" 1
959 1 46 ILE QG 1 46 ILE MG 1.850 . 2.280 2.105 2.092 2.118 . 0 0 "[ . 1 . 2]" 1
960 1 46 ILE MG 1 48 PRO HA 3.440 2.850 4.030 3.409 3.172 3.509 . 0 0 "[ . 1 . 2]" 1
961 1 46 ILE MG 1 52 ALA MB 4.200 . 6.000 4.967 4.910 4.996 . 0 0 "[ . 1 . 2]" 1
962 1 23 ASN HB3 1 46 ILE H 5.830 3.280 6.000 6.080 6.056 6.103 0.103 13 0 "[ . 1 . 2]" 1
963 1 28 ALA HA 1 46 ILE H 4.270 2.900 5.640 4.234 4.132 4.353 . 0 0 "[ . 1 . 2]" 1
964 1 28 ALA MB 1 46 ILE H 3.990 3.190 4.790 3.978 3.861 4.103 . 0 0 "[ . 1 . 2]" 1
965 1 29 VAL H 1 46 ILE H 3.030 2.570 3.490 2.830 2.671 2.962 . 0 0 "[ . 1 . 2]" 1
966 1 30 SER HB2 1 46 ILE H 2.660 . 6.000 5.809 5.767 5.902 . 0 0 "[ . 1 . 2]" 1
967 1 30 SER HB3 1 46 ILE H 2.550 . 6.000 5.305 5.202 5.420 . 0 0 "[ . 1 . 2]" 1
968 1 30 SER H 1 46 ILE H 4.460 . 6.000 4.445 4.375 4.545 . 0 0 "[ . 1 . 2]" 1
969 1 31 VAL H 1 46 ILE H 3.990 3.200 4.780 3.868 3.761 4.016 . 0 0 "[ . 1 . 2]" 1
970 1 45 VAL HA 1 46 ILE H 2.090 . 2.310 2.137 2.079 2.216 . 0 0 "[ . 1 . 2]" 1
971 1 45 VAL MG1 1 46 ILE H 4.110 3.270 4.950 4.136 4.018 4.238 . 0 0 "[ . 1 . 2]" 1
972 1 45 VAL MG2 1 46 ILE H 2.670 2.310 3.030 2.436 2.297 2.628 0.013 1 0 "[ . 1 . 2]" 1
973 1 45 VAL H 1 46 ILE H 4.190 2.870 5.510 4.521 4.451 4.580 . 0 0 "[ . 1 . 2]" 1
974 1 46 ILE H 1 46 ILE HA 2.960 2.520 3.400 2.901 2.887 2.912 . 0 0 "[ . 1 . 2]" 1
975 1 46 ILE H 1 46 ILE HB 2.500 2.030 2.970 2.316 2.249 2.370 . 0 0 "[ . 1 . 2]" 1
976 1 46 ILE H 1 46 ILE MD 3.970 3.180 4.760 3.698 3.619 3.773 . 0 0 "[ . 1 . 2]" 1
977 1 46 ILE H 1 46 ILE MG 3.170 2.670 3.670 2.668 2.622 2.766 0.048 4 0 "[ . 1 . 2]" 1
978 1 46 ILE MD 1 47 GLU HA 4.420 2.470 6.000 5.848 5.801 5.925 . 0 0 "[ . 1 . 2]" 1
979 1 46 ILE QG 1 47 GLU HA 4.100 2.420 5.780 4.678 4.626 4.745 . 0 0 "[ . 1 . 2]" 1
980 1 47 GLU HA 1 48 PRO HB2 4.340 2.450 6.000 5.139 5.016 5.255 . 0 0 "[ . 1 . 2]" 1
981 1 28 ALA HA 1 47 GLU HB2 5.150 2.490 6.000 5.886 5.794 5.979 . 0 0 "[ . 1 . 2]" 1
982 1 28 ALA MB 1 47 GLU HB2 5.010 3.120 6.000 5.486 5.320 5.560 . 0 0 "[ . 1 . 2]" 1
983 1 47 GLU HA 1 47 GLU HB2 3.020 2.560 3.480 3.025 3.019 3.032 . 0 0 "[ . 1 . 2]" 1
984 1 47 GLU HB2 1 47 GLU HG3 2.060 . 2.380 2.390 2.361 2.432 0.052 2 0 "[ . 1 . 2]" 1
985 1 47 GLU HB2 1 48 PRO HA 4.690 . 6.000 5.426 5.366 5.482 . 0 0 "[ . 1 . 2]" 1
986 1 47 GLU HB2 1 48 PRO HD2 4.300 3.370 5.230 3.881 3.829 4.026 . 0 0 "[ . 1 . 2]" 1
987 1 47 GLU HB2 1 48 PRO HD3 4.630 3.560 5.700 4.876 4.798 4.978 . 0 0 "[ . 1 . 2]" 1
988 1 28 ALA HA 1 47 GLU HB3 4.990 . 6.000 5.402 5.272 5.470 . 0 0 "[ . 1 . 2]" 1
989 1 47 GLU HA 1 47 GLU HB3 2.720 2.350 3.090 2.403 2.385 2.418 . 0 0 "[ . 1 . 2]" 1
990 1 47 GLU HB3 1 47 GLU HG2 2.220 . 2.470 2.492 2.455 2.518 0.048 3 0 "[ . 1 . 2]" 1
991 1 47 GLU HB3 1 48 PRO HD2 3.050 2.580 3.520 2.565 2.504 2.794 0.076 3 0 "[ . 1 . 2]" 1
992 1 28 ALA MB 1 47 GLU HG2 4.290 2.450 6.000 4.087 3.805 4.231 . 0 0 "[ . 1 . 2]" 1
993 1 45 VAL MG2 1 47 GLU HG2 3.140 2.400 3.880 4.029 3.968 4.078 0.198 5 0 "[ . 1 . 2]" 1
994 1 46 ILE QG 1 47 GLU HG2 6.000 . 6.000 5.451 5.327 5.576 . 0 0 "[ . 1 . 2]" 1
995 1 47 GLU HA 1 47 GLU HG2 2.630 . 3.320 2.549 2.492 2.598 . 0 0 "[ . 1 . 2]" 1
996 1 47 GLU HB2 1 47 GLU HG2 2.800 2.210 3.390 3.007 2.997 3.015 . 0 0 "[ . 1 . 2]" 1
997 1 47 GLU HG2 1 48 PRO HD3 4.530 2.480 6.000 4.724 4.598 4.878 . 0 0 "[ . 1 . 2]" 1
998 1 28 ALA MB 1 47 GLU HG3 4.810 3.080 6.000 5.108 4.903 5.284 . 0 0 "[ . 1 . 2]" 1
999 1 46 ILE QG 1 47 GLU HG3 5.130 . 6.000 4.366 4.267 4.470 . 0 0 "[ . 1 . 2]" 1
1000 1 47 GLU HA 1 47 GLU HG3 3.700 2.670 4.730 3.285 3.199 3.348 . 0 0 "[ . 1 . 2]" 1
1001 1 47 GLU HB3 1 47 GLU HG3 2.940 2.290 3.590 3.003 2.993 3.009 . 0 0 "[ . 1 . 2]" 1
1002 1 47 GLU HG3 1 48 PRO HD2 5.670 3.260 6.000 4.933 4.826 5.037 . 0 0 "[ . 1 . 2]" 1
1003 1 28 ALA MB 1 47 GLU H 4.180 2.870 5.490 4.813 4.687 4.895 . 0 0 "[ . 1 . 2]" 1
1004 1 45 VAL MG2 1 47 GLU H 4.490 2.980 6.000 4.337 4.222 4.406 . 0 0 "[ . 1 . 2]" 1
1005 1 46 ILE HA 1 47 GLU H 2.240 . 2.490 2.177 2.144 2.205 . 0 0 "[ . 1 . 2]" 1
1006 1 46 ILE HB 1 47 GLU H 3.970 . 6.000 4.240 4.207 4.272 . 0 0 "[ . 1 . 2]" 1
1007 1 46 ILE MD 1 47 GLU H 6.000 3.100 6.000 3.731 3.643 3.891 . 0 0 "[ . 1 . 2]" 1
1008 1 46 ILE QG 1 47 GLU H 2.810 2.420 3.200 2.463 2.388 2.538 0.032 20 0 "[ . 1 . 2]" 1
1009 1 46 ILE MG 1 47 GLU H 4.010 . 6.000 3.045 2.981 3.109 . 0 0 "[ . 1 . 2]" 1
1010 1 47 GLU H 1 47 GLU HA 2.880 2.470 3.290 2.893 2.883 2.905 . 0 0 "[ . 1 . 2]" 1
1011 1 47 GLU H 1 47 GLU HB2 3.060 2.590 3.530 2.572 2.540 2.600 0.050 7 0 "[ . 1 . 2]" 1
1012 1 47 GLU H 1 47 GLU HB3 3.410 2.830 3.990 3.609 3.598 3.619 . 0 0 "[ . 1 . 2]" 1
1013 1 47 GLU H 1 47 GLU HG2 3.760 3.050 4.470 3.181 3.081 3.291 . 0 0 "[ . 1 . 2]" 1
1014 1 47 GLU H 1 47 GLU HG3 2.910 2.270 3.550 2.159 2.097 2.188 0.173 2 0 "[ . 1 . 2]" 1
1015 1 47 GLU H 1 48 PRO HD2 4.590 3.540 5.640 4.790 4.729 4.854 . 0 0 "[ . 1 . 2]" 1
1016 1 47 GLU H 1 48 PRO HD3 4.690 3.040 6.000 4.927 4.810 4.999 . 0 0 "[ . 1 . 2]" 1
1017 1 47 GLU H 1 50 GLY HA2 5.180 . 6.000 4.953 4.799 5.147 . 0 0 "[ . 1 . 2]" 1
1018 1 26 ALA HA 1 48 PRO HA 3.960 . 5.920 3.956 3.407 4.533 . 0 0 "[ . 1 . 2]" 1
1019 1 26 ALA MB 1 48 PRO HA 6.000 . 6.000 5.183 4.763 5.650 . 0 0 "[ . 1 . 2]" 1
1020 1 28 ALA MB 1 48 PRO HA 4.780 2.490 6.000 5.167 5.118 5.233 . 0 0 "[ . 1 . 2]" 1
1021 1 9 CYS QB 1 48 PRO HA 2.470 . 6.000 5.762 5.438 6.152 0.152 13 0 "[ . 1 . 2]" 1
1022 1 26 ALA HA 1 48 PRO HB2 4.560 3.520 5.600 3.602 3.479 3.803 0.041 6 0 "[ . 1 . 2]" 1
1023 1 27 ASP HA 1 48 PRO HB2 6.000 3.170 6.000 4.879 4.718 5.084 . 0 0 "[ . 1 . 2]" 1
1024 1 28 ALA HA 1 48 PRO HB2 6.000 . 6.000 5.880 5.677 6.029 0.029 9 0 "[ . 1 . 2]" 1
1025 1 28 ALA MB 1 48 PRO HB2 4.380 2.940 5.820 5.794 5.679 5.862 0.042 15 0 "[ . 1 . 2]" 1
1026 1 48 PRO HB2 1 48 PRO HG3 2.940 2.290 3.590 2.914 2.864 2.945 . 0 0 "[ . 1 . 2]" 1
1027 1 26 ALA HA 1 48 PRO HB3 2.020 . 2.530 2.330 2.042 2.660 0.130 15 0 "[ . 1 . 2]" 1
1028 1 27 ASP HA 1 48 PRO HB3 3.790 3.070 4.510 3.662 3.423 3.908 . 0 0 "[ . 1 . 2]" 1
1029 1 28 ALA HA 1 48 PRO HB3 4.970 3.120 6.000 5.251 5.016 5.509 . 0 0 "[ . 1 . 2]" 1
1030 1 48 PRO HA 1 48 PRO HB3 2.570 2.240 2.900 2.280 2.261 2.305 . 0 0 "[ . 1 . 2]" 1
1031 1 48 PRO HB3 1 48 PRO HG2 2.250 . 2.750 2.771 2.734 2.827 0.077 13 0 "[ . 1 . 2]" 1
1032 1 27 ASP HA 1 48 PRO HD2 4.400 2.950 5.850 4.786 4.581 5.141 . 0 0 "[ . 1 . 2]" 1
1033 1 46 ILE QG 1 48 PRO HD2 2.690 . 6.000 6.169 6.130 6.206 0.206 10 0 "[ . 1 . 2]" 1
1034 1 47 GLU HA 1 48 PRO HD2 1.910 . 2.200 2.152 2.044 2.232 0.032 2 0 "[ . 1 . 2]" 1
1035 1 47 GLU HG2 1 48 PRO HD2 4.160 3.300 5.020 3.926 3.781 4.043 . 0 0 "[ . 1 . 2]" 1
1036 1 48 PRO HA 1 48 PRO HD2 3.690 2.330 5.050 3.953 3.918 3.979 . 0 0 "[ . 1 . 2]" 1
1037 1 48 PRO HB2 1 48 PRO HD2 3.430 2.840 4.020 3.488 3.370 3.677 . 0 0 "[ . 1 . 2]" 1
1038 1 48 PRO HB3 1 48 PRO HD2 3.140 2.160 4.120 4.069 4.047 4.089 . 0 0 "[ . 1 . 2]" 1
1039 1 48 PRO HD2 1 48 PRO HG2 2.410 2.120 2.700 2.263 2.254 2.277 . 0 0 "[ . 1 . 2]" 1
1040 1 48 PRO HD2 1 49 GLY H 2.900 . 6.000 5.351 5.253 5.417 . 0 0 "[ . 1 . 2]" 1
1041 1 28 ALA HA 1 48 PRO HD3 2.200 . 2.440 2.211 1.957 2.387 0.003 16 0 "[ . 1 . 2]" 1
1042 1 28 ALA MB 1 48 PRO HD3 2.910 2.490 3.330 2.439 2.382 2.499 0.108 2 0 "[ . 1 . 2]" 1
1043 1 29 VAL MG1 1 48 PRO HD3 2.760 . 6.000 5.321 4.984 5.502 . 0 0 "[ . 1 . 2]" 1
1044 1 47 GLU HA 1 48 PRO HD3 2.560 2.230 2.890 2.353 2.218 2.449 0.012 2 0 "[ . 1 . 2]" 1
1045 1 47 GLU HB3 1 48 PRO HD3 4.380 2.940 5.820 3.967 3.887 4.155 . 0 0 "[ . 1 . 2]" 1
1046 1 47 GLU HG3 1 48 PRO HD3 5.360 3.210 6.000 5.628 5.414 5.755 . 0 0 "[ . 1 . 2]" 1
1047 1 48 PRO HA 1 48 PRO HD3 3.120 2.140 4.100 3.312 3.211 3.416 . 0 0 "[ . 1 . 2]" 1
1048 1 48 PRO HB2 1 48 PRO HD3 4.270 3.360 5.180 3.963 3.936 3.988 . 0 0 "[ . 1 . 2]" 1
1049 1 48 PRO HB3 1 48 PRO HD3 2.990 2.100 3.880 3.746 3.581 3.835 . 0 0 "[ . 1 . 2]" 1
1050 1 48 PRO HD3 1 48 PRO HG3 2.620 2.280 2.960 2.254 2.247 2.262 0.033 16 0 "[ . 1 . 2]" 1
1051 1 27 ASP HA 1 48 PRO HG2 4.400 3.430 5.370 3.775 3.734 3.813 . 0 0 "[ . 1 . 2]" 1
1052 1 27 ASP HB2 1 48 PRO HG2 6.000 . 6.000 6.041 6.000 6.088 0.088 2 0 "[ . 1 . 2]" 1
1053 1 28 ALA HA 1 48 PRO HG2 4.860 3.090 6.000 4.991 4.722 5.150 . 0 0 "[ . 1 . 2]" 1
1054 1 47 GLU HA 1 48 PRO HG2 4.180 2.440 5.920 4.342 4.256 4.404 . 0 0 "[ . 1 . 2]" 1
1055 1 48 PRO HA 1 48 PRO HG2 3.380 2.530 4.230 3.947 3.915 3.973 . 0 0 "[ . 1 . 2]" 1
1056 1 48 PRO HB2 1 48 PRO HG2 1.960 . 2.250 2.260 2.239 2.279 0.029 2 0 "[ . 1 . 2]" 1
1057 1 48 PRO HD3 1 48 PRO HG2 3.360 2.800 3.920 2.852 2.805 2.903 . 0 0 "[ . 1 . 2]" 1
1058 1 27 ASP HA 1 48 PRO HG3 2.380 . 2.800 2.206 2.117 2.460 . 0 0 "[ . 1 . 2]" 1
1059 1 27 ASP HB3 1 48 PRO HG3 4.680 2.490 6.000 4.628 4.523 4.805 . 0 0 "[ . 1 . 2]" 1
1060 1 28 ALA HA 1 48 PRO HG3 5.080 3.140 6.000 3.927 3.522 4.099 . 0 0 "[ . 1 . 2]" 1
1061 1 47 GLU HA 1 48 PRO HG3 4.790 3.640 5.940 4.443 4.366 4.496 . 0 0 "[ . 1 . 2]" 1
1062 1 48 PRO HA 1 48 PRO HG3 3.970 3.180 4.760 3.268 3.136 3.463 0.044 6 0 "[ . 1 . 2]" 1
1063 1 48 PRO HB3 1 48 PRO HG3 1.940 . 2.200 2.245 2.231 2.264 0.064 6 0 "[ . 1 . 2]" 1
1064 1 48 PRO HD2 1 48 PRO HG3 3.010 2.330 3.690 2.878 2.824 2.922 . 0 0 "[ . 1 . 2]" 1
1065 1 48 PRO HB2 1 49 GLY HA3 3.470 2.260 4.680 4.390 4.312 4.466 . 0 0 "[ . 1 . 2]" 1
1066 1 10 VAL HA 1 49 GLY H 2.860 . 6.000 6.118 6.062 6.160 0.160 17 0 "[ . 1 . 2]" 1
1067 1 23 ASN HB2 1 49 GLY H 3.710 3.020 4.400 4.044 3.954 4.093 . 0 0 "[ . 1 . 2]" 1
1068 1 23 ASN HB3 1 49 GLY H 2.870 2.460 3.280 2.405 2.360 2.439 0.100 7 0 "[ . 1 . 2]" 1
1069 1 24 GLY HA3 1 49 GLY H 4.710 2.500 6.000 5.093 4.918 5.304 . 0 0 "[ . 1 . 2]" 1
1070 1 46 ILE HB 1 49 GLY H 2.510 . 6.000 6.194 6.143 6.239 0.239 7 0 "[ . 1 . 2]" 1
1071 1 46 ILE QG 1 49 GLY H 4.690 2.490 6.000 4.165 4.097 4.236 . 0 0 "[ . 1 . 2]" 1
1072 1 46 ILE MG 1 49 GLY H 3.950 2.390 5.510 3.296 3.216 3.371 . 0 0 "[ . 1 . 2]" 1
1073 1 48 PRO HA 1 49 GLY H 2.290 2.030 2.550 2.302 2.266 2.327 . 0 0 "[ . 1 . 2]" 1
1074 1 48 PRO HB2 1 49 GLY H 3.800 2.360 5.240 4.278 4.212 4.339 . 0 0 "[ . 1 . 2]" 1
1075 1 48 PRO HB3 1 49 GLY H 4.280 3.360 5.200 4.210 4.155 4.262 . 0 0 "[ . 1 . 2]" 1
1076 1 49 GLY H 1 49 GLY HA2 2.850 2.440 3.260 2.399 2.373 2.435 0.067 17 0 "[ . 1 . 2]" 1
1077 1 49 GLY H 1 49 GLY HA3 2.970 2.530 3.410 2.947 2.931 2.960 . 0 0 "[ . 1 . 2]" 1
1078 1 47 GLU HB3 1 50 GLY HA2 2.480 . 6.000 5.563 5.285 5.796 . 0 0 "[ . 1 . 2]" 1
1079 1 23 ASN HB3 1 50 GLY HA3 3.840 3.100 4.580 4.651 4.570 4.689 0.109 1 0 "[ . 1 . 2]" 1
1080 1 47 GLU HG2 1 50 GLY HA3 2.600 . 6.000 5.294 5.030 5.478 . 0 0 "[ . 1 . 2]" 1
1081 1 47 GLU HG3 1 50 GLY HA3 3.560 2.920 4.200 4.005 3.726 4.204 0.004 18 0 "[ . 1 . 2]" 1
1082 1 47 GLU H 1 50 GLY HA3 3.770 3.060 4.480 3.198 3.036 3.401 0.024 5 0 "[ . 1 . 2]" 1
1083 1 22 HIS HA 1 50 GLY H 4.490 2.470 6.000 4.923 4.740 5.156 . 0 0 "[ . 1 . 2]" 1
1084 1 23 ASN HB2 1 50 GLY H 3.610 2.630 4.590 4.528 4.436 4.623 0.033 1 0 "[ . 1 . 2]" 1
1085 1 23 ASN HB3 1 50 GLY H 3.160 2.410 3.910 2.851 2.752 2.969 . 0 0 "[ . 1 . 2]" 1
1086 1 46 ILE HB 1 50 GLY H 2.660 . 6.000 5.817 5.717 5.941 . 0 0 "[ . 1 . 2]" 1
1087 1 46 ILE QG 1 50 GLY H 3.360 2.800 3.920 3.303 3.188 3.382 . 0 0 "[ . 1 . 2]" 1
1088 1 46 ILE MG 1 50 GLY H 3.680 2.320 5.040 3.336 3.198 3.449 . 0 0 "[ . 1 . 2]" 1
1089 1 47 GLU HG2 1 50 GLY H 2.770 . 6.000 6.071 6.014 6.122 0.122 16 0 "[ . 1 . 2]" 1
1090 1 47 GLU HG3 1 50 GLY H 4.340 3.400 5.280 5.274 5.206 5.335 0.055 1 0 "[ . 1 . 2]" 1
1091 1 47 GLU H 1 50 GLY H 3.900 2.380 5.420 3.818 3.750 3.866 . 0 0 "[ . 1 . 2]" 1
1092 1 48 PRO HA 1 50 GLY H 3.730 3.030 4.430 3.881 3.817 3.917 . 0 0 "[ . 1 . 2]" 1
1093 1 49 GLY HA2 1 50 GLY H 3.490 2.880 4.100 3.173 3.102 3.265 . 0 0 "[ . 1 . 2]" 1
1094 1 49 GLY HA3 1 50 GLY H 3.630 2.970 4.290 3.370 3.319 3.406 . 0 0 "[ . 1 . 2]" 1
1095 1 49 GLY H 1 50 GLY H 2.330 2.060 2.600 2.217 2.119 2.315 . 0 0 "[ . 1 . 2]" 1
1096 1 50 GLY H 1 50 GLY HA2 2.990 2.540 3.440 2.925 2.907 2.937 . 0 0 "[ . 1 . 2]" 1
1097 1 50 GLY H 1 50 GLY HA3 2.530 2.210 2.850 2.340 2.303 2.367 . 0 0 "[ . 1 . 2]" 1
1098 1 50 GLY H 1 51 TRP HA 4.180 2.430 5.930 5.204 5.135 5.262 . 0 0 "[ . 1 . 2]" 1
1099 1 50 GLY H 1 51 TRP H 4.060 2.820 5.300 4.406 4.367 4.447 . 0 0 "[ . 1 . 2]" 1
1100 1 10 VAL MG2 1 51 TRP HA 4.680 3.040 6.000 5.966 5.863 6.046 0.046 10 0 "[ . 1 . 2]" 1
1101 1 21 VAL MG1 1 51 TRP HA 5.040 3.140 6.000 4.294 4.185 4.385 . 0 0 "[ . 1 . 2]" 1
1102 1 21 VAL H 1 51 TRP HA 4.190 2.870 5.510 3.895 3.807 3.977 . 0 0 "[ . 1 . 2]" 1
1103 1 22 HIS HA 1 51 TRP HA 2.800 2.410 3.190 2.675 2.611 2.748 . 0 0 "[ . 1 . 2]" 1
1104 1 22 HIS QB 1 51 TRP HA 4.640 3.560 5.720 4.025 3.938 4.110 . 0 0 "[ . 1 . 2]" 1
1105 1 22 HIS H 1 51 TRP HA 4.350 2.930 5.770 4.542 4.475 4.607 . 0 0 "[ . 1 . 2]" 1
1106 1 23 ASN H 1 51 TRP HA 3.450 2.850 4.050 3.672 3.518 3.807 . 0 0 "[ . 1 . 2]" 1
1107 1 31 VAL QG 1 51 TRP HA 4.600 3.020 6.000 5.681 5.621 5.748 . 0 0 "[ . 1 . 2]" 1
1108 1 50 GLY HA3 1 51 TRP HA 4.590 3.010 6.000 4.422 4.398 4.437 . 0 0 "[ . 1 . 2]" 1
1109 1 51 TRP HA 1 51 TRP HB2 3.550 2.920 4.180 2.992 2.981 3.002 . 0 0 "[ . 1 . 2]" 1
1110 1 51 TRP HA 1 51 TRP HB3 3.200 2.430 3.970 2.641 2.622 2.657 . 0 0 "[ . 1 . 2]" 1
1111 1 51 TRP H 1 51 TRP HA 3.350 2.790 3.910 2.943 2.935 2.947 . 0 0 "[ . 1 . 2]" 1
1112 1 51 TRP HA 1 52 ALA MB 3.880 2.750 5.010 3.948 3.922 3.982 . 0 0 "[ . 1 . 2]" 1
1113 1 20 ASP HA 1 51 TRP HD1 4.750 3.060 6.000 5.770 5.655 5.856 . 0 0 "[ . 1 . 2]" 1
1114 1 20 ASP HB2 1 51 TRP HD1 3.700 2.330 5.070 4.706 4.577 4.869 . 0 0 "[ . 1 . 2]" 1
1115 1 21 VAL HA 1 51 TRP HD1 4.390 3.430 5.350 5.424 5.365 5.496 0.146 2 0 "[ . 1 . 2]" 1
1116 1 22 HIS QB 1 51 TRP HD1 2.930 2.290 3.570 2.217 2.161 2.255 0.129 6 0 "[ . 1 . 2]" 1
1117 1 22 HIS H 1 51 TRP HD1 4.520 3.500 5.540 4.211 4.133 4.310 . 0 0 "[ . 1 . 2]" 1
1118 1 50 GLY HA2 1 51 TRP HD1 3.280 2.740 3.820 3.824 3.742 3.868 0.048 12 0 "[ . 1 . 2]" 1
1119 1 50 GLY HA3 1 51 TRP HD1 3.930 3.160 4.700 4.671 4.604 4.710 0.010 3 0 "[ . 1 . 2]" 1
1120 1 51 TRP HA 1 51 TRP HD1 3.120 2.390 3.850 2.308 2.282 2.342 0.108 6 0 "[ . 1 . 2]" 1
1121 1 51 TRP HB2 1 51 TRP HD1 3.820 3.090 4.550 3.479 3.440 3.513 . 0 0 "[ . 1 . 2]" 1
1122 1 51 TRP HB3 1 51 TRP HD1 3.300 2.760 3.840 3.753 3.727 3.777 . 0 0 "[ . 1 . 2]" 1
1123 1 51 TRP H 1 51 TRP HD1 3.380 2.810 3.950 3.661 3.592 3.718 . 0 0 "[ . 1 . 2]" 1
1124 1 21 VAL H 1 51 TRP HE1 4.710 2.490 6.000 6.101 6.068 6.124 0.124 16 0 "[ . 1 . 2]" 1
1125 1 22 HIS HA 1 51 TRP HE1 5.160 2.500 6.000 3.408 3.271 3.480 . 0 0 "[ . 1 . 2]" 1
1126 1 51 TRP HA 1 51 TRP HE1 5.200 2.490 6.000 4.615 4.596 4.638 . 0 0 "[ . 1 . 2]" 1
1127 1 20 ASP HA 1 51 TRP HE3 3.700 3.010 4.390 3.932 3.774 4.050 . 0 0 "[ . 1 . 2]" 1
1128 1 21 VAL H 1 51 TRP HE3 4.320 3.390 5.250 5.209 5.012 5.292 0.042 3 0 "[ . 1 . 2]" 1
1129 1 22 HIS HB3 1 51 TRP HE3 4.240 2.440 6.000 6.154 6.087 6.220 0.220 5 0 "[ . 1 . 2]" 1
1130 1 51 TRP HA 1 51 TRP HE3 4.180 3.310 5.050 5.001 4.964 5.055 0.005 16 0 "[ . 1 . 2]" 1
1131 1 51 TRP HB2 1 51 TRP HE3 3.120 2.630 3.610 3.166 3.091 3.233 . 0 0 "[ . 1 . 2]" 1
1132 1 51 TRP HB3 1 51 TRP HE3 3.050 2.350 3.750 2.682 2.637 2.738 . 0 0 "[ . 1 . 2]" 1
1133 1 51 TRP HE3 1 52 ALA H 4.070 3.240 4.900 4.799 4.692 4.910 0.010 14 0 "[ . 1 . 2]" 1
1134 1 23 ASN H 1 51 TRP H 4.370 2.460 6.000 5.123 5.013 5.204 . 0 0 "[ . 1 . 2]" 1
1135 1 46 ILE QG 1 51 TRP H 3.310 2.760 3.860 3.898 3.856 3.960 0.100 16 0 "[ . 1 . 2]" 1
1136 1 50 GLY HA2 1 51 TRP H 2.380 2.100 2.660 2.613 2.575 2.660 . 0 0 "[ . 1 . 2]" 1
1137 1 50 GLY HA3 1 51 TRP H 2.810 2.420 3.200 2.456 2.401 2.512 0.019 13 0 "[ . 1 . 2]" 1
1138 1 51 TRP H 1 51 TRP HB2 3.240 2.450 4.030 2.457 2.412 2.501 0.038 3 0 "[ . 1 . 2]" 1
1139 1 51 TRP H 1 51 TRP HB3 3.790 3.070 4.510 3.616 3.581 3.638 . 0 0 "[ . 1 . 2]" 1
1140 1 20 ASP HA 1 51 TRP HZ2 5.490 3.230 6.000 6.046 6.010 6.087 0.087 15 0 "[ . 1 . 2]" 1
1141 1 20 ASP HB3 1 51 TRP HZ2 3.710 3.020 4.400 4.442 4.416 4.471 0.071 9 0 "[ . 1 . 2]" 1
1142 1 22 HIS HB3 1 51 TRP HZ2 4.200 2.880 5.520 4.067 3.984 4.150 . 0 0 "[ . 1 . 2]" 1
1143 1 31 VAL QG 1 52 ALA HA 4.380 . 6.000 5.187 5.086 5.297 . 0 0 "[ . 1 . 2]" 1
1144 1 31 VAL MG2 1 52 ALA HA 4.400 2.460 6.000 5.389 5.284 5.496 . 0 0 "[ . 1 . 2]" 1
1145 1 46 ILE MD 1 52 ALA HA 3.950 2.390 5.510 3.458 3.336 3.584 . 0 0 "[ . 1 . 2]" 1
1146 1 10 VAL MG1 1 52 ALA MB 1.940 . 6.000 5.621 5.462 5.870 . 0 0 "[ . 1 . 2]" 1
1147 1 21 VAL HB 1 52 ALA MB 3.720 2.680 4.760 4.248 4.162 4.335 . 0 0 "[ . 1 . 2]" 1
1148 1 21 VAL MG2 1 52 ALA MB 2.650 2.120 3.180 2.410 2.308 2.573 . 0 0 "[ . 1 . 2]" 1
1149 1 44 ARG HD3 1 52 ALA MB 2.910 2.060 3.760 3.676 2.743 3.887 0.127 20 0 "[ . 1 . 2]" 1
1150 1 46 ILE HB 1 52 ALA MB 2.060 . 6.000 4.237 4.162 4.335 . 0 0 "[ . 1 . 2]" 1
1151 1 46 ILE MD 1 52 ALA MB 2.220 . 2.590 1.799 1.765 1.820 0.085 4 0 "[ . 1 . 2]" 1
1152 1 52 ALA HA 1 52 ALA MB 2.390 2.100 2.680 2.142 2.134 2.148 . 0 0 "[ . 1 . 2]" 1
1153 1 52 ALA MB 1 53 THR H 3.840 3.100 4.580 3.281 3.188 3.359 . 0 0 "[ . 1 . 2]" 1
1154 1 52 ALA MB 1 67 LEU MD1 3.860 2.740 4.980 5.034 4.982 5.107 0.127 20 0 "[ . 1 . 2]" 1
1155 1 19 THR MG 1 52 ALA H 5.110 2.500 6.000 5.657 5.401 5.773 . 0 0 "[ . 1 . 2]" 1
1156 1 20 ASP HB2 1 52 ALA H 4.710 2.490 6.000 4.884 4.749 5.088 . 0 0 "[ . 1 . 2]" 1
1157 1 21 VAL MG1 1 52 ALA H 3.130 2.150 4.110 2.686 2.569 2.793 . 0 0 "[ . 1 . 2]" 1
1158 1 21 VAL MG2 1 52 ALA H 3.940 3.160 4.720 3.097 3.078 3.120 0.082 18 0 "[ . 1 . 2]" 1
1159 1 22 HIS HA 1 52 ALA H 4.100 3.260 4.940 4.518 4.464 4.592 . 0 0 "[ . 1 . 2]" 1
1160 1 22 HIS H 1 52 ALA H 2.720 . 6.000 5.181 5.097 5.230 . 0 0 "[ . 1 . 2]" 1
1161 1 46 ILE MD 1 52 ALA H 3.600 2.950 4.250 3.051 2.947 3.148 0.003 4 0 "[ . 1 . 2]" 1
1162 1 51 TRP HA 1 52 ALA H 2.510 2.200 2.820 2.328 2.298 2.362 . 0 0 "[ . 1 . 2]" 1
1163 1 51 TRP HB2 1 52 ALA H 4.430 3.450 5.410 3.789 3.768 3.821 . 0 0 "[ . 1 . 2]" 1
1164 1 51 TRP HB3 1 52 ALA H 3.190 2.430 3.950 2.410 2.375 2.438 0.055 7 0 "[ . 1 . 2]" 1
1165 1 51 TRP HD1 1 52 ALA H 4.390 2.460 6.000 4.372 4.342 4.437 . 0 0 "[ . 1 . 2]" 1
1166 1 51 TRP H 1 52 ALA H 4.350 2.930 5.770 4.441 4.428 4.455 . 0 0 "[ . 1 . 2]" 1
1167 1 52 ALA H 1 52 ALA HA 3.150 2.650 3.650 2.906 2.896 2.914 . 0 0 "[ . 1 . 2]" 1
1168 1 52 ALA H 1 52 ALA MB 2.880 2.470 3.290 2.617 2.569 2.658 . 0 0 "[ . 1 . 2]" 1
1169 1 52 ALA H 1 53 THR HA 4.150 2.430 5.870 4.350 4.313 4.385 . 0 0 "[ . 1 . 2]" 1
1170 1 52 ALA H 1 53 THR HB 5.240 2.490 6.000 6.097 6.042 6.156 0.156 18 0 "[ . 1 . 2]" 1
1171 1 52 ALA H 1 53 THR MG 4.400 2.460 6.000 5.898 5.836 5.970 . 0 0 "[ . 1 . 2]" 1
1172 1 18 TYR QD 1 53 THR HA 3.940 2.770 5.110 3.626 3.264 3.947 . 0 0 "[ . 1 . 2]" 1
1173 1 19 THR HB 1 53 THR HA 4.910 3.100 6.000 4.801 4.655 4.931 . 0 0 "[ . 1 . 2]" 1
1174 1 20 ASP HB2 1 53 THR HA 2.800 . 6.000 5.775 5.570 5.911 . 0 0 "[ . 1 . 2]" 1
1175 1 21 VAL MG1 1 53 THR HA 3.900 3.140 4.660 4.203 4.116 4.293 . 0 0 "[ . 1 . 2]" 1
1176 1 52 ALA MB 1 53 THR HA 5.130 3.150 6.000 4.439 4.397 4.484 . 0 0 "[ . 1 . 2]" 1
1177 1 53 THR HA 1 53 THR MG 2.930 2.290 3.570 2.391 2.359 2.432 . 0 0 "[ . 1 . 2]" 1
1178 1 53 THR H 1 53 THR HA 3.540 2.600 4.480 2.891 2.874 2.917 . 0 0 "[ . 1 . 2]" 1
1179 1 53 THR HA 1 54 PHE QE 4.110 2.420 5.800 5.483 5.391 5.559 . 0 0 "[ . 1 . 2]" 1
1180 1 53 THR HA 1 64 VAL MG1 6.000 . 6.000 6.316 6.239 6.370 0.370 3 0 "[ . 1 . 2]" 1
1181 1 53 THR HA 1 53 THR HB 3.780 2.710 4.850 3.026 3.020 3.030 . 0 0 "[ . 1 . 2]" 1
1182 1 18 TYR HB3 1 53 THR MG 2.430 . 6.000 4.541 4.386 4.674 . 0 0 "[ . 1 . 2]" 1
1183 1 18 TYR QD 1 53 THR MG 3.310 2.490 4.130 2.967 2.789 3.109 . 0 0 "[ . 1 . 2]" 1
1184 1 19 THR H 1 53 THR MG 4.010 2.800 5.220 3.686 3.506 3.826 . 0 0 "[ . 1 . 2]" 1
1185 1 20 ASP HA 1 53 THR MG 4.540 3.000 6.000 4.680 4.542 4.808 . 0 0 "[ . 1 . 2]" 1
1186 1 53 THR HB 1 53 THR MG 2.590 2.090 3.090 2.136 2.131 2.142 . 0 0 "[ . 1 . 2]" 1
1187 1 53 THR MG 1 55 ALA MB 4.840 . 6.000 4.948 4.776 5.074 . 0 0 "[ . 1 . 2]" 1
1188 1 53 THR MG 1 64 VAL MG1 3.880 . 6.000 5.917 5.796 5.991 . 0 0 "[ . 1 . 2]" 1
1189 1 20 ASP HA 1 53 THR H 4.820 2.490 6.000 5.338 5.150 5.500 . 0 0 "[ . 1 . 2]" 1
1190 1 52 ALA HA 1 53 THR H 2.540 2.060 3.020 2.113 2.091 2.152 . 0 0 "[ . 1 . 2]" 1
1191 1 52 ALA H 1 53 THR H 4.440 2.470 6.000 3.958 3.890 4.056 . 0 0 "[ . 1 . 2]" 1
1192 1 53 THR H 1 53 THR HB 3.120 2.390 3.850 2.470 2.424 2.521 . 0 0 "[ . 1 . 2]" 1
1193 1 53 THR H 1 53 THR MG 4.420 3.440 5.400 3.753 3.741 3.770 . 0 0 "[ . 1 . 2]" 1
1194 1 53 THR H 1 54 PHE QE 5.000 2.500 6.000 5.032 4.910 5.158 . 0 0 "[ . 1 . 2]" 1
1195 1 53 THR MG 1 54 PHE HA 3.830 . 6.000 3.512 3.379 3.637 . 0 0 "[ . 1 . 2]" 1
1196 1 19 THR HB 1 54 PHE HB2 2.470 2.160 2.780 2.146 2.052 2.205 0.108 2 0 "[ . 1 . 2]" 1
1197 1 19 THR MG 1 54 PHE HB2 2.420 . 2.860 2.549 2.367 2.869 0.009 2 0 "[ . 1 . 2]" 1
1198 1 21 VAL MG1 1 54 PHE HB2 2.930 2.070 3.790 3.769 3.693 3.820 0.030 10 0 "[ . 1 . 2]" 1
1199 1 54 PHE HB2 1 67 LEU MD1 4.960 . 6.000 6.107 6.038 6.183 0.183 3 0 "[ . 1 . 2]" 1
1200 1 54 PHE HB2 1 67 LEU MD2 3.940 2.390 5.490 5.399 5.264 5.524 0.034 4 0 "[ . 1 . 2]" 1
1201 1 54 PHE HA 1 54 PHE HB3 2.910 2.270 3.550 2.521 2.505 2.534 . 0 0 "[ . 1 . 2]" 1
1202 1 54 PHE H 1 54 PHE HB3 4.250 2.900 5.600 3.874 3.839 3.907 . 0 0 "[ . 1 . 2]" 1
1203 1 12 TYR QE 1 54 PHE QD 2.750 . 6.000 6.178 6.030 6.307 0.307 14 0 "[ . 1 . 2]" 1
1204 1 19 THR HB 1 54 PHE QD 4.410 2.950 5.870 3.818 3.574 3.889 . 0 0 "[ . 1 . 2]" 1
1205 1 19 THR MG 1 54 PHE QD 3.750 2.700 4.800 2.746 2.618 2.966 0.082 16 0 "[ . 1 . 2]" 1
1206 1 21 VAL HB 1 54 PHE QD 3.380 2.240 4.520 4.546 4.473 4.584 0.064 10 0 "[ . 1 . 2]" 1
1207 1 21 VAL MG2 1 54 PHE QD 3.720 3.030 4.410 4.400 4.317 4.452 0.042 14 0 "[ . 1 . 2]" 1
1208 1 32 THR HA 1 54 PHE QD 3.690 . 6.000 5.679 5.548 5.787 . 0 0 "[ . 1 . 2]" 1
1209 1 33 VAL MG2 1 54 PHE QD 3.270 2.470 4.070 2.583 2.554 2.628 . 0 0 "[ . 1 . 2]" 1
1210 1 41 ALA MB 1 54 PHE QD 2.690 2.150 3.230 2.143 2.070 2.331 0.080 2 0 "[ . 1 . 2]" 1
1211 1 44 ARG QB 1 54 PHE QD 3.860 2.740 4.980 4.768 4.631 5.000 0.020 20 0 "[ . 1 . 2]" 1
1212 1 44 ARG HG3 1 54 PHE QD 4.680 . 6.000 5.037 4.242 5.626 . 0 0 "[ . 1 . 2]" 1
1213 1 52 ALA MB 1 54 PHE QD 3.370 2.800 3.940 3.441 3.341 3.521 . 0 0 "[ . 1 . 2]" 1
1214 1 53 THR HA 1 54 PHE QD 3.710 2.680 4.740 4.437 4.340 4.520 . 0 0 "[ . 1 . 2]" 1
1215 1 54 PHE HA 1 54 PHE QD 3.240 2.450 4.030 2.321 2.285 2.352 0.165 2 0 "[ . 1 . 2]" 1
1216 1 54 PHE HB2 1 54 PHE QD 2.880 2.260 3.500 2.272 2.256 2.290 0.004 5 0 "[ . 1 . 2]" 1
1217 1 54 PHE HB3 1 54 PHE QD 3.280 2.470 4.090 2.638 2.618 2.665 . 0 0 "[ . 1 . 2]" 1
1218 1 54 PHE QD 1 55 ALA MB 4.330 3.390 5.270 4.978 4.894 5.082 . 0 0 "[ . 1 . 2]" 1
1219 1 54 PHE QD 1 64 VAL MG1 4.060 3.240 4.880 4.066 3.940 4.196 . 0 0 "[ . 1 . 2]" 1
1220 1 54 PHE QD 1 67 LEU MD1 5.040 3.130 6.000 4.641 4.560 4.764 . 0 0 "[ . 1 . 2]" 1
1221 1 54 PHE QD 1 67 LEU MD2 4.520 2.990 6.000 3.759 3.615 3.895 . 0 0 "[ . 1 . 2]" 1
1222 1 10 VAL MG2 1 54 PHE QE 4.690 . 6.000 4.975 4.898 5.063 . 0 0 "[ . 1 . 2]" 1
1223 1 21 VAL HB 1 54 PHE QE 3.860 3.110 4.610 4.433 4.356 4.563 . 0 0 "[ . 1 . 2]" 1
1224 1 21 VAL MG2 1 54 PHE QE 4.270 3.360 5.180 3.307 3.240 3.407 0.120 18 0 "[ . 1 . 2]" 1
1225 1 31 VAL QG 1 54 PHE QE 3.110 2.140 4.080 2.510 2.472 2.546 . 0 0 "[ . 1 . 2]" 1
1226 1 31 VAL MG2 1 54 PHE QE 3.480 2.570 4.390 2.519 2.482 2.557 0.088 18 0 "[ . 1 . 2]" 1
1227 1 32 THR HA 1 54 PHE QE 4.070 3.240 4.900 4.396 4.217 4.550 . 0 0 "[ . 1 . 2]" 1
1228 1 33 VAL MG1 1 54 PHE QE 3.770 2.700 4.840 3.734 3.590 3.837 . 0 0 "[ . 1 . 2]" 1
1229 1 33 VAL MG2 1 54 PHE QE 3.210 2.700 3.720 2.871 2.851 2.901 . 0 0 "[ . 1 . 2]" 1
1230 1 41 ALA MB 1 54 PHE QE 2.830 2.430 3.230 2.707 2.423 3.008 0.007 2 0 "[ . 1 . 2]" 1
1231 1 44 ARG HG2 1 54 PHE QE 4.420 . 6.000 3.950 2.900 4.722 . 0 0 "[ . 1 . 2]" 1
1232 1 52 ALA MB 1 54 PHE QE 2.720 . 3.460 2.195 2.116 2.270 . 0 0 "[ . 1 . 2]" 1
1233 1 54 PHE HA 1 54 PHE QE 3.660 2.990 4.330 4.396 4.368 4.434 0.104 5 0 "[ . 1 . 2]" 1
1234 1 54 PHE HB2 1 54 PHE QE 3.380 2.240 4.520 4.363 4.346 4.377 . 0 0 "[ . 1 . 2]" 1
1235 1 54 PHE QE 1 55 ALA H 2.600 . 6.000 5.863 5.780 5.948 . 0 0 "[ . 1 . 2]" 1
1236 1 54 PHE QE 1 64 VAL MG1 3.060 . 6.000 5.777 5.650 5.904 . 0 0 "[ . 1 . 2]" 1
1237 1 54 PHE QE 1 67 LEU MD1 4.980 2.500 6.000 4.580 4.456 4.747 . 0 0 "[ . 1 . 2]" 1
1238 1 54 PHE QE 1 67 LEU MD2 4.250 2.890 5.610 3.151 2.994 3.321 . 0 0 "[ . 1 . 2]" 1
1239 1 18 TYR HB2 1 54 PHE H 2.820 . 6.000 6.196 6.131 6.256 0.256 6 0 "[ . 1 . 2]" 1
1240 1 18 TYR H 1 54 PHE H 5.060 2.500 6.000 6.142 6.100 6.199 0.199 2 0 "[ . 1 . 2]" 1
1241 1 19 THR HB 1 54 PHE H 3.310 2.490 4.130 3.010 2.926 3.117 . 0 0 "[ . 1 . 2]" 1
1242 1 19 THR MG 1 54 PHE H 3.440 2.250 4.630 3.839 3.715 4.075 . 0 0 "[ . 1 . 2]" 1
1243 1 20 ASP HA 1 54 PHE H 3.930 3.160 4.700 4.400 4.273 4.543 . 0 0 "[ . 1 . 2]" 1
1244 1 20 ASP H 1 54 PHE H 2.820 . 6.000 5.099 5.000 5.182 . 0 0 "[ . 1 . 2]" 1
1245 1 53 THR HA 1 54 PHE H 2.460 . 2.920 2.122 2.091 2.142 . 0 0 "[ . 1 . 2]" 1
1246 1 53 THR HB 1 54 PHE H 4.420 2.960 5.880 4.116 4.055 4.166 . 0 0 "[ . 1 . 2]" 1
1247 1 53 THR MG 1 54 PHE H 3.170 2.420 3.920 2.632 2.534 2.720 . 0 0 "[ . 1 . 2]" 1
1248 1 54 PHE H 1 54 PHE HA 3.480 2.870 4.090 2.920 2.912 2.929 . 0 0 "[ . 1 . 2]" 1
1249 1 54 PHE H 1 54 PHE HB2 3.240 2.710 3.770 2.805 2.749 2.854 . 0 0 "[ . 1 . 2]" 1
1250 1 54 PHE H 1 54 PHE QD 4.140 3.280 5.000 3.771 3.723 3.829 . 0 0 "[ . 1 . 2]" 1
1251 1 54 PHE H 1 54 PHE QE 3.880 2.370 5.390 5.403 5.368 5.447 0.057 6 0 "[ . 1 . 2]" 1
1252 1 18 TYR HA 1 55 ALA MB 4.870 2.500 6.000 5.616 5.411 5.718 . 0 0 "[ . 1 . 2]" 1
1253 1 19 THR HB 1 55 ALA MB 3.970 2.390 5.550 5.337 5.236 5.560 0.010 2 0 "[ . 1 . 2]" 1
1254 1 35 TYR QE 1 55 ALA MB 3.490 2.880 4.100 2.909 2.800 3.154 0.080 10 0 "[ . 1 . 2]" 1
1255 1 55 ALA HA 1 55 ALA MB 2.390 . 2.820 2.132 2.124 2.144 . 0 0 "[ . 1 . 2]" 1
1256 1 55 ALA H 1 55 ALA MB 3.120 2.140 4.100 2.237 2.219 2.255 . 0 0 "[ . 1 . 2]" 1
1257 1 55 ALA MB 1 62 ASN HA 3.780 . 6.000 5.734 4.976 6.045 0.045 7 0 "[ . 1 . 2]" 1
1258 1 19 THR HB 1 55 ALA H 4.780 2.490 6.000 4.673 4.509 4.905 . 0 0 "[ . 1 . 2]" 1
1259 1 19 THR MG 1 55 ALA H 5.040 3.140 6.000 5.581 5.409 5.920 . 0 0 "[ . 1 . 2]" 1
1260 1 54 PHE HA 1 55 ALA H 3.180 2.170 4.190 2.226 2.148 2.311 0.022 1 0 "[ . 1 . 2]" 1
1261 1 54 PHE HB2 1 55 ALA H 4.630 . 6.000 3.998 3.856 4.137 . 0 0 "[ . 1 . 2]" 1
1262 1 54 PHE HB3 1 55 ALA H 3.770 2.350 5.190 2.905 2.677 3.120 . 0 0 "[ . 1 . 2]" 1
1263 1 55 ALA H 1 55 ALA HA 3.870 2.370 5.370 2.779 2.740 2.822 . 0 0 "[ . 1 . 2]" 1
1264 1 19 THR HA 1 56 GLY HA2 4.140 2.430 5.850 4.534 4.288 4.759 . 0 0 "[ . 1 . 2]" 1
1265 1 56 GLY H 1 56 GLY HA3 2.760 2.190 3.330 2.297 2.273 2.307 . 0 0 "[ . 1 . 2]" 1
1266 1 18 TYR HA 1 56 GLY H 3.490 2.880 4.100 3.258 3.074 3.510 . 0 0 "[ . 1 . 2]" 1
1267 1 18 TYR HB3 1 56 GLY H 2.810 . 6.000 5.668 5.480 5.840 . 0 0 "[ . 1 . 2]" 1
1268 1 18 TYR H 1 56 GLY H 3.660 2.320 5.000 3.514 3.379 3.673 . 0 0 "[ . 1 . 2]" 1
1269 1 19 THR MG 1 56 GLY H 5.100 2.500 6.000 5.441 5.304 5.613 . 0 0 "[ . 1 . 2]" 1
1270 1 19 THR H 1 56 GLY H 3.540 2.290 4.790 3.008 2.810 3.255 . 0 0 "[ . 1 . 2]" 1
1271 1 55 ALA HA 1 56 GLY H 2.630 2.110 3.150 2.141 2.099 2.184 0.011 1 0 "[ . 1 . 2]" 1
1272 1 55 ALA MB 1 56 GLY H 4.500 3.490 5.510 3.454 3.393 3.512 0.097 12 0 "[ . 1 . 2]" 1
1273 1 56 GLY H 1 57 TYR H 4.390 2.470 6.000 4.536 4.342 4.636 . 0 0 "[ . 1 . 2]" 1
1274 1 57 TYR HA 1 62 ASN HB2 3.560 2.290 4.830 4.764 3.875 4.953 0.123 11 0 "[ . 1 . 2]" 1
1275 1 57 TYR HA 1 64 VAL MG1 4.160 2.430 5.890 5.096 4.822 5.360 . 0 0 "[ . 1 . 2]" 1
1276 1 57 TYR HA 1 57 TYR HB2 2.660 2.130 3.190 2.397 2.335 2.498 . 0 0 "[ . 1 . 2]" 1
1277 1 57 TYR HB2 1 64 VAL MG1 5.040 2.500 6.000 6.145 6.072 6.244 0.244 13 0 "[ . 1 . 2]" 1
1278 1 57 TYR HA 1 57 TYR HB3 2.770 2.390 3.150 2.480 2.379 2.550 0.011 1 0 "[ . 1 . 2]" 1
1279 1 14 GLN HA 1 57 TYR QD 2.910 . 6.000 4.791 4.342 5.285 . 0 0 "[ . 1 . 2]" 1
1280 1 14 GLN QB 1 57 TYR QD 3.730 . 5.470 2.569 2.236 3.010 . 0 0 "[ . 1 . 2]" 1
1281 1 57 TYR HA 1 57 TYR QD 4.450 3.460 5.440 3.739 3.702 3.765 . 0 0 "[ . 1 . 2]" 1
1282 1 57 TYR HB2 1 57 TYR QD 2.720 2.350 3.090 2.313 2.280 2.363 0.070 8 0 "[ . 1 . 2]" 1
1283 1 57 TYR HB3 1 57 TYR QD 2.960 2.520 3.400 2.578 2.479 2.659 0.041 2 0 "[ . 1 . 2]" 1
1284 1 57 TYR QD 1 63 TYR HB2 4.120 2.850 5.390 3.927 3.658 4.338 . 0 0 "[ . 1 . 2]" 1
1285 1 57 TYR HA 1 57 TYR QE 2.450 . 6.000 5.681 5.662 5.697 . 0 0 "[ . 1 . 2]" 1
1286 1 57 TYR HB2 1 57 TYR QE 4.580 . 6.000 4.398 4.375 4.420 . 0 0 "[ . 1 . 2]" 1
1287 1 15 SER H 1 57 TYR H 2.780 . 6.000 5.715 4.534 6.076 0.076 9 0 "[ . 1 . 2]" 1
1288 1 19 THR HB 1 57 TYR H 5.140 . 6.000 6.138 6.034 6.223 0.223 7 0 "[ . 1 . 2]" 1
1289 1 56 GLY HA2 1 57 TYR H 3.550 2.920 4.180 2.724 2.639 2.862 0.281 15 0 "[ . 1 . 2]" 1
1290 1 56 GLY HA3 1 57 TYR H 2.870 2.460 3.280 2.554 2.318 2.721 0.142 1 0 "[ . 1 . 2]" 1
1291 1 57 TYR H 1 57 TYR HA 2.990 2.540 3.440 2.889 2.864 2.915 . 0 0 "[ . 1 . 2]" 1
1292 1 57 TYR H 1 57 TYR HB2 4.190 3.310 5.070 3.655 3.575 3.705 . 0 0 "[ . 1 . 2]" 1
1293 1 57 TYR H 1 57 TYR HB3 3.560 2.610 4.510 2.672 2.577 2.794 0.033 17 0 "[ . 1 . 2]" 1
1294 1 57 TYR H 1 57 TYR QD 1.670 . 2.200 1.795 1.495 2.217 0.035 13 0 "[ . 1 . 2]" 1
1295 1 57 TYR H 1 57 TYR QE 3.620 2.960 4.280 3.936 3.707 4.215 . 0 0 "[ . 1 . 2]" 1
1296 1 57 TYR H 1 63 TYR HB2 3.840 3.100 4.580 4.494 4.302 4.692 0.112 18 0 "[ . 1 . 2]" 1
1297 1 56 GLY H 1 58 GLY H 4.380 2.460 6.000 5.135 4.197 6.119 0.119 2 0 "[ . 1 . 2]" 1
1298 1 57 TYR HA 1 58 GLY H 3.190 2.170 4.210 2.294 2.096 2.782 0.074 12 0 "[ . 1 . 2]" 1
1299 1 57 TYR HB2 1 58 GLY H 4.580 2.490 6.000 4.047 3.224 4.474 . 0 0 "[ . 1 . 2]" 1
1300 1 57 TYR HB3 1 58 GLY H 5.200 . 6.000 4.529 4.244 4.641 . 0 0 "[ . 1 . 2]" 1
1301 1 57 TYR H 1 58 GLY H 3.650 2.990 4.310 3.903 3.232 4.431 0.121 2 0 "[ . 1 . 2]" 1
1302 1 58 GLY H 1 58 GLY HA3 3.240 2.190 4.290 2.447 2.290 2.899 . 0 0 "[ . 1 . 2]" 1
1303 1 58 GLY H 1 58 GLY HA2 2.880 2.050 3.710 2.875 2.670 2.959 . 0 0 "[ . 1 . 2]" 1
1304 1 58 GLY H 1 59 THR HA 4.330 2.450 6.000 5.362 4.294 6.225 0.225 3 0 "[ . 1 . 2]" 1
1305 1 58 GLY H 1 61 GLY HA3 3.720 . 6.000 4.802 3.235 6.131 0.131 8 0 "[ . 1 . 2]" 1
1306 1 58 GLY H 1 62 ASN HB2 3.080 . 6.000 5.424 3.777 6.122 0.122 15 0 "[ . 1 . 2]" 1
1307 1 58 GLY HA3 1 59 THR H 3.900 2.380 5.420 2.719 2.303 3.350 0.077 12 0 "[ . 1 . 2]" 1
1308 1 58 GLY HA2 1 59 THR H 4.130 2.420 5.840 2.884 2.180 3.556 0.240 3 0 "[ . 1 . 2]" 1
1309 1 59 THR H 1 59 THR HA 4.270 2.450 6.000 2.770 2.273 2.944 0.177 3 0 "[ . 1 . 2]" 1
1310 1 60 ASP HA 1 60 ASP HB2 3.510 2.890 4.130 2.924 2.569 3.050 0.321 1 0 "[ . 1 . 2]" 1
1311 1 60 ASP HA 1 60 ASP HB3 2.830 2.430 3.230 2.569 2.361 3.037 0.069 11 0 "[ . 1 . 2]" 1
1312 1 59 THR HA 1 60 ASP H 3.380 2.240 4.520 2.750 2.159 3.553 0.081 19 0 "[ . 1 . 2]" 1
1313 1 59 THR H 1 60 ASP H 3.760 2.350 5.170 3.383 2.281 4.608 0.069 15 0 "[ . 1 . 2]" 1
1314 1 60 ASP H 1 60 ASP HB2 4.050 3.230 4.870 3.452 3.027 3.672 0.203 5 0 "[ . 1 . 2]" 1
1315 1 60 ASP H 1 60 ASP HB3 4.660 3.030 6.000 3.890 2.958 4.130 0.072 1 0 "[ . 1 . 2]" 1
1316 1 60 ASP H 1 61 GLY HA2 4.770 . 6.000 5.195 4.591 6.038 0.038 15 0 "[ . 1 . 2]" 1
1317 1 60 ASP H 1 61 GLY HA3 4.580 2.480 6.000 4.912 4.192 5.327 . 0 0 "[ . 1 . 2]" 1
1318 1 60 ASP H 1 61 GLY H 3.620 2.310 4.930 2.948 2.318 4.392 . 0 0 "[ . 1 . 2]" 1
1319 1 61 GLY H 1 61 GLY HA2 3.420 2.540 4.300 2.736 2.339 2.956 0.201 10 0 "[ . 1 . 2]" 1
1320 1 61 GLY HA2 1 62 ASN H 3.850 3.110 4.590 3.210 2.980 3.503 0.130 2 0 "[ . 1 . 2]" 1
1321 1 61 GLY H 1 61 GLY HA3 3.460 2.260 4.660 2.638 2.300 2.959 . 0 0 "[ . 1 . 2]" 1
1322 1 60 ASP HA 1 61 GLY H 3.480 2.270 4.690 2.929 2.203 3.540 0.067 4 0 "[ . 1 . 2]" 1
1323 1 61 GLY H 1 62 ASN HA 3.700 . 6.000 5.126 4.376 6.008 0.008 16 0 "[ . 1 . 2]" 1
1324 1 62 ASN HA 1 62 ASN HB2 2.810 2.220 3.400 3.020 3.000 3.042 . 0 0 "[ . 1 . 2]" 1
1325 1 36 THR MG 1 62 ASN HB3 6.000 . 6.000 5.072 3.252 6.125 0.125 16 0 "[ . 1 . 2]" 1
1326 1 37 HIS HD2 1 62 ASN HB3 3.510 2.900 4.120 3.964 3.016 4.294 0.174 16 0 "[ . 1 . 2]" 1
1327 1 62 ASN HA 1 62 ASN HB3 2.540 . 3.350 2.451 2.322 2.556 . 0 0 "[ . 1 . 2]" 1
1328 1 35 TYR HB3 1 62 ASN HD21 4.120 . 6.000 4.795 3.307 5.634 . 0 0 "[ . 1 . 2]" 1
1329 1 37 HIS HB3 1 62 ASN HD21 4.040 2.410 5.670 4.374 2.994 5.349 . 0 0 "[ . 1 . 2]" 1
1330 1 37 HIS HD2 1 62 ASN HD21 3.670 2.330 5.010 3.272 2.258 5.082 0.072 17 0 "[ . 1 . 2]" 1
1331 1 39 GLN HB2 1 62 ASN HD21 3.940 . 6.000 4.880 1.615 6.085 0.085 2 0 "[ . 1 . 2]" 1
1332 1 39 GLN HG2 1 62 ASN HD21 4.510 . 6.000 3.888 2.047 5.279 . 0 0 "[ . 1 . 2]" 1
1333 1 62 ASN HA 1 62 ASN HD21 3.290 . 6.000 2.724 1.892 4.561 . 0 0 "[ . 1 . 2]" 1
1334 1 62 ASN HB2 1 62 ASN HD21 3.610 2.960 4.260 3.115 2.555 3.582 0.405 9 0 "[ . 1 . 2]" 1
1335 1 62 ASN HB3 1 62 ASN HD21 3.210 2.700 3.720 3.198 2.420 3.640 0.280 20 0 "[ . 1 . 2]" 1
1336 1 35 TYR HB2 1 62 ASN HD22 2.750 . 6.000 5.290 4.225 5.868 . 0 0 "[ . 1 . 2]" 1
1337 1 35 TYR HB3 1 62 ASN HD22 2.650 . 6.000 5.377 4.694 5.949 . 0 0 "[ . 1 . 2]" 1
1338 1 37 HIS HB2 1 62 ASN HD22 3.970 2.400 5.540 2.587 2.324 3.214 0.076 19 0 "[ . 1 . 2]" 1
1339 1 37 HIS HB3 1 62 ASN HD22 4.080 3.250 4.910 3.607 3.238 4.338 0.012 10 0 "[ . 1 . 2]" 1
1340 1 37 HIS HD2 1 62 ASN HD22 4.900 . 6.000 3.931 3.312 4.784 . 0 0 "[ . 1 . 2]" 1
1341 1 37 HIS H 1 62 ASN HD22 5.030 2.500 6.000 4.624 4.108 5.341 . 0 0 "[ . 1 . 2]" 1
1342 1 39 GLN HA 1 62 ASN HD22 2.860 . 6.000 5.031 3.205 5.981 . 0 0 "[ . 1 . 2]" 1
1343 1 39 GLN HB2 1 62 ASN HD22 3.830 2.370 5.290 4.528 2.974 5.300 0.010 16 0 "[ . 1 . 2]" 1
1344 1 62 ASN HA 1 62 ASN HD22 4.840 2.490 6.000 3.903 3.495 4.782 . 0 0 "[ . 1 . 2]" 1
1345 1 62 ASN HB3 1 62 ASN HD22 4.070 2.830 5.310 3.924 3.591 4.108 . 0 0 "[ . 1 . 2]" 1
1346 1 35 TYR HB2 1 62 ASN H 5.480 2.470 6.000 6.193 6.053 6.263 0.263 8 0 "[ . 1 . 2]" 1
1347 1 36 THR HB 1 62 ASN H 4.850 2.500 6.000 5.034 3.149 5.517 . 0 0 "[ . 1 . 2]" 1
1348 1 36 THR MG 1 62 ASN H 5.350 2.490 6.000 5.687 3.555 6.177 0.177 19 0 "[ . 1 . 2]" 1
1349 1 57 TYR HB2 1 62 ASN H 3.770 . 6.000 5.679 5.022 6.041 0.041 12 0 "[ . 1 . 2]" 1
1350 1 61 GLY HA3 1 62 ASN H 3.020 2.110 3.930 2.371 2.114 3.491 . 0 0 "[ . 1 . 2]" 1
1351 1 61 GLY H 1 62 ASN H 3.790 2.360 5.220 3.723 2.257 4.411 0.103 12 0 "[ . 1 . 2]" 1
1352 1 62 ASN H 1 62 ASN HA 2.780 2.010 3.550 2.774 2.237 2.941 . 0 0 "[ . 1 . 2]" 1
1353 1 62 ASN H 1 62 ASN HB2 2.810 2.020 3.600 2.768 2.400 3.589 . 0 0 "[ . 1 . 2]" 1
1354 1 62 ASN H 1 62 ASN HB3 3.160 2.160 4.160 3.743 3.553 4.058 . 0 0 "[ . 1 . 2]" 1
1355 1 63 TYR HA 1 63 TYR HB3 3.420 2.250 4.590 3.028 3.016 3.040 . 0 0 "[ . 1 . 2]" 1
1356 1 63 TYR HA 1 63 TYR HB2 3.300 2.210 4.390 2.412 2.364 2.487 . 0 0 "[ . 1 . 2]" 1
1357 1 36 THR HA 1 63 TYR H 5.240 2.490 6.000 4.480 4.137 5.270 . 0 0 "[ . 1 . 2]" 1
1358 1 36 THR HB 1 63 TYR H 2.880 2.050 3.710 2.263 1.938 2.981 0.112 9 0 "[ . 1 . 2]" 1
1359 1 36 THR MG 1 63 TYR H 4.480 3.480 5.480 3.873 3.518 4.547 . 0 0 "[ . 1 . 2]" 1
1360 1 36 THR H 1 63 TYR H 3.310 2.210 4.410 2.390 2.144 3.670 0.066 5 0 "[ . 1 . 2]" 1
1361 1 61 GLY HA3 1 63 TYR H 2.840 . 6.000 5.675 3.252 6.203 0.203 7 0 "[ . 1 . 2]" 1
1362 1 62 ASN HA 1 63 TYR H 2.290 . 6.000 2.522 2.117 3.391 . 0 0 "[ . 1 . 2]" 1
1363 1 63 TYR H 1 63 TYR HB2 3.420 2.540 4.300 3.313 2.498 3.687 0.042 16 0 "[ . 1 . 2]" 1
1364 1 63 TYR H 1 63 TYR HB3 3.110 2.630 3.590 2.774 2.505 3.298 0.125 16 0 "[ . 1 . 2]" 1
1365 1 63 TYR H 1 64 VAL H 4.060 2.410 5.710 4.019 3.520 4.478 . 0 0 "[ . 1 . 2]" 1
1366 1 35 TYR HA 1 64 VAL HA 1.900 . 2.350 1.922 1.653 2.073 . 0 0 "[ . 1 . 2]" 1
1367 1 64 VAL HA 1 64 VAL HB 2.350 . 2.770 2.233 2.226 2.245 . 0 0 "[ . 1 . 2]" 1
1368 1 64 VAL HB 1 64 VAL MG1 2.390 . 2.820 2.135 2.127 2.144 . 0 0 "[ . 1 . 2]" 1
1369 1 19 THR HA 1 64 VAL MG1 4.490 3.480 5.500 4.201 4.095 4.283 . 0 0 "[ . 1 . 2]" 1
1370 1 19 THR HB 1 64 VAL MG1 3.220 2.180 4.260 2.359 2.207 2.464 . 0 0 "[ . 1 . 2]" 1
1371 1 19 THR MG 1 64 VAL MG1 1.900 . 2.200 2.014 1.794 2.233 0.033 5 0 "[ . 1 . 2]" 1
1372 1 35 TYR HA 1 64 VAL MG1 4.350 2.460 6.000 4.128 3.981 4.276 . 0 0 "[ . 1 . 2]" 1
1373 1 35 TYR QE 1 64 VAL MG1 2.680 2.140 3.220 2.074 1.999 2.121 0.141 13 0 "[ . 1 . 2]" 1
1374 1 57 TYR QD 1 64 VAL MG1 2.680 . 6.000 4.789 4.449 5.239 . 0 0 "[ . 1 . 2]" 1
1375 1 63 TYR HA 1 64 VAL MG1 3.900 2.380 5.420 3.352 3.230 3.428 . 0 0 "[ . 1 . 2]" 1
1376 1 63 TYR HB3 1 64 VAL MG1 4.660 2.490 6.000 5.412 5.261 5.533 . 0 0 "[ . 1 . 2]" 1
1377 1 64 VAL HA 1 64 VAL MG1 3.130 2.640 3.620 2.922 2.883 2.993 . 0 0 "[ . 1 . 2]" 1
1378 1 14 GLN HA 1 64 VAL MG2 2.750 . 6.000 5.524 5.142 5.867 . 0 0 "[ . 1 . 2]" 1
1379 1 19 THR MG 1 64 VAL MG2 2.380 2.100 2.660 1.979 1.947 2.027 0.153 7 0 "[ . 1 . 2]" 1
1380 1 35 TYR HA 1 64 VAL MG2 5.090 2.500 6.000 4.522 4.264 4.669 . 0 0 "[ . 1 . 2]" 1
1381 1 64 VAL HA 1 64 VAL MG2 3.440 2.850 4.030 2.955 2.899 2.988 . 0 0 "[ . 1 . 2]" 1
1382 1 64 VAL HB 1 64 VAL MG2 2.520 2.050 2.990 2.118 2.109 2.126 . 0 0 "[ . 1 . 2]" 1
1383 1 64 VAL MG1 1 64 VAL MG2 1.990 . 2.200 2.088 2.071 2.101 . 0 0 "[ . 1 . 2]" 1
1384 1 64 VAL MG2 1 65 THR HA 4.110 2.420 5.800 3.297 3.130 3.389 . 0 0 "[ . 1 . 2]" 1
1385 1 64 VAL MG2 1 66 GLY HA2 4.180 2.870 5.490 4.476 4.216 4.673 . 0 0 "[ . 1 . 2]" 1
1386 1 64 VAL MG2 1 67 LEU MD1 4.180 2.870 5.490 4.020 3.913 4.114 . 0 0 "[ . 1 . 2]" 1
1387 1 33 VAL MG1 1 64 VAL H 5.270 2.490 6.000 5.240 5.134 5.343 . 0 0 "[ . 1 . 2]" 1
1388 1 35 TYR QD 1 64 VAL H 3.460 2.270 4.650 2.708 2.406 2.945 . 0 0 "[ . 1 . 2]" 1
1389 1 36 THR H 1 64 VAL H 4.490 2.470 6.000 4.465 4.241 4.588 . 0 0 "[ . 1 . 2]" 1
1390 1 57 TYR HB2 1 64 VAL H 2.650 . 6.000 5.739 5.567 5.940 . 0 0 "[ . 1 . 2]" 1
1391 1 63 TYR HA 1 64 VAL H 2.470 . 3.080 2.167 2.126 2.198 . 0 0 "[ . 1 . 2]" 1
1392 1 63 TYR HB2 1 64 VAL H 4.230 2.440 6.000 4.326 4.250 4.416 . 0 0 "[ . 1 . 2]" 1
1393 1 63 TYR HB3 1 64 VAL H 4.210 2.440 5.980 4.400 4.289 4.508 . 0 0 "[ . 1 . 2]" 1
1394 1 64 VAL H 1 64 VAL HA 2.450 2.150 2.750 2.810 2.793 2.826 0.076 1 0 "[ . 1 . 2]" 1
1395 1 64 VAL H 1 64 VAL HB 3.810 3.080 4.540 3.381 3.333 3.429 . 0 0 "[ . 1 . 2]" 1
1396 1 64 VAL H 1 64 VAL MG1 2.470 . 6.000 1.739 1.675 1.775 . 0 0 "[ . 1 . 2]" 1
1397 1 64 VAL H 1 64 VAL MG2 3.700 3.010 4.390 3.279 3.208 3.389 . 0 0 "[ . 1 . 2]" 1
1398 1 19 THR MG 1 65 THR HA 2.870 . 6.000 6.135 5.980 6.229 0.229 20 0 "[ . 1 . 2]" 1
1399 1 65 THR HA 1 65 THR HB 2.520 . 3.310 2.491 2.447 2.528 . 0 0 "[ . 1 . 2]" 1
1400 1 36 THR HA 1 65 THR MG 2.900 2.480 3.320 3.290 3.114 3.363 0.043 9 0 "[ . 1 . 2]" 1
1401 1 65 THR HA 1 65 THR MG 2.950 2.520 3.380 2.619 2.384 3.250 0.136 6 0 "[ . 1 . 2]" 1
1402 1 65 THR HB 1 65 THR MG 2.340 . 2.750 2.138 2.133 2.142 . 0 0 "[ . 1 . 2]" 1
1403 1 65 THR H 1 65 THR MG 3.140 2.650 3.630 2.790 2.507 3.017 0.143 2 0 "[ . 1 . 2]" 1
1404 1 65 THR MG 1 66 GLY H 4.340 3.400 5.280 3.867 3.269 4.211 0.131 15 0 "[ . 1 . 2]" 1
1405 1 33 VAL MG1 1 65 THR H 4.250 . 6.000 4.169 4.049 4.239 . 0 0 "[ . 1 . 2]" 1
1406 1 33 VAL MG2 1 65 THR H 5.660 . 6.000 6.024 5.886 6.082 0.082 15 0 "[ . 1 . 2]" 1
1407 1 34 GLU HB2 1 65 THR H 5.040 2.500 6.000 5.245 5.083 5.532 . 0 0 "[ . 1 . 2]" 1
1408 1 34 GLU HB3 1 65 THR H 4.170 2.430 5.910 3.780 3.497 4.237 . 0 0 "[ . 1 . 2]" 1
1409 1 34 GLU H 1 65 THR H 4.250 2.450 6.000 3.708 3.565 3.838 . 0 0 "[ . 1 . 2]" 1
1410 1 35 TYR HA 1 65 THR H 3.450 2.860 4.040 2.934 2.807 3.118 0.053 2 0 "[ . 1 . 2]" 1
1411 1 36 THR H 1 65 THR H 3.650 2.980 4.320 4.316 4.251 4.357 0.037 14 0 "[ . 1 . 2]" 1
1412 1 63 TYR HA 1 65 THR H 2.630 . 6.000 5.946 5.834 6.034 0.034 16 0 "[ . 1 . 2]" 1
1413 1 64 VAL HA 1 65 THR H 2.420 2.130 2.710 2.179 2.139 2.233 . 0 0 "[ . 1 . 2]" 1
1414 1 64 VAL HB 1 65 THR H 3.720 2.340 5.100 3.547 3.460 3.636 . 0 0 "[ . 1 . 2]" 1
1415 1 64 VAL MG1 1 65 THR H 2.270 . 6.000 4.417 4.383 4.442 . 0 0 "[ . 1 . 2]" 1
1416 1 64 VAL MG2 1 65 THR H 3.270 2.730 3.810 2.920 2.787 2.991 . 0 0 "[ . 1 . 2]" 1
1417 1 65 THR H 1 65 THR HA 3.030 2.570 3.490 2.932 2.904 2.946 . 0 0 "[ . 1 . 2]" 1
1418 1 65 THR H 1 65 THR HB 3.780 3.060 4.500 3.669 3.288 3.802 . 0 0 "[ . 1 . 2]" 1
1419 1 34 GLU HB2 1 66 GLY HA2 6.000 . 6.000 5.595 5.440 5.874 . 0 0 "[ . 1 . 2]" 1
1420 1 12 TYR QE 1 66 GLY HA3 4.330 3.390 5.270 4.946 4.696 5.184 . 0 0 "[ . 1 . 2]" 1
1421 1 64 VAL MG2 1 66 GLY HA3 4.440 2.960 5.920 5.072 4.990 5.199 . 0 0 "[ . 1 . 2]" 1
1422 1 65 THR MG 1 66 GLY HA3 2.750 . 6.000 5.035 3.597 5.585 . 0 0 "[ . 1 . 2]" 1
1423 1 65 THR H 1 66 GLY HA3 4.640 3.560 5.720 4.341 4.101 4.562 . 0 0 "[ . 1 . 2]" 1
1424 1 33 VAL HB 1 66 GLY H 4.110 2.840 5.380 4.835 4.538 5.092 . 0 0 "[ . 1 . 2]" 1
1425 1 33 VAL MG1 1 66 GLY H 3.490 2.580 4.400 3.656 3.345 3.926 . 0 0 "[ . 1 . 2]" 1
1426 1 34 GLU HB2 1 66 GLY H 4.200 2.880 5.520 4.342 4.034 4.796 . 0 0 "[ . 1 . 2]" 1
1427 1 34 GLU HB3 1 66 GLY H 3.080 2.130 4.030 2.945 2.413 3.691 . 0 0 "[ . 1 . 2]" 1
1428 1 34 GLU H 1 66 GLY H 2.720 . 3.460 2.829 2.728 2.959 . 0 0 "[ . 1 . 2]" 1
1429 1 35 TYR HA 1 66 GLY H 4.600 3.540 5.660 4.501 4.391 4.655 . 0 0 "[ . 1 . 2]" 1
1430 1 36 THR H 1 66 GLY H 2.960 . 6.000 6.055 6.018 6.091 0.091 11 0 "[ . 1 . 2]" 1
1431 1 64 VAL HA 1 66 GLY H 4.630 3.560 5.700 3.737 3.538 3.955 0.022 8 0 "[ . 1 . 2]" 1
1432 1 64 VAL HB 1 66 GLY H 5.260 3.180 6.000 4.282 3.925 4.523 . 0 0 "[ . 1 . 2]" 1
1433 1 64 VAL MG1 1 66 GLY H 2.360 . 6.000 5.330 5.035 5.540 . 0 0 "[ . 1 . 2]" 1
1434 1 64 VAL MG2 1 66 GLY H 2.920 2.490 3.350 3.104 2.666 3.375 0.025 19 0 "[ . 1 . 2]" 1
1435 1 65 THR HA 1 66 GLY H 3.410 2.830 3.990 3.381 3.143 3.515 . 0 0 "[ . 1 . 2]" 1
1436 1 65 THR HB 1 66 GLY H 4.010 3.200 4.820 4.072 3.750 4.521 . 0 0 "[ . 1 . 2]" 1
1437 1 65 THR H 1 66 GLY H 1.920 . 2.290 1.871 1.791 1.996 . 0 0 "[ . 1 . 2]" 1
1438 1 66 GLY H 1 66 GLY HA2 3.350 2.790 3.910 2.924 2.858 2.952 . 0 0 "[ . 1 . 2]" 1
1439 1 66 GLY H 1 66 GLY HA3 3.170 2.670 3.670 2.632 2.555 2.742 0.115 19 0 "[ . 1 . 2]" 1
1440 1 66 GLY H 1 67 LEU HA 3.550 2.290 4.810 4.717 4.513 4.854 0.044 19 0 "[ . 1 . 2]" 1
1441 1 33 VAL MG1 1 67 LEU HA 3.440 . 4.920 2.598 2.452 2.726 . 0 0 "[ . 1 . 2]" 1
1442 1 33 VAL MG2 1 67 LEU HA 5.330 . 6.000 4.332 4.222 4.391 . 0 0 "[ . 1 . 2]" 1
1443 1 6 VAL QG 1 67 LEU HA 4.610 2.410 5.710 3.312 3.162 3.532 . 0 0 "[ . 1 . 2]" 1
1444 1 33 VAL HA 1 67 LEU HB2 4.560 3.000 6.000 5.152 5.061 5.228 . 0 0 "[ . 1 . 2]" 1
1445 1 6 VAL QG 1 67 LEU HB2 3.050 2.680 4.210 2.901 2.701 3.207 . 0 0 "[ . 1 . 2]" 1
1446 1 67 LEU HA 1 67 LEU HB2 2.910 2.270 3.550 2.958 2.939 2.972 . 0 0 "[ . 1 . 2]" 1
1447 1 67 LEU HB2 1 68 HIS H 4.150 3.290 5.010 4.220 4.032 4.354 . 0 0 "[ . 1 . 2]" 1
1448 1 67 LEU HA 1 67 LEU HB3 3.120 2.630 3.610 2.723 2.703 2.747 . 0 0 "[ . 1 . 2]" 1
1449 1 10 VAL HA 1 67 LEU MD1 2.690 . 6.000 5.276 5.094 5.417 . 0 0 "[ . 1 . 2]" 1
1450 1 10 VAL MG2 1 67 LEU MD1 1.740 . 2.200 2.171 2.079 2.253 0.053 10 0 "[ . 1 . 2]" 1
1451 1 12 TYR QB 1 67 LEU MD1 3.130 2.400 3.860 2.424 2.334 2.712 0.066 18 0 "[ . 1 . 2]" 1
1452 1 21 VAL MG2 1 67 LEU MD1 3.190 2.430 3.950 3.020 2.887 3.149 . 0 0 "[ . 1 . 2]" 1
1453 1 31 VAL HB 1 67 LEU MD1 4.350 3.410 5.290 4.041 3.882 4.177 . 0 0 "[ . 1 . 2]" 1
1454 1 31 VAL QG 1 67 LEU MD1 2.960 2.300 3.620 3.408 3.273 3.529 . 0 0 "[ . 1 . 2]" 1
1455 1 33 VAL HB 1 67 LEU MD1 1.700 . 6.000 5.910 5.780 5.993 . 0 0 "[ . 1 . 2]" 1
1456 1 33 VAL MG2 1 67 LEU MD1 5.870 . 6.000 4.721 4.642 4.787 . 0 0 "[ . 1 . 2]" 1
1457 1 6 VAL QG 1 67 LEU MD1 2.700 2.150 3.250 2.668 2.308 2.967 . 0 0 "[ . 1 . 2]" 1
1458 1 67 LEU HA 1 67 LEU MD1 4.530 3.500 5.560 3.787 3.771 3.805 . 0 0 "[ . 1 . 2]" 1
1459 1 67 LEU HB2 1 67 LEU MD1 2.110 . 2.330 2.226 2.207 2.244 . 0 0 "[ . 1 . 2]" 1
1460 1 67 LEU HB3 1 67 LEU MD1 2.210 . 2.450 2.483 2.445 2.523 0.073 3 0 "[ . 1 . 2]" 1
1461 1 10 VAL MG2 1 67 LEU MD2 2.760 2.190 3.330 2.621 2.493 2.741 . 0 0 "[ . 1 . 2]" 1
1462 1 21 VAL HB 1 67 LEU MD2 3.450 2.260 4.640 3.444 3.331 3.631 . 0 0 "[ . 1 . 2]" 1
1463 1 21 VAL MG2 1 67 LEU MD2 2.710 2.160 3.260 2.908 2.821 3.007 . 0 0 "[ . 1 . 2]" 1
1464 1 31 VAL HA 1 67 LEU MD2 5.230 2.490 6.000 3.947 3.852 4.049 . 0 0 "[ . 1 . 2]" 1
1465 1 31 VAL HB 1 67 LEU MD2 3.300 2.480 4.120 2.322 2.271 2.358 0.209 3 0 "[ . 1 . 2]" 1
1466 1 31 VAL QG 1 67 LEU MD2 1.820 . 2.200 2.142 2.013 2.230 0.030 4 0 "[ . 1 . 2]" 1
1467 1 33 VAL HA 1 67 LEU MD2 4.190 3.310 5.070 3.226 3.182 3.260 0.128 13 0 "[ . 1 . 2]" 1
1468 1 34 GLU H 1 67 LEU MD2 5.400 3.220 6.000 4.873 4.806 4.968 . 0 0 "[ . 1 . 2]" 1
1469 1 6 VAL QG 1 67 LEU MD2 . . 2.200 2.117 1.999 2.228 0.028 4 0 "[ . 1 . 2]" 1
1470 1 67 LEU HA 1 67 LEU MD2 3.000 2.330 3.670 2.309 2.261 2.411 0.069 17 0 "[ . 1 . 2]" 1
1471 1 67 LEU HB2 1 67 LEU MD2 2.800 2.410 3.190 3.176 3.158 3.192 0.002 19 0 "[ . 1 . 2]" 1
1472 1 67 LEU HB3 1 67 LEU MD2 2.140 . 2.370 2.300 2.258 2.338 . 0 0 "[ . 1 . 2]" 1
1473 1 67 LEU MD1 1 67 LEU MD2 1.910 . 2.200 2.025 2.002 2.053 . 0 0 "[ . 1 . 2]" 1
1474 1 67 LEU H 1 67 LEU MD2 5.360 3.210 6.000 4.311 4.259 4.434 . 0 0 "[ . 1 . 2]" 1
1475 1 67 LEU MD2 1 68 HIS HB3 6.000 3.270 6.000 5.629 5.287 5.828 . 0 0 "[ . 1 . 2]" 1
1476 1 12 TYR QE 1 67 LEU H 3.470 . 6.000 3.260 2.910 4.137 . 0 0 "[ . 1 . 2]" 1
1477 1 34 GLU HB2 1 67 LEU H 4.840 . 6.000 6.125 6.031 6.223 0.223 17 0 "[ . 1 . 2]" 1
1478 1 5 PRO HB2 1 67 LEU H 4.590 . 6.000 3.195 2.493 3.711 . 0 0 "[ . 1 . 2]" 1
1479 1 5 PRO HB3 1 67 LEU H 3.960 . 6.000 3.070 2.578 4.118 . 0 0 "[ . 1 . 2]" 1
1480 1 6 VAL QG 1 67 LEU H 4.940 . 6.000 4.144 4.010 4.328 . 0 0 "[ . 1 . 2]" 1
1481 1 66 GLY HA2 1 67 LEU H 2.190 . 2.670 2.113 2.063 2.176 . 0 0 "[ . 1 . 2]" 1
1482 1 66 GLY HA3 1 67 LEU H 3.130 2.150 4.110 3.210 2.917 3.363 . 0 0 "[ . 1 . 2]" 1
1483 1 66 GLY H 1 67 LEU H 4.090 . 6.000 4.106 3.756 4.314 . 0 0 "[ . 1 . 2]" 1
1484 1 67 LEU H 1 67 LEU HA 2.700 . 3.430 2.899 2.877 2.931 . 0 0 "[ . 1 . 2]" 1
1485 1 67 LEU H 1 67 LEU HB2 2.210 . 6.000 2.242 2.166 2.440 . 0 0 "[ . 1 . 2]" 1
1486 1 67 LEU H 1 67 LEU HB3 3.380 2.240 4.520 3.452 3.394 3.505 . 0 0 "[ . 1 . 2]" 1
1487 1 67 LEU H 1 67 LEU MD1 4.290 2.450 6.000 3.824 3.724 4.106 . 0 0 "[ . 1 . 2]" 1
1488 1 5 PRO HA 1 68 HIS HA 3.240 2.190 4.290 4.332 3.685 4.514 0.224 2 0 "[ . 1 . 2]" 1
1489 1 5 PRO HB3 1 68 HIS HA 2.560 . 6.000 5.110 4.388 5.480 . 0 0 "[ . 1 . 2]" 1
1490 1 6 VAL QG 1 68 HIS HA 2.790 2.010 3.570 2.717 2.482 2.873 . 0 0 "[ . 1 . 2]" 1
1491 1 67 LEU HA 1 68 HIS HA 3.820 2.360 5.280 4.417 4.374 4.473 . 0 0 "[ . 1 . 2]" 1
1492 1 68 HIS HA 1 69 THR HB 5.490 . 6.000 5.552 5.501 5.631 . 0 0 "[ . 1 . 2]" 1
1493 1 68 HIS HA 1 69 THR MG 5.120 . 6.000 5.019 4.839 5.123 . 0 0 "[ . 1 . 2]" 1
1494 1 6 VAL QG 1 68 HIS HB2 3.880 . 6.000 4.046 3.941 4.227 . 0 0 "[ . 1 . 2]" 1
1495 1 68 HIS HA 1 68 HIS HB2 3.180 2.680 3.680 2.986 2.910 3.030 . 0 0 "[ . 1 . 2]" 1
1496 1 6 VAL HA 1 68 HIS HB3 4.570 2.480 6.000 5.656 5.256 6.112 0.112 17 0 "[ . 1 . 2]" 1
1497 1 68 HIS HA 1 68 HIS HB3 3.170 2.410 3.930 2.667 2.590 2.804 . 0 0 "[ . 1 . 2]" 1
1498 1 68 HIS H 1 68 HIS HB3 3.960 3.180 4.740 3.592 3.429 3.704 . 0 0 "[ . 1 . 2]" 1
1499 1 33 VAL HA 1 68 HIS HD2 2.790 . 6.000 4.426 3.639 5.558 . 0 0 "[ . 1 . 2]" 1
1500 1 34 GLU HB2 1 68 HIS HD2 3.930 2.770 5.090 3.486 2.721 4.633 0.049 5 0 "[ . 1 . 2]" 1
1501 1 34 GLU HB3 1 68 HIS HD2 4.030 2.810 5.250 4.051 3.087 5.184 . 0 0 "[ . 1 . 2]" 1
1502 1 67 LEU HB2 1 68 HIS HD2 2.920 . 6.000 5.529 5.119 6.074 0.074 13 0 "[ . 1 . 2]" 1
1503 1 68 HIS HA 1 68 HIS HD2 4.380 2.940 5.820 3.455 2.929 3.846 0.011 12 0 "[ . 1 . 2]" 1
1504 1 68 HIS HB2 1 68 HIS HD2 4.230 2.890 5.570 3.017 2.847 3.377 0.043 20 0 "[ . 1 . 2]" 1
1505 1 68 HIS HB3 1 68 HIS HD2 4.540 3.510 5.570 3.951 3.921 3.983 . 0 0 "[ . 1 . 2]" 1
1506 1 68 HIS H 1 68 HIS HD2 4.250 2.900 5.600 3.689 3.235 4.342 . 0 0 "[ . 1 . 2]" 1
1507 1 31 VAL HA 1 68 HIS H 4.380 3.420 5.340 4.511 4.294 4.723 . 0 0 "[ . 1 . 2]" 1
1508 1 31 VAL HB 1 68 HIS H 3.920 3.150 4.690 4.157 3.811 4.418 . 0 0 "[ . 1 . 2]" 1
1509 1 31 VAL QG 1 68 HIS H 3.620 2.970 4.270 4.260 4.088 4.352 0.082 12 0 "[ . 1 . 2]" 1
1510 1 33 VAL HA 1 68 HIS H 3.470 2.870 4.070 3.300 3.054 3.588 . 0 0 "[ . 1 . 2]" 1
1511 1 33 VAL MG1 1 68 HIS H 4.900 . 6.000 3.925 3.822 4.071 . 0 0 "[ . 1 . 2]" 1
1512 1 33 VAL MG2 1 68 HIS H 2.900 . 6.000 4.785 4.722 4.865 . 0 0 "[ . 1 . 2]" 1
1513 1 33 VAL H 1 68 HIS H 3.710 2.340 5.080 4.620 4.444 4.887 . 0 0 "[ . 1 . 2]" 1
1514 1 66 GLY HA3 1 68 HIS H 5.030 2.500 6.000 5.864 5.626 6.076 0.076 17 0 "[ . 1 . 2]" 1
1515 1 67 LEU HA 1 68 HIS H 2.350 2.070 2.630 2.176 2.097 2.262 . 0 0 "[ . 1 . 2]" 1
1516 1 67 LEU HB3 1 68 HIS H 3.260 2.730 3.790 3.082 2.768 3.337 . 0 0 "[ . 1 . 2]" 1
1517 1 67 LEU MD1 1 68 HIS H 2.630 . 6.000 4.721 4.500 4.899 . 0 0 "[ . 1 . 2]" 1
1518 1 67 LEU MD2 1 68 HIS H 2.930 2.070 3.790 2.514 2.211 2.735 . 0 0 "[ . 1 . 2]" 1
1519 1 67 LEU H 1 68 HIS H 3.890 2.380 5.400 4.491 4.360 4.555 . 0 0 "[ . 1 . 2]" 1
1520 1 68 HIS H 1 68 HIS HA 3.130 2.640 3.620 2.947 2.919 2.960 . 0 0 "[ . 1 . 2]" 1
1521 1 68 HIS H 1 68 HIS HB2 2.730 . 3.480 2.507 2.383 2.670 . 0 0 "[ . 1 . 2]" 1
1522 1 69 THR HA 1 69 THR HB 2.550 . 3.200 2.870 2.831 2.905 . 0 0 "[ . 1 . 2]" 1
1523 1 30 SER HB2 1 69 THR MG 3.290 2.480 4.100 4.141 3.847 4.236 0.136 12 0 "[ . 1 . 2]" 1
1524 1 31 VAL HA 1 69 THR MG 4.430 3.450 5.410 3.578 3.419 3.905 0.031 20 0 "[ . 1 . 2]" 1
1525 1 6 VAL HA 1 69 THR MG 2.620 . 3.300 2.411 2.079 2.971 . 0 0 "[ . 1 . 2]" 1
1526 1 6 VAL HB 1 69 THR MG 2.340 2.070 2.610 2.189 1.911 2.684 0.159 3 0 "[ . 1 . 2]" 1
1527 1 69 THR HA 1 69 THR MG 2.440 . 2.890 2.136 2.120 2.160 . 0 0 "[ . 1 . 2]" 1
1528 1 69 THR HB 1 69 THR MG 2.340 . 2.750 2.137 2.129 2.143 . 0 0 "[ . 1 . 2]" 1
1529 1 69 THR H 1 69 THR MG 3.450 2.860 4.040 3.548 3.417 3.615 . 0 0 "[ . 1 . 2]" 1
1530 1 7 ALA MB 1 69 THR MG 4.100 . 6.000 2.764 2.346 3.356 . 0 0 "[ . 1 . 2]" 1
1531 1 69 THR MG 1 70 CYS HB2 4.740 . 6.000 5.295 5.004 5.524 . 0 0 "[ . 1 . 2]" 1
1532 1 69 THR MG 1 72 PRO QD 3.930 . 6.000 5.866 5.535 6.084 0.084 18 0 "[ . 1 . 2]" 1
1533 1 31 VAL HA 1 69 THR H 5.220 2.500 6.000 4.971 4.855 5.045 . 0 0 "[ . 1 . 2]" 1
1534 1 32 THR H 1 69 THR H 4.040 . 6.000 4.789 4.704 4.967 . 0 0 "[ . 1 . 2]" 1
1535 1 6 VAL HA 1 69 THR H 3.770 . 6.000 3.010 2.531 3.733 . 0 0 "[ . 1 . 2]" 1
1536 1 6 VAL HB 1 69 THR H 3.830 . 6.000 3.762 2.609 4.643 . 0 0 "[ . 1 . 2]" 1
1537 1 68 HIS HA 1 69 THR H 2.360 . 6.000 2.372 2.316 2.434 . 0 0 "[ . 1 . 2]" 1
1538 1 68 HIS HB2 1 69 THR H 3.720 2.340 5.100 4.167 3.960 4.314 . 0 0 "[ . 1 . 2]" 1
1539 1 68 HIS HB3 1 69 THR H 2.720 . 3.460 2.967 2.641 3.173 . 0 0 "[ . 1 . 2]" 1
1540 1 68 HIS H 1 69 THR H 4.100 2.840 5.360 4.434 4.317 4.498 . 0 0 "[ . 1 . 2]" 1
1541 1 69 THR H 1 69 THR HA 2.520 . 3.150 2.884 2.868 2.899 . 0 0 "[ . 1 . 2]" 1
1542 1 69 THR H 1 69 THR HB 3.130 2.150 4.110 3.214 3.127 3.273 . 0 0 "[ . 1 . 2]" 1
1543 1 69 THR H 1 70 CYS H 4.140 2.430 5.850 4.509 4.447 4.548 . 0 0 "[ . 1 . 2]" 1
1544 1 32 THR MG 1 70 CYS HA 3.340 2.220 4.460 2.546 2.339 2.719 . 0 0 "[ . 1 . 2]" 1
1545 1 69 THR HB 1 70 CYS HA 3.590 2.300 4.880 4.520 4.367 4.665 . 0 0 "[ . 1 . 2]" 1
1546 1 70 CYS HA 1 70 CYS HB3 2.610 . 3.290 3.012 2.929 3.026 . 0 0 "[ . 1 . 2]" 1
1547 1 70 CYS HA 1 72 PRO QD 4.510 2.470 6.000 5.839 5.660 6.030 0.030 11 0 "[ . 1 . 2]" 1
1548 1 32 THR HB 1 70 CYS HB2 3.260 . 4.580 2.863 2.233 3.402 . 0 0 "[ . 1 . 2]" 1
1549 1 69 THR HB 1 70 CYS HB2 2.780 . 6.000 5.936 5.788 6.042 0.042 20 0 "[ . 1 . 2]" 1
1550 1 70 CYS HA 1 70 CYS HB2 2.710 2.340 3.080 2.478 2.410 2.738 . 0 0 "[ . 1 . 2]" 1
1551 1 70 CYS HB3 1 72 PRO QD 3.770 . 6.000 5.327 4.905 5.548 . 0 0 "[ . 1 . 2]" 1
1552 1 30 SER HA 1 70 CYS H 4.270 2.450 6.000 4.470 4.341 4.534 . 0 0 "[ . 1 . 2]" 1
1553 1 30 SER HB2 1 70 CYS H 3.470 2.870 4.070 3.171 2.988 3.340 . 0 0 "[ . 1 . 2]" 1
1554 1 30 SER HB3 1 70 CYS H 3.850 3.110 4.590 3.923 3.743 4.071 . 0 0 "[ . 1 . 2]" 1
1555 1 30 SER H 1 70 CYS H 4.520 2.480 6.000 4.421 4.276 4.537 . 0 0 "[ . 1 . 2]" 1
1556 1 31 VAL HA 1 70 CYS H 2.360 . 2.920 2.374 2.249 2.505 . 0 0 "[ . 1 . 2]" 1
1557 1 31 VAL HB 1 70 CYS H 4.850 3.670 6.000 4.632 4.467 4.801 . 0 0 "[ . 1 . 2]" 1
1558 1 31 VAL MG1 1 70 CYS H 3.500 2.890 4.110 4.110 3.997 4.216 0.106 6 0 "[ . 1 . 2]" 1
1559 1 31 VAL H 1 70 CYS H 4.260 2.450 6.000 4.048 4.003 4.100 . 0 0 "[ . 1 . 2]" 1
1560 1 32 THR HA 1 70 CYS H 4.210 2.440 5.980 5.615 5.440 5.774 . 0 0 "[ . 1 . 2]" 1
1561 1 32 THR HB 1 70 CYS H 5.030 2.500 6.000 5.194 4.662 5.447 . 0 0 "[ . 1 . 2]" 1
1562 1 32 THR H 1 70 CYS H 3.840 2.360 5.320 3.715 3.481 4.139 . 0 0 "[ . 1 . 2]" 1
1563 1 68 HIS HB3 1 70 CYS H 4.860 2.500 6.000 5.343 5.038 5.563 . 0 0 "[ . 1 . 2]" 1
1564 1 69 THR HB 1 70 CYS H 2.910 2.280 3.540 3.594 3.519 3.632 0.092 10 0 "[ . 1 . 2]" 1
1565 1 69 THR MG 1 70 CYS H 3.390 2.820 3.960 2.860 2.780 3.030 0.040 15 0 "[ . 1 . 2]" 1
1566 1 70 CYS H 1 70 CYS HB2 2.880 2.050 3.710 2.800 2.421 2.945 . 0 0 "[ . 1 . 2]" 1
1567 1 70 CYS H 1 70 CYS HB3 2.580 . 3.250 2.551 2.391 3.051 . 0 0 "[ . 1 . 2]" 1
1568 1 30 SER HB2 1 71 ASP HA 2.630 . 3.490 3.223 2.564 3.515 0.025 5 0 "[ . 1 . 2]" 1
1569 1 70 CYS HA 1 71 ASP HA 3.380 2.240 4.520 4.476 4.428 4.554 0.034 11 0 "[ . 1 . 2]" 1
1570 1 71 ASP HA 1 72 PRO HA 4.310 2.460 6.000 4.393 4.341 4.452 . 0 0 "[ . 1 . 2]" 1
1571 1 71 ASP HA 1 72 PRO HB2 5.000 2.500 6.000 5.122 5.044 5.193 . 0 0 "[ . 1 . 2]" 1
1572 1 71 ASP HA 1 72 PRO HB3 4.600 2.480 6.000 5.440 5.330 5.545 . 0 0 "[ . 1 . 2]" 1
1573 1 71 ASP HA 1 72 PRO QD 1.870 . 2.220 1.824 1.698 1.931 . 0 0 "[ . 1 . 2]" 1
1574 1 70 CYS HA 1 71 ASP HB2 2.670 . 6.000 5.792 5.691 5.881 . 0 0 "[ . 1 . 2]" 1
1575 1 71 ASP HA 1 71 ASP HB2 2.810 2.220 3.400 2.456 2.376 2.518 . 0 0 "[ . 1 . 2]" 1
1576 1 71 ASP HB2 1 72 PRO QD 2.820 2.420 3.220 2.402 2.350 2.556 0.070 16 0 "[ . 1 . 2]" 1
1577 1 71 ASP HB2 1 73 ALA MB 3.910 3.140 4.680 4.788 4.705 4.855 0.175 19 0 "[ . 1 . 2]" 1
1578 1 70 CYS HA 1 71 ASP HB3 3.540 2.290 4.790 4.596 4.368 4.793 0.003 15 0 "[ . 1 . 2]" 1
1579 1 71 ASP HA 1 71 ASP HB3 2.830 2.430 3.230 2.462 2.413 2.536 0.017 15 0 "[ . 1 . 2]" 1
1580 1 71 ASP HB3 1 72 PRO QD 4.140 3.280 5.000 3.326 3.210 3.463 0.070 4 0 "[ . 1 . 2]" 1
1581 1 30 SER HB3 1 71 ASP H 4.660 2.490 6.000 4.476 3.813 4.895 . 0 0 "[ . 1 . 2]" 1
1582 1 43 CYS HA 1 71 ASP H 4.870 2.500 6.000 5.620 5.272 5.931 . 0 0 "[ . 1 . 2]" 1
1583 1 70 CYS HA 1 71 ASP H 2.940 2.510 3.370 2.449 2.380 2.550 0.130 7 0 "[ . 1 . 2]" 1
1584 1 70 CYS HB2 1 71 ASP H 3.350 2.790 3.910 3.878 3.702 3.979 0.069 7 0 "[ . 1 . 2]" 1
1585 1 70 CYS HB3 1 71 ASP H 3.280 2.740 3.820 3.581 2.833 3.854 0.034 13 0 "[ . 1 . 2]" 1
1586 1 71 ASP H 1 71 ASP HA 3.900 2.760 5.040 2.934 2.910 2.945 . 0 0 "[ . 1 . 2]" 1
1587 1 71 ASP H 1 71 ASP HB2 3.710 3.020 4.400 3.794 3.704 3.919 . 0 0 "[ . 1 . 2]" 1
1588 1 71 ASP H 1 71 ASP HB3 3.400 2.820 3.980 3.144 2.837 3.454 . 0 0 "[ . 1 . 2]" 1
1589 1 30 SER HB3 1 72 PRO HA 3.750 . 5.500 4.774 3.837 5.547 0.047 18 0 "[ . 1 . 2]" 1
1590 1 72 PRO HA 1 72 PRO QD 2.850 . 3.860 2.623 2.556 2.705 . 0 0 "[ . 1 . 2]" 1
1591 1 71 ASP HB2 1 72 PRO HB2 3.560 2.610 4.510 4.355 4.106 4.546 0.036 8 0 "[ . 1 . 2]" 1
1592 1 72 PRO HA 1 72 PRO HB2 3.020 2.560 3.480 2.960 2.931 2.986 . 0 0 "[ . 1 . 2]" 1
1593 1 72 PRO HB2 1 72 PRO QD 3.700 2.680 4.720 3.456 3.422 3.474 . 0 0 "[ . 1 . 2]" 1
1594 1 71 ASP HB2 1 72 PRO HB3 4.800 3.070 6.000 5.387 5.253 5.504 . 0 0 "[ . 1 . 2]" 1
1595 1 72 PRO HA 1 72 PRO HB3 2.600 2.260 2.940 2.275 2.256 2.298 0.004 8 0 "[ . 1 . 2]" 1
1596 1 72 PRO HB3 1 72 PRO QD 3.000 2.320 3.680 3.179 3.075 3.282 . 0 0 "[ . 1 . 2]" 1
1597 1 72 PRO HB3 1 72 PRO HG3 1.890 . 2.250 2.268 2.263 2.274 0.024 12 0 "[ . 1 . 2]" 1
1598 1 72 PRO HB3 1 73 ALA MB 3.890 2.750 5.030 5.123 5.064 5.159 0.129 9 0 "[ . 1 . 2]" 1
1599 1 71 ASP H 1 72 PRO QD 4.480 2.970 5.990 4.292 4.218 4.351 . 0 0 "[ . 1 . 2]" 1
1600 1 30 SER HB3 1 72 PRO HD3 2.750 . 6.000 4.495 3.926 4.852 . 0 0 "[ . 1 . 2]" 1
1601 1 71 ASP HA 1 72 PRO HG2 5.090 3.790 6.000 3.979 3.816 4.100 . 0 0 "[ . 1 . 2]" 1
1602 1 71 ASP HB2 1 72 PRO HG2 2.690 2.330 3.050 3.115 3.087 3.159 0.109 12 0 "[ . 1 . 2]" 1
1603 1 72 PRO HA 1 72 PRO HG2 3.470 2.570 4.370 3.850 3.828 3.870 . 0 0 "[ . 1 . 2]" 1
1604 1 72 PRO HB2 1 72 PRO HG2 2.020 . 2.430 2.266 2.258 2.273 . 0 0 "[ . 1 . 2]" 1
1605 1 72 PRO QD 1 72 PRO HG2 2.630 2.280 2.980 2.248 2.241 2.254 0.039 4 0 "[ . 1 . 2]" 1
1606 1 71 ASP HA 1 72 PRO HG3 5.020 3.760 6.000 4.489 4.358 4.607 . 0 0 "[ . 1 . 2]" 1
1607 1 71 ASP HB2 1 72 PRO HG3 4.980 3.120 6.000 4.508 4.479 4.584 . 0 0 "[ . 1 . 2]" 1
1608 1 72 PRO HA 1 72 PRO HG3 3.470 2.870 4.070 3.425 3.267 3.570 . 0 0 "[ . 1 . 2]" 1
1609 1 72 PRO QD 1 72 PRO HG3 2.660 2.310 3.010 2.211 2.206 2.216 0.104 8 0 "[ . 1 . 2]" 1
1610 1 72 PRO QD 1 73 ALA MB 2.580 . 6.000 4.938 4.876 4.979 . 0 0 "[ . 1 . 2]" 1
1611 1 73 ALA HA 1 73 ALA MB 2.150 . 2.500 2.128 2.119 2.140 . 0 0 "[ . 1 . 2]" 1
1612 1 71 ASP HA 1 73 ALA H 3.770 2.350 5.190 4.923 4.734 5.064 . 0 0 "[ . 1 . 2]" 1
1613 1 71 ASP HB2 1 73 ALA H 2.580 . 6.000 5.627 5.509 5.803 . 0 0 "[ . 1 . 2]" 1
1614 1 72 PRO HA 1 73 ALA H 2.570 2.240 2.900 2.343 2.253 2.417 . 0 0 "[ . 1 . 2]" 1
1615 1 72 PRO HB2 1 73 ALA H 4.380 2.940 5.820 4.317 4.279 4.349 . 0 0 "[ . 1 . 2]" 1
1616 1 72 PRO HB3 1 73 ALA H 4.010 3.210 4.810 4.314 4.204 4.385 . 0 0 "[ . 1 . 2]" 1
1617 1 72 PRO HD3 1 73 ALA H 3.400 2.540 4.260 4.438 4.341 4.531 0.271 2 0 "[ . 1 . 2]" 1
1618 1 72 PRO HG3 1 73 ALA H 2.510 . 6.000 5.571 5.456 5.655 . 0 0 "[ . 1 . 2]" 1
1619 1 73 ALA H 1 73 ALA HA 2.600 2.260 2.940 2.846 2.812 2.862 . 0 0 "[ . 1 . 2]" 1
1620 1 73 ALA H 1 73 ALA MB 2.570 2.240 2.900 2.821 2.794 2.844 . 0 0 "[ . 1 . 2]" 1
1621 1 73 ALA H 1 74 THR H 3.140 2.650 3.630 3.380 2.910 3.829 0.199 15 0 "[ . 1 . 2]" 1
1622 1 73 ALA HA 1 74 THR H 2.940 2.290 3.590 2.268 2.167 2.415 0.123 15 0 "[ . 1 . 2]" 1
1623 1 73 ALA MB 1 74 THR H 4.060 3.240 4.880 3.562 3.243 3.697 . 0 0 "[ . 1 . 2]" 1
1624 1 74 THR H 1 75 PRO HD2 5.120 2.500 6.000 4.784 4.623 4.955 . 0 0 "[ . 1 . 2]" 1
1625 1 75 PRO HA 1 75 PRO HB2 2.720 2.350 3.090 2.749 2.693 2.873 . 0 0 "[ . 1 . 2]" 1
1626 1 75 PRO HB2 1 75 PRO HD2 3.680 2.330 5.030 4.027 3.978 4.050 . 0 0 "[ . 1 . 2]" 1
1627 1 75 PRO HB2 1 75 PRO QG 2.100 . 2.540 2.178 2.171 2.183 . 0 0 "[ . 1 . 2]" 1
1628 1 75 PRO HA 1 75 PRO HB3 2.730 . 3.470 2.285 2.249 2.309 . 0 0 "[ . 1 . 2]" 1
1629 1 75 PRO HB3 1 75 PRO QG 1.630 . 2.200 2.232 2.200 2.244 0.044 12 0 "[ . 1 . 2]" 1
1630 1 75 PRO HA 1 75 PRO HD2 3.810 2.360 5.260 4.074 3.955 4.097 . 0 0 "[ . 1 . 2]" 1
1631 1 75 PRO HB3 1 75 PRO HD2 3.140 2.150 4.130 3.894 3.863 3.993 . 0 0 "[ . 1 . 2]" 1
1632 1 75 PRO HA 1 75 PRO HD3 2.730 . 3.660 3.497 3.072 3.707 0.047 14 0 "[ . 1 . 2]" 1
1633 1 75 PRO HB2 1 75 PRO HD3 4.370 3.410 5.330 3.911 3.874 3.953 . 0 0 "[ . 1 . 2]" 1
1634 1 75 PRO HB3 1 75 PRO HD3 2.600 . 3.280 3.005 2.943 3.129 . 0 0 "[ . 1 . 2]" 1
1635 1 75 PRO HD2 1 75 PRO QG 2.190 . 2.670 2.184 2.178 2.190 . 0 0 "[ . 1 . 2]" 1
1636 1 75 PRO HD3 1 75 PRO QG 2.510 2.040 2.980 2.233 2.211 2.248 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 254
_Distance_constraint_stats_list.Viol_total 216.443
_Distance_constraint_stats_list.Viol_max 0.114
_Distance_constraint_stats_list.Viol_rms 0.0257
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0142
_Distance_constraint_stats_list.Viol_average_violations_only 0.0426
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 9 CYS 0.113 0.094 13 0 "[ . 1 . 2]"
1 11 GLU 0.036 0.014 9 0 "[ . 1 . 2]"
1 13 PHE 0.025 0.025 14 0 "[ . 1 . 2]"
1 15 SER 0.031 0.031 3 0 "[ . 1 . 2]"
1 18 TYR 0.031 0.031 3 0 "[ . 1 . 2]"
1 19 THR 0.873 0.080 14 0 "[ . 1 . 2]"
1 20 ASP 0.025 0.025 14 0 "[ . 1 . 2]"
1 21 VAL 1.431 0.069 18 0 "[ . 1 . 2]"
1 22 HIS 0.036 0.014 9 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.113 0.094 13 0 "[ . 1 . 2]"
1 29 VAL 3.111 0.106 4 0 "[ . 1 . 2]"
1 31 VAL 1.505 0.107 19 0 "[ . 1 . 2]"
1 32 THR 2.676 0.108 11 0 "[ . 1 . 2]"
1 34 GLU 1.022 0.114 2 0 "[ . 1 . 2]"
1 44 ARG 1.505 0.107 19 0 "[ . 1 . 2]"
1 46 ILE 3.111 0.106 4 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 1.431 0.069 18 0 "[ . 1 . 2]"
1 54 PHE 0.873 0.080 14 0 "[ . 1 . 2]"
1 66 GLY 1.022 0.114 2 0 "[ . 1 . 2]"
1 68 HIS 2.676 0.108 11 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 9 CYS O 1 24 GLY H 2.000 . 2.500 2.080 1.689 2.345 0.011 13 0 "[ . 1 . 2]" 2
2 1 9 CYS O 1 24 GLY N 3.000 2.700 3.500 2.798 2.606 2.924 0.094 13 0 "[ . 1 . 2]" 2
3 1 11 GLU H 1 22 HIS O 2.000 . 2.500 1.943 1.874 2.027 . 0 0 "[ . 1 . 2]" 2
4 1 11 GLU N 1 22 HIS O 3.000 2.700 3.500 2.826 2.766 2.927 . 0 0 "[ . 1 . 2]" 2
5 1 11 GLU O 1 22 HIS H 2.000 . 2.500 1.781 1.747 1.852 . 0 0 "[ . 1 . 2]" 2
6 1 11 GLU O 1 22 HIS N 3.000 2.700 3.500 2.714 2.686 2.761 0.014 9 0 "[ . 1 . 2]" 2
7 1 13 PHE H 1 20 ASP O 2.000 . 2.500 2.177 2.030 2.422 . 0 0 "[ . 1 . 2]" 2
8 1 13 PHE N 1 20 ASP O 3.000 2.700 3.500 2.894 2.803 3.023 . 0 0 "[ . 1 . 2]" 2
9 1 13 PHE O 1 20 ASP H 2.000 . 2.500 2.164 1.968 2.525 0.025 14 0 "[ . 1 . 2]" 2
10 1 13 PHE O 1 20 ASP N 3.000 2.700 3.500 2.946 2.803 3.221 . 0 0 "[ . 1 . 2]" 2
11 1 15 SER H 1 18 TYR O 2.000 . 2.500 1.901 1.714 2.171 . 0 0 "[ . 1 . 2]" 2
12 1 15 SER N 1 18 TYR O 3.000 2.700 3.500 2.851 2.669 3.076 0.031 3 0 "[ . 1 . 2]" 2
13 1 19 THR H 1 54 PHE O 2.000 . 2.500 1.826 1.732 1.880 . 0 0 "[ . 1 . 2]" 2
14 1 19 THR N 1 54 PHE O 3.000 2.700 3.500 2.784 2.697 2.833 0.003 9 0 "[ . 1 . 2]" 2
15 1 19 THR O 1 54 PHE H 2.000 . 2.500 2.543 2.506 2.580 0.080 14 0 "[ . 1 . 2]" 2
16 1 19 THR O 1 54 PHE N 3.000 2.700 3.500 3.272 3.211 3.334 . 0 0 "[ . 1 . 2]" 2
17 1 21 VAL H 1 52 ALA O 2.000 . 2.500 2.534 2.500 2.569 0.069 18 0 "[ . 1 . 2]" 2
18 1 21 VAL N 1 52 ALA O 3.000 2.700 3.500 3.472 3.437 3.526 0.026 14 0 "[ . 1 . 2]" 2
19 1 21 VAL O 1 52 ALA H 2.000 . 2.500 2.536 2.513 2.564 0.064 5 0 "[ . 1 . 2]" 2
20 1 21 VAL O 1 52 ALA N 3.000 2.700 3.500 3.169 3.135 3.194 . 0 0 "[ . 1 . 2]" 2
21 1 23 ASN H 1 50 GLY O 2.000 . 2.500 2.038 1.929 2.110 . 0 0 "[ . 1 . 2]" 2
22 1 23 ASN N 1 50 GLY O 3.000 2.700 3.500 2.976 2.878 3.040 . 0 0 "[ . 1 . 2]" 2
23 1 29 VAL H 1 46 ILE O 2.000 . 2.500 2.552 2.509 2.606 0.106 4 0 "[ . 1 . 2]" 2
24 1 29 VAL N 1 46 ILE O 3.000 2.700 3.500 3.248 3.214 3.278 . 0 0 "[ . 1 . 2]" 2
25 1 29 VAL O 1 46 ILE H 2.000 . 2.500 1.673 1.650 1.700 0.050 10 0 "[ . 1 . 2]" 2
26 1 29 VAL O 1 46 ILE N 3.000 2.700 3.500 2.623 2.606 2.639 0.094 10 0 "[ . 1 . 2]" 2
27 1 31 VAL H 1 44 ARG O 2.000 . 2.500 1.745 1.694 1.806 0.006 20 0 "[ . 1 . 2]" 2
28 1 31 VAL N 1 44 ARG O 3.000 2.700 3.500 2.705 2.646 2.756 0.054 20 0 "[ . 1 . 2]" 2
29 1 31 VAL O 1 44 ARG H 2.000 . 2.500 1.733 1.679 1.826 0.021 17 0 "[ . 1 . 2]" 2
30 1 31 VAL O 1 44 ARG N 3.000 2.700 3.500 2.637 2.593 2.682 0.107 19 0 "[ . 1 . 2]" 2
31 1 32 THR H 1 68 HIS O 2.000 . 2.500 1.718 1.641 1.876 0.059 13 0 "[ . 1 . 2]" 2
32 1 32 THR N 1 68 HIS O 3.000 2.700 3.500 2.630 2.592 2.708 0.108 11 0 "[ . 1 . 2]" 2
33 1 32 THR O 1 68 HIS H 2.000 . 2.500 1.720 1.673 1.833 0.027 12 0 "[ . 1 . 2]" 2
34 1 32 THR O 1 68 HIS N 3.000 2.700 3.500 2.667 2.627 2.692 0.073 3 0 "[ . 1 . 2]" 2
35 1 34 GLU H 1 66 GLY O 2.000 . 2.500 1.781 1.680 2.014 0.020 8 0 "[ . 1 . 2]" 2
36 1 34 GLU N 1 66 GLY O 3.000 2.700 3.500 2.702 2.630 2.851 0.070 17 0 "[ . 1 . 2]" 2
37 1 34 GLU O 1 66 GLY H 2.000 . 2.500 2.494 2.323 2.614 0.114 2 0 "[ . 1 . 2]" 2
38 1 34 GLU O 1 66 GLY N 3.000 2.700 3.500 3.356 3.196 3.482 . 0 0 "[ . 1 . 2]" 2
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