NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
537027 |
2ljx   |
17967 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ljx
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 1214
_Distance_constraint_stats_list.Viol_count 4772
_Distance_constraint_stats_list.Viol_total 7473.928
_Distance_constraint_stats_list.Viol_max 0.382
_Distance_constraint_stats_list.Viol_rms 0.0419
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.0783
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 2.812 0.273 16 0 "[ . 1 . 2]"
1 4 PHE 12.211 0.273 16 0 "[ . 1 . 2]"
1 5 GLN 6.483 0.276 10 0 "[ . 1 . 2]"
1 6 ASP 4.055 0.258 16 0 "[ . 1 . 2]"
1 7 PRO 3.188 0.310 16 0 "[ . 1 . 2]"
1 8 GLN 6.318 0.382 8 0 "[ . 1 . 2]"
1 9 GLU 7.710 0.382 8 0 "[ . 1 . 2]"
1 10 ARG 12.270 0.303 18 0 "[ . 1 . 2]"
1 11 PRO 10.951 0.231 16 0 "[ . 1 . 2]"
1 12 ARG 7.654 0.195 8 0 "[ . 1 . 2]"
1 13 LYS 9.255 0.189 17 0 "[ . 1 . 2]"
1 14 LEU 9.508 0.145 8 0 "[ . 1 . 2]"
1 15 PRO 6.319 0.146 12 0 "[ . 1 . 2]"
1 16 GLN 3.926 0.143 18 0 "[ . 1 . 2]"
1 17 LEU 14.652 0.231 16 0 "[ . 1 . 2]"
1 18 CYS 8.764 0.169 14 0 "[ . 1 . 2]"
1 19 THR 5.706 0.155 3 0 "[ . 1 . 2]"
1 20 GLU 10.819 0.186 14 0 "[ . 1 . 2]"
1 21 LEU 14.668 0.212 14 0 "[ . 1 . 2]"
1 22 GLN 2.073 0.090 6 0 "[ . 1 . 2]"
1 23 THR 2.211 0.074 3 0 "[ . 1 . 2]"
1 24 THR 5.300 0.120 9 0 "[ . 1 . 2]"
1 25 ILE 15.577 0.215 10 0 "[ . 1 . 2]"
1 26 HIS 10.691 0.215 10 0 "[ . 1 . 2]"
1 27 ASP 4.855 0.127 2 0 "[ . 1 . 2]"
1 28 ILE 7.070 0.151 16 0 "[ . 1 . 2]"
1 29 ILE 10.338 0.320 13 0 "[ . 1 . 2]"
1 30 LEU 15.891 0.320 13 0 "[ . 1 . 2]"
1 31 GLU 24.262 0.329 16 0 "[ . 1 . 2]"
1 32 CYS 7.325 0.291 7 0 "[ . 1 . 2]"
1 33 VAL 12.770 0.283 3 0 "[ . 1 . 2]"
1 34 TYR 15.232 0.275 12 0 "[ . 1 . 2]"
1 35 CYS 2.115 0.176 20 0 "[ . 1 . 2]"
1 36 LYS 7.144 0.254 16 0 "[ . 1 . 2]"
1 37 GLN 10.585 0.308 10 0 "[ . 1 . 2]"
1 38 GLN 9.554 0.263 11 0 "[ . 1 . 2]"
1 39 LEU 12.452 0.239 11 0 "[ . 1 . 2]"
1 40 LEU 7.436 0.239 11 0 "[ . 1 . 2]"
1 41 ARG 1.977 0.176 9 0 "[ . 1 . 2]"
1 42 ARG 4.635 0.131 5 0 "[ . 1 . 2]"
1 43 GLU 6.500 0.146 9 0 "[ . 1 . 2]"
1 44 VAL 3.594 0.149 7 0 "[ . 1 . 2]"
1 45 TYR 9.653 0.176 9 0 "[ . 1 . 2]"
1 46 ASP 11.169 0.332 13 0 "[ . 1 . 2]"
1 47 PHE 12.972 0.332 13 0 "[ . 1 . 2]"
1 48 ALA 4.163 0.297 10 0 "[ . 1 . 2]"
1 49 ARG 5.169 0.297 10 0 "[ . 1 . 2]"
1 50 ARG 7.587 0.208 13 0 "[ . 1 . 2]"
1 51 ASP 2.364 0.095 16 0 "[ . 1 . 2]"
1 52 LEU 6.986 0.208 13 0 "[ . 1 . 2]"
1 53 CYS 1.117 0.093 5 0 "[ . 1 . 2]"
1 54 ILE 15.278 0.266 16 0 "[ . 1 . 2]"
1 55 VAL 7.957 0.187 18 0 "[ . 1 . 2]"
1 56 TYR 16.432 0.195 11 0 "[ . 1 . 2]"
1 57 ARG 20.543 0.283 3 0 "[ . 1 . 2]"
1 58 ASP 0.653 0.084 6 0 "[ . 1 . 2]"
1 59 GLY 1.791 0.108 18 0 "[ . 1 . 2]"
1 60 ASN 8.139 0.171 10 0 "[ . 1 . 2]"
1 61 PRO 15.536 0.216 11 0 "[ . 1 . 2]"
1 62 TYR 24.883 0.329 16 0 "[ . 1 . 2]"
1 63 ALA 13.143 0.261 16 0 "[ . 1 . 2]"
1 64 VAL 16.614 0.266 16 0 "[ . 1 . 2]"
1 65 CYS 7.785 0.291 7 0 "[ . 1 . 2]"
1 66 ASP 2.179 0.132 18 0 "[ . 1 . 2]"
1 67 LYS 4.451 0.234 18 0 "[ . 1 . 2]"
1 68 CYS 3.425 0.248 8 0 "[ . 1 . 2]"
1 69 LEU 5.655 0.282 16 0 "[ . 1 . 2]"
1 70 LYS 0.998 0.101 3 0 "[ . 1 . 2]"
1 71 PHE 9.115 0.218 10 0 "[ . 1 . 2]"
1 72 TYR 2.761 0.130 9 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 1.093 0.081 13 0 "[ . 1 . 2]"
1 75 ILE 4.028 0.178 10 0 "[ . 1 . 2]"
1 76 SER 2.067 0.130 20 0 "[ . 1 . 2]"
1 77 GLU 1.184 0.130 20 0 "[ . 1 . 2]"
1 78 TYR 3.224 0.154 13 0 "[ . 1 . 2]"
1 79 ARG 4.433 0.212 18 0 "[ . 1 . 2]"
1 80 HIS 7.711 0.196 18 0 "[ . 1 . 2]"
1 81 TYR 4.976 0.191 17 0 "[ . 1 . 2]"
1 82 SER 0.432 0.095 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA MB 1 3 MET H 4.330 . 4.330 2.997 1.977 3.595 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET H 1 3 MET HB2 3.620 . 3.620 3.080 2.387 3.677 0.057 12 0 "[ . 1 . 2]" 1
3 1 3 MET H 1 3 MET HB3 4.030 . 4.030 2.734 2.212 3.722 . 0 0 "[ . 1 . 2]" 1
4 1 3 MET H 1 3 MET HG2 4.900 . 4.900 4.114 2.481 4.771 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET HA 1 3 MET HG2 4.080 . 4.080 3.077 2.539 4.214 0.134 2 0 "[ . 1 . 2]" 1
6 1 3 MET HA 1 4 PHE H 2.860 . 2.860 2.282 2.061 2.933 0.073 7 0 "[ . 1 . 2]" 1
7 1 3 MET ME 1 3 MET HG2 3.840 . 3.840 2.652 2.322 3.434 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET ME 1 3 MET HG3 3.590 . 3.590 2.988 2.238 3.431 . 0 0 "[ . 1 . 2]" 1
9 1 3 MET ME 1 4 PHE HA 3.190 . 3.190 3.301 3.222 3.463 0.273 16 0 "[ . 1 . 2]" 1
10 1 3 MET ME 1 4 PHE QD 5.230 . 5.230 4.258 2.211 4.994 . 0 0 "[ . 1 . 2]" 1
11 1 4 PHE H 1 4 PHE HB2 4.100 . 4.100 2.373 2.256 2.542 . 0 0 "[ . 1 . 2]" 1
12 1 4 PHE H 1 4 PHE HB3 3.730 . 3.730 3.343 2.646 3.681 . 0 0 "[ . 1 . 2]" 1
13 1 4 PHE H 1 4 PHE QD 3.910 . 3.910 3.518 2.506 4.107 0.197 19 0 "[ . 1 . 2]" 1
14 1 4 PHE HA 1 4 PHE QD 3.170 . 3.170 2.120 1.761 2.816 0.039 5 0 "[ . 1 . 2]" 1
15 1 4 PHE HA 1 4 PHE QE 4.190 . 4.190 4.182 3.955 4.326 0.136 18 0 "[ . 1 . 2]" 1
16 1 4 PHE HA 1 5 GLN H 3.090 . 3.090 2.155 1.976 2.545 . 0 0 "[ . 1 . 2]" 1
17 1 4 PHE HB2 1 5 GLN H 4.390 . 4.390 4.165 3.473 4.496 0.106 9 0 "[ . 1 . 2]" 1
18 1 4 PHE HB2 1 10 ARG QG 4.620 . 4.620 3.208 2.484 3.825 . 0 0 "[ . 1 . 2]" 1
19 1 4 PHE HB3 1 56 TYR QE 4.760 . 4.760 4.459 3.425 4.880 0.120 2 0 "[ . 1 . 2]" 1
20 1 4 PHE QD 1 5 GLN H 4.810 . 4.810 3.434 2.295 4.378 . 0 0 "[ . 1 . 2]" 1
21 1 4 PHE QD 1 10 ARG H 4.820 . 4.820 4.717 3.230 5.026 0.206 15 0 "[ . 1 . 2]" 1
22 1 4 PHE QD 1 10 ARG QB 4.620 . 4.620 3.002 2.138 4.042 . 0 0 "[ . 1 . 2]" 1
23 1 4 PHE QD 1 10 ARG QG 5.090 . 5.090 1.906 1.670 3.250 0.130 15 0 "[ . 1 . 2]" 1
24 1 4 PHE QD 1 11 PRO HD3 4.840 . 4.840 4.894 4.447 5.017 0.177 2 0 "[ . 1 . 2]" 1
25 1 4 PHE QD 1 21 LEU MD1 5.020 . 5.020 3.822 3.246 4.313 . 0 0 "[ . 1 . 2]" 1
26 1 4 PHE QD 1 21 LEU MD2 4.830 . 4.830 4.646 4.450 4.858 0.028 15 0 "[ . 1 . 2]" 1
27 1 4 PHE QD 1 21 LEU HG 4.350 . 4.350 4.404 4.098 4.562 0.212 14 0 "[ . 1 . 2]" 1
28 1 4 PHE QD 1 56 TYR QE 3.940 . 3.940 3.369 2.976 4.030 0.090 16 0 "[ . 1 . 2]" 1
29 1 4 PHE QD 1 61 PRO HG2 4.300 . 4.300 2.802 2.106 3.378 . 0 0 "[ . 1 . 2]" 1
30 1 4 PHE QE 1 11 PRO HD2 4.080 . 4.080 3.855 3.386 4.187 0.107 2 0 "[ . 1 . 2]" 1
31 1 4 PHE QE 1 11 PRO HD3 4.880 . 4.880 3.756 3.258 4.558 . 0 0 "[ . 1 . 2]" 1
32 1 4 PHE QE 1 17 LEU MD1 3.980 . 3.980 2.099 1.838 2.523 . 0 0 "[ . 1 . 2]" 1
33 1 4 PHE QE 1 20 GLU HG3 4.730 . 4.730 3.729 2.831 4.767 0.037 17 0 "[ . 1 . 2]" 1
34 1 4 PHE QE 1 21 LEU MD1 4.040 . 4.040 2.517 1.828 2.913 . 0 0 "[ . 1 . 2]" 1
35 1 4 PHE QE 1 21 LEU MD2 4.390 . 4.390 3.738 2.801 4.377 . 0 0 "[ . 1 . 2]" 1
36 1 4 PHE QE 1 21 LEU HG 4.820 . 4.820 2.804 2.070 3.525 . 0 0 "[ . 1 . 2]" 1
37 1 4 PHE QE 1 56 TYR QE 4.570 . 4.570 4.681 4.643 4.732 0.162 2 0 "[ . 1 . 2]" 1
38 1 4 PHE HZ 1 17 LEU MD1 4.080 . 4.080 3.241 2.185 3.762 . 0 0 "[ . 1 . 2]" 1
39 1 4 PHE HZ 1 21 LEU MD1 3.980 . 3.980 2.226 1.900 2.683 . 0 0 "[ . 1 . 2]" 1
40 1 4 PHE HZ 1 21 LEU MD2 4.800 . 4.800 4.190 3.432 4.819 0.019 19 0 "[ . 1 . 2]" 1
41 1 4 PHE HZ 1 21 LEU HG 4.470 . 4.470 2.809 1.868 3.667 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLN H 1 5 GLN HB2 3.760 . 3.760 3.313 2.193 3.816 0.056 4 0 "[ . 1 . 2]" 1
43 1 5 GLN H 1 5 GLN HB3 3.270 . 3.270 3.017 2.447 3.331 0.061 18 0 "[ . 1 . 2]" 1
44 1 5 GLN H 1 5 GLN QG 3.830 . 3.830 2.721 1.922 3.945 0.115 1 0 "[ . 1 . 2]" 1
45 1 5 GLN H 1 6 ASP H 4.600 . 4.600 4.487 4.374 4.594 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLN HA 1 5 GLN HE22 4.700 . 4.700 4.649 3.251 4.976 0.276 10 0 "[ . 1 . 2]" 1
47 1 5 GLN HA 1 5 GLN QG 3.520 . 3.520 3.221 2.294 3.598 0.078 4 0 "[ . 1 . 2]" 1
48 1 5 GLN HA 1 6 ASP H 2.850 . 2.850 2.357 2.107 2.615 . 0 0 "[ . 1 . 2]" 1
49 1 5 GLN HB2 1 5 GLN QG 2.460 . 2.460 2.295 2.118 2.464 0.004 15 0 "[ . 1 . 2]" 1
50 1 5 GLN HE21 1 6 ASP HA 4.220 . 4.220 4.074 3.474 4.352 0.132 9 0 "[ . 1 . 2]" 1
51 1 5 GLN HE22 1 6 ASP HA 4.140 . 4.140 4.246 4.033 4.398 0.258 16 0 "[ . 1 . 2]" 1
52 1 6 ASP H 1 6 ASP HB2 3.510 . 3.510 3.078 2.405 3.601 0.091 4 0 "[ . 1 . 2]" 1
53 1 6 ASP H 1 6 ASP HB3 3.160 . 3.160 2.439 2.249 2.643 . 0 0 "[ . 1 . 2]" 1
54 1 6 ASP HA 1 6 ASP HB2 2.780 . 2.780 2.443 2.354 2.507 . 0 0 "[ . 1 . 2]" 1
55 1 6 ASP HA 1 8 GLN H 4.380 . 4.380 3.518 2.099 4.521 0.141 15 0 "[ . 1 . 2]" 1
56 1 6 ASP HA 1 9 GLU H 4.780 . 4.780 4.065 3.066 4.804 0.024 5 0 "[ . 1 . 2]" 1
57 1 6 ASP HB2 1 7 PRO HA 3.700 . 3.700 2.838 1.783 3.752 0.052 18 0 "[ . 1 . 2]" 1
58 1 7 PRO HB2 1 8 GLN H 4.010 . 4.010 2.706 1.776 4.032 0.024 10 0 "[ . 1 . 2]" 1
59 1 7 PRO HB3 1 8 GLN H 3.680 . 3.680 3.689 3.310 3.990 0.310 16 0 "[ . 1 . 2]" 1
60 1 7 PRO HD2 1 8 GLN H 4.130 . 4.130 2.491 2.024 3.145 . 0 0 "[ . 1 . 2]" 1
61 1 7 PRO HD3 1 8 GLN H 3.790 . 3.790 3.804 3.621 3.956 0.166 10 0 "[ . 1 . 2]" 1
62 1 7 PRO HG2 1 8 GLN H 3.410 . 3.410 2.939 2.250 3.446 0.036 5 0 "[ . 1 . 2]" 1
63 1 8 GLN H 1 8 GLN HB2 2.980 . 2.980 2.696 2.490 3.137 0.157 7 0 "[ . 1 . 2]" 1
64 1 8 GLN H 1 8 GLN QG 3.570 . 3.570 2.893 2.195 3.716 0.146 10 0 "[ . 1 . 2]" 1
65 1 8 GLN H 1 9 GLU H 3.240 . 3.240 3.162 2.223 3.622 0.382 8 0 "[ . 1 . 2]" 1
66 1 8 GLN HA 1 8 GLN QG 3.490 . 3.490 2.628 2.359 2.996 . 0 0 "[ . 1 . 2]" 1
67 1 8 GLN HA 1 9 GLU H 3.190 . 3.190 2.407 2.014 3.199 0.009 7 0 "[ . 1 . 2]" 1
68 1 8 GLN HB2 1 8 GLN HE21 4.790 . 4.790 3.561 1.776 4.556 0.024 19 0 "[ . 1 . 2]" 1
69 1 9 GLU H 1 9 GLU HB2 3.150 . 3.150 2.457 2.019 2.913 . 0 0 "[ . 1 . 2]" 1
70 1 9 GLU H 1 9 GLU HB3 3.190 . 3.190 2.717 2.426 3.460 0.270 8 0 "[ . 1 . 2]" 1
71 1 9 GLU H 1 9 GLU HG2 4.400 . 4.400 4.147 2.153 4.538 0.138 7 0 "[ . 1 . 2]" 1
72 1 9 GLU H 1 10 ARG H 3.550 . 3.550 2.718 2.048 3.853 0.303 18 0 "[ . 1 . 2]" 1
73 1 9 GLU H 1 10 ARG QG 5.130 . 5.130 4.423 2.750 5.173 0.043 3 0 "[ . 1 . 2]" 1
74 1 9 GLU HA 1 9 GLU HG2 3.320 . 3.320 3.108 2.501 3.547 0.227 9 0 "[ . 1 . 2]" 1
75 1 9 GLU HA 1 9 GLU HG3 3.430 . 3.430 2.754 2.307 3.541 0.111 13 0 "[ . 1 . 2]" 1
76 1 9 GLU HA 1 10 ARG H 3.070 . 3.070 3.060 1.782 3.315 0.245 4 0 "[ . 1 . 2]" 1
77 1 9 GLU HB2 1 10 ARG H 4.090 . 4.090 3.967 3.158 4.254 0.164 12 0 "[ . 1 . 2]" 1
78 1 9 GLU HB3 1 10 ARG H 4.630 . 4.630 3.375 2.512 4.273 . 0 0 "[ . 1 . 2]" 1
79 1 10 ARG H 1 10 ARG QB . . 3.690 3.055 2.295 3.514 . 0 0 "[ . 1 . 2]" 1
80 1 10 ARG H 1 10 ARG QG 3.180 . 3.180 2.835 1.750 3.196 0.050 18 0 "[ . 1 . 2]" 1
81 1 10 ARG H 1 11 PRO HD2 5.070 . 5.070 4.919 4.292 5.146 0.076 8 0 "[ . 1 . 2]" 1
82 1 10 ARG H 1 11 PRO HD3 4.920 . 4.920 4.403 3.375 4.929 0.009 12 0 "[ . 1 . 2]" 1
83 1 10 ARG HA 1 10 ARG QG 3.330 . 3.330 2.805 2.385 3.493 0.163 2 0 "[ . 1 . 2]" 1
84 1 10 ARG HA 1 11 PRO HD2 3.000 . 3.000 2.728 2.186 3.128 0.128 8 0 "[ . 1 . 2]" 1
85 1 10 ARG HA 1 11 PRO HD3 3.120 . 3.120 2.153 1.963 2.468 . 0 0 "[ . 1 . 2]" 1
86 1 10 ARG QB 1 11 PRO HD3 4.020 . 4.020 3.241 2.541 3.952 . 0 0 "[ . 1 . 2]" 1
87 1 10 ARG QB 1 17 LEU MD1 3.240 . 3.240 2.816 2.226 3.316 0.076 7 0 "[ . 1 . 2]" 1
88 1 10 ARG QB 1 56 TYR QE 4.330 . 4.330 2.228 1.934 3.188 . 0 0 "[ . 1 . 2]" 1
89 1 10 ARG QB 1 61 PRO HG3 3.140 . 3.140 3.200 3.025 3.308 0.168 9 0 "[ . 1 . 2]" 1
90 1 10 ARG QG 1 11 PRO HD2 4.720 . 4.720 3.950 3.457 4.273 . 0 0 "[ . 1 . 2]" 1
91 1 10 ARG QG 1 11 PRO HD3 4.480 . 4.480 4.310 3.623 4.560 0.080 20 0 "[ . 1 . 2]" 1
92 1 10 ARG QG 1 61 PRO HD2 4.800 . 4.800 4.868 4.621 4.958 0.158 14 0 "[ . 1 . 2]" 1
93 1 10 ARG QG 1 61 PRO HD3 4.750 . 4.750 3.620 3.318 3.809 . 0 0 "[ . 1 . 2]" 1
94 1 10 ARG QG 1 61 PRO HG2 3.570 . 3.570 3.706 3.626 3.786 0.216 11 0 "[ . 1 . 2]" 1
95 1 10 ARG QG 1 61 PRO HG3 3.220 . 3.220 2.391 2.200 2.792 . 0 0 "[ . 1 . 2]" 1
96 1 11 PRO HA 1 12 ARG H 2.770 . 2.770 2.647 2.227 2.778 0.008 19 0 "[ . 1 . 2]" 1
97 1 11 PRO HA 1 13 LYS H 4.410 . 4.410 4.008 3.469 4.224 . 0 0 "[ . 1 . 2]" 1
98 1 11 PRO HB2 1 12 ARG H 4.240 . 4.240 2.074 1.773 3.074 0.027 14 0 "[ . 1 . 2]" 1
99 1 11 PRO HB3 1 12 ARG H 3.610 . 3.610 3.199 2.989 3.657 0.047 11 0 "[ . 1 . 2]" 1
100 1 11 PRO HB3 1 13 LYS H 3.230 . 3.230 3.349 3.318 3.378 0.148 13 0 "[ . 1 . 2]" 1
101 1 11 PRO HB3 1 17 LEU H 4.450 . 4.450 4.513 4.470 4.558 0.108 11 0 "[ . 1 . 2]" 1
102 1 11 PRO HD2 1 17 LEU H 5.100 . 5.100 4.784 4.589 4.984 . 0 0 "[ . 1 . 2]" 1
103 1 11 PRO HD2 1 17 LEU HB3 4.490 . 4.490 4.626 4.547 4.721 0.231 16 0 "[ . 1 . 2]" 1
104 1 11 PRO HD2 1 17 LEU MD1 3.940 . 3.940 1.855 1.770 1.983 0.030 14 0 "[ . 1 . 2]" 1
105 1 11 PRO QG 1 16 GLN HE22 5.430 . 5.430 5.142 4.493 5.520 0.090 15 0 "[ . 1 . 2]" 1
106 1 11 PRO QG 1 17 LEU H 4.380 . 4.380 2.704 2.575 2.915 . 0 0 "[ . 1 . 2]" 1
107 1 11 PRO QG 1 17 LEU HA 3.270 . 3.270 2.029 1.854 2.197 . 0 0 "[ . 1 . 2]" 1
108 1 11 PRO QG 1 17 LEU MD1 3.410 . 3.410 2.667 2.393 2.838 . 0 0 "[ . 1 . 2]" 1
109 1 11 PRO QG 1 56 TYR QE 4.450 . 4.450 4.532 4.474 4.627 0.177 11 0 "[ . 1 . 2]" 1
110 1 12 ARG H 1 12 ARG HB2 3.730 . 3.730 2.508 2.229 3.131 . 0 0 "[ . 1 . 2]" 1
111 1 12 ARG H 1 12 ARG HB3 3.530 . 3.530 3.511 2.784 3.664 0.134 2 0 "[ . 1 . 2]" 1
112 1 12 ARG H 1 12 ARG HG2 4.560 . 4.560 3.699 2.850 4.619 0.059 19 0 "[ . 1 . 2]" 1
113 1 12 ARG H 1 13 LYS H 3.540 . 3.540 2.022 1.796 2.567 0.004 12 0 "[ . 1 . 2]" 1
114 1 12 ARG H 1 13 LYS HG3 4.310 . 4.310 3.873 3.179 4.430 0.120 15 0 "[ . 1 . 2]" 1
115 1 12 ARG HA 1 12 ARG QD 3.380 . 3.380 2.503 1.920 3.575 0.195 8 0 "[ . 1 . 2]" 1
116 1 12 ARG HA 1 12 ARG HG2 3.350 . 3.350 3.022 2.112 3.544 0.194 4 0 "[ . 1 . 2]" 1
117 1 12 ARG HA 1 12 ARG HG3 3.510 . 3.510 3.135 2.235 3.694 0.184 14 0 "[ . 1 . 2]" 1
118 1 12 ARG HA 1 13 LYS H 3.650 . 3.650 3.265 3.143 3.395 . 0 0 "[ . 1 . 2]" 1
119 1 12 ARG HA 1 54 ILE MD 4.030 . 4.030 4.150 4.042 4.212 0.182 14 0 "[ . 1 . 2]" 1
120 1 12 ARG HA 1 56 TYR QE 4.210 . 4.210 2.437 1.914 2.820 . 0 0 "[ . 1 . 2]" 1
121 1 12 ARG HB2 1 12 ARG QD 3.710 . 3.710 2.967 2.080 3.492 . 0 0 "[ . 1 . 2]" 1
122 1 12 ARG HB3 1 12 ARG QD 3.460 . 3.460 2.704 2.121 3.489 0.029 20 0 "[ . 1 . 2]" 1
123 1 12 ARG QD 1 56 TYR QE 5.050 . 5.050 2.692 1.879 4.148 . 0 0 "[ . 1 . 2]" 1
124 1 13 LYS H 1 13 LYS HB3 3.580 . 3.580 3.667 3.638 3.701 0.121 15 0 "[ . 1 . 2]" 1
125 1 13 LYS H 1 13 LYS HG3 4.250 . 4.250 3.189 2.513 3.983 . 0 0 "[ . 1 . 2]" 1
126 1 13 LYS H 1 16 GLN HB2 4.530 . 4.530 3.816 3.017 4.560 0.030 6 0 "[ . 1 . 2]" 1
127 1 13 LYS HA 1 13 LYS QD 3.630 . 3.630 3.305 2.011 3.819 0.189 17 0 "[ . 1 . 2]" 1
128 1 13 LYS HA 1 14 LEU H 3.260 . 3.260 2.140 2.013 2.231 . 0 0 "[ . 1 . 2]" 1
129 1 13 LYS HA 1 14 LEU QB 4.390 . 4.390 3.997 3.890 4.098 . 0 0 "[ . 1 . 2]" 1
130 1 13 LYS HB2 1 13 LYS QD 3.230 . 3.230 2.692 2.356 3.393 0.163 15 0 "[ . 1 . 2]" 1
131 1 13 LYS HB2 1 14 LEU H 3.800 . 3.800 3.818 3.747 3.853 0.053 20 0 "[ . 1 . 2]" 1
132 1 13 LYS HB2 1 15 PRO HD3 4.700 . 4.700 4.778 4.753 4.808 0.108 18 0 "[ . 1 . 2]" 1
133 1 13 LYS HB3 1 15 PRO HD3 4.610 . 4.610 3.740 3.535 4.005 . 0 0 "[ . 1 . 2]" 1
134 1 13 LYS QD 1 16 GLN HE21 4.620 . 4.620 4.036 1.861 4.763 0.143 18 0 "[ . 1 . 2]" 1
135 1 13 LYS HG3 1 16 GLN HE21 4.550 . 4.550 3.861 2.314 4.671 0.121 11 0 "[ . 1 . 2]" 1
136 1 14 LEU H 1 14 LEU QB 3.400 . 3.400 2.170 2.132 2.192 . 0 0 "[ . 1 . 2]" 1
137 1 14 LEU H 1 14 LEU MD1 4.670 . 4.670 4.123 4.049 4.185 . 0 0 "[ . 1 . 2]" 1
138 1 14 LEU H 1 14 LEU MD2 4.780 . 4.780 4.131 4.091 4.174 . 0 0 "[ . 1 . 2]" 1
139 1 14 LEU H 1 14 LEU HG 4.280 . 4.280 4.314 4.294 4.333 0.053 5 0 "[ . 1 . 2]" 1
140 1 14 LEU H 1 15 PRO HD2 3.940 . 3.940 2.438 2.330 2.543 . 0 0 "[ . 1 . 2]" 1
141 1 14 LEU H 1 15 PRO HD3 4.100 . 4.100 3.180 3.079 3.297 . 0 0 "[ . 1 . 2]" 1
142 1 14 LEU H 1 47 PHE QD 4.880 . 4.880 3.453 3.077 3.891 . 0 0 "[ . 1 . 2]" 1
143 1 14 LEU H 1 47 PHE QE 4.790 . 4.790 3.639 3.433 3.990 . 0 0 "[ . 1 . 2]" 1
144 1 14 LEU H 1 54 ILE MD 5.120 . 5.120 3.389 3.214 3.658 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU HA 1 14 LEU MD1 3.300 . 3.300 2.155 2.108 2.212 . 0 0 "[ . 1 . 2]" 1
146 1 14 LEU HA 1 14 LEU MD2 3.780 . 3.780 3.824 3.800 3.840 0.060 14 0 "[ . 1 . 2]" 1
147 1 14 LEU HA 1 17 LEU HB2 4.130 . 4.130 3.291 3.196 3.437 . 0 0 "[ . 1 . 2]" 1
148 1 14 LEU HA 1 17 LEU HB3 4.000 . 4.000 2.691 2.562 2.802 . 0 0 "[ . 1 . 2]" 1
149 1 14 LEU HA 1 47 PHE QD 4.770 . 4.770 4.272 4.085 4.509 . 0 0 "[ . 1 . 2]" 1
150 1 14 LEU HA 1 54 ILE MD 3.700 . 3.700 2.013 1.909 2.133 . 0 0 "[ . 1 . 2]" 1
151 1 14 LEU QB 1 15 PRO HD2 4.080 . 4.080 2.934 2.872 2.980 . 0 0 "[ . 1 . 2]" 1
152 1 14 LEU QB 1 47 PHE QD 3.520 . 3.520 2.015 1.893 2.180 . 0 0 "[ . 1 . 2]" 1
153 1 14 LEU QB 1 47 PHE QE 4.040 . 4.040 3.126 2.953 3.246 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU QB 1 48 ALA HA 4.550 . 4.550 3.423 3.234 3.740 . 0 0 "[ . 1 . 2]" 1
155 1 14 LEU QB 1 48 ALA MB 3.350 . 3.350 2.512 2.294 2.887 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU QB 1 54 ILE MD 3.680 . 3.680 2.404 2.232 2.552 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU MD1 1 17 LEU HB2 4.150 . 4.150 4.237 4.208 4.265 0.115 6 0 "[ . 1 . 2]" 1
158 1 14 LEU MD1 1 18 CYS H 4.760 . 4.760 3.760 3.630 3.875 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU MD1 1 25 ILE MD 3.460 . 3.460 3.568 3.476 3.605 0.145 8 0 "[ . 1 . 2]" 1
160 1 14 LEU MD1 1 30 LEU MD1 4.210 . 4.210 3.330 3.225 3.431 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU MD1 1 30 LEU MD2 3.320 . 3.320 1.870 1.816 1.930 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU MD1 1 47 PHE HB2 4.340 . 4.340 4.408 4.372 4.438 0.098 11 0 "[ . 1 . 2]" 1
163 1 14 LEU MD1 1 47 PHE QD 3.810 . 3.810 3.639 3.365 3.764 . 0 0 "[ . 1 . 2]" 1
164 1 14 LEU MD1 1 47 PHE QE 4.810 . 4.810 4.481 4.236 4.624 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU MD1 1 48 ALA H 5.020 . 5.020 4.879 4.747 5.081 0.061 10 0 "[ . 1 . 2]" 1
166 1 14 LEU MD1 1 63 ALA HA 4.870 . 4.870 4.951 4.912 4.991 0.121 7 0 "[ . 1 . 2]" 1
167 1 14 LEU MD1 1 63 ALA MB 5.080 . 5.080 3.779 3.719 3.839 . 0 0 "[ . 1 . 2]" 1
168 1 14 LEU MD2 1 15 PRO HD2 4.620 . 4.620 4.645 4.614 4.674 0.054 17 0 "[ . 1 . 2]" 1
169 1 14 LEU MD2 1 25 ILE MD 2.900 . 2.900 2.269 2.133 2.497 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU MD2 1 25 ILE MG 4.000 . 4.000 2.142 1.956 2.414 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU MD2 1 30 LEU MD2 3.310 . 3.310 3.240 3.147 3.328 0.018 10 0 "[ . 1 . 2]" 1
172 1 14 LEU MD2 1 44 VAL HA 4.090 . 4.090 3.544 3.375 3.686 . 0 0 "[ . 1 . 2]" 1
173 1 14 LEU MD2 1 44 VAL HB 4.550 . 4.550 4.203 3.970 4.359 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU MD2 1 47 PHE HB2 4.540 . 4.540 2.838 2.770 2.890 . 0 0 "[ . 1 . 2]" 1
175 1 14 LEU MD2 1 47 PHE QD 3.590 . 3.590 2.637 2.399 2.810 . 0 0 "[ . 1 . 2]" 1
176 1 14 LEU MD2 1 47 PHE QE 4.990 . 4.990 4.333 4.103 4.495 . 0 0 "[ . 1 . 2]" 1
177 1 14 LEU MD2 1 48 ALA H 4.080 . 4.080 2.298 2.127 2.499 . 0 0 "[ . 1 . 2]" 1
178 1 14 LEU MD2 1 48 ALA HA 4.430 . 4.430 3.277 2.904 3.467 . 0 0 "[ . 1 . 2]" 1
179 1 14 LEU MD2 1 48 ALA MB 3.730 . 3.730 1.867 1.829 1.940 . 0 0 "[ . 1 . 2]" 1
180 1 14 LEU MD2 1 63 ALA MB 4.820 . 4.820 4.147 4.056 4.248 . 0 0 "[ . 1 . 2]" 1
181 1 14 LEU HG 1 25 ILE MD 2.980 . 2.980 2.811 2.668 2.936 . 0 0 "[ . 1 . 2]" 1
182 1 14 LEU HG 1 25 ILE MG 3.870 . 3.870 3.394 3.119 3.591 . 0 0 "[ . 1 . 2]" 1
183 1 14 LEU HG 1 30 LEU MD2 4.940 . 4.940 4.296 4.245 4.343 . 0 0 "[ . 1 . 2]" 1
184 1 15 PRO HA 1 18 CYS H 3.610 . 3.610 3.420 3.352 3.548 . 0 0 "[ . 1 . 2]" 1
185 1 15 PRO HA 1 18 CYS HB2 3.770 . 3.770 2.844 2.737 2.950 . 0 0 "[ . 1 . 2]" 1
186 1 15 PRO HA 1 18 CYS HB3 4.230 . 4.230 4.273 4.235 4.318 0.088 2 0 "[ . 1 . 2]" 1
187 1 15 PRO HB2 1 16 GLN H 4.020 . 4.020 3.308 3.164 3.385 . 0 0 "[ . 1 . 2]" 1
188 1 15 PRO HB3 1 16 GLN H 3.930 . 3.930 3.998 3.967 4.021 0.091 5 0 "[ . 1 . 2]" 1
189 1 15 PRO HB3 1 48 ALA MB 3.170 . 3.170 3.271 3.222 3.316 0.146 12 0 "[ . 1 . 2]" 1
190 1 15 PRO HD2 1 16 GLN H 4.370 . 4.370 2.633 2.464 2.878 . 0 0 "[ . 1 . 2]" 1
191 1 15 PRO HD2 1 48 ALA MB 4.350 . 4.350 3.896 3.620 4.235 . 0 0 "[ . 1 . 2]" 1
192 1 15 PRO HD3 1 16 GLN H 4.060 . 4.060 3.767 3.640 3.931 . 0 0 "[ . 1 . 2]" 1
193 1 15 PRO QG 1 16 GLN H 4.570 . 4.570 2.135 2.030 2.217 . 0 0 "[ . 1 . 2]" 1
194 1 15 PRO QG 1 48 ALA MB 4.590 . 4.590 3.346 3.212 3.571 . 0 0 "[ . 1 . 2]" 1
195 1 16 GLN H 1 16 GLN HB2 3.140 . 3.140 2.388 2.102 2.632 . 0 0 "[ . 1 . 2]" 1
196 1 16 GLN H 1 16 GLN HB3 3.520 . 3.520 3.130 2.451 3.598 0.078 17 0 "[ . 1 . 2]" 1
197 1 16 GLN H 1 16 GLN HG2 4.410 . 4.410 3.923 3.059 4.456 0.046 11 0 "[ . 1 . 2]" 1
198 1 16 GLN H 1 16 GLN HG3 4.220 . 4.220 3.218 2.047 4.313 0.093 5 0 "[ . 1 . 2]" 1
199 1 16 GLN H 1 17 LEU H 3.350 . 3.350 2.634 2.547 2.715 . 0 0 "[ . 1 . 2]" 1
200 1 16 GLN H 1 17 LEU HB3 5.440 . 5.440 4.626 4.505 4.725 . 0 0 "[ . 1 . 2]" 1
201 1 16 GLN H 1 18 CYS H 4.620 . 4.620 4.030 3.956 4.142 . 0 0 "[ . 1 . 2]" 1
202 1 16 GLN HA 1 16 GLN HG2 3.400 . 3.400 2.710 2.479 3.113 . 0 0 "[ . 1 . 2]" 1
203 1 16 GLN HA 1 16 GLN HG3 3.500 . 3.500 2.783 2.396 3.306 . 0 0 "[ . 1 . 2]" 1
204 1 16 GLN HA 1 17 LEU H 3.580 . 3.580 3.581 3.535 3.612 0.032 14 0 "[ . 1 . 2]" 1
205 1 16 GLN HA 1 19 THR H 3.490 . 3.490 3.415 3.199 3.556 0.066 13 0 "[ . 1 . 2]" 1
206 1 16 GLN HA 1 19 THR MG 4.170 . 4.170 3.832 3.412 4.224 0.054 14 0 "[ . 1 . 2]" 1
207 1 16 GLN HB2 1 17 LEU H 4.060 . 4.060 3.258 2.629 3.950 . 0 0 "[ . 1 . 2]" 1
208 1 17 LEU H 1 17 LEU HB2 3.070 . 3.070 2.405 2.340 2.471 . 0 0 "[ . 1 . 2]" 1
209 1 17 LEU H 1 17 LEU HB3 3.330 . 3.330 2.324 2.268 2.363 . 0 0 "[ . 1 . 2]" 1
210 1 17 LEU H 1 17 LEU MD1 4.630 . 4.630 4.050 3.956 4.097 . 0 0 "[ . 1 . 2]" 1
211 1 17 LEU H 1 17 LEU MD2 3.820 . 3.820 3.980 3.964 3.992 0.172 20 0 "[ . 1 . 2]" 1
212 1 17 LEU H 1 17 LEU HG 4.360 . 4.360 4.281 4.235 4.326 . 0 0 "[ . 1 . 2]" 1
213 1 17 LEU H 1 18 CYS H 3.380 . 3.380 2.568 2.459 2.670 . 0 0 "[ . 1 . 2]" 1
214 1 17 LEU H 1 18 CYS HB2 4.730 . 4.730 4.750 4.691 4.783 0.053 11 0 "[ . 1 . 2]" 1
215 1 17 LEU HA 1 17 LEU MD1 3.190 . 3.190 2.064 2.010 2.125 . 0 0 "[ . 1 . 2]" 1
216 1 17 LEU HA 1 17 LEU HG 3.780 . 3.780 3.150 3.068 3.232 . 0 0 "[ . 1 . 2]" 1
217 1 17 LEU HA 1 20 GLU HB2 4.250 . 4.250 2.597 2.362 2.878 . 0 0 "[ . 1 . 2]" 1
218 1 17 LEU HA 1 20 GLU HB3 4.340 . 4.340 4.071 3.756 4.373 0.033 7 0 "[ . 1 . 2]" 1
219 1 17 LEU HB2 1 18 CYS H 3.670 . 3.670 3.720 3.687 3.751 0.081 8 0 "[ . 1 . 2]" 1
220 1 17 LEU HB3 1 18 CYS H 3.910 . 3.910 2.400 2.326 2.465 . 0 0 "[ . 1 . 2]" 1
221 1 17 LEU MD1 1 18 CYS H 4.540 . 4.540 4.345 4.291 4.418 . 0 0 "[ . 1 . 2]" 1
222 1 17 LEU MD1 1 20 GLU HA 4.920 . 4.920 5.010 4.931 5.080 0.160 14 0 "[ . 1 . 2]" 1
223 1 17 LEU MD1 1 20 GLU HB2 4.480 . 4.480 2.469 2.386 2.538 . 0 0 "[ . 1 . 2]" 1
224 1 17 LEU MD2 1 54 ILE MD 3.900 . 3.900 1.965 1.929 2.026 . 0 0 "[ . 1 . 2]" 1
225 1 17 LEU MD2 1 54 ILE MG 4.360 . 4.360 2.488 2.228 2.626 . 0 0 "[ . 1 . 2]" 1
226 1 17 LEU MD2 1 61 PRO HB3 3.570 . 3.570 2.421 2.258 2.566 . 0 0 "[ . 1 . 2]" 1
227 1 17 LEU HG 1 18 CYS H 3.990 . 3.990 3.519 3.438 3.584 . 0 0 "[ . 1 . 2]" 1
228 1 17 LEU HG 1 18 CYS HA 3.420 . 3.420 3.521 3.487 3.547 0.127 7 0 "[ . 1 . 2]" 1
229 1 17 LEU HG 1 21 LEU MD1 3.230 . 3.230 1.972 1.890 2.083 . 0 0 "[ . 1 . 2]" 1
230 1 18 CYS H 1 18 CYS HB2 3.340 . 3.340 2.547 2.466 2.621 . 0 0 "[ . 1 . 2]" 1
231 1 18 CYS H 1 18 CYS HB3 3.600 . 3.600 3.594 3.565 3.619 0.019 18 0 "[ . 1 . 2]" 1
232 1 18 CYS H 1 19 THR H 3.400 . 3.400 2.699 2.591 2.782 . 0 0 "[ . 1 . 2]" 1
233 1 18 CYS HA 1 20 GLU H 4.990 . 4.990 4.208 4.009 4.554 . 0 0 "[ . 1 . 2]" 1
234 1 18 CYS HA 1 21 LEU H 3.780 . 3.780 3.340 3.241 3.435 . 0 0 "[ . 1 . 2]" 1
235 1 18 CYS HA 1 21 LEU HB2 4.030 . 4.030 2.588 2.526 2.664 . 0 0 "[ . 1 . 2]" 1
236 1 18 CYS HA 1 21 LEU HB3 4.000 . 4.000 4.119 4.089 4.169 0.169 14 0 "[ . 1 . 2]" 1
237 1 18 CYS HA 1 21 LEU MD1 4.510 . 4.510 2.751 2.358 3.187 . 0 0 "[ . 1 . 2]" 1
238 1 18 CYS HA 1 23 THR H 3.900 . 3.900 3.857 3.671 3.937 0.037 3 0 "[ . 1 . 2]" 1
239 1 18 CYS HA 1 23 THR MG 3.090 . 3.090 2.975 2.812 3.136 0.046 8 0 "[ . 1 . 2]" 1
240 1 18 CYS HB2 1 19 THR H 3.420 . 3.420 2.641 2.539 2.744 . 0 0 "[ . 1 . 2]" 1
241 1 18 CYS HB2 1 23 THR MG 4.670 . 4.670 4.532 4.268 4.680 0.010 2 0 "[ . 1 . 2]" 1
242 1 18 CYS HB2 1 24 THR HA 4.720 . 4.720 3.196 2.985 3.325 . 0 0 "[ . 1 . 2]" 1
243 1 18 CYS HB2 1 24 THR MG 3.920 . 3.920 3.969 3.934 4.003 0.083 20 0 "[ . 1 . 2]" 1
244 1 18 CYS HB2 1 25 ILE H 4.830 . 4.830 4.220 3.868 4.485 . 0 0 "[ . 1 . 2]" 1
245 1 18 CYS HB3 1 19 THR H 3.660 . 3.660 3.699 3.662 3.740 0.080 7 0 "[ . 1 . 2]" 1
246 1 18 CYS HB3 1 23 THR MG 4.130 . 4.130 3.116 2.817 3.315 . 0 0 "[ . 1 . 2]" 1
247 1 18 CYS HB3 1 24 THR HA 3.900 . 3.900 2.072 1.978 2.160 . 0 0 "[ . 1 . 2]" 1
248 1 18 CYS HB3 1 25 ILE H 4.660 . 4.660 3.595 3.282 3.879 . 0 0 "[ . 1 . 2]" 1
249 1 19 THR H 1 19 THR HB 2.880 . 2.880 2.211 2.057 2.474 . 0 0 "[ . 1 . 2]" 1
250 1 19 THR H 1 19 THR MG 3.660 . 3.660 3.646 3.560 3.695 0.035 1 0 "[ . 1 . 2]" 1
251 1 19 THR H 1 20 GLU H 3.240 . 3.240 2.698 2.617 2.872 . 0 0 "[ . 1 . 2]" 1
252 1 19 THR H 1 20 GLU HB2 4.390 . 4.390 4.428 4.400 4.455 0.065 20 0 "[ . 1 . 2]" 1
253 1 19 THR HA 1 19 THR HB 2.890 . 2.890 2.960 2.942 2.987 0.097 20 0 "[ . 1 . 2]" 1
254 1 19 THR HA 1 19 THR MG 2.930 . 2.930 2.590 2.345 2.702 . 0 0 "[ . 1 . 2]" 1
255 1 19 THR HB 1 20 GLU H 3.220 . 3.220 2.541 2.364 2.712 . 0 0 "[ . 1 . 2]" 1
256 1 19 THR MG 1 20 GLU H 3.510 . 3.510 3.083 2.882 3.569 0.059 17 0 "[ . 1 . 2]" 1
257 1 19 THR MG 1 20 GLU HA 4.340 . 4.340 3.268 3.107 3.757 . 0 0 "[ . 1 . 2]" 1
258 1 19 THR MG 1 20 GLU HG3 4.380 . 4.380 4.477 4.179 4.535 0.155 3 0 "[ . 1 . 2]" 1
259 1 20 GLU H 1 20 GLU HB2 3.090 . 3.090 2.085 1.987 2.146 . 0 0 "[ . 1 . 2]" 1
260 1 20 GLU H 1 20 GLU HB3 3.440 . 3.440 3.421 3.328 3.474 0.034 20 0 "[ . 1 . 2]" 1
261 1 20 GLU H 1 20 GLU HG2 3.540 . 3.540 2.494 2.065 3.695 0.155 14 0 "[ . 1 . 2]" 1
262 1 20 GLU H 1 20 GLU HG3 3.500 . 3.500 3.326 2.480 3.544 0.044 7 0 "[ . 1 . 2]" 1
263 1 20 GLU HA 1 20 GLU HB2 2.870 . 2.870 2.904 2.894 2.921 0.051 11 0 "[ . 1 . 2]" 1
264 1 20 GLU HA 1 20 GLU HG2 3.480 . 3.480 2.698 2.108 3.536 0.056 1 0 "[ . 1 . 2]" 1
265 1 20 GLU HA 1 20 GLU HG3 3.500 . 3.500 3.359 2.143 3.605 0.105 4 0 "[ . 1 . 2]" 1
266 1 20 GLU HB2 1 21 LEU MD1 4.530 . 4.530 2.616 2.496 2.713 . 0 0 "[ . 1 . 2]" 1
267 1 20 GLU HB3 1 21 LEU H 3.040 . 3.040 3.149 3.049 3.205 0.165 16 0 "[ . 1 . 2]" 1
268 1 20 GLU HG2 1 21 LEU MD1 4.810 . 4.810 4.711 4.113 4.906 0.096 17 0 "[ . 1 . 2]" 1
269 1 20 GLU HG3 1 21 LEU MD1 4.500 . 4.500 4.517 4.353 4.686 0.186 14 0 "[ . 1 . 2]" 1
270 1 21 LEU H 1 21 LEU HB2 3.170 . 3.170 2.199 2.159 2.235 . 0 0 "[ . 1 . 2]" 1
271 1 21 LEU H 1 21 LEU HB3 3.420 . 3.420 3.474 3.447 3.494 0.074 16 0 "[ . 1 . 2]" 1
272 1 21 LEU H 1 21 LEU MD1 3.830 . 3.830 1.935 1.838 1.989 . 0 0 "[ . 1 . 2]" 1
273 1 21 LEU H 1 21 LEU MD2 3.810 . 3.810 3.941 3.865 3.996 0.186 2 0 "[ . 1 . 2]" 1
274 1 21 LEU H 1 21 LEU HG 3.300 . 3.300 3.357 3.199 3.456 0.156 1 0 "[ . 1 . 2]" 1
275 1 21 LEU H 1 22 GLN H 3.060 . 3.060 2.773 2.659 2.904 . 0 0 "[ . 1 . 2]" 1
276 1 21 LEU H 1 23 THR H 4.310 . 4.310 4.119 4.021 4.253 . 0 0 "[ . 1 . 2]" 1
277 1 21 LEU H 1 23 THR MG 4.030 . 4.030 3.962 3.881 4.032 0.002 20 0 "[ . 1 . 2]" 1
278 1 21 LEU HA 1 21 LEU MD2 3.660 . 3.660 3.527 3.404 3.647 . 0 0 "[ . 1 . 2]" 1
279 1 21 LEU HA 1 21 LEU HG 2.970 . 2.970 2.399 2.300 2.503 . 0 0 "[ . 1 . 2]" 1
280 1 21 LEU HA 1 22 GLN H 3.340 . 3.340 3.289 3.230 3.339 . 0 0 "[ . 1 . 2]" 1
281 1 21 LEU HA 1 22 GLN HB2 3.950 . 3.950 4.016 3.985 4.040 0.090 6 0 "[ . 1 . 2]" 1
282 1 21 LEU HA 1 23 THR MG 4.060 . 4.060 4.062 3.979 4.100 0.040 14 0 "[ . 1 . 2]" 1
283 1 21 LEU HB2 1 21 LEU MD1 3.500 . 3.500 2.184 2.101 2.269 . 0 0 "[ . 1 . 2]" 1
284 1 21 LEU HB2 1 21 LEU MD2 3.100 . 3.100 2.544 2.496 2.588 . 0 0 "[ . 1 . 2]" 1
285 1 21 LEU HB2 1 22 GLN H 4.640 . 4.640 3.486 3.307 3.669 . 0 0 "[ . 1 . 2]" 1
286 1 21 LEU HB2 1 23 THR HB 4.420 . 4.420 4.452 4.385 4.476 0.056 11 0 "[ . 1 . 2]" 1
287 1 21 LEU HB2 1 23 THR MG 3.840 . 3.840 2.204 2.132 2.263 . 0 0 "[ . 1 . 2]" 1
288 1 21 LEU HB3 1 21 LEU MD2 3.290 . 3.290 2.142 2.064 2.219 . 0 0 "[ . 1 . 2]" 1
289 1 21 LEU HB3 1 23 THR H 4.630 . 4.630 3.903 3.652 4.191 . 0 0 "[ . 1 . 2]" 1
290 1 21 LEU HB3 1 23 THR MG 3.780 . 3.780 2.115 1.981 2.293 . 0 0 "[ . 1 . 2]" 1
291 1 21 LEU MD1 1 22 GLN H 4.520 . 4.520 4.285 4.198 4.407 . 0 0 "[ . 1 . 2]" 1
292 1 21 LEU MD2 1 23 THR MG 3.750 . 3.750 2.825 2.562 3.099 . 0 0 "[ . 1 . 2]" 1
293 1 21 LEU MD2 1 28 ILE MD 2.820 . 2.820 2.623 2.376 2.834 0.014 6 0 "[ . 1 . 2]" 1
294 1 21 LEU MD2 1 28 ILE HG12 3.360 . 3.360 3.365 3.180 3.411 0.051 4 0 "[ . 1 . 2]" 1
295 1 21 LEU MD2 1 29 ILE H 4.600 . 4.600 2.994 2.503 3.442 . 0 0 "[ . 1 . 2]" 1
296 1 22 GLN H 1 22 GLN HA 2.600 . 2.600 2.265 2.239 2.299 . 0 0 "[ . 1 . 2]" 1
297 1 22 GLN H 1 22 GLN HB2 4.170 . 4.170 3.389 3.327 3.450 . 0 0 "[ . 1 . 2]" 1
298 1 22 GLN H 1 22 GLN QG 3.200 . 3.200 2.756 2.585 2.910 . 0 0 "[ . 1 . 2]" 1
299 1 22 GLN H 1 23 THR H 3.050 . 3.050 2.620 2.521 2.673 . 0 0 "[ . 1 . 2]" 1
300 1 22 GLN H 1 23 THR MG 4.100 . 4.100 3.909 3.792 4.000 . 0 0 "[ . 1 . 2]" 1
301 1 22 GLN HA 1 22 GLN QG 2.730 . 2.730 2.502 2.367 2.792 0.062 9 0 "[ . 1 . 2]" 1
302 1 22 GLN HA 1 23 THR H 2.880 . 2.880 2.833 2.689 2.894 0.014 3 0 "[ . 1 . 2]" 1
303 1 22 GLN HB2 1 23 THR H 4.030 . 4.030 4.052 3.948 4.076 0.046 7 0 "[ . 1 . 2]" 1
304 1 22 GLN HE22 1 22 GLN QG 3.720 . 3.720 3.312 3.185 3.506 . 0 0 "[ . 1 . 2]" 1
305 1 23 THR H 1 23 THR HB 3.530 . 3.530 3.188 3.142 3.225 . 0 0 "[ . 1 . 2]" 1
306 1 23 THR H 1 23 THR MG 3.200 . 3.200 2.424 2.323 2.490 . 0 0 "[ . 1 . 2]" 1
307 1 23 THR HA 1 23 THR MG 3.650 . 3.650 3.234 3.223 3.244 . 0 0 "[ . 1 . 2]" 1
308 1 23 THR HA 1 24 THR H 3.090 . 3.090 2.799 2.744 2.866 . 0 0 "[ . 1 . 2]" 1
309 1 23 THR HB 1 24 THR H 3.800 . 3.800 3.643 3.602 3.725 . 0 0 "[ . 1 . 2]" 1
310 1 23 THR MG 1 24 THR H 3.480 . 3.480 2.517 2.456 2.598 . 0 0 "[ . 1 . 2]" 1
311 1 23 THR MG 1 27 ASP H 5.270 . 5.270 3.955 3.879 4.040 . 0 0 "[ . 1 . 2]" 1
312 1 23 THR MG 1 27 ASP HB2 4.390 . 4.390 4.369 4.176 4.464 0.074 3 0 "[ . 1 . 2]" 1
313 1 23 THR MG 1 28 ILE H 4.650 . 4.650 2.896 2.802 3.101 . 0 0 "[ . 1 . 2]" 1
314 1 23 THR MG 1 28 ILE HA 3.500 . 3.500 2.505 2.228 2.783 . 0 0 "[ . 1 . 2]" 1
315 1 23 THR MG 1 28 ILE HB 3.380 . 3.380 2.361 2.143 2.542 . 0 0 "[ . 1 . 2]" 1
316 1 23 THR MG 1 28 ILE MD 3.990 . 3.990 3.495 3.163 3.745 . 0 0 "[ . 1 . 2]" 1
317 1 23 THR MG 1 28 ILE MG 3.570 . 3.570 3.493 3.317 3.587 0.017 20 0 "[ . 1 . 2]" 1
318 1 24 THR H 1 25 ILE H 4.730 . 4.730 4.437 4.400 4.489 . 0 0 "[ . 1 . 2]" 1
319 1 24 THR H 1 26 HIS H 4.740 . 4.740 4.123 3.976 4.209 . 0 0 "[ . 1 . 2]" 1
320 1 24 THR H 1 27 ASP H 4.110 . 4.110 3.737 3.599 3.955 . 0 0 "[ . 1 . 2]" 1
321 1 24 THR H 1 27 ASP HB2 3.740 . 3.740 3.641 3.550 3.744 0.004 6 0 "[ . 1 . 2]" 1
322 1 24 THR H 1 27 ASP HB3 3.650 . 3.650 2.659 2.570 2.846 . 0 0 "[ . 1 . 2]" 1
323 1 24 THR H 1 28 ILE H 4.410 . 4.410 3.805 3.587 3.915 . 0 0 "[ . 1 . 2]" 1
324 1 24 THR H 1 28 ILE HB 4.750 . 4.750 4.560 4.366 4.759 0.009 16 0 "[ . 1 . 2]" 1
325 1 24 THR HA 1 24 THR MG 3.090 . 3.090 2.138 2.110 2.175 . 0 0 "[ . 1 . 2]" 1
326 1 24 THR HA 1 25 ILE H 2.980 . 2.980 2.587 2.530 2.640 . 0 0 "[ . 1 . 2]" 1
327 1 24 THR HB 1 25 ILE H 3.100 . 3.100 2.818 2.630 2.989 . 0 0 "[ . 1 . 2]" 1
328 1 24 THR HB 1 25 ILE HB 4.200 . 4.200 4.290 4.269 4.320 0.120 9 0 "[ . 1 . 2]" 1
329 1 24 THR HB 1 26 HIS H 3.090 . 3.090 2.276 2.124 2.383 . 0 0 "[ . 1 . 2]" 1
330 1 24 THR HB 1 26 HIS HD2 2.910 . 2.910 2.923 2.823 2.971 0.061 4 0 "[ . 1 . 2]" 1
331 1 24 THR HB 1 27 ASP HB2 4.560 . 4.560 4.635 4.584 4.670 0.110 6 0 "[ . 1 . 2]" 1
332 1 24 THR MG 1 25 ILE H 3.900 . 3.900 1.783 1.754 1.847 0.046 2 0 "[ . 1 . 2]" 1
333 1 24 THR MG 1 26 HIS H 4.110 . 4.110 3.188 3.022 3.356 . 0 0 "[ . 1 . 2]" 1
334 1 24 THR MG 1 26 HIS HD2 3.550 . 3.550 3.160 2.990 3.410 . 0 0 "[ . 1 . 2]" 1
335 1 24 THR MG 1 45 TYR QE 4.830 . 4.830 4.820 4.723 4.921 0.091 2 0 "[ . 1 . 2]" 1
336 1 25 ILE H 1 25 ILE HB 3.150 . 3.150 2.609 2.547 2.654 . 0 0 "[ . 1 . 2]" 1
337 1 25 ILE H 1 25 ILE MD 4.320 . 4.320 3.514 3.478 3.545 . 0 0 "[ . 1 . 2]" 1
338 1 25 ILE H 1 25 ILE HG12 3.760 . 3.760 2.603 2.538 2.733 . 0 0 "[ . 1 . 2]" 1
339 1 25 ILE H 1 25 ILE HG13 3.840 . 3.840 1.782 1.748 1.808 0.052 2 0 "[ . 1 . 2]" 1
340 1 25 ILE H 1 25 ILE MG 3.610 . 3.610 3.676 3.654 3.688 0.078 3 0 "[ . 1 . 2]" 1
341 1 25 ILE H 1 26 HIS H 3.660 . 3.660 2.600 2.524 2.700 . 0 0 "[ . 1 . 2]" 1
342 1 25 ILE H 1 27 ASP H 4.600 . 4.600 4.269 4.196 4.324 . 0 0 "[ . 1 . 2]" 1
343 1 25 ILE H 1 28 ILE MG 5.040 . 5.040 3.804 3.679 3.863 . 0 0 "[ . 1 . 2]" 1
344 1 25 ILE HA 1 25 ILE MD 3.560 . 3.560 3.642 3.616 3.677 0.117 10 0 "[ . 1 . 2]" 1
345 1 25 ILE HA 1 25 ILE HG12 3.170 . 3.170 2.388 2.348 2.441 . 0 0 "[ . 1 . 2]" 1
346 1 25 ILE HA 1 25 ILE HG13 3.090 . 3.090 3.215 3.174 3.240 0.150 18 0 "[ . 1 . 2]" 1
347 1 25 ILE HA 1 25 ILE MG 3.270 . 3.270 2.275 2.218 2.334 . 0 0 "[ . 1 . 2]" 1
348 1 25 ILE HA 1 27 ASP H 3.840 . 3.840 3.726 3.563 3.847 0.007 4 0 "[ . 1 . 2]" 1
349 1 25 ILE HA 1 28 ILE H 4.170 . 4.170 3.600 3.436 3.756 . 0 0 "[ . 1 . 2]" 1
350 1 25 ILE HA 1 28 ILE MD 3.950 . 3.950 3.815 3.606 3.943 . 0 0 "[ . 1 . 2]" 1
351 1 25 ILE HA 1 28 ILE MG 3.160 . 3.160 1.831 1.781 1.918 0.019 8 0 "[ . 1 . 2]" 1
352 1 25 ILE HB 1 25 ILE MD 3.460 . 3.460 2.582 2.538 2.626 . 0 0 "[ . 1 . 2]" 1
353 1 25 ILE HB 1 26 HIS H 4.420 . 4.420 2.781 2.664 2.903 . 0 0 "[ . 1 . 2]" 1
354 1 25 ILE HB 1 45 TYR QD 3.770 . 3.770 3.414 3.072 3.540 . 0 0 "[ . 1 . 2]" 1
355 1 25 ILE HB 1 45 TYR QE 4.250 . 4.250 2.250 2.092 2.439 . 0 0 "[ . 1 . 2]" 1
356 1 25 ILE MD 1 25 ILE MG 2.910 . 2.910 1.821 1.785 1.870 0.015 2 0 "[ . 1 . 2]" 1
357 1 25 ILE MD 1 26 HIS H 5.310 . 5.310 4.778 4.666 4.866 . 0 0 "[ . 1 . 2]" 1
358 1 25 ILE MD 1 26 HIS HE1 4.230 . 4.230 2.941 2.744 3.202 . 0 0 "[ . 1 . 2]" 1
359 1 25 ILE MD 1 45 TYR HA 3.130 . 3.130 3.175 3.012 3.265 0.135 10 0 "[ . 1 . 2]" 1
360 1 25 ILE MD 1 45 TYR QD 3.250 . 3.250 2.771 2.648 3.125 . 0 0 "[ . 1 . 2]" 1
361 1 25 ILE MD 1 45 TYR QE 3.920 . 3.920 3.384 3.199 3.931 0.011 2 0 "[ . 1 . 2]" 1
362 1 25 ILE MD 1 48 ALA H 4.220 . 4.220 3.784 3.558 4.053 . 0 0 "[ . 1 . 2]" 1
363 1 25 ILE MD 1 48 ALA MB 3.410 . 3.410 2.172 2.034 2.447 . 0 0 "[ . 1 . 2]" 1
364 1 25 ILE HG12 1 25 ILE MG 3.480 . 3.480 2.491 2.421 2.538 . 0 0 "[ . 1 . 2]" 1
365 1 25 ILE HG12 1 26 HIS H 4.680 . 4.680 4.570 4.520 4.636 . 0 0 "[ . 1 . 2]" 1
366 1 25 ILE HG12 1 26 HIS HE1 4.370 . 4.370 4.562 4.527 4.585 0.215 10 0 "[ . 1 . 2]" 1
367 1 25 ILE HG12 1 28 ILE MG 4.120 . 4.120 3.511 3.415 3.611 . 0 0 "[ . 1 . 2]" 1
368 1 25 ILE HG12 1 45 TYR QE 5.020 . 5.020 4.994 4.831 5.112 0.092 4 0 "[ . 1 . 2]" 1
369 1 25 ILE MG 1 26 HIS H 3.880 . 3.880 3.797 3.699 3.906 0.026 2 0 "[ . 1 . 2]" 1
370 1 25 ILE MG 1 26 HIS HE1 4.320 . 4.320 3.852 3.687 4.045 . 0 0 "[ . 1 . 2]" 1
371 1 25 ILE MG 1 45 TYR HA 3.610 . 3.610 2.443 2.203 2.742 . 0 0 "[ . 1 . 2]" 1
372 1 25 ILE MG 1 45 TYR QD 3.940 . 3.940 2.206 1.844 2.433 . 0 0 "[ . 1 . 2]" 1
373 1 25 ILE MG 1 45 TYR QE 3.410 . 3.410 2.703 2.379 3.001 . 0 0 "[ . 1 . 2]" 1
374 1 26 HIS H 1 26 HIS HB2 3.520 . 3.520 2.548 2.488 2.600 . 0 0 "[ . 1 . 2]" 1
375 1 26 HIS H 1 26 HIS HB3 3.410 . 3.410 3.461 3.451 3.476 0.066 2 0 "[ . 1 . 2]" 1
376 1 26 HIS H 1 26 HIS HE1 4.670 . 4.670 3.878 3.802 4.009 . 0 0 "[ . 1 . 2]" 1
377 1 26 HIS H 1 27 ASP H 3.320 . 3.320 2.424 2.357 2.507 . 0 0 "[ . 1 . 2]" 1
378 1 26 HIS H 1 27 ASP HA 5.260 . 5.260 5.055 5.003 5.133 . 0 0 "[ . 1 . 2]" 1
379 1 26 HIS H 1 28 ILE H 4.390 . 4.390 3.826 3.711 3.912 . 0 0 "[ . 1 . 2]" 1
380 1 26 HIS HA 1 26 HIS HB2 3.000 . 3.000 3.008 2.993 3.019 0.019 20 0 "[ . 1 . 2]" 1
381 1 26 HIS HA 1 26 HIS HE1 4.890 . 4.890 4.872 4.765 4.937 0.047 2 0 "[ . 1 . 2]" 1
382 1 26 HIS HA 1 45 TYR QE 3.320 . 3.320 3.352 2.570 3.434 0.114 18 0 "[ . 1 . 2]" 1
383 1 26 HIS HB2 1 26 HIS HD2 3.390 . 3.390 2.696 2.641 2.764 . 0 0 "[ . 1 . 2]" 1
384 1 26 HIS HB2 1 27 ASP H 4.440 . 4.440 3.290 3.173 3.487 . 0 0 "[ . 1 . 2]" 1
385 1 26 HIS HB3 1 26 HIS HD2 3.150 . 3.150 3.256 3.227 3.278 0.128 10 0 "[ . 1 . 2]" 1
386 1 26 HIS HB3 1 27 ASP H 4.220 . 4.220 4.300 4.263 4.347 0.127 2 0 "[ . 1 . 2]" 1
387 1 26 HIS HE1 1 45 TYR QD 4.330 . 4.330 3.959 3.752 4.215 . 0 0 "[ . 1 . 2]" 1
388 1 26 HIS HE1 1 45 TYR QE 3.670 . 3.670 2.581 2.383 3.485 . 0 0 "[ . 1 . 2]" 1
389 1 27 ASP H 1 27 ASP HB2 3.650 . 3.650 3.082 2.979 3.250 . 0 0 "[ . 1 . 2]" 1
390 1 27 ASP H 1 27 ASP HB3 3.580 . 3.580 2.679 2.546 2.879 . 0 0 "[ . 1 . 2]" 1
391 1 27 ASP H 1 28 ILE H 3.040 . 3.040 1.834 1.795 1.880 0.005 3 0 "[ . 1 . 2]" 1
392 1 27 ASP H 1 28 ILE HA 4.770 . 4.770 4.510 4.475 4.562 . 0 0 "[ . 1 . 2]" 1
393 1 27 ASP H 1 28 ILE HB 4.100 . 4.100 4.164 4.117 4.203 0.103 12 0 "[ . 1 . 2]" 1
394 1 27 ASP H 1 28 ILE MG 4.290 . 4.290 2.825 2.673 2.929 . 0 0 "[ . 1 . 2]" 1
395 1 27 ASP HB2 1 28 ILE H 4.180 . 4.180 3.885 3.806 3.947 . 0 0 "[ . 1 . 2]" 1
396 1 27 ASP HB3 1 28 ILE H 3.980 . 3.980 2.678 2.541 2.825 . 0 0 "[ . 1 . 2]" 1
397 1 27 ASP HB3 1 28 ILE HA 4.160 . 4.160 4.098 3.983 4.173 0.013 8 0 "[ . 1 . 2]" 1
398 1 28 ILE H 1 28 ILE HB 3.040 . 3.040 2.542 2.518 2.591 . 0 0 "[ . 1 . 2]" 1
399 1 28 ILE H 1 28 ILE MG 3.210 . 3.210 2.018 1.946 2.089 . 0 0 "[ . 1 . 2]" 1
400 1 28 ILE H 1 29 ILE H 4.620 . 4.620 4.581 4.531 4.624 0.004 16 0 "[ . 1 . 2]" 1
401 1 28 ILE HA 1 28 ILE MD 4.050 . 4.050 3.762 3.734 3.796 . 0 0 "[ . 1 . 2]" 1
402 1 28 ILE HA 1 28 ILE HG12 3.190 . 3.190 3.235 3.211 3.253 0.063 20 0 "[ . 1 . 2]" 1
403 1 28 ILE HA 1 28 ILE HG13 3.710 . 3.710 2.554 2.510 2.619 . 0 0 "[ . 1 . 2]" 1
404 1 28 ILE HA 1 28 ILE MG 3.580 . 3.580 3.188 3.177 3.195 . 0 0 "[ . 1 . 2]" 1
405 1 28 ILE HA 1 29 ILE H 2.710 . 2.710 2.139 2.098 2.183 . 0 0 "[ . 1 . 2]" 1
406 1 28 ILE HB 1 28 ILE MD 3.270 . 3.270 2.418 2.389 2.442 . 0 0 "[ . 1 . 2]" 1
407 1 28 ILE MD 1 29 ILE H 4.680 . 4.680 4.194 4.059 4.316 . 0 0 "[ . 1 . 2]" 1
408 1 28 ILE MD 1 30 LEU HA 4.000 . 4.000 4.105 4.086 4.123 0.123 1 0 "[ . 1 . 2]" 1
409 1 28 ILE MD 1 30 LEU MD1 2.850 . 2.850 1.854 1.818 1.906 . 0 0 "[ . 1 . 2]" 1
410 1 28 ILE MD 1 30 LEU MD2 3.160 . 3.160 2.408 2.149 2.691 . 0 0 "[ . 1 . 2]" 1
411 1 28 ILE HG12 1 29 ILE H 3.380 . 3.380 3.159 3.004 3.281 . 0 0 "[ . 1 . 2]" 1
412 1 28 ILE HG12 1 30 LEU MD1 4.100 . 4.100 2.144 2.059 2.295 . 0 0 "[ . 1 . 2]" 1
413 1 28 ILE HG13 1 29 ILE H 3.590 . 3.590 2.613 2.422 2.758 . 0 0 "[ . 1 . 2]" 1
414 1 28 ILE HG13 1 30 LEU HA 4.490 . 4.490 4.601 4.565 4.641 0.151 16 0 "[ . 1 . 2]" 1
415 1 28 ILE HG13 1 30 LEU MD1 3.380 . 3.380 2.817 2.706 2.905 . 0 0 "[ . 1 . 2]" 1
416 1 28 ILE MG 1 29 ILE H 4.040 . 4.040 4.010 3.933 4.052 0.012 11 0 "[ . 1 . 2]" 1
417 1 28 ILE MG 1 30 LEU MD2 3.680 . 3.680 3.191 3.029 3.356 . 0 0 "[ . 1 . 2]" 1
418 1 29 ILE H 1 29 ILE HB 3.170 . 3.170 2.424 2.365 2.507 . 0 0 "[ . 1 . 2]" 1
419 1 29 ILE H 1 29 ILE MD 4.450 . 4.450 3.602 3.346 3.767 . 0 0 "[ . 1 . 2]" 1
420 1 29 ILE H 1 29 ILE HG12 4.260 . 4.260 2.629 2.517 2.716 . 0 0 "[ . 1 . 2]" 1
421 1 29 ILE H 1 29 ILE HG13 3.860 . 3.860 3.910 3.880 3.942 0.082 8 0 "[ . 1 . 2]" 1
422 1 29 ILE H 1 29 ILE MG 3.620 . 3.620 3.701 3.677 3.730 0.110 2 0 "[ . 1 . 2]" 1
423 1 29 ILE HA 1 29 ILE MD 3.270 . 3.270 2.083 2.033 2.127 . 0 0 "[ . 1 . 2]" 1
424 1 29 ILE HA 1 29 ILE HG13 3.680 . 3.680 3.727 3.706 3.746 0.066 19 0 "[ . 1 . 2]" 1
425 1 29 ILE HA 1 29 ILE MG 3.150 . 3.150 2.419 2.319 2.496 . 0 0 "[ . 1 . 2]" 1
426 1 29 ILE HA 1 30 LEU H 2.770 . 2.770 1.877 1.816 1.946 . 0 0 "[ . 1 . 2]" 1
427 1 29 ILE HA 1 30 LEU MD1 3.890 . 3.890 4.194 4.156 4.210 0.320 13 0 "[ . 1 . 2]" 1
428 1 29 ILE HB 1 29 ILE MD 3.420 . 3.420 3.247 3.231 3.256 . 0 0 "[ . 1 . 2]" 1
429 1 29 ILE HB 1 29 ILE HG12 2.780 . 2.780 2.439 2.410 2.478 . 0 0 "[ . 1 . 2]" 1
430 1 29 ILE HB 1 30 LEU H 4.660 . 4.660 4.309 4.243 4.375 . 0 0 "[ . 1 . 2]" 1
431 1 29 ILE MD 1 30 LEU H 3.690 . 3.690 3.500 3.369 3.692 0.002 19 0 "[ . 1 . 2]" 1
432 1 29 ILE MD 1 38 GLN HE21 4.260 . 4.260 3.349 2.443 4.311 0.051 16 0 "[ . 1 . 2]" 1
433 1 29 ILE MD 1 38 GLN HE22 4.180 . 4.180 3.176 2.248 4.204 0.024 9 0 "[ . 1 . 2]" 1
434 1 29 ILE HG12 1 29 ILE MG 3.250 . 3.250 3.203 3.194 3.213 . 0 0 "[ . 1 . 2]" 1
435 1 29 ILE HG13 1 29 ILE MG 3.200 . 3.200 2.363 2.303 2.417 . 0 0 "[ . 1 . 2]" 1
436 1 29 ILE MG 1 30 LEU H 3.530 . 3.530 3.005 2.820 3.233 . 0 0 "[ . 1 . 2]" 1
437 1 29 ILE MG 1 30 LEU HA 3.840 . 3.840 3.649 3.498 3.781 . 0 0 "[ . 1 . 2]" 1
438 1 29 ILE MG 1 31 GLU H 5.070 . 5.070 4.242 4.067 4.480 . 0 0 "[ . 1 . 2]" 1
439 1 29 ILE MG 1 38 GLN HE21 3.960 . 3.960 2.964 1.906 3.989 0.029 19 0 "[ . 1 . 2]" 1
440 1 29 ILE MG 1 38 GLN HE22 4.230 . 4.230 3.217 2.543 3.947 . 0 0 "[ . 1 . 2]" 1
441 1 29 ILE MG 1 38 GLN HG2 3.720 . 3.720 2.587 2.059 3.315 . 0 0 "[ . 1 . 2]" 1
442 1 29 ILE MG 1 38 GLN HG3 4.070 . 4.070 3.054 2.083 3.877 . 0 0 "[ . 1 . 2]" 1
443 1 29 ILE MG 1 39 LEU H 4.870 . 4.870 4.770 4.114 4.960 0.090 2 0 "[ . 1 . 2]" 1
444 1 30 LEU H 1 30 LEU HB2 3.500 . 3.500 2.395 2.238 2.485 . 0 0 "[ . 1 . 2]" 1
445 1 30 LEU H 1 30 LEU HB3 4.160 . 4.160 3.031 2.961 3.087 . 0 0 "[ . 1 . 2]" 1
446 1 30 LEU H 1 30 LEU MD1 4.460 . 4.460 3.348 3.191 3.437 . 0 0 "[ . 1 . 2]" 1
447 1 30 LEU H 1 30 LEU MD2 4.400 . 4.400 4.266 4.122 4.359 . 0 0 "[ . 1 . 2]" 1
448 1 30 LEU H 1 31 GLU H 4.410 . 4.410 4.318 4.233 4.427 0.017 9 0 "[ . 1 . 2]" 1
449 1 30 LEU H 1 39 LEU H 4.510 . 4.510 4.261 4.041 4.503 . 0 0 "[ . 1 . 2]" 1
450 1 30 LEU H 1 44 VAL MG1 4.270 . 4.270 4.040 3.716 4.269 . 0 0 "[ . 1 . 2]" 1
451 1 30 LEU HA 1 30 LEU HB3 2.970 . 2.970 2.861 2.827 2.877 . 0 0 "[ . 1 . 2]" 1
452 1 30 LEU HA 1 30 LEU MD1 2.950 . 2.950 1.797 1.783 1.816 0.017 11 0 "[ . 1 . 2]" 1
453 1 30 LEU HA 1 30 LEU MD2 3.710 . 3.710 3.610 3.587 3.638 . 0 0 "[ . 1 . 2]" 1
454 1 30 LEU HA 1 30 LEU HG 3.720 . 3.720 2.596 2.554 2.652 . 0 0 "[ . 1 . 2]" 1
455 1 30 LEU HA 1 31 GLU H 2.740 . 2.740 2.328 2.050 2.457 . 0 0 "[ . 1 . 2]" 1
456 1 30 LEU HA 1 62 TYR QD 4.580 . 4.580 4.248 3.974 4.832 0.252 16 0 "[ . 1 . 2]" 1
457 1 30 LEU HA 1 63 ALA MB 3.990 . 3.990 4.165 4.110 4.204 0.214 3 0 "[ . 1 . 2]" 1
458 1 30 LEU HB2 1 30 LEU MD2 3.120 . 3.120 2.261 2.226 2.294 . 0 0 "[ . 1 . 2]" 1
459 1 30 LEU HB2 1 31 GLU H 4.490 . 4.490 4.457 4.320 4.493 0.003 6 0 "[ . 1 . 2]" 1
460 1 30 LEU HB2 1 63 ALA MB 3.850 . 3.850 3.469 3.279 3.552 . 0 0 "[ . 1 . 2]" 1
461 1 30 LEU HB3 1 30 LEU MD1 3.490 . 3.490 3.075 3.058 3.091 . 0 0 "[ . 1 . 2]" 1
462 1 30 LEU HB3 1 30 LEU MD2 3.450 . 3.450 2.364 2.338 2.402 . 0 0 "[ . 1 . 2]" 1
463 1 30 LEU HB3 1 31 GLU H 3.680 . 3.680 3.586 3.456 3.675 . 0 0 "[ . 1 . 2]" 1
464 1 30 LEU HB3 1 63 ALA MB 4.110 . 4.110 2.170 1.993 2.254 . 0 0 "[ . 1 . 2]" 1
465 1 30 LEU MD1 1 31 GLU H 3.790 . 3.790 3.296 3.086 3.375 . 0 0 "[ . 1 . 2]" 1
466 1 30 LEU MD1 1 63 ALA H 4.670 . 4.670 4.192 4.020 4.404 . 0 0 "[ . 1 . 2]" 1
467 1 30 LEU MD2 1 31 GLU H 4.560 . 4.560 4.600 4.498 4.654 0.094 6 0 "[ . 1 . 2]" 1
468 1 30 LEU MD2 1 44 VAL HA 4.170 . 4.170 4.201 4.177 4.231 0.061 7 0 "[ . 1 . 2]" 1
469 1 30 LEU MD2 1 44 VAL MG1 3.190 . 3.190 2.633 2.479 2.775 . 0 0 "[ . 1 . 2]" 1
470 1 30 LEU MD2 1 63 ALA H 4.700 . 4.700 3.637 3.519 3.883 . 0 0 "[ . 1 . 2]" 1
471 1 30 LEU MD2 1 63 ALA MB 3.380 . 3.380 1.892 1.857 1.937 . 0 0 "[ . 1 . 2]" 1
472 1 30 LEU MD2 1 64 VAL H 5.030 . 5.030 4.717 4.634 4.808 . 0 0 "[ . 1 . 2]" 1
473 1 30 LEU HG 1 31 GLU H 4.570 . 4.570 3.168 3.046 3.256 . 0 0 "[ . 1 . 2]" 1
474 1 30 LEU HG 1 63 ALA MB 4.830 . 4.830 2.420 2.332 2.596 . 0 0 "[ . 1 . 2]" 1
475 1 31 GLU H 1 31 GLU HB2 3.640 . 3.640 3.729 3.461 3.788 0.148 6 0 "[ . 1 . 2]" 1
476 1 31 GLU H 1 31 GLU HB3 3.890 . 3.890 3.513 3.452 3.574 . 0 0 "[ . 1 . 2]" 1
477 1 31 GLU H 1 31 GLU QG 3.120 . 3.120 2.275 1.847 2.817 . 0 0 "[ . 1 . 2]" 1
478 1 31 GLU H 1 62 TYR HA 4.210 . 4.210 2.239 2.104 2.338 . 0 0 "[ . 1 . 2]" 1
479 1 31 GLU H 1 62 TYR QD 4.300 . 4.300 2.143 1.882 2.902 . 0 0 "[ . 1 . 2]" 1
480 1 31 GLU H 1 63 ALA H 3.900 . 3.900 3.146 2.988 3.332 . 0 0 "[ . 1 . 2]" 1
481 1 31 GLU H 1 63 ALA MB 5.230 . 5.230 4.002 3.915 4.096 . 0 0 "[ . 1 . 2]" 1
482 1 31 GLU HA 1 31 GLU HB2 2.870 . 2.870 2.415 2.335 2.579 . 0 0 "[ . 1 . 2]" 1
483 1 31 GLU HA 1 31 GLU QG 3.020 . 3.020 3.191 3.072 3.306 0.286 6 0 "[ . 1 . 2]" 1
484 1 31 GLU HA 1 32 CYS H 3.060 . 3.060 2.659 2.573 2.764 . 0 0 "[ . 1 . 2]" 1
485 1 31 GLU HA 1 32 CYS HA 4.260 . 4.260 4.228 4.145 4.284 0.024 5 0 "[ . 1 . 2]" 1
486 1 31 GLU HA 1 38 GLN H 4.510 . 4.510 4.592 4.549 4.644 0.134 9 0 "[ . 1 . 2]" 1
487 1 31 GLU HA 1 38 GLN HA 2.850 . 2.850 2.092 1.949 2.181 . 0 0 "[ . 1 . 2]" 1
488 1 31 GLU HA 1 38 GLN HG2 3.740 . 3.740 3.716 3.457 3.811 0.071 17 0 "[ . 1 . 2]" 1
489 1 31 GLU HA 1 39 LEU H 3.510 . 3.510 2.181 1.898 2.371 . 0 0 "[ . 1 . 2]" 1
490 1 31 GLU HA 1 39 LEU MD1 3.800 . 3.800 2.544 2.420 2.685 . 0 0 "[ . 1 . 2]" 1
491 1 31 GLU HB2 1 32 CYS H 3.700 . 3.700 1.958 1.793 2.097 0.007 6 0 "[ . 1 . 2]" 1
492 1 31 GLU HB2 1 38 GLN HA 3.300 . 3.300 2.858 2.680 3.102 . 0 0 "[ . 1 . 2]" 1
493 1 31 GLU HB2 1 39 LEU H 4.020 . 4.020 4.127 4.088 4.228 0.208 16 0 "[ . 1 . 2]" 1
494 1 31 GLU HB2 1 62 TYR HB2 5.340 . 5.340 5.546 5.468 5.609 0.269 5 0 "[ . 1 . 2]" 1
495 1 31 GLU HB3 1 32 CYS H 4.160 . 4.160 3.391 3.042 3.506 . 0 0 "[ . 1 . 2]" 1
496 1 31 GLU HB3 1 62 TYR QD 3.670 . 3.670 3.889 3.684 3.930 0.260 18 0 "[ . 1 . 2]" 1
497 1 31 GLU QG 1 32 CYS H 3.490 . 3.490 3.483 3.247 3.708 0.218 16 0 "[ . 1 . 2]" 1
498 1 31 GLU QG 1 39 LEU MD1 4.600 . 4.600 4.554 4.485 4.608 0.008 11 0 "[ . 1 . 2]" 1
499 1 31 GLU QG 1 62 TYR HB2 4.190 . 4.190 4.328 4.235 4.519 0.329 16 0 "[ . 1 . 2]" 1
500 1 31 GLU QG 1 62 TYR QD 3.200 . 3.200 1.706 1.636 1.748 0.164 7 0 "[ . 1 . 2]" 1
501 1 31 GLU QG 1 62 TYR QE 3.300 . 3.300 2.293 2.065 2.534 . 0 0 "[ . 1 . 2]" 1
502 1 32 CYS H 1 32 CYS HB2 3.100 . 3.100 2.448 2.304 2.612 . 0 0 "[ . 1 . 2]" 1
503 1 32 CYS H 1 32 CYS HB3 3.370 . 3.370 2.851 2.472 3.413 0.043 5 0 "[ . 1 . 2]" 1
504 1 32 CYS H 1 39 LEU H 3.930 . 3.930 3.801 3.685 3.957 0.027 6 0 "[ . 1 . 2]" 1
505 1 32 CYS H 1 39 LEU MD1 3.720 . 3.720 2.642 2.528 2.948 . 0 0 "[ . 1 . 2]" 1
506 1 32 CYS H 1 65 CYS H 4.770 . 4.770 4.986 4.908 5.061 0.291 7 0 "[ . 1 . 2]" 1
507 1 32 CYS HA 1 33 VAL H 3.100 . 3.100 1.908 1.858 1.969 . 0 0 "[ . 1 . 2]" 1
508 1 32 CYS HA 1 33 VAL MG1 5.390 . 5.390 3.119 3.001 3.227 . 0 0 "[ . 1 . 2]" 1
509 1 32 CYS HA 1 39 LEU MD1 4.070 . 4.070 2.681 2.544 2.786 . 0 0 "[ . 1 . 2]" 1
510 1 32 CYS HA 1 62 TYR HB2 3.900 . 3.900 3.696 3.500 3.947 0.047 16 0 "[ . 1 . 2]" 1
511 1 32 CYS HA 1 62 TYR QD 4.660 . 4.660 4.592 3.620 4.769 0.109 12 0 "[ . 1 . 2]" 1
512 1 32 CYS HA 1 63 ALA MB 4.510 . 4.510 3.637 3.480 3.889 . 0 0 "[ . 1 . 2]" 1
513 1 32 CYS HA 1 64 VAL HA 4.400 . 4.400 3.451 3.185 3.666 . 0 0 "[ . 1 . 2]" 1
514 1 32 CYS HA 1 65 CYS H 3.980 . 3.980 3.240 3.042 3.625 . 0 0 "[ . 1 . 2]" 1
515 1 32 CYS HB2 1 35 CYS H 4.020 . 4.020 3.147 2.174 3.882 . 0 0 "[ . 1 . 2]" 1
516 1 32 CYS HB2 1 36 LYS H 3.790 . 3.790 3.414 1.948 3.905 0.115 10 0 "[ . 1 . 2]" 1
517 1 32 CYS HB2 1 37 GLN H 3.670 . 3.670 2.827 1.779 3.670 0.021 14 0 "[ . 1 . 2]" 1
518 1 32 CYS HB2 1 39 LEU MD1 4.070 . 4.070 3.087 2.619 4.100 0.030 18 0 "[ . 1 . 2]" 1
519 1 32 CYS HB2 1 65 CYS H 5.160 . 5.160 3.675 2.974 5.240 0.080 12 0 "[ . 1 . 2]" 1
520 1 32 CYS HB3 1 33 VAL H 4.610 . 4.610 3.578 2.715 3.886 . 0 0 "[ . 1 . 2]" 1
521 1 32 CYS HB3 1 34 TYR H 4.850 . 4.850 3.124 2.103 3.721 . 0 0 "[ . 1 . 2]" 1
522 1 32 CYS HB3 1 35 CYS H 3.510 . 3.510 2.035 1.720 3.210 0.080 13 0 "[ . 1 . 2]" 1
523 1 32 CYS HB3 1 36 LYS H 4.030 . 4.030 2.332 2.107 3.115 . 0 0 "[ . 1 . 2]" 1
524 1 33 VAL H 1 33 VAL HB 3.480 . 3.480 2.749 2.633 3.010 . 0 0 "[ . 1 . 2]" 1
525 1 33 VAL H 1 33 VAL MG1 3.780 . 3.780 1.763 1.719 1.788 0.081 13 0 "[ . 1 . 2]" 1
526 1 33 VAL H 1 33 VAL MG2 4.450 . 4.450 3.640 3.572 3.679 . 0 0 "[ . 1 . 2]" 1
527 1 33 VAL H 1 34 TYR H 3.690 . 3.690 2.448 2.192 2.609 . 0 0 "[ . 1 . 2]" 1
528 1 33 VAL H 1 34 TYR QD 4.800 . 4.800 4.556 4.195 4.753 . 0 0 "[ . 1 . 2]" 1
529 1 33 VAL H 1 62 TYR HB2 4.390 . 4.390 2.451 2.248 2.773 . 0 0 "[ . 1 . 2]" 1
530 1 33 VAL H 1 62 TYR HB3 4.360 . 4.360 2.728 2.314 3.063 . 0 0 "[ . 1 . 2]" 1
531 1 33 VAL H 1 62 TYR QD 4.660 . 4.660 4.078 3.563 4.312 . 0 0 "[ . 1 . 2]" 1
532 1 33 VAL H 1 63 ALA MB 4.870 . 4.870 4.520 4.342 4.878 0.008 8 0 "[ . 1 . 2]" 1
533 1 33 VAL H 1 64 VAL HA . . 3.870 3.656 3.396 3.945 0.075 13 0 "[ . 1 . 2]" 1
534 1 33 VAL H 1 65 CYS H 5.330 . 5.330 4.314 4.081 4.854 . 0 0 "[ . 1 . 2]" 1
535 1 33 VAL HA 1 33 VAL MG1 3.750 . 3.750 3.157 3.142 3.179 . 0 0 "[ . 1 . 2]" 1
536 1 33 VAL HA 1 33 VAL MG2 3.300 . 3.300 2.649 2.568 2.768 . 0 0 "[ . 1 . 2]" 1
537 1 33 VAL HA 1 34 TYR H 3.500 . 3.500 3.401 3.314 3.463 . 0 0 "[ . 1 . 2]" 1
538 1 33 VAL HA 1 62 TYR HB3 4.800 . 4.800 3.181 3.086 3.396 . 0 0 "[ . 1 . 2]" 1
539 1 33 VAL HA 1 62 TYR QE 3.650 . 3.650 3.666 3.436 3.750 0.100 10 0 "[ . 1 . 2]" 1
540 1 33 VAL HB 1 62 TYR H 5.500 . 5.500 3.941 3.841 4.053 . 0 0 "[ . 1 . 2]" 1
541 1 33 VAL HB 1 62 TYR HB3 3.670 . 3.670 3.287 3.128 3.366 . 0 0 "[ . 1 . 2]" 1
542 1 33 VAL MG1 1 34 TYR H 3.710 . 3.710 2.041 1.889 2.343 . 0 0 "[ . 1 . 2]" 1
543 1 33 VAL MG1 1 34 TYR HA 4.360 . 4.360 3.700 3.522 4.015 . 0 0 "[ . 1 . 2]" 1
544 1 33 VAL MG1 1 34 TYR QD 3.870 . 3.870 2.795 2.762 2.843 . 0 0 "[ . 1 . 2]" 1
545 1 33 VAL MG1 1 34 TYR QE 4.060 . 4.060 2.805 2.760 2.908 . 0 0 "[ . 1 . 2]" 1
546 1 33 VAL MG1 1 35 CYS H 5.050 . 5.050 4.120 3.972 4.382 . 0 0 "[ . 1 . 2]" 1
547 1 33 VAL MG1 1 55 VAL QG 3.590 . 3.590 1.791 1.774 1.823 0.026 13 0 "[ . 1 . 2]" 1
548 1 33 VAL MG1 1 55 VAL MG2 3.960 . 3.960 1.802 1.781 1.839 0.019 13 0 "[ . 1 . 2]" 1
549 1 33 VAL MG1 1 57 ARG HA 4.760 . 4.760 5.001 4.930 5.043 0.283 3 0 "[ . 1 . 2]" 1
550 1 33 VAL MG1 1 57 ARG HG2 4.930 . 4.930 4.122 4.002 4.314 . 0 0 "[ . 1 . 2]" 1
551 1 33 VAL MG1 1 62 TYR HB3 5.050 . 5.050 3.535 3.088 3.810 . 0 0 "[ . 1 . 2]" 1
552 1 33 VAL MG1 1 62 TYR QD 4.930 . 4.930 3.906 3.610 4.083 . 0 0 "[ . 1 . 2]" 1
553 1 33 VAL MG1 1 63 ALA HA 4.720 . 4.720 4.381 4.266 4.457 . 0 0 "[ . 1 . 2]" 1
554 1 33 VAL MG1 1 63 ALA MB 4.190 . 4.190 4.422 4.390 4.451 0.261 16 0 "[ . 1 . 2]" 1
555 1 33 VAL MG1 1 64 VAL HA 4.790 . 4.790 2.949 2.776 3.428 . 0 0 "[ . 1 . 2]" 1
556 1 33 VAL MG1 1 64 VAL MG1 5.290 . 5.290 3.972 3.711 4.294 . 0 0 "[ . 1 . 2]" 1
557 1 33 VAL MG2 1 34 TYR H 4.650 . 4.650 3.326 3.178 3.657 . 0 0 "[ . 1 . 2]" 1
558 1 33 VAL MG2 1 55 VAL QG 3.770 . 3.770 2.808 2.707 2.955 . 0 0 "[ . 1 . 2]" 1
559 1 33 VAL MG2 1 57 ARG HA 4.600 . 4.600 2.486 2.402 2.570 . 0 0 "[ . 1 . 2]" 1
560 1 33 VAL MG2 1 57 ARG HG2 4.630 . 4.630 1.876 1.796 1.980 0.004 16 0 "[ . 1 . 2]" 1
561 1 33 VAL MG2 1 57 ARG HG3 4.780 . 4.780 2.595 2.495 2.742 . 0 0 "[ . 1 . 2]" 1
562 1 33 VAL MG2 1 62 TYR HB2 3.360 . 3.360 3.404 3.362 3.461 0.101 5 0 "[ . 1 . 2]" 1
563 1 33 VAL MG2 1 62 TYR HB3 4.580 . 4.580 4.600 4.498 4.635 0.055 14 0 "[ . 1 . 2]" 1
564 1 33 VAL MG2 1 62 TYR QD 4.210 . 4.210 2.761 2.542 3.287 . 0 0 "[ . 1 . 2]" 1
565 1 33 VAL MG2 1 62 TYR QE 4.610 . 4.610 3.881 3.735 4.049 . 0 0 "[ . 1 . 2]" 1
566 1 34 TYR H 1 34 TYR HB2 3.610 . 3.610 2.618 2.574 2.790 . 0 0 "[ . 1 . 2]" 1
567 1 34 TYR H 1 34 TYR QD 3.830 . 3.830 3.230 3.146 3.431 . 0 0 "[ . 1 . 2]" 1
568 1 34 TYR H 1 35 CYS H 3.200 . 3.200 2.393 2.302 2.585 . 0 0 "[ . 1 . 2]" 1
569 1 34 TYR H 1 36 LYS H 4.100 . 4.100 3.520 3.201 3.718 . 0 0 "[ . 1 . 2]" 1
570 1 34 TYR H 1 57 ARG HG3 4.520 . 4.520 4.723 4.657 4.795 0.275 12 0 "[ . 1 . 2]" 1
571 1 34 TYR H 1 64 VAL MG2 5.190 . 5.190 4.927 4.682 5.223 0.033 7 0 "[ . 1 . 2]" 1
572 1 34 TYR HA 1 34 TYR QE 4.160 . 4.160 4.268 4.210 4.312 0.152 13 0 "[ . 1 . 2]" 1
573 1 34 TYR HA 1 36 LYS QE 4.810 . 4.810 4.045 2.988 4.896 0.086 12 0 "[ . 1 . 2]" 1
574 1 34 TYR HA 1 57 ARG HG2 4.240 . 4.240 4.066 3.917 4.225 . 0 0 "[ . 1 . 2]" 1
575 1 34 TYR HB2 1 35 CYS H 3.470 . 3.470 2.691 2.348 2.823 . 0 0 "[ . 1 . 2]" 1
576 1 34 TYR HB3 1 35 CYS H 4.010 . 4.010 3.849 3.546 3.959 . 0 0 "[ . 1 . 2]" 1
577 1 34 TYR QD 1 35 CYS H 4.480 . 4.480 4.273 4.046 4.367 . 0 0 "[ . 1 . 2]" 1
578 1 34 TYR QD 1 57 ARG HG2 3.330 . 3.330 3.469 3.422 3.547 0.217 5 0 "[ . 1 . 2]" 1
579 1 34 TYR QD 1 64 VAL MG1 3.670 . 3.670 3.412 3.196 3.675 0.005 18 0 "[ . 1 . 2]" 1
580 1 34 TYR QE 1 57 ARG HG2 3.530 . 3.530 3.651 3.590 3.725 0.195 9 0 "[ . 1 . 2]" 1
581 1 34 TYR QE 1 64 VAL HB 4.820 . 4.820 5.000 4.968 5.045 0.225 13 0 "[ . 1 . 2]" 1
582 1 34 TYR QE 1 64 VAL MG1 3.840 . 3.840 3.023 2.803 3.361 . 0 0 "[ . 1 . 2]" 1
583 1 34 TYR QE 1 64 VAL MG2 3.780 . 3.780 2.408 2.238 2.559 . 0 0 "[ . 1 . 2]" 1
584 1 35 CYS H 1 35 CYS HB2 3.830 . 3.830 2.716 2.539 3.815 . 0 0 "[ . 1 . 2]" 1
585 1 35 CYS H 1 35 CYS HB3 4.010 . 4.010 3.670 3.104 3.742 . 0 0 "[ . 1 . 2]" 1
586 1 35 CYS H 1 36 LYS H 3.150 . 3.150 2.230 2.188 2.321 . 0 0 "[ . 1 . 2]" 1
587 1 35 CYS H 1 36 LYS HA 4.220 . 4.220 4.261 4.224 4.318 0.098 13 0 "[ . 1 . 2]" 1
588 1 35 CYS H 1 37 GLN H 4.650 . 4.650 3.910 3.520 4.659 0.009 8 0 "[ . 1 . 2]" 1
589 1 35 CYS HB2 1 37 GLN H 4.570 . 4.570 2.749 2.243 4.602 0.032 9 0 "[ . 1 . 2]" 1
590 1 35 CYS HB2 1 37 GLN HE21 5.140 . 5.140 4.598 2.148 5.204 0.064 14 0 "[ . 1 . 2]" 1
591 1 35 CYS HB2 1 37 GLN QG 3.780 . 3.780 3.051 1.890 3.956 0.176 20 0 "[ . 1 . 2]" 1
592 1 36 LYS H 1 36 LYS HA 2.810 . 2.810 2.105 2.069 2.154 . 0 0 "[ . 1 . 2]" 1
593 1 36 LYS H 1 36 LYS QB 3.690 . 3.690 3.196 2.943 3.312 . 0 0 "[ . 1 . 2]" 1
594 1 36 LYS H 1 36 LYS HD2 3.670 . 3.670 2.472 2.134 3.766 0.096 4 0 "[ . 1 . 2]" 1
595 1 36 LYS H 1 36 LYS HG2 4.190 . 4.190 4.053 2.711 4.444 0.254 16 0 "[ . 1 . 2]" 1
596 1 36 LYS H 1 36 LYS HG3 3.990 . 3.990 3.811 3.219 4.190 0.200 1 0 "[ . 1 . 2]" 1
597 1 36 LYS H 1 37 GLN H 3.700 . 3.700 2.891 2.629 3.249 . 0 0 "[ . 1 . 2]" 1
598 1 36 LYS HA 1 36 LYS HD2 3.140 . 3.140 2.567 1.881 3.131 . 0 0 "[ . 1 . 2]" 1
599 1 36 LYS HA 1 36 LYS HD3 3.870 . 3.870 3.460 2.280 3.986 0.116 17 0 "[ . 1 . 2]" 1
600 1 36 LYS HA 1 36 LYS HG2 4.020 . 4.020 3.515 3.134 3.695 . 0 0 "[ . 1 . 2]" 1
601 1 36 LYS HA 1 36 LYS HG3 3.740 . 3.740 2.744 2.409 3.763 0.023 13 0 "[ . 1 . 2]" 1
602 1 36 LYS QB 1 36 LYS HD3 3.450 . 3.450 2.647 2.242 3.519 0.069 12 0 "[ . 1 . 2]" 1
603 1 36 LYS QB 1 36 LYS QE 4.000 . 4.000 3.707 3.069 3.883 . 0 0 "[ . 1 . 2]" 1
604 1 36 LYS HD3 1 36 LYS HG2 3.040 . 3.040 2.378 2.290 2.485 . 0 0 "[ . 1 . 2]" 1
605 1 37 GLN H 1 37 GLN HB2 3.280 . 3.280 3.210 2.252 3.562 0.282 8 0 "[ . 1 . 2]" 1
606 1 37 GLN H 1 37 GLN HB3 3.410 . 3.410 2.762 2.035 3.542 0.132 11 0 "[ . 1 . 2]" 1
607 1 37 GLN H 1 37 GLN HE21 4.840 . 4.840 3.963 2.186 4.843 0.003 11 0 "[ . 1 . 2]" 1
608 1 37 GLN H 1 37 GLN QG 3.150 . 3.150 2.684 1.910 3.448 0.298 17 0 "[ . 1 . 2]" 1
609 1 37 GLN H 1 38 GLN H 4.400 . 4.400 4.264 3.965 4.453 0.053 6 0 "[ . 1 . 2]" 1
610 1 37 GLN HA 1 37 GLN HB3 2.990 . 2.990 2.533 2.165 2.982 . 0 0 "[ . 1 . 2]" 1
611 1 37 GLN HA 1 37 GLN HE21 4.670 . 4.670 3.444 2.327 4.187 . 0 0 "[ . 1 . 2]" 1
612 1 37 GLN HA 1 37 GLN HE22 5.060 . 5.060 4.592 3.075 5.368 0.308 10 0 "[ . 1 . 2]" 1
613 1 37 GLN HA 1 37 GLN QG 3.350 . 3.350 3.178 2.513 3.424 0.074 19 0 "[ . 1 . 2]" 1
614 1 37 GLN HA 1 38 GLN H 2.600 . 2.600 2.153 1.936 2.414 . 0 0 "[ . 1 . 2]" 1
615 1 37 GLN HB2 1 38 GLN H 3.810 . 3.810 3.321 2.598 3.973 0.163 17 0 "[ . 1 . 2]" 1
616 1 37 GLN HB3 1 37 GLN HE21 4.810 . 4.810 2.893 1.700 4.334 0.100 13 0 "[ . 1 . 2]" 1
617 1 37 GLN HB3 1 37 GLN HE22 5.030 . 5.030 3.989 3.096 4.805 . 0 0 "[ . 1 . 2]" 1
618 1 37 GLN QG 1 38 GLN H 3.940 . 3.940 3.845 3.088 4.178 0.238 11 0 "[ . 1 . 2]" 1
619 1 38 GLN H 1 38 GLN HB2 2.820 . 2.820 2.067 1.963 2.206 . 0 0 "[ . 1 . 2]" 1
620 1 38 GLN H 1 38 GLN HB3 3.150 . 3.150 3.109 2.589 3.413 0.263 11 0 "[ . 1 . 2]" 1
621 1 38 GLN H 1 38 GLN HG2 4.490 . 4.490 3.967 3.392 4.385 . 0 0 "[ . 1 . 2]" 1
622 1 38 GLN H 1 38 GLN HG3 3.600 . 3.600 2.993 1.993 3.802 0.202 15 0 "[ . 1 . 2]" 1
623 1 38 GLN H 1 39 LEU H 4.450 . 4.450 4.402 4.256 4.481 0.031 17 0 "[ . 1 . 2]" 1
624 1 38 GLN HA 1 38 GLN HE21 5.230 . 5.230 4.422 4.198 4.635 . 0 0 "[ . 1 . 2]" 1
625 1 38 GLN HA 1 38 GLN HG2 3.950 . 3.950 2.510 2.409 2.678 . 0 0 "[ . 1 . 2]" 1
626 1 38 GLN HA 1 38 GLN HG3 3.610 . 3.610 2.470 2.293 2.652 . 0 0 "[ . 1 . 2]" 1
627 1 38 GLN HA 1 39 LEU H 2.900 . 2.900 2.087 1.974 2.223 . 0 0 "[ . 1 . 2]" 1
628 1 38 GLN HA 1 39 LEU MD1 4.090 . 4.090 3.506 3.312 3.743 . 0 0 "[ . 1 . 2]" 1
629 1 38 GLN HB2 1 38 GLN HE21 4.430 . 4.430 3.034 1.789 4.373 0.011 7 0 "[ . 1 . 2]" 1
630 1 38 GLN HB3 1 38 GLN HE21 4.720 . 4.720 3.138 2.035 4.492 . 0 0 "[ . 1 . 2]" 1
631 1 38 GLN HE21 1 38 GLN HG3 3.530 . 3.530 2.926 2.162 3.533 0.003 11 0 "[ . 1 . 2]" 1
632 1 38 GLN HG2 1 39 LEU H 4.320 . 4.320 3.489 2.647 4.200 . 0 0 "[ . 1 . 2]" 1
633 1 38 GLN HG3 1 39 LEU H 4.410 . 4.410 4.187 3.478 4.565 0.155 12 0 "[ . 1 . 2]" 1
634 1 39 LEU H 1 39 LEU HB2 3.150 . 3.150 2.279 2.209 2.379 . 0 0 "[ . 1 . 2]" 1
635 1 39 LEU H 1 39 LEU HB3 3.270 . 3.270 3.454 3.420 3.506 0.236 7 0 "[ . 1 . 2]" 1
636 1 39 LEU H 1 39 LEU MD1 3.370 . 3.370 2.399 2.239 2.661 . 0 0 "[ . 1 . 2]" 1
637 1 39 LEU H 1 39 LEU HG 4.720 . 4.720 3.864 3.705 4.054 . 0 0 "[ . 1 . 2]" 1
638 1 39 LEU HA 1 39 LEU MD1 3.370 . 3.370 2.683 2.538 2.824 . 0 0 "[ . 1 . 2]" 1
639 1 39 LEU HA 1 39 LEU MD2 3.900 . 3.900 3.659 3.630 3.690 . 0 0 "[ . 1 . 2]" 1
640 1 39 LEU HA 1 39 LEU HG 3.430 . 3.430 2.309 2.237 2.368 . 0 0 "[ . 1 . 2]" 1
641 1 39 LEU HA 1 40 LEU H 2.900 . 2.900 1.989 1.763 2.109 0.037 11 0 "[ . 1 . 2]" 1
642 1 39 LEU HA 1 40 LEU HB3 4.730 . 4.730 4.826 4.766 4.969 0.239 11 0 "[ . 1 . 2]" 1
643 1 39 LEU HB2 1 39 LEU MD2 3.190 . 3.190 2.445 2.408 2.468 . 0 0 "[ . 1 . 2]" 1
644 1 39 LEU HB2 1 44 VAL MG1 3.580 . 3.580 3.695 3.669 3.729 0.149 7 0 "[ . 1 . 2]" 1
645 1 39 LEU HB2 1 44 VAL MG2 4.210 . 4.210 2.114 2.030 2.339 . 0 0 "[ . 1 . 2]" 1
646 1 39 LEU HB3 1 39 LEU MD2 3.340 . 3.340 2.257 2.238 2.271 . 0 0 "[ . 1 . 2]" 1
647 1 39 LEU HB3 1 40 LEU H 4.450 . 4.450 2.894 2.753 3.049 . 0 0 "[ . 1 . 2]" 1
648 1 39 LEU MD1 1 40 LEU H 4.640 . 4.640 4.289 3.920 4.502 . 0 0 "[ . 1 . 2]" 1
649 1 39 LEU MD1 1 63 ALA H 4.720 . 4.720 3.079 3.002 3.152 . 0 0 "[ . 1 . 2]" 1
650 1 39 LEU MD1 1 63 ALA HA 4.290 . 4.290 4.314 4.233 4.348 0.058 4 0 "[ . 1 . 2]" 1
651 1 39 LEU MD1 1 63 ALA MB 3.390 . 3.390 1.885 1.850 1.916 . 0 0 "[ . 1 . 2]" 1
652 1 39 LEU MD1 1 64 VAL H 4.290 . 4.290 3.616 3.321 4.033 . 0 0 "[ . 1 . 2]" 1
653 1 39 LEU MD1 1 64 VAL HA 4.370 . 4.370 3.554 3.184 3.860 . 0 0 "[ . 1 . 2]" 1
654 1 39 LEU MD1 1 65 CYS H 4.190 . 4.190 2.624 2.268 2.875 . 0 0 "[ . 1 . 2]" 1
655 1 39 LEU MD1 1 65 CYS HA 3.710 . 3.710 2.538 2.164 3.202 . 0 0 "[ . 1 . 2]" 1
656 1 39 LEU MD1 1 65 CYS HB2 4.700 . 4.700 3.208 3.008 3.639 . 0 0 "[ . 1 . 2]" 1
657 1 39 LEU MD1 1 65 CYS HB3 3.390 . 3.390 2.420 2.099 2.653 . 0 0 "[ . 1 . 2]" 1
658 1 39 LEU MD1 1 66 ASP H 5.160 . 5.160 4.418 4.042 4.999 . 0 0 "[ . 1 . 2]" 1
659 1 39 LEU MD2 1 40 LEU H 4.530 . 4.530 4.159 3.860 4.395 . 0 0 "[ . 1 . 2]" 1
660 1 39 LEU MD2 1 43 GLU HB2 4.020 . 4.020 2.391 2.095 2.614 . 0 0 "[ . 1 . 2]" 1
661 1 39 LEU MD2 1 43 GLU HB3 3.770 . 3.770 2.412 2.110 2.733 . 0 0 "[ . 1 . 2]" 1
662 1 39 LEU MD2 1 43 GLU HG2 5.200 . 5.200 4.357 3.997 4.669 . 0 0 "[ . 1 . 2]" 1
663 1 39 LEU MD2 1 44 VAL H 4.330 . 4.330 3.261 3.097 3.520 . 0 0 "[ . 1 . 2]" 1
664 1 39 LEU MD2 1 44 VAL HA 3.500 . 3.500 2.563 2.381 2.761 . 0 0 "[ . 1 . 2]" 1
665 1 39 LEU MD2 1 44 VAL MG2 3.490 . 3.490 2.644 2.469 2.816 . 0 0 "[ . 1 . 2]" 1
666 1 39 LEU MD2 1 47 PHE HB2 4.630 . 4.630 3.721 3.556 3.934 . 0 0 "[ . 1 . 2]" 1
667 1 39 LEU MD2 1 47 PHE QD 4.170 . 4.170 3.356 3.115 3.613 . 0 0 "[ . 1 . 2]" 1
668 1 39 LEU MD2 1 63 ALA HA 4.870 . 4.870 4.075 3.983 4.141 . 0 0 "[ . 1 . 2]" 1
669 1 39 LEU MD2 1 63 ALA MB 3.360 . 3.360 1.915 1.837 1.973 . 0 0 "[ . 1 . 2]" 1
670 1 39 LEU MD2 1 64 VAL H 3.880 . 3.880 2.905 2.522 3.327 . 0 0 "[ . 1 . 2]" 1
671 1 39 LEU MD2 1 64 VAL HA 4.740 . 4.740 4.110 3.822 4.319 . 0 0 "[ . 1 . 2]" 1
672 1 39 LEU MD2 1 65 CYS HA 3.870 . 3.870 2.310 2.113 2.606 . 0 0 "[ . 1 . 2]" 1
673 1 39 LEU MD2 1 65 CYS HB2 4.630 . 4.630 4.091 3.687 4.524 . 0 0 "[ . 1 . 2]" 1
674 1 39 LEU MD2 1 66 ASP H 5.340 . 5.340 4.115 3.701 4.580 . 0 0 "[ . 1 . 2]" 1
675 1 39 LEU HG 1 40 LEU H 4.220 . 4.220 3.369 2.858 3.685 . 0 0 "[ . 1 . 2]" 1
676 1 39 LEU HG 1 43 GLU HB2 4.140 . 4.140 3.044 2.705 3.253 . 0 0 "[ . 1 . 2]" 1
677 1 39 LEU HG 1 65 CYS HA 3.710 . 3.710 2.196 1.936 2.561 . 0 0 "[ . 1 . 2]" 1
678 1 39 LEU HG 1 65 CYS HB3 4.210 . 4.210 3.260 2.367 3.888 . 0 0 "[ . 1 . 2]" 1
679 1 39 LEU HG 1 66 ASP H 4.820 . 4.820 3.673 3.243 4.416 . 0 0 "[ . 1 . 2]" 1
680 1 40 LEU H 1 40 LEU HB2 3.540 . 3.540 1.852 1.793 1.890 0.007 5 0 "[ . 1 . 2]" 1
681 1 40 LEU H 1 40 LEU HB3 3.670 . 3.670 2.879 2.733 3.229 . 0 0 "[ . 1 . 2]" 1
682 1 40 LEU H 1 40 LEU MD1 3.680 . 3.680 3.727 3.384 3.785 0.105 14 0 "[ . 1 . 2]" 1
683 1 40 LEU H 1 40 LEU HG 3.690 . 3.690 3.654 2.695 3.799 0.109 1 0 "[ . 1 . 2]" 1
684 1 40 LEU H 1 43 GLU H 4.330 . 4.330 4.112 3.804 4.387 0.057 20 0 "[ . 1 . 2]" 1
685 1 40 LEU H 1 43 GLU HB2 4.090 . 4.090 3.028 2.911 3.157 . 0 0 "[ . 1 . 2]" 1
686 1 40 LEU H 1 43 GLU HB3 4.280 . 4.280 4.336 4.136 4.391 0.111 9 0 "[ . 1 . 2]" 1
687 1 40 LEU H 1 43 GLU HG2 4.970 . 4.970 3.209 2.494 4.576 . 0 0 "[ . 1 . 2]" 1
688 1 40 LEU H 1 43 GLU HG3 4.670 . 4.670 3.578 2.761 4.674 0.004 5 0 "[ . 1 . 2]" 1
689 1 40 LEU H 1 44 VAL MG2 5.210 . 5.210 3.895 3.737 4.012 . 0 0 "[ . 1 . 2]" 1
690 1 40 LEU HA 1 40 LEU MD2 2.860 . 2.860 2.345 2.075 2.545 . 0 0 "[ . 1 . 2]" 1
691 1 40 LEU HA 1 40 LEU HG 3.720 . 3.720 2.480 2.350 2.778 . 0 0 "[ . 1 . 2]" 1
692 1 40 LEU HA 1 41 ARG H 3.580 . 3.580 2.285 2.210 2.363 . 0 0 "[ . 1 . 2]" 1
693 1 40 LEU HB2 1 40 LEU MD2 3.180 . 3.180 3.185 3.125 3.202 0.022 13 0 "[ . 1 . 2]" 1
694 1 40 LEU HB2 1 43 GLU H 3.690 . 3.690 3.704 2.861 3.823 0.133 17 0 "[ . 1 . 2]" 1
695 1 40 LEU HB3 1 40 LEU MD1 3.300 . 3.300 2.387 2.324 2.492 . 0 0 "[ . 1 . 2]" 1
696 1 40 LEU HB3 1 41 ARG H 4.600 . 4.600 3.610 3.424 3.815 . 0 0 "[ . 1 . 2]" 1
697 1 40 LEU HB3 1 42 ARG H 4.640 . 4.640 2.942 2.554 3.256 . 0 0 "[ . 1 . 2]" 1
698 1 40 LEU HB3 1 43 GLU H 4.100 . 4.100 2.434 2.159 2.790 . 0 0 "[ . 1 . 2]" 1
699 1 40 LEU HB3 1 43 GLU HG3 4.430 . 4.430 3.566 2.010 4.456 0.026 5 0 "[ . 1 . 2]" 1
700 1 40 LEU MD1 1 43 GLU HG3 4.810 . 4.810 3.818 2.748 4.610 . 0 0 "[ . 1 . 2]" 1
701 1 40 LEU MD2 1 41 ARG H 4.310 . 4.310 2.400 2.199 3.305 . 0 0 "[ . 1 . 2]" 1
702 1 40 LEU MD2 1 42 ARG H 4.290 . 4.290 2.580 2.046 3.803 . 0 0 "[ . 1 . 2]" 1
703 1 40 LEU MD2 1 42 ARG QD 3.930 . 3.930 3.630 2.441 4.019 0.089 13 0 "[ . 1 . 2]" 1
704 1 40 LEU MD2 1 42 ARG QG 4.640 . 4.640 2.992 1.963 4.694 0.054 11 0 "[ . 1 . 2]" 1
705 1 40 LEU MD2 1 43 GLU H 4.330 . 4.330 3.761 3.237 4.395 0.065 11 0 "[ . 1 . 2]" 1
706 1 40 LEU MD2 1 43 GLU HG2 5.020 . 5.020 4.143 3.664 5.048 0.028 10 0 "[ . 1 . 2]" 1
707 1 41 ARG H 1 41 ARG HB2 4.120 . 4.120 2.652 2.265 3.699 . 0 0 "[ . 1 . 2]" 1
708 1 41 ARG H 1 41 ARG HB3 4.080 . 4.080 2.609 2.343 2.717 . 0 0 "[ . 1 . 2]" 1
709 1 41 ARG H 1 41 ARG QG 4.000 . 4.000 3.839 2.738 4.043 0.043 6 0 "[ . 1 . 2]" 1
710 1 41 ARG H 1 42 ARG H 4.730 . 4.730 2.922 2.736 3.049 . 0 0 "[ . 1 . 2]" 1
711 1 41 ARG HA 1 41 ARG QG 3.950 . 3.950 2.652 2.341 3.447 . 0 0 "[ . 1 . 2]" 1
712 1 41 ARG HA 1 44 VAL H 3.680 . 3.680 3.168 2.898 3.351 . 0 0 "[ . 1 . 2]" 1
713 1 41 ARG HA 1 44 VAL HB 3.700 . 3.700 2.647 2.299 2.846 . 0 0 "[ . 1 . 2]" 1
714 1 41 ARG HA 1 44 VAL MG1 4.440 . 4.440 3.821 3.606 4.014 . 0 0 "[ . 1 . 2]" 1
715 1 41 ARG HA 1 44 VAL MG2 3.590 . 3.590 1.996 1.873 2.125 . 0 0 "[ . 1 . 2]" 1
716 1 41 ARG HB3 1 42 ARG H 4.080 . 4.080 3.146 2.542 4.129 0.049 20 0 "[ . 1 . 2]" 1
717 1 41 ARG QG 1 45 TYR QB 4.510 . 4.510 4.601 4.512 4.686 0.176 9 0 "[ . 1 . 2]" 1
718 1 41 ARG QG 1 45 TYR QE 4.390 . 4.390 2.307 2.001 2.863 . 0 0 "[ . 1 . 2]" 1
719 1 42 ARG H 1 42 ARG HB2 3.120 . 3.120 2.361 2.087 2.880 . 0 0 "[ . 1 . 2]" 1
720 1 42 ARG H 1 42 ARG HB3 3.370 . 3.370 3.159 2.065 3.498 0.128 6 0 "[ . 1 . 2]" 1
721 1 42 ARG H 1 42 ARG QD 4.220 . 4.220 3.747 3.096 4.291 0.071 9 0 "[ . 1 . 2]" 1
722 1 42 ARG H 1 42 ARG QG 3.640 . 3.640 2.635 1.872 3.768 0.128 15 0 "[ . 1 . 2]" 1
723 1 42 ARG H 1 43 GLU H 3.230 . 3.230 2.658 2.290 2.866 . 0 0 "[ . 1 . 2]" 1
724 1 42 ARG H 1 43 GLU HG2 4.750 . 4.750 4.527 4.017 4.881 0.131 5 0 "[ . 1 . 2]" 1
725 1 42 ARG H 1 44 VAL H 4.640 . 4.640 3.843 3.589 4.011 . 0 0 "[ . 1 . 2]" 1
726 1 42 ARG H 1 45 TYR H 5.040 . 5.040 4.650 4.451 4.795 . 0 0 "[ . 1 . 2]" 1
727 1 42 ARG HA 1 42 ARG HB3 2.900 . 2.900 2.604 2.309 2.974 0.074 9 0 "[ . 1 . 2]" 1
728 1 42 ARG HA 1 42 ARG QD 4.060 . 4.060 3.178 2.039 4.143 0.083 5 0 "[ . 1 . 2]" 1
729 1 42 ARG HA 1 42 ARG QG 3.730 . 3.730 2.673 2.287 3.161 . 0 0 "[ . 1 . 2]" 1
730 1 42 ARG HA 1 45 TYR H 3.750 . 3.750 3.542 3.214 3.755 0.005 3 0 "[ . 1 . 2]" 1
731 1 42 ARG HA 1 45 TYR QB 3.710 . 3.710 2.999 2.485 3.297 . 0 0 "[ . 1 . 2]" 1
732 1 42 ARG HA 1 45 TYR QD 3.000 . 3.000 2.228 1.929 2.816 . 0 0 "[ . 1 . 2]" 1
733 1 42 ARG HA 1 45 TYR QE 4.110 . 4.110 3.902 3.641 4.158 0.048 13 0 "[ . 1 . 2]" 1
734 1 42 ARG HB2 1 42 ARG QD 3.470 . 3.470 2.866 2.284 3.507 0.037 8 0 "[ . 1 . 2]" 1
735 1 42 ARG HB2 1 43 GLU H 4.400 . 4.400 2.745 2.166 3.997 . 0 0 "[ . 1 . 2]" 1
736 1 42 ARG HB3 1 42 ARG QD 3.280 . 3.280 2.731 2.298 3.299 0.019 13 0 "[ . 1 . 2]" 1
737 1 42 ARG QG 1 43 GLU H 3.910 . 3.910 3.725 2.510 3.989 0.079 18 0 "[ . 1 . 2]" 1
738 1 43 GLU H 1 43 GLU HB2 3.670 . 3.670 2.509 2.239 2.717 . 0 0 "[ . 1 . 2]" 1
739 1 43 GLU H 1 43 GLU HB3 4.000 . 4.000 3.561 3.431 3.643 . 0 0 "[ . 1 . 2]" 1
740 1 43 GLU H 1 43 GLU HG2 4.200 . 4.200 2.460 2.048 3.192 . 0 0 "[ . 1 . 2]" 1
741 1 43 GLU H 1 43 GLU HG3 3.880 . 3.880 3.507 1.846 3.822 . 0 0 "[ . 1 . 2]" 1
742 1 43 GLU H 1 44 VAL H 3.000 . 3.000 2.481 2.363 2.564 . 0 0 "[ . 1 . 2]" 1
743 1 43 GLU H 1 44 VAL MG2 4.700 . 4.700 3.655 3.525 3.764 . 0 0 "[ . 1 . 2]" 1
744 1 43 GLU HA 1 43 GLU HG2 3.820 . 3.820 3.454 2.683 3.824 0.004 20 0 "[ . 1 . 2]" 1
745 1 43 GLU HA 1 43 GLU HG3 4.070 . 4.070 3.620 3.009 3.986 . 0 0 "[ . 1 . 2]" 1
746 1 43 GLU HA 1 46 ASP H 3.570 . 3.570 3.200 3.004 3.359 . 0 0 "[ . 1 . 2]" 1
747 1 43 GLU HA 1 46 ASP HB2 3.820 . 3.820 2.735 2.316 2.865 . 0 0 "[ . 1 . 2]" 1
748 1 43 GLU HA 1 46 ASP HB3 4.030 . 4.030 4.088 3.763 4.176 0.146 9 0 "[ . 1 . 2]" 1
749 1 43 GLU HA 1 47 PHE H 5.370 . 5.370 4.542 4.174 4.846 . 0 0 "[ . 1 . 2]" 1
750 1 43 GLU HB2 1 44 VAL H 4.110 . 4.110 2.653 2.437 2.845 . 0 0 "[ . 1 . 2]" 1
751 1 43 GLU HG2 1 66 ASP H 5.000 . 5.000 4.362 3.285 5.035 0.035 3 0 "[ . 1 . 2]" 1
752 1 43 GLU HG2 1 66 ASP HB2 4.220 . 4.220 3.760 2.516 4.352 0.132 18 0 "[ . 1 . 2]" 1
753 1 43 GLU HG3 1 44 VAL H 4.980 . 4.980 4.868 3.692 5.069 0.089 17 0 "[ . 1 . 2]" 1
754 1 43 GLU HG3 1 66 ASP H 4.830 . 4.830 3.152 2.521 4.776 . 0 0 "[ . 1 . 2]" 1
755 1 43 GLU HG3 1 66 ASP HB2 4.660 . 4.660 2.781 2.174 4.280 . 0 0 "[ . 1 . 2]" 1
756 1 44 VAL H 1 44 VAL HB 3.360 . 3.360 2.851 2.769 2.974 . 0 0 "[ . 1 . 2]" 1
757 1 44 VAL H 1 44 VAL MG2 2.980 . 2.980 1.919 1.881 1.992 . 0 0 "[ . 1 . 2]" 1
758 1 44 VAL HA 1 44 VAL MG1 2.860 . 2.860 2.290 2.258 2.319 . 0 0 "[ . 1 . 2]" 1
759 1 44 VAL HA 1 44 VAL MG2 3.460 . 3.460 2.570 2.527 2.628 . 0 0 "[ . 1 . 2]" 1
760 1 44 VAL HA 1 46 ASP H 4.420 . 4.420 4.282 4.125 4.430 0.010 13 0 "[ . 1 . 2]" 1
761 1 44 VAL HA 1 47 PHE H 3.980 . 3.980 3.582 3.433 3.766 . 0 0 "[ . 1 . 2]" 1
762 1 44 VAL HA 1 63 ALA MB 4.840 . 4.840 3.641 3.470 3.779 . 0 0 "[ . 1 . 2]" 1
763 1 44 VAL HB 1 45 TYR H 2.920 . 2.920 2.639 2.462 2.722 . 0 0 "[ . 1 . 2]" 1
764 1 44 VAL HB 1 45 TYR QD 4.600 . 4.600 4.386 3.482 4.589 . 0 0 "[ . 1 . 2]" 1
765 1 44 VAL MG1 1 45 TYR H 3.870 . 3.870 3.781 3.631 3.866 . 0 0 "[ . 1 . 2]" 1
766 1 44 VAL MG1 1 45 TYR QD 4.890 . 4.890 4.638 3.904 4.929 0.039 7 0 "[ . 1 . 2]" 1
767 1 44 VAL MG2 1 45 TYR H 3.710 . 3.710 3.618 3.524 3.703 . 0 0 "[ . 1 . 2]" 1
768 1 44 VAL MG2 1 46 ASP H 5.500 . 5.500 5.222 5.162 5.257 . 0 0 "[ . 1 . 2]" 1
769 1 45 TYR H 1 45 TYR QB 3.120 . 3.120 2.411 2.326 2.498 . 0 0 "[ . 1 . 2]" 1
770 1 45 TYR H 1 45 TYR QD 3.700 . 3.700 3.142 2.968 3.256 . 0 0 "[ . 1 . 2]" 1
771 1 45 TYR H 1 45 TYR QE 4.460 . 4.460 4.547 4.492 4.571 0.111 20 0 "[ . 1 . 2]" 1
772 1 45 TYR H 1 46 ASP H 3.390 . 3.390 2.786 2.690 2.881 . 0 0 "[ . 1 . 2]" 1
773 1 45 TYR H 1 47 PHE H 4.400 . 4.400 4.250 4.069 4.364 . 0 0 "[ . 1 . 2]" 1
774 1 45 TYR HA 1 45 TYR QD 2.590 . 2.590 2.069 1.838 2.357 . 0 0 "[ . 1 . 2]" 1
775 1 45 TYR HA 1 48 ALA H 4.500 . 4.500 3.473 3.193 3.658 . 0 0 "[ . 1 . 2]" 1
776 1 45 TYR HA 1 48 ALA MB 3.810 . 3.810 3.528 3.181 3.820 0.010 12 0 "[ . 1 . 2]" 1
777 1 45 TYR QB 1 46 ASP H 3.220 . 3.220 2.706 2.530 2.801 . 0 0 "[ . 1 . 2]" 1
778 1 45 TYR QB 1 49 ARG HB2 3.630 . 3.630 3.608 3.508 3.752 0.122 3 0 "[ . 1 . 2]" 1
779 1 45 TYR QB 1 49 ARG HB3 4.650 . 4.650 4.748 4.698 4.806 0.156 7 0 "[ . 1 . 2]" 1
780 1 45 TYR QB 1 49 ARG QD 2.800 . 2.800 2.423 1.837 2.975 0.175 10 0 "[ . 1 . 2]" 1
781 1 45 TYR QB 1 49 ARG HG2 3.860 . 3.860 3.195 2.864 3.803 . 0 0 "[ . 1 . 2]" 1
782 1 45 TYR QD 1 46 ASP H 4.450 . 4.450 4.466 4.307 4.513 0.063 20 0 "[ . 1 . 2]" 1
783 1 45 TYR QD 1 48 ALA MB 4.470 . 4.470 4.094 3.591 4.469 . 0 0 "[ . 1 . 2]" 1
784 1 46 ASP H 1 46 ASP HB2 3.030 . 3.030 2.434 2.341 2.532 . 0 0 "[ . 1 . 2]" 1
785 1 46 ASP H 1 46 ASP HB3 3.370 . 3.370 3.509 3.482 3.531 0.161 20 0 "[ . 1 . 2]" 1
786 1 46 ASP H 1 47 PHE H 3.370 . 3.370 2.628 2.567 2.683 . 0 0 "[ . 1 . 2]" 1
787 1 46 ASP HA 1 49 ARG H 3.280 . 3.280 3.375 3.298 3.442 0.162 4 0 "[ . 1 . 2]" 1
788 1 46 ASP HA 1 49 ARG HB2 2.860 . 2.860 2.370 2.084 2.655 . 0 0 "[ . 1 . 2]" 1
789 1 46 ASP HA 1 50 ARG H 4.410 . 4.410 3.950 3.580 4.400 . 0 0 "[ . 1 . 2]" 1
790 1 46 ASP HB2 1 47 PHE H 3.920 . 3.920 2.520 2.378 2.700 . 0 0 "[ . 1 . 2]" 1
791 1 46 ASP HB2 1 47 PHE QD 4.220 . 4.220 4.448 4.406 4.552 0.332 13 0 "[ . 1 . 2]" 1
792 1 46 ASP HB3 1 47 PHE H 3.980 . 3.980 3.388 3.264 3.561 . 0 0 "[ . 1 . 2]" 1
793 1 47 PHE H 1 47 PHE HB2 2.950 . 2.950 2.013 1.941 2.071 . 0 0 "[ . 1 . 2]" 1
794 1 47 PHE H 1 47 PHE HB3 3.220 . 3.220 2.853 2.797 2.933 . 0 0 "[ . 1 . 2]" 1
795 1 47 PHE H 1 47 PHE QD 3.690 . 3.690 3.667 3.557 3.716 0.026 7 0 "[ . 1 . 2]" 1
796 1 47 PHE H 1 48 ALA H 3.300 . 3.300 2.839 2.677 2.993 . 0 0 "[ . 1 . 2]" 1
797 1 47 PHE H 1 48 ALA MB 5.040 . 5.040 4.673 4.555 4.782 . 0 0 "[ . 1 . 2]" 1
798 1 47 PHE H 1 49 ARG H 4.030 . 4.030 3.819 3.622 3.967 . 0 0 "[ . 1 . 2]" 1
799 1 47 PHE H 1 52 LEU MD2 4.950 . 4.950 4.808 3.997 5.010 0.060 15 0 "[ . 1 . 2]" 1
800 1 47 PHE HA 1 47 PHE QD 3.240 . 3.240 2.803 2.575 2.891 . 0 0 "[ . 1 . 2]" 1
801 1 47 PHE HA 1 50 ARG H 4.200 . 4.200 4.058 3.831 4.178 . 0 0 "[ . 1 . 2]" 1
802 1 47 PHE HA 1 52 LEU MD1 3.500 . 3.500 2.175 1.805 3.439 . 0 0 "[ . 1 . 2]" 1
803 1 47 PHE HA 1 52 LEU MD2 3.460 . 3.460 2.877 2.355 3.122 . 0 0 "[ . 1 . 2]" 1
804 1 47 PHE HB2 1 48 ALA H 3.700 . 3.700 3.386 3.248 3.561 . 0 0 "[ . 1 . 2]" 1
805 1 47 PHE HB3 1 48 ALA H 3.260 . 3.260 2.399 2.258 2.630 . 0 0 "[ . 1 . 2]" 1
806 1 47 PHE QD 1 52 LEU HB3 4.390 . 4.390 4.175 3.842 4.408 0.018 10 0 "[ . 1 . 2]" 1
807 1 47 PHE QD 1 52 LEU MD2 3.490 . 3.490 2.746 2.207 3.096 . 0 0 "[ . 1 . 2]" 1
808 1 47 PHE QD 1 54 ILE HA 5.010 . 5.010 4.954 4.816 5.060 0.050 13 0 "[ . 1 . 2]" 1
809 1 47 PHE QD 1 54 ILE MD 4.340 . 4.340 3.652 3.530 3.820 . 0 0 "[ . 1 . 2]" 1
810 1 47 PHE QD 1 63 ALA HA 4.210 . 4.210 4.228 4.112 4.323 0.113 11 0 "[ . 1 . 2]" 1
811 1 47 PHE QD 1 63 ALA MB 3.730 . 3.730 3.169 2.929 3.329 . 0 0 "[ . 1 . 2]" 1
812 1 47 PHE QD 1 64 VAL H 3.430 . 3.430 2.868 2.672 3.079 . 0 0 "[ . 1 . 2]" 1
813 1 47 PHE QD 1 64 VAL MG1 4.210 . 4.210 4.382 4.326 4.427 0.217 7 0 "[ . 1 . 2]" 1
814 1 47 PHE QE 1 52 LEU HB3 4.370 . 4.370 3.449 3.092 3.680 . 0 0 "[ . 1 . 2]" 1
815 1 47 PHE QE 1 52 LEU MD2 3.410 . 3.410 2.981 2.582 3.359 . 0 0 "[ . 1 . 2]" 1
816 1 47 PHE QE 1 53 CYS HA 4.580 . 4.580 3.320 3.012 3.599 . 0 0 "[ . 1 . 2]" 1
817 1 47 PHE QE 1 54 ILE HA 3.810 . 3.810 2.883 2.677 3.026 . 0 0 "[ . 1 . 2]" 1
818 1 47 PHE QE 1 54 ILE MD 3.630 . 3.630 3.149 2.971 3.244 . 0 0 "[ . 1 . 2]" 1
819 1 47 PHE QE 1 54 ILE HG12 4.750 . 4.750 2.377 2.094 2.597 . 0 0 "[ . 1 . 2]" 1
820 1 47 PHE QE 1 54 ILE MG 4.700 . 4.700 4.162 4.058 4.291 . 0 0 "[ . 1 . 2]" 1
821 1 47 PHE QE 1 55 VAL QG 4.100 . 4.100 3.468 3.333 3.764 . 0 0 "[ . 1 . 2]" 1
822 1 47 PHE QE 1 63 ALA MB 3.800 . 3.800 3.264 3.022 3.426 . 0 0 "[ . 1 . 2]" 1
823 1 47 PHE QE 1 64 VAL H 3.420 . 3.420 1.849 1.781 1.965 0.019 12 0 "[ . 1 . 2]" 1
824 1 47 PHE QE 1 64 VAL HB 3.360 . 3.360 1.861 1.791 1.922 0.009 12 0 "[ . 1 . 2]" 1
825 1 47 PHE QE 1 64 VAL MG2 3.560 . 3.560 2.401 2.219 2.636 . 0 0 "[ . 1 . 2]" 1
826 1 47 PHE HZ 1 52 LEU HB2 4.510 . 4.510 4.005 3.532 4.516 0.006 17 0 "[ . 1 . 2]" 1
827 1 47 PHE HZ 1 52 LEU HB3 4.410 . 4.410 3.545 3.359 3.915 . 0 0 "[ . 1 . 2]" 1
828 1 47 PHE HZ 1 52 LEU MD2 4.550 . 4.550 4.173 3.814 4.582 0.032 7 0 "[ . 1 . 2]" 1
829 1 47 PHE HZ 1 54 ILE HA 3.530 . 3.530 2.121 2.002 2.257 . 0 0 "[ . 1 . 2]" 1
830 1 47 PHE HZ 1 54 ILE MD 4.090 . 4.090 4.214 4.187 4.247 0.157 16 0 "[ . 1 . 2]" 1
831 1 47 PHE HZ 1 54 ILE MG 4.970 . 4.970 4.140 3.994 4.361 . 0 0 "[ . 1 . 2]" 1
832 1 47 PHE HZ 1 55 VAL H 4.620 . 4.620 3.495 3.292 3.707 . 0 0 "[ . 1 . 2]" 1
833 1 47 PHE HZ 1 63 ALA HA 3.630 . 3.630 3.118 2.796 3.365 . 0 0 "[ . 1 . 2]" 1
834 1 47 PHE HZ 1 63 ALA MB 4.330 . 4.330 4.187 3.939 4.352 0.022 3 0 "[ . 1 . 2]" 1
835 1 47 PHE HZ 1 64 VAL H 4.200 . 4.200 3.713 3.432 3.909 . 0 0 "[ . 1 . 2]" 1
836 1 47 PHE HZ 1 64 VAL HB 4.400 . 4.400 3.971 3.683 4.174 . 0 0 "[ . 1 . 2]" 1
837 1 47 PHE HZ 1 64 VAL MG2 4.200 . 4.200 2.937 2.729 3.153 . 0 0 "[ . 1 . 2]" 1
838 1 48 ALA H 1 48 ALA MB 3.070 . 3.070 2.345 2.313 2.391 . 0 0 "[ . 1 . 2]" 1
839 1 48 ALA H 1 49 ARG H 3.400 . 3.400 2.340 2.059 2.434 . 0 0 "[ . 1 . 2]" 1
840 1 48 ALA H 1 49 ARG QD 4.400 . 4.400 3.951 3.580 4.697 0.297 10 0 "[ . 1 . 2]" 1
841 1 48 ALA H 1 50 ARG H 3.980 . 3.980 3.903 3.800 3.999 0.019 7 0 "[ . 1 . 2]" 1
842 1 48 ALA HA 1 50 ARG H 3.840 . 3.840 3.775 3.552 3.911 0.071 13 0 "[ . 1 . 2]" 1
843 1 48 ALA MB 1 49 ARG H 3.450 . 3.450 2.969 2.830 3.143 . 0 0 "[ . 1 . 2]" 1
844 1 48 ALA MB 1 50 ARG H 4.340 . 4.340 4.407 4.348 4.458 0.118 13 0 "[ . 1 . 2]" 1
845 1 49 ARG H 1 49 ARG HB2 3.030 . 3.030 2.094 1.914 2.155 . 0 0 "[ . 1 . 2]" 1
846 1 49 ARG H 1 49 ARG QD 4.640 . 4.640 2.764 2.414 3.482 . 0 0 "[ . 1 . 2]" 1
847 1 49 ARG H 1 49 ARG HG2 4.310 . 4.310 4.102 3.904 4.310 . 0 0 "[ . 1 . 2]" 1
848 1 49 ARG H 1 49 ARG HG3 4.350 . 4.350 4.153 2.670 4.336 . 0 0 "[ . 1 . 2]" 1
849 1 49 ARG H 1 50 ARG H 3.450 . 3.450 2.393 2.304 2.469 . 0 0 "[ . 1 . 2]" 1
850 1 49 ARG HA 1 49 ARG HB2 2.980 . 2.980 2.933 2.862 2.977 . 0 0 "[ . 1 . 2]" 1
851 1 49 ARG HA 1 49 ARG HG2 3.760 . 3.760 3.610 2.592 3.705 . 0 0 "[ . 1 . 2]" 1
852 1 49 ARG HA 1 49 ARG HG3 3.730 . 3.730 2.571 2.466 2.789 . 0 0 "[ . 1 . 2]" 1
853 1 49 ARG HB2 1 50 ARG H 3.460 . 3.460 3.259 3.043 3.526 0.066 12 0 "[ . 1 . 2]" 1
854 1 49 ARG HB3 1 50 ARG HG3 3.450 . 3.450 3.360 2.888 3.510 0.060 8 0 "[ . 1 . 2]" 1
855 1 49 ARG QD 1 49 ARG HG2 2.660 . 2.660 2.302 2.145 2.400 . 0 0 "[ . 1 . 2]" 1
856 1 50 ARG H 1 50 ARG HB2 3.210 . 3.210 2.338 2.290 2.371 . 0 0 "[ . 1 . 2]" 1
857 1 50 ARG H 1 50 ARG HD3 4.660 . 4.660 4.775 4.738 4.825 0.165 12 0 "[ . 1 . 2]" 1
858 1 50 ARG H 1 50 ARG HG2 4.220 . 4.220 3.910 3.761 4.151 . 0 0 "[ . 1 . 2]" 1
859 1 50 ARG H 1 50 ARG HG3 3.380 . 3.380 2.668 2.481 3.027 . 0 0 "[ . 1 . 2]" 1
860 1 50 ARG H 1 51 ASP HA 4.710 . 4.710 4.614 4.294 4.779 0.069 12 0 "[ . 1 . 2]" 1
861 1 50 ARG HA 1 50 ARG HB2 2.920 . 2.920 2.980 2.965 2.989 0.069 15 0 "[ . 1 . 2]" 1
862 1 50 ARG HA 1 50 ARG HG2 3.470 . 3.470 2.692 2.602 2.763 . 0 0 "[ . 1 . 2]" 1
863 1 50 ARG HA 1 50 ARG HG3 3.030 . 3.030 2.970 2.835 3.072 0.042 13 0 "[ . 1 . 2]" 1
864 1 50 ARG HA 1 51 ASP H 3.130 . 3.130 2.996 2.870 3.133 0.003 17 0 "[ . 1 . 2]" 1
865 1 50 ARG HB2 1 50 ARG HD2 3.540 . 3.540 2.369 2.188 2.951 . 0 0 "[ . 1 . 2]" 1
866 1 50 ARG HB2 1 51 ASP H 3.190 . 3.190 2.697 2.476 2.929 . 0 0 "[ . 1 . 2]" 1
867 1 50 ARG HB2 1 52 LEU H 4.540 . 4.540 3.548 2.790 3.996 . 0 0 "[ . 1 . 2]" 1
868 1 50 ARG HB2 1 52 LEU MD1 4.180 . 4.180 2.010 1.861 2.181 . 0 0 "[ . 1 . 2]" 1
869 1 50 ARG HB2 1 52 LEU MD2 4.270 . 4.270 4.099 3.770 4.262 . 0 0 "[ . 1 . 2]" 1
870 1 50 ARG HB3 1 50 ARG HD2 3.900 . 3.900 3.035 2.476 3.200 . 0 0 "[ . 1 . 2]" 1
871 1 50 ARG HB3 1 51 ASP H 3.390 . 3.390 1.865 1.764 1.940 0.036 16 0 "[ . 1 . 2]" 1
872 1 50 ARG HB3 1 52 LEU H 4.370 . 4.370 4.177 2.860 4.439 0.069 2 0 "[ . 1 . 2]" 1
873 1 50 ARG HB3 1 52 LEU MD2 4.850 . 4.850 4.686 4.329 4.862 0.012 17 0 "[ . 1 . 2]" 1
874 1 50 ARG HD2 1 51 ASP H 4.650 . 4.650 4.587 4.165 4.745 0.095 16 0 "[ . 1 . 2]" 1
875 1 50 ARG HD2 1 52 LEU MD1 4.730 . 4.730 2.461 2.059 2.797 . 0 0 "[ . 1 . 2]" 1
876 1 50 ARG HD2 1 52 LEU MD2 4.100 . 4.100 3.729 3.407 4.101 0.001 16 0 "[ . 1 . 2]" 1
877 1 50 ARG HD3 1 51 ASP H 5.500 . 5.500 4.317 3.933 5.535 0.035 13 0 "[ . 1 . 2]" 1
878 1 50 ARG HD3 1 52 LEU MD1 4.580 . 4.580 2.700 2.200 3.581 . 0 0 "[ . 1 . 2]" 1
879 1 50 ARG HD3 1 52 LEU MD2 4.120 . 4.120 4.110 3.578 4.328 0.208 13 0 "[ . 1 . 2]" 1
880 1 50 ARG HG3 1 51 ASP H 4.800 . 4.800 4.563 4.521 4.630 . 0 0 "[ . 1 . 2]" 1
881 1 51 ASP H 1 51 ASP HA 2.900 . 2.900 2.900 2.839 2.919 0.019 4 0 "[ . 1 . 2]" 1
882 1 51 ASP H 1 51 ASP HB2 3.730 . 3.730 3.299 2.559 3.788 0.058 1 0 "[ . 1 . 2]" 1
883 1 51 ASP H 1 51 ASP HB3 3.660 . 3.660 3.066 2.777 3.728 0.068 19 0 "[ . 1 . 2]" 1
884 1 51 ASP H 1 52 LEU H 3.470 . 3.470 3.107 2.256 3.482 0.012 16 0 "[ . 1 . 2]" 1
885 1 51 ASP H 1 52 LEU MD1 4.800 . 4.800 2.346 2.193 2.464 . 0 0 "[ . 1 . 2]" 1
886 1 51 ASP H 1 52 LEU MD2 4.940 . 4.940 4.995 4.957 5.030 0.090 1 0 "[ . 1 . 2]" 1
887 1 51 ASP HA 1 52 LEU H 3.380 . 3.380 2.461 2.116 3.235 . 0 0 "[ . 1 . 2]" 1
888 1 52 LEU H 1 52 LEU HB2 3.380 . 3.380 2.456 2.308 2.540 . 0 0 "[ . 1 . 2]" 1
889 1 52 LEU H 1 52 LEU HB3 3.670 . 3.670 3.617 3.500 3.672 0.002 11 0 "[ . 1 . 2]" 1
890 1 52 LEU H 1 52 LEU MD1 3.820 . 3.820 2.044 1.861 2.164 . 0 0 "[ . 1 . 2]" 1
891 1 52 LEU H 1 52 LEU MD2 4.050 . 4.050 4.046 3.730 4.177 0.127 16 0 "[ . 1 . 2]" 1
892 1 52 LEU H 1 52 LEU HG 3.490 . 3.490 3.596 3.535 3.642 0.152 5 0 "[ . 1 . 2]" 1
893 1 52 LEU HA 1 52 LEU MD1 2.960 . 2.960 3.005 2.853 3.078 0.118 16 0 "[ . 1 . 2]" 1
894 1 52 LEU HA 1 52 LEU MD2 4.210 . 4.210 3.692 3.522 3.832 . 0 0 "[ . 1 . 2]" 1
895 1 52 LEU HA 1 52 LEU HG 4.180 . 4.180 2.476 2.359 2.636 . 0 0 "[ . 1 . 2]" 1
896 1 52 LEU HA 1 53 CYS H 3.060 . 3.060 2.452 2.155 3.153 0.093 5 0 "[ . 1 . 2]" 1
897 1 52 LEU HA 1 53 CYS HB3 4.450 . 4.450 4.439 4.297 4.527 0.077 5 0 "[ . 1 . 2]" 1
898 1 52 LEU HB2 1 53 CYS H 3.750 . 3.750 3.549 3.203 3.837 0.087 12 0 "[ . 1 . 2]" 1
899 1 52 LEU HB3 1 52 LEU MD2 3.500 . 3.500 2.250 2.154 2.379 . 0 0 "[ . 1 . 2]" 1
900 1 52 LEU HB3 1 53 CYS H 4.270 . 4.270 2.457 2.011 4.059 . 0 0 "[ . 1 . 2]" 1
901 1 52 LEU MD2 1 64 VAL H 4.800 . 4.800 4.228 3.787 4.732 . 0 0 "[ . 1 . 2]" 1
902 1 52 LEU MD2 1 64 VAL HB 4.150 . 4.150 2.889 2.046 3.557 . 0 0 "[ . 1 . 2]" 1
903 1 53 CYS H 1 53 CYS HB2 4.120 . 4.120 3.714 3.606 3.972 . 0 0 "[ . 1 . 2]" 1
904 1 53 CYS H 1 53 CYS HB3 3.790 . 3.790 3.077 2.763 3.279 . 0 0 "[ . 1 . 2]" 1
905 1 53 CYS HA 1 54 ILE H 3.130 . 3.130 2.235 2.141 2.420 . 0 0 "[ . 1 . 2]" 1
906 1 53 CYS HA 1 54 ILE HG12 4.910 . 4.910 4.931 4.825 4.979 0.069 11 0 "[ . 1 . 2]" 1
907 1 53 CYS HB2 1 54 ILE H 4.160 . 4.160 2.758 2.450 3.129 . 0 0 "[ . 1 . 2]" 1
908 1 53 CYS HB2 1 55 VAL QG 4.720 . 4.720 4.506 4.180 4.764 0.044 4 0 "[ . 1 . 2]" 1
909 1 53 CYS HB3 1 54 ILE H 4.300 . 4.300 3.890 3.727 4.193 . 0 0 "[ . 1 . 2]" 1
910 1 54 ILE H 1 54 ILE HB 3.380 . 3.380 2.330 2.240 2.405 . 0 0 "[ . 1 . 2]" 1
911 1 54 ILE H 1 54 ILE MD 4.370 . 4.370 3.869 3.768 4.073 . 0 0 "[ . 1 . 2]" 1
912 1 54 ILE H 1 54 ILE HG12 4.040 . 4.040 3.649 3.572 3.783 . 0 0 "[ . 1 . 2]" 1
913 1 54 ILE H 1 54 ILE HG13 4.060 . 4.060 2.636 2.520 2.853 . 0 0 "[ . 1 . 2]" 1
914 1 54 ILE H 1 54 ILE MG 4.440 . 4.440 3.731 3.643 3.770 . 0 0 "[ . 1 . 2]" 1
915 1 54 ILE HA 1 54 ILE MD 3.260 . 3.260 3.431 3.409 3.453 0.193 4 0 "[ . 1 . 2]" 1
916 1 54 ILE HA 1 54 ILE MG 3.400 . 3.400 2.613 2.556 2.747 . 0 0 "[ . 1 . 2]" 1
917 1 54 ILE HA 1 55 VAL H 2.960 . 2.960 1.980 1.876 2.057 . 0 0 "[ . 1 . 2]" 1
918 1 54 ILE HA 1 55 VAL QG 3.130 . 3.130 2.582 2.501 2.669 . 0 0 "[ . 1 . 2]" 1
919 1 54 ILE HA 1 63 ALA HA 4.370 . 4.370 3.545 3.389 3.689 . 0 0 "[ . 1 . 2]" 1
920 1 54 ILE HA 1 64 VAL MG2 3.710 . 3.710 3.913 3.850 3.976 0.266 16 0 "[ . 1 . 2]" 1
921 1 54 ILE HB 1 56 TYR QE 4.050 . 4.050 3.080 2.784 3.460 . 0 0 "[ . 1 . 2]" 1
922 1 54 ILE MD 1 55 VAL H 4.120 . 4.120 4.047 3.806 4.173 0.053 13 0 "[ . 1 . 2]" 1
923 1 54 ILE MD 1 56 TYR QE 5.040 . 5.040 4.149 3.872 4.371 . 0 0 "[ . 1 . 2]" 1
924 1 54 ILE MD 1 63 ALA H 4.700 . 4.700 4.809 4.751 4.839 0.139 3 0 "[ . 1 . 2]" 1
925 1 54 ILE MD 1 63 ALA HA 4.110 . 4.110 3.679 3.470 3.825 . 0 0 "[ . 1 . 2]" 1
926 1 54 ILE HG13 1 54 ILE MG 3.470 . 3.470 3.194 3.185 3.203 . 0 0 "[ . 1 . 2]" 1
927 1 54 ILE MG 1 55 VAL H 3.550 . 3.550 2.175 2.049 2.312 . 0 0 "[ . 1 . 2]" 1
928 1 54 ILE MG 1 55 VAL HA 4.670 . 4.670 3.587 3.437 3.652 . 0 0 "[ . 1 . 2]" 1
929 1 54 ILE MG 1 56 TYR HA 5.020 . 5.020 3.776 3.632 3.928 . 0 0 "[ . 1 . 2]" 1
930 1 54 ILE MG 1 56 TYR QD 4.340 . 4.340 2.965 2.644 3.284 . 0 0 "[ . 1 . 2]" 1
931 1 54 ILE MG 1 56 TYR QE 3.880 . 3.880 2.484 2.230 2.682 . 0 0 "[ . 1 . 2]" 1
932 1 54 ILE MG 1 61 PRO HA 3.560 . 3.560 2.811 2.655 3.088 . 0 0 "[ . 1 . 2]" 1
933 1 54 ILE MG 1 61 PRO HB2 3.870 . 3.870 3.425 3.233 3.657 . 0 0 "[ . 1 . 2]" 1
934 1 54 ILE MG 1 61 PRO HB3 4.380 . 4.380 2.580 2.398 2.804 . 0 0 "[ . 1 . 2]" 1
935 1 54 ILE MG 1 62 TYR H 3.860 . 3.860 2.358 2.275 2.523 . 0 0 "[ . 1 . 2]" 1
936 1 55 VAL H 1 55 VAL HB 3.670 . 3.670 3.512 3.475 3.551 . 0 0 "[ . 1 . 2]" 1
937 1 55 VAL H 1 55 VAL QG 3.510 . 3.510 1.793 1.767 1.863 0.033 10 0 "[ . 1 . 2]" 1
938 1 55 VAL H 1 55 VAL MG2 3.620 . 3.620 1.806 1.782 1.877 0.018 10 0 "[ . 1 . 2]" 1
939 1 55 VAL H 1 62 TYR H 3.970 . 3.970 3.501 3.361 3.612 . 0 0 "[ . 1 . 2]" 1
940 1 55 VAL HA 1 55 VAL MG1 3.150 . 3.150 2.171 2.139 2.203 . 0 0 "[ . 1 . 2]" 1
941 1 55 VAL HA 1 55 VAL QG 3.100 . 3.100 2.134 2.106 2.163 . 0 0 "[ . 1 . 2]" 1
942 1 55 VAL HA 1 55 VAL MG2 3.370 . 3.370 3.141 3.117 3.154 . 0 0 "[ . 1 . 2]" 1
943 1 55 VAL HA 1 56 TYR H 2.860 . 2.860 2.028 1.961 2.132 . 0 0 "[ . 1 . 2]" 1
944 1 55 VAL HA 1 56 TYR QD 3.850 . 3.850 3.232 3.116 3.321 . 0 0 "[ . 1 . 2]" 1
945 1 55 VAL HB 1 56 TYR H 3.990 . 3.990 3.605 3.463 3.729 . 0 0 "[ . 1 . 2]" 1
946 1 55 VAL QG 1 56 TYR H 3.580 . 3.580 3.487 3.410 3.580 . 0 0 "[ . 1 . 2]" 1
947 1 55 VAL QG 1 56 TYR QD 4.340 . 4.340 4.390 4.343 4.435 0.095 4 0 "[ . 1 . 2]" 1
948 1 55 VAL QG 1 62 TYR H 4.770 . 4.770 3.590 3.475 3.874 . 0 0 "[ . 1 . 2]" 1
949 1 55 VAL QG 1 62 TYR HB2 3.740 . 3.740 3.008 2.940 3.070 . 0 0 "[ . 1 . 2]" 1
950 1 55 VAL QG 1 62 TYR HB3 3.940 . 3.940 4.093 4.027 4.127 0.187 18 0 "[ . 1 . 2]" 1
951 1 55 VAL QG 1 62 TYR QD 4.620 . 4.620 4.080 3.952 4.284 . 0 0 "[ . 1 . 2]" 1
952 1 55 VAL QG 1 63 ALA MB 4.620 . 4.620 4.041 3.806 4.225 . 0 0 "[ . 1 . 2]" 1
953 1 55 VAL QG 1 64 VAL HB 3.880 . 3.880 3.783 3.728 3.878 . 0 0 "[ . 1 . 2]" 1
954 1 55 VAL QG 1 64 VAL MG1 3.870 . 3.870 3.691 3.627 3.798 . 0 0 "[ . 1 . 2]" 1
955 1 55 VAL QG 1 64 VAL MG2 3.060 . 3.060 1.767 1.743 1.816 0.057 3 0 "[ . 1 . 2]" 1
956 1 55 VAL MG1 1 56 TYR H 3.880 . 3.880 3.721 3.609 3.876 . 0 0 "[ . 1 . 2]" 1
957 1 55 VAL MG2 1 62 TYR H 5.470 . 5.470 3.630 3.508 3.933 . 0 0 "[ . 1 . 2]" 1
958 1 55 VAL MG2 1 62 TYR HB2 4.610 . 4.610 3.020 2.950 3.084 . 0 0 "[ . 1 . 2]" 1
959 1 55 VAL MG2 1 64 VAL HB 3.800 . 3.800 3.905 3.878 3.967 0.167 16 0 "[ . 1 . 2]" 1
960 1 55 VAL MG2 1 64 VAL MG2 4.020 . 4.020 1.788 1.765 1.831 0.035 10 0 "[ . 1 . 2]" 1
961 1 56 TYR H 1 56 TYR HB2 3.480 . 3.480 2.347 2.297 2.433 . 0 0 "[ . 1 . 2]" 1
962 1 56 TYR H 1 56 TYR HB3 3.660 . 3.660 3.543 3.513 3.569 . 0 0 "[ . 1 . 2]" 1
963 1 56 TYR H 1 56 TYR QD 3.270 . 3.270 2.161 2.043 2.246 . 0 0 "[ . 1 . 2]" 1
964 1 56 TYR H 1 56 TYR QE 4.410 . 4.410 4.335 4.206 4.461 0.051 11 0 "[ . 1 . 2]" 1
965 1 56 TYR H 1 57 ARG H 4.490 . 4.490 4.171 4.117 4.278 . 0 0 "[ . 1 . 2]" 1
966 1 56 TYR H 1 61 PRO HA 4.720 . 4.720 4.865 4.799 4.913 0.193 14 0 "[ . 1 . 2]" 1
967 1 56 TYR HA 1 56 TYR QD 3.520 . 3.520 3.013 2.867 3.127 . 0 0 "[ . 1 . 2]" 1
968 1 56 TYR HA 1 57 ARG H 2.900 . 2.900 1.902 1.864 1.938 . 0 0 "[ . 1 . 2]" 1
969 1 56 TYR HA 1 61 PRO HA 3.360 . 3.360 2.876 2.790 2.933 . 0 0 "[ . 1 . 2]" 1
970 1 56 TYR HA 1 62 TYR H 3.910 . 3.910 3.086 2.928 3.179 . 0 0 "[ . 1 . 2]" 1
971 1 56 TYR HA 1 62 TYR QD 3.510 . 3.510 2.798 2.439 2.905 . 0 0 "[ . 1 . 2]" 1
972 1 56 TYR HA 1 62 TYR QE 3.900 . 3.900 3.974 3.939 4.012 0.112 11 0 "[ . 1 . 2]" 1
973 1 56 TYR HB2 1 57 ARG H 4.140 . 4.140 4.157 4.092 4.182 0.042 14 0 "[ . 1 . 2]" 1
974 1 56 TYR HB3 1 57 ARG H 3.860 . 3.860 3.353 3.214 3.454 . 0 0 "[ . 1 . 2]" 1
975 1 56 TYR HB3 1 61 PRO HA 4.240 . 4.240 4.172 4.070 4.245 0.005 13 0 "[ . 1 . 2]" 1
976 1 56 TYR QD 1 57 ARG H 4.180 . 4.180 4.244 4.193 4.294 0.114 19 0 "[ . 1 . 2]" 1
977 1 56 TYR QD 1 59 GLY H 5.100 . 5.100 4.850 4.591 5.024 . 0 0 "[ . 1 . 2]" 1
978 1 56 TYR QD 1 60 ASN H 4.220 . 4.220 3.220 3.107 3.419 . 0 0 "[ . 1 . 2]" 1
979 1 56 TYR QD 1 61 PRO HA 3.670 . 3.670 2.808 2.644 3.006 . 0 0 "[ . 1 . 2]" 1
980 1 56 TYR QD 1 61 PRO HB2 4.720 . 4.720 4.818 4.759 4.915 0.195 11 0 "[ . 1 . 2]" 1
981 1 56 TYR QD 1 61 PRO HD2 5.000 . 5.000 4.573 4.470 4.714 . 0 0 "[ . 1 . 2]" 1
982 1 56 TYR QD 1 62 TYR H 4.740 . 4.740 4.295 4.213 4.361 . 0 0 "[ . 1 . 2]" 1
983 1 56 TYR QE 1 60 ASN HA 4.050 . 4.050 4.163 4.107 4.221 0.171 10 0 "[ . 1 . 2]" 1
984 1 56 TYR QE 1 61 PRO HA 3.700 . 3.700 3.111 2.882 3.439 . 0 0 "[ . 1 . 2]" 1
985 1 56 TYR QE 1 61 PRO HB2 4.040 . 4.040 3.815 3.653 4.086 0.046 11 0 "[ . 1 . 2]" 1
986 1 56 TYR QE 1 61 PRO HB3 4.030 . 4.030 2.383 2.173 2.778 . 0 0 "[ . 1 . 2]" 1
987 1 56 TYR QE 1 61 PRO HG2 4.370 . 4.370 3.380 3.269 3.464 . 0 0 "[ . 1 . 2]" 1
988 1 56 TYR QE 1 61 PRO HG3 4.690 . 4.690 1.776 1.741 1.818 0.059 11 0 "[ . 1 . 2]" 1
989 1 57 ARG H 1 60 ASN H 3.570 . 3.570 3.021 2.894 3.188 . 0 0 "[ . 1 . 2]" 1
990 1 57 ARG H 1 61 PRO HA 4.050 . 4.050 4.212 4.176 4.233 0.183 13 0 "[ . 1 . 2]" 1
991 1 57 ARG H 1 62 TYR QD 3.260 . 3.260 1.787 1.752 1.835 0.048 7 0 "[ . 1 . 2]" 1
992 1 57 ARG H 1 62 TYR QE 3.450 . 3.450 2.379 2.303 2.469 . 0 0 "[ . 1 . 2]" 1
993 1 57 ARG HA 1 57 ARG HB2 2.990 . 2.990 2.807 2.769 2.835 . 0 0 "[ . 1 . 2]" 1
994 1 57 ARG HA 1 57 ARG QD 4.640 . 4.640 2.819 2.435 3.463 . 0 0 "[ . 1 . 2]" 1
995 1 57 ARG HA 1 57 ARG HG3 3.750 . 3.750 3.686 3.653 3.749 . 0 0 "[ . 1 . 2]" 1
996 1 57 ARG HA 1 62 TYR QE 4.620 . 4.620 4.061 3.943 4.218 . 0 0 "[ . 1 . 2]" 1
997 1 57 ARG HB2 1 62 TYR QD 3.710 . 3.710 2.233 2.117 2.801 . 0 0 "[ . 1 . 2]" 1
998 1 57 ARG HB2 1 62 TYR QE 3.440 . 3.440 2.379 2.194 2.578 . 0 0 "[ . 1 . 2]" 1
999 1 57 ARG HB3 1 57 ARG QD 3.160 . 3.160 2.573 2.320 2.970 . 0 0 "[ . 1 . 2]" 1
1000 1 57 ARG HB3 1 60 ASN HD22 4.670 . 4.670 4.726 4.676 4.764 0.094 4 0 "[ . 1 . 2]" 1
1001 1 57 ARG HB3 1 62 TYR QE 3.390 . 3.390 2.202 2.050 2.434 . 0 0 "[ . 1 . 2]" 1
1002 1 57 ARG HG2 1 62 TYR QD 5.090 . 5.090 4.508 4.368 4.955 . 0 0 "[ . 1 . 2]" 1
1003 1 57 ARG HG3 1 62 TYR QE 4.920 . 4.920 4.275 4.175 4.464 . 0 0 "[ . 1 . 2]" 1
1004 1 58 ASP HA 1 58 ASP HB2 2.920 . 2.920 2.572 2.423 3.004 0.084 6 0 "[ . 1 . 2]" 1
1005 1 58 ASP HB2 1 59 GLY H 4.550 . 4.550 3.297 1.957 3.704 . 0 0 "[ . 1 . 2]" 1
1006 1 58 ASP HB3 1 59 GLY H 4.290 . 4.290 2.221 2.015 2.729 . 0 0 "[ . 1 . 2]" 1
1007 1 58 ASP HB3 1 59 GLY HA2 4.710 . 4.710 4.721 4.637 4.758 0.048 13 0 "[ . 1 . 2]" 1
1008 1 59 GLY H 1 60 ASN H 3.520 . 3.520 1.979 1.795 2.125 0.005 18 0 "[ . 1 . 2]" 1
1009 1 59 GLY HA2 1 60 ASN HD21 4.700 . 4.700 4.773 4.746 4.808 0.108 18 0 "[ . 1 . 2]" 1
1010 1 60 ASN H 1 60 ASN HB2 3.180 . 3.180 2.728 2.662 2.771 . 0 0 "[ . 1 . 2]" 1
1011 1 60 ASN H 1 60 ASN HB3 3.750 . 3.750 3.781 3.720 3.832 0.082 15 0 "[ . 1 . 2]" 1
1012 1 60 ASN H 1 60 ASN HD21 4.590 . 4.590 2.439 2.216 2.572 . 0 0 "[ . 1 . 2]" 1
1013 1 60 ASN H 1 60 ASN HD22 5.170 . 5.170 3.695 3.460 3.829 . 0 0 "[ . 1 . 2]" 1
1014 1 60 ASN H 1 61 PRO HA 4.930 . 4.930 4.674 4.586 4.906 . 0 0 "[ . 1 . 2]" 1
1015 1 60 ASN H 1 62 TYR QD 4.600 . 4.600 4.295 4.061 4.431 . 0 0 "[ . 1 . 2]" 1
1016 1 60 ASN H 1 62 TYR QE 4.080 . 4.080 3.194 3.039 3.315 . 0 0 "[ . 1 . 2]" 1
1017 1 60 ASN HB2 1 60 ASN HD21 3.540 . 3.540 2.187 2.165 2.247 . 0 0 "[ . 1 . 2]" 1
1018 1 60 ASN HB2 1 60 ASN HD22 3.850 . 3.850 3.423 3.406 3.459 . 0 0 "[ . 1 . 2]" 1
1019 1 60 ASN HB2 1 62 TYR QD 4.090 . 4.090 3.758 3.425 3.873 . 0 0 "[ . 1 . 2]" 1
1020 1 60 ASN HB2 1 62 TYR QE 3.220 . 3.220 2.272 1.930 2.446 . 0 0 "[ . 1 . 2]" 1
1021 1 60 ASN HB3 1 62 TYR QE 3.520 . 3.520 3.586 3.549 3.618 0.098 12 0 "[ . 1 . 2]" 1
1022 1 60 ASN HD21 1 62 TYR QE 4.570 . 4.570 2.476 2.404 2.550 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ASN HD22 1 62 TYR QE 3.960 . 3.960 4.027 3.998 4.081 0.121 20 0 "[ . 1 . 2]" 1
1024 1 61 PRO HA 1 62 TYR H 2.930 . 2.930 2.018 1.979 2.078 . 0 0 "[ . 1 . 2]" 1
1025 1 61 PRO HA 1 62 TYR QD 4.000 . 4.000 4.036 3.587 4.099 0.099 12 0 "[ . 1 . 2]" 1
1026 1 61 PRO HB3 1 62 TYR H 4.010 . 4.010 3.636 3.567 3.727 . 0 0 "[ . 1 . 2]" 1
1027 1 62 TYR H 1 62 TYR HB2 4.070 . 4.070 3.174 2.788 3.294 . 0 0 "[ . 1 . 2]" 1
1028 1 62 TYR H 1 62 TYR QD 3.730 . 3.730 3.305 2.878 3.436 . 0 0 "[ . 1 . 2]" 1
1029 1 62 TYR H 1 63 ALA H 4.680 . 4.680 3.996 3.963 4.025 . 0 0 "[ . 1 . 2]" 1
1030 1 62 TYR HA 1 62 TYR QD 3.280 . 3.280 2.726 2.578 2.995 . 0 0 "[ . 1 . 2]" 1
1031 1 62 TYR HA 1 63 ALA H 2.950 . 2.950 2.044 1.962 2.221 . 0 0 "[ . 1 . 2]" 1
1032 1 62 TYR HA 1 63 ALA MB 4.440 . 4.440 3.447 3.384 3.556 . 0 0 "[ . 1 . 2]" 1
1033 1 62 TYR HB2 1 63 ALA H 3.460 . 3.460 3.216 2.905 3.453 . 0 0 "[ . 1 . 2]" 1
1034 1 62 TYR HB2 1 63 ALA MB 4.760 . 4.760 4.581 4.475 4.716 . 0 0 "[ . 1 . 2]" 1
1035 1 62 TYR HB3 1 63 ALA H 3.990 . 3.990 2.375 2.162 2.565 . 0 0 "[ . 1 . 2]" 1
1036 1 62 TYR QD 1 63 ALA H 3.870 . 3.870 3.839 3.738 3.887 0.017 15 0 "[ . 1 . 2]" 1
1037 1 63 ALA HA 1 64 VAL H 3.470 . 3.470 2.582 2.437 2.765 . 0 0 "[ . 1 . 2]" 1
1038 1 63 ALA HA 1 64 VAL MG2 3.970 . 3.970 3.511 3.413 3.702 . 0 0 "[ . 1 . 2]" 1
1039 1 63 ALA MB 1 64 VAL H 3.000 . 3.000 2.160 1.935 2.334 . 0 0 "[ . 1 . 2]" 1
1040 1 63 ALA MB 1 64 VAL HA 4.730 . 4.730 3.885 3.804 3.973 . 0 0 "[ . 1 . 2]" 1
1041 1 63 ALA MB 1 64 VAL HB 4.590 . 4.590 4.261 4.081 4.420 . 0 0 "[ . 1 . 2]" 1
1042 1 63 ALA MB 1 64 VAL MG1 5.490 . 5.490 4.770 4.679 4.854 . 0 0 "[ . 1 . 2]" 1
1043 1 64 VAL H 1 64 VAL HB 3.700 . 3.700 2.466 2.317 2.654 . 0 0 "[ . 1 . 2]" 1
1044 1 64 VAL H 1 64 VAL MG2 4.120 . 4.120 2.862 2.691 3.063 . 0 0 "[ . 1 . 2]" 1
1045 1 64 VAL H 1 65 CYS H 4.630 . 4.630 4.063 3.869 4.212 . 0 0 "[ . 1 . 2]" 1
1046 1 64 VAL HA 1 64 VAL MG1 3.440 . 3.440 2.547 2.469 2.634 . 0 0 "[ . 1 . 2]" 1
1047 1 64 VAL HA 1 64 VAL MG2 3.540 . 3.540 2.361 2.317 2.395 . 0 0 "[ . 1 . 2]" 1
1048 1 64 VAL HA 1 65 CYS H 2.930 . 2.930 2.151 2.062 2.197 . 0 0 "[ . 1 . 2]" 1
1049 1 64 VAL HA 1 65 CYS HB3 4.210 . 4.210 4.278 4.249 4.310 0.100 13 0 "[ . 1 . 2]" 1
1050 1 64 VAL HA 1 68 CYS HB3 4.490 . 4.490 3.835 2.867 4.561 0.071 8 0 "[ . 1 . 2]" 1
1051 1 64 VAL HB 1 65 CYS H 4.630 . 4.630 4.500 4.423 4.541 . 0 0 "[ . 1 . 2]" 1
1052 1 64 VAL MG1 1 65 CYS H 3.790 . 3.790 3.275 3.064 3.404 . 0 0 "[ . 1 . 2]" 1
1053 1 64 VAL MG1 1 68 CYS HB2 4.120 . 4.120 2.230 2.007 2.656 . 0 0 "[ . 1 . 2]" 1
1054 1 64 VAL MG1 1 68 CYS HB3 4.090 . 4.090 2.122 1.851 3.367 . 0 0 "[ . 1 . 2]" 1
1055 1 64 VAL MG1 1 69 LEU H 4.040 . 4.040 2.741 2.447 2.981 . 0 0 "[ . 1 . 2]" 1
1056 1 64 VAL MG1 1 69 LEU MD1 3.890 . 3.890 3.533 2.908 3.950 0.060 4 0 "[ . 1 . 2]" 1
1057 1 64 VAL MG1 1 69 LEU MD2 4.010 . 4.010 2.794 1.920 4.017 0.007 17 0 "[ . 1 . 2]" 1
1058 1 64 VAL MG1 1 69 LEU HG 3.820 . 3.820 2.533 1.907 2.985 . 0 0 "[ . 1 . 2]" 1
1059 1 64 VAL MG2 1 65 CYS H 4.120 . 4.120 4.140 3.999 4.169 0.049 12 0 "[ . 1 . 2]" 1
1060 1 64 VAL MG2 1 68 CYS HB3 4.330 . 4.330 3.696 3.013 4.417 0.087 8 0 "[ . 1 . 2]" 1
1061 1 65 CYS H 1 65 CYS HB2 3.860 . 3.860 3.538 3.473 3.635 . 0 0 "[ . 1 . 2]" 1
1062 1 65 CYS H 1 65 CYS HB3 3.330 . 3.330 2.202 2.107 2.452 . 0 0 "[ . 1 . 2]" 1
1063 1 65 CYS H 1 66 ASP H 4.710 . 4.710 4.530 4.421 4.650 . 0 0 "[ . 1 . 2]" 1
1064 1 65 CYS H 1 68 CYS HB2 4.510 . 4.510 2.814 2.258 4.361 . 0 0 "[ . 1 . 2]" 1
1065 1 65 CYS H 1 68 CYS HB3 4.120 . 4.120 4.103 3.588 4.368 0.248 8 0 "[ . 1 . 2]" 1
1066 1 65 CYS HA 1 65 CYS HB2 3.000 . 3.000 2.335 2.283 2.384 . 0 0 "[ . 1 . 2]" 1
1067 1 65 CYS HA 1 66 ASP H 3.090 . 3.090 2.481 2.394 2.579 . 0 0 "[ . 1 . 2]" 1
1068 1 65 CYS HB2 1 66 ASP H 3.300 . 3.300 2.268 2.007 2.573 . 0 0 "[ . 1 . 2]" 1
1069 1 65 CYS HB2 1 67 LYS H 4.400 . 4.400 3.492 3.140 3.837 . 0 0 "[ . 1 . 2]" 1
1070 1 65 CYS HB3 1 66 ASP H 4.310 . 4.310 3.671 3.467 3.903 . 0 0 "[ . 1 . 2]" 1
1071 1 66 ASP H 1 66 ASP HB2 3.130 . 3.130 2.504 2.384 2.599 . 0 0 "[ . 1 . 2]" 1
1072 1 66 ASP H 1 66 ASP HB3 3.030 . 3.030 2.505 2.418 2.635 . 0 0 "[ . 1 . 2]" 1
1073 1 66 ASP H 1 67 LYS H 3.370 . 3.370 2.735 2.502 3.093 . 0 0 "[ . 1 . 2]" 1
1074 1 66 ASP HA 1 69 LEU H 4.690 . 4.690 3.645 3.231 4.038 . 0 0 "[ . 1 . 2]" 1
1075 1 66 ASP HA 1 69 LEU HB2 3.370 . 3.370 2.683 2.372 3.295 . 0 0 "[ . 1 . 2]" 1
1076 1 66 ASP HA 1 69 LEU HB3 3.920 . 3.920 3.784 2.934 3.984 0.064 20 0 "[ . 1 . 2]" 1
1077 1 66 ASP HA 1 69 LEU MD1 3.420 . 3.420 2.469 1.864 3.427 0.007 18 0 "[ . 1 . 2]" 1
1078 1 66 ASP HB2 1 67 LYS H 3.700 . 3.700 3.763 3.728 3.793 0.093 5 0 "[ . 1 . 2]" 1
1079 1 66 ASP HB3 1 67 LYS H 3.320 . 3.320 2.452 2.268 2.610 . 0 0 "[ . 1 . 2]" 1
1080 1 67 LYS H 1 67 LYS HB2 2.960 . 2.960 2.468 2.368 2.566 . 0 0 "[ . 1 . 2]" 1
1081 1 67 LYS H 1 67 LYS HB3 3.550 . 3.550 3.572 3.468 3.608 0.058 10 0 "[ . 1 . 2]" 1
1082 1 67 LYS H 1 67 LYS QD 3.580 . 3.580 3.494 2.798 3.773 0.193 6 0 "[ . 1 . 2]" 1
1083 1 67 LYS H 1 67 LYS HG2 3.500 . 3.500 3.165 2.151 3.522 0.022 13 0 "[ . 1 . 2]" 1
1084 1 67 LYS H 1 67 LYS HG3 3.900 . 3.900 2.517 1.987 3.776 . 0 0 "[ . 1 . 2]" 1
1085 1 67 LYS H 1 68 CYS H 3.280 . 3.280 2.581 2.368 2.772 . 0 0 "[ . 1 . 2]" 1
1086 1 67 LYS H 1 69 LEU H 4.470 . 4.470 3.881 3.695 4.135 . 0 0 "[ . 1 . 2]" 1
1087 1 67 LYS HA 1 67 LYS QE 4.460 . 4.460 4.069 3.541 4.520 0.060 11 0 "[ . 1 . 2]" 1
1088 1 67 LYS HA 1 67 LYS HG3 3.380 . 3.380 3.146 2.824 3.614 0.234 18 0 "[ . 1 . 2]" 1
1089 1 67 LYS HB2 1 67 LYS QD 3.460 . 3.460 2.565 2.202 3.322 . 0 0 "[ . 1 . 2]" 1
1090 1 67 LYS HB2 1 67 LYS QE 4.160 . 4.160 3.205 2.050 4.288 0.128 12 0 "[ . 1 . 2]" 1
1091 1 67 LYS HB2 1 68 CYS H 3.550 . 3.550 2.409 2.088 2.812 . 0 0 "[ . 1 . 2]" 1
1092 1 67 LYS HB3 1 67 LYS QD 2.870 . 2.870 2.747 2.425 2.953 0.083 19 0 "[ . 1 . 2]" 1
1093 1 67 LYS HB3 1 68 CYS H 3.730 . 3.730 3.518 3.242 3.759 0.029 14 0 "[ . 1 . 2]" 1
1094 1 67 LYS QE 1 67 LYS HG3 3.840 . 3.840 2.979 2.287 3.515 . 0 0 "[ . 1 . 2]" 1
1095 1 68 CYS H 1 68 CYS HB2 3.890 . 3.890 2.375 2.193 3.494 . 0 0 "[ . 1 . 2]" 1
1096 1 68 CYS H 1 68 CYS HB3 3.600 . 3.600 3.521 3.105 3.603 0.003 18 0 "[ . 1 . 2]" 1
1097 1 68 CYS H 1 69 LEU H 3.900 . 3.900 2.546 2.391 2.706 . 0 0 "[ . 1 . 2]" 1
1098 1 68 CYS H 1 70 LYS H 4.970 . 4.970 4.306 3.901 4.923 . 0 0 "[ . 1 . 2]" 1
1099 1 68 CYS HA 1 71 PHE H 4.040 . 4.040 3.123 2.764 3.413 . 0 0 "[ . 1 . 2]" 1
1100 1 68 CYS HA 1 71 PHE HB3 3.930 . 3.930 3.927 3.549 4.023 0.093 9 0 "[ . 1 . 2]" 1
1101 1 68 CYS HA 1 71 PHE QD 4.360 . 4.360 2.222 1.911 3.282 . 0 0 "[ . 1 . 2]" 1
1102 1 68 CYS HA 1 71 PHE QE 4.720 . 4.720 3.442 3.227 4.079 . 0 0 "[ . 1 . 2]" 1
1103 1 68 CYS HA 1 71 PHE HZ 4.910 . 4.910 4.956 4.755 5.059 0.149 12 0 "[ . 1 . 2]" 1
1104 1 69 LEU H 1 69 LEU HB2 3.490 . 3.490 2.206 1.984 2.470 . 0 0 "[ . 1 . 2]" 1
1105 1 69 LEU H 1 69 LEU HB3 3.720 . 3.720 3.306 2.791 3.601 . 0 0 "[ . 1 . 2]" 1
1106 1 69 LEU H 1 69 LEU MD1 4.680 . 4.680 3.687 3.368 3.829 . 0 0 "[ . 1 . 2]" 1
1107 1 69 LEU H 1 69 LEU HG 3.810 . 3.810 3.043 2.339 3.954 0.144 1 0 "[ . 1 . 2]" 1
1108 1 69 LEU H 1 70 LYS H 4.030 . 4.030 2.815 2.568 3.047 . 0 0 "[ . 1 . 2]" 1
1109 1 69 LEU HA 1 69 LEU MD1 3.370 . 3.370 3.593 3.466 3.652 0.282 16 0 "[ . 1 . 2]" 1
1110 1 69 LEU HA 1 69 LEU MD2 3.360 . 3.360 2.243 1.872 2.983 . 0 0 "[ . 1 . 2]" 1
1111 1 69 LEU HB2 1 70 LYS H 3.850 . 3.850 3.016 2.438 3.701 . 0 0 "[ . 1 . 2]" 1
1112 1 69 LEU HB3 1 69 LEU MD1 3.250 . 3.250 2.316 2.131 2.595 . 0 0 "[ . 1 . 2]" 1
1113 1 69 LEU HB3 1 70 LYS H 4.080 . 4.080 3.139 2.319 3.724 . 0 0 "[ . 1 . 2]" 1
1114 1 69 LEU MD1 1 70 LYS H 5.190 . 5.190 4.601 4.361 4.863 . 0 0 "[ . 1 . 2]" 1
1115 1 70 LYS H 1 70 LYS QB 3.230 . 3.230 2.583 2.098 2.898 . 0 0 "[ . 1 . 2]" 1
1116 1 70 LYS H 1 70 LYS QG 4.430 . 4.430 2.638 1.968 4.056 . 0 0 "[ . 1 . 2]" 1
1117 1 70 LYS HA 1 70 LYS QB 2.700 . 2.700 2.197 2.128 2.342 . 0 0 "[ . 1 . 2]" 1
1118 1 70 LYS HA 1 70 LYS QG 3.590 . 3.590 3.234 2.509 3.519 . 0 0 "[ . 1 . 2]" 1
1119 1 70 LYS QB 1 71 PHE H 3.700 . 3.700 3.493 2.360 3.793 0.093 15 0 "[ . 1 . 2]" 1
1120 1 70 LYS QE 1 70 LYS QG 3.310 . 3.310 2.309 2.074 2.808 . 0 0 "[ . 1 . 2]" 1
1121 1 70 LYS QE 1 71 PHE QE 4.790 . 4.790 2.581 2.035 3.658 . 0 0 "[ . 1 . 2]" 1
1122 1 70 LYS QE 1 71 PHE HZ 4.620 . 4.620 4.089 3.262 4.721 0.101 3 0 "[ . 1 . 2]" 1
1123 1 70 LYS QG 1 71 PHE H 4.090 . 4.090 3.205 2.538 4.176 0.086 17 0 "[ . 1 . 2]" 1
1124 1 71 PHE H 1 71 PHE HB2 3.790 . 3.790 2.135 1.909 2.370 . 0 0 "[ . 1 . 2]" 1
1125 1 71 PHE H 1 71 PHE HB3 3.240 . 3.240 3.406 3.324 3.458 0.218 10 0 "[ . 1 . 2]" 1
1126 1 71 PHE H 1 71 PHE QD 4.480 . 4.480 2.871 2.071 3.256 . 0 0 "[ . 1 . 2]" 1
1127 1 71 PHE H 1 71 PHE QE 4.880 . 4.880 4.566 4.334 4.735 . 0 0 "[ . 1 . 2]" 1
1128 1 71 PHE H 1 72 TYR H 4.090 . 4.090 2.526 2.412 2.652 . 0 0 "[ . 1 . 2]" 1
1129 1 71 PHE HA 1 71 PHE HB2 2.800 . 2.800 2.915 2.872 2.938 0.138 16 0 "[ . 1 . 2]" 1
1130 1 71 PHE HA 1 71 PHE QD 3.570 . 3.570 2.339 2.127 3.023 . 0 0 "[ . 1 . 2]" 1
1131 1 71 PHE HA 1 71 PHE QE 4.450 . 4.450 4.484 4.459 4.537 0.087 9 0 "[ . 1 . 2]" 1
1132 1 71 PHE HB3 1 72 TYR H 4.380 . 4.380 3.127 2.712 3.408 . 0 0 "[ . 1 . 2]" 1
1133 1 71 PHE QD 1 72 TYR H 5.130 . 5.130 4.123 4.003 4.239 . 0 0 "[ . 1 . 2]" 1
1134 1 72 TYR H 1 72 TYR HB2 3.990 . 3.990 2.482 2.385 2.640 . 0 0 "[ . 1 . 2]" 1
1135 1 72 TYR H 1 72 TYR HB3 3.590 . 3.590 3.640 3.591 3.720 0.130 9 0 "[ . 1 . 2]" 1
1136 1 72 TYR H 1 72 TYR QD 4.320 . 4.320 2.858 2.328 3.391 . 0 0 "[ . 1 . 2]" 1
1137 1 72 TYR HA 1 72 TYR QD 3.290 . 3.290 2.621 2.242 2.958 . 0 0 "[ . 1 . 2]" 1
1138 1 72 TYR HA 1 72 TYR QE 4.390 . 4.390 4.448 4.303 4.498 0.108 9 0 "[ . 1 . 2]" 1
1139 1 72 TYR HB2 1 73 SER H 4.500 . 4.500 4.036 1.929 4.478 . 0 0 "[ . 1 . 2]" 1
1140 1 72 TYR QD 1 73 SER H 5.430 . 5.430 4.652 3.886 5.000 . 0 0 "[ . 1 . 2]" 1
1141 1 72 TYR QD 1 75 ILE HG12 4.580 . 4.580 4.287 3.509 4.606 0.026 11 0 "[ . 1 . 2]" 1
1142 1 72 TYR QD 1 75 ILE HG13 3.340 . 3.340 3.146 2.011 3.413 0.073 6 0 "[ . 1 . 2]" 1
1143 1 72 TYR QE 1 75 ILE MD 4.570 . 4.570 3.069 2.131 4.586 0.016 20 0 "[ . 1 . 2]" 1
1144 1 73 SER HA 1 73 SER QB 2.750 . 2.750 2.286 2.161 2.423 . 0 0 "[ . 1 . 2]" 1
1145 1 74 LYS H 1 74 LYS HB2 4.190 . 4.190 2.522 2.264 2.764 . 0 0 "[ . 1 . 2]" 1
1146 1 74 LYS H 1 74 LYS HG2 4.960 . 4.960 4.591 4.420 4.726 . 0 0 "[ . 1 . 2]" 1
1147 1 74 LYS H 1 75 ILE HG13 4.270 . 4.270 4.036 3.592 4.310 0.040 10 0 "[ . 1 . 2]" 1
1148 1 74 LYS HA 1 74 LYS QD 3.130 . 3.130 2.197 1.962 3.174 0.044 6 0 "[ . 1 . 2]" 1
1149 1 74 LYS HA 1 74 LYS HG2 3.990 . 3.990 3.799 3.746 3.902 . 0 0 "[ . 1 . 2]" 1
1150 1 74 LYS HA 1 74 LYS HG3 3.470 . 3.470 3.094 2.874 3.259 . 0 0 "[ . 1 . 2]" 1
1151 1 74 LYS HB2 1 75 ILE H 3.710 . 3.710 3.740 3.616 3.791 0.081 13 0 "[ . 1 . 2]" 1
1152 1 74 LYS QD 1 74 LYS HG2 2.530 . 2.530 2.348 2.142 2.430 . 0 0 "[ . 1 . 2]" 1
1153 1 74 LYS QE 1 74 LYS HG2 3.880 . 3.880 2.629 2.316 3.369 . 0 0 "[ . 1 . 2]" 1
1154 1 74 LYS HG3 1 75 ILE H 3.870 . 3.870 3.781 3.376 3.928 0.058 8 0 "[ . 1 . 2]" 1
1155 1 75 ILE H 1 75 ILE HB 3.350 . 3.350 2.827 2.536 3.505 0.155 18 0 "[ . 1 . 2]" 1
1156 1 75 ILE H 1 75 ILE MD 4.060 . 4.060 3.611 2.481 3.862 . 0 0 "[ . 1 . 2]" 1
1157 1 75 ILE H 1 75 ILE HG12 4.380 . 4.380 3.064 1.787 3.467 0.013 9 0 "[ . 1 . 2]" 1
1158 1 75 ILE H 1 75 ILE HG13 3.440 . 3.440 2.163 1.820 2.646 . 0 0 "[ . 1 . 2]" 1
1159 1 75 ILE H 1 75 ILE MG 3.850 . 3.850 3.663 2.741 3.861 0.011 11 0 "[ . 1 . 2]" 1
1160 1 75 ILE HA 1 75 ILE MD 3.890 . 3.890 3.888 3.742 4.068 0.178 10 0 "[ . 1 . 2]" 1
1161 1 75 ILE HA 1 75 ILE HG12 3.990 . 3.990 2.832 2.468 4.109 0.119 20 0 "[ . 1 . 2]" 1
1162 1 75 ILE HA 1 75 ILE HG13 3.760 . 3.760 3.296 2.990 3.763 0.003 9 0 "[ . 1 . 2]" 1
1163 1 75 ILE HA 1 75 ILE MG 3.270 . 3.270 2.311 2.148 2.432 . 0 0 "[ . 1 . 2]" 1
1164 1 75 ILE HB 1 75 ILE MD 3.580 . 3.580 2.478 2.351 2.609 . 0 0 "[ . 1 . 2]" 1
1165 1 75 ILE HB 1 76 SER HA 4.360 . 4.360 4.356 3.923 4.485 0.125 2 0 "[ . 1 . 2]" 1
1166 1 75 ILE HG13 1 75 ILE MG 3.300 . 3.300 3.175 2.568 3.228 . 0 0 "[ . 1 . 2]" 1
1167 1 75 ILE MG 1 76 SER H 4.810 . 4.810 3.546 2.756 4.305 . 0 0 "[ . 1 . 2]" 1
1168 1 75 ILE MG 1 78 TYR H 5.450 . 5.450 4.022 3.068 4.848 . 0 0 "[ . 1 . 2]" 1
1169 1 75 ILE MG 1 78 TYR HB3 4.430 . 4.430 3.353 1.958 4.517 0.087 13 0 "[ . 1 . 2]" 1
1170 1 75 ILE MG 1 78 TYR QD 4.010 . 4.010 2.678 2.060 3.792 . 0 0 "[ . 1 . 2]" 1
1171 1 75 ILE MG 1 78 TYR QE 4.500 . 4.500 4.081 3.208 4.538 0.038 6 0 "[ . 1 . 2]" 1
1172 1 76 SER HA 1 77 GLU H 3.350 . 3.350 3.194 2.104 3.480 0.130 20 0 "[ . 1 . 2]" 1
1173 1 77 GLU HA 1 77 GLU HB2 3.010 . 3.010 2.643 2.444 3.028 0.018 2 0 "[ . 1 . 2]" 1
1174 1 77 GLU HA 1 77 GLU HG3 3.830 . 3.830 3.370 2.472 3.860 0.030 13 0 "[ . 1 . 2]" 1
1175 1 77 GLU HA 1 78 TYR H 3.590 . 3.590 2.771 1.996 3.576 . 0 0 "[ . 1 . 2]" 1
1176 1 77 GLU HB2 1 77 GLU HG3 2.680 . 2.680 2.405 2.259 2.540 . 0 0 "[ . 1 . 2]" 1
1177 1 78 TYR H 1 78 TYR HB2 3.630 . 3.630 2.743 2.162 3.573 . 0 0 "[ . 1 . 2]" 1
1178 1 78 TYR H 1 78 TYR HB3 3.500 . 3.500 2.943 2.360 3.545 0.045 10 0 "[ . 1 . 2]" 1
1179 1 78 TYR H 1 78 TYR QD 4.250 . 4.250 4.153 3.581 4.404 0.154 13 0 "[ . 1 . 2]" 1
1180 1 78 TYR HA 1 78 TYR HB2 2.780 . 2.780 2.561 2.437 2.849 0.069 5 0 "[ . 1 . 2]" 1
1181 1 78 TYR HA 1 78 TYR QE 4.210 . 4.210 4.243 3.967 4.339 0.129 18 0 "[ . 1 . 2]" 1
1182 1 78 TYR HA 1 79 ARG H 3.360 . 3.360 2.178 1.961 2.497 . 0 0 "[ . 1 . 2]" 1
1183 1 78 TYR HB2 1 79 ARG H 4.370 . 4.370 4.296 3.804 4.423 0.053 14 0 "[ . 1 . 2]" 1
1184 1 78 TYR QD 1 79 ARG HA 4.510 . 4.510 4.479 4.214 4.610 0.100 5 0 "[ . 1 . 2]" 1
1185 1 78 TYR QE 1 79 ARG H 4.710 . 4.710 4.341 3.401 4.777 0.067 6 0 "[ . 1 . 2]" 1
1186 1 78 TYR QE 1 80 HIS HB3 4.170 . 4.170 3.201 2.074 4.288 0.118 3 0 "[ . 1 . 2]" 1
1187 1 79 ARG H 1 79 ARG QB 3.410 . 3.410 2.760 2.375 3.229 . 0 0 "[ . 1 . 2]" 1
1188 1 79 ARG H 1 79 ARG QG 3.950 . 3.950 3.188 2.194 4.013 0.063 12 0 "[ . 1 . 2]" 1
1189 1 79 ARG H 1 80 HIS HA 4.330 . 4.330 4.260 3.826 4.470 0.140 2 0 "[ . 1 . 2]" 1
1190 1 79 ARG H 1 80 HIS HB3 4.340 . 4.340 4.170 2.764 4.478 0.138 15 0 "[ . 1 . 2]" 1
1191 1 79 ARG H 1 80 HIS HD2 4.760 . 4.760 4.138 3.009 4.956 0.196 18 0 "[ . 1 . 2]" 1
1192 1 79 ARG H 1 81 TYR QD 4.720 . 4.720 4.680 4.242 4.819 0.099 13 0 "[ . 1 . 2]" 1
1193 1 79 ARG HA 1 79 ARG QD 3.700 . 3.700 3.044 2.082 3.912 0.212 18 0 "[ . 1 . 2]" 1
1194 1 79 ARG HA 1 79 ARG QG 3.290 . 3.290 2.885 2.347 3.423 0.133 20 0 "[ . 1 . 2]" 1
1195 1 79 ARG HA 1 81 TYR QD 4.460 . 4.460 2.708 2.173 3.826 . 0 0 "[ . 1 . 2]" 1
1196 1 79 ARG HA 1 81 TYR QE 4.820 . 4.820 2.759 2.021 4.511 . 0 0 "[ . 1 . 2]" 1
1197 1 79 ARG QB 1 79 ARG QD 3.200 . 3.200 2.450 2.085 2.873 . 0 0 "[ . 1 . 2]" 1
1198 1 79 ARG QB 1 81 TYR QE 4.880 . 4.880 4.154 2.984 4.955 0.075 7 0 "[ . 1 . 2]" 1
1199 1 80 HIS HA 1 80 HIS HB2 2.810 . 2.810 2.515 2.315 2.685 . 0 0 "[ . 1 . 2]" 1
1200 1 80 HIS HA 1 80 HIS HD2 4.150 . 4.150 4.135 3.680 4.292 0.142 8 0 "[ . 1 . 2]" 1
1201 1 80 HIS HB2 1 80 HIS HD2 3.590 . 3.590 3.657 2.425 3.778 0.188 14 0 "[ . 1 . 2]" 1
1202 1 80 HIS HB2 1 81 TYR H 4.710 . 4.710 3.766 2.559 4.596 . 0 0 "[ . 1 . 2]" 1
1203 1 80 HIS HB2 1 81 TYR QD 4.840 . 4.840 4.900 4.798 4.993 0.153 20 0 "[ . 1 . 2]" 1
1204 1 80 HIS HB3 1 80 HIS HD2 3.430 . 3.430 2.818 2.473 3.561 0.131 19 0 "[ . 1 . 2]" 1
1205 1 80 HIS HB3 1 81 TYR QD 4.750 . 4.750 4.788 4.609 4.941 0.191 17 0 "[ . 1 . 2]" 1
1206 1 81 TYR H 1 81 TYR QD 4.700 . 4.700 2.688 1.881 3.236 . 0 0 "[ . 1 . 2]" 1
1207 1 81 TYR HA 1 81 TYR QD 3.220 . 3.220 3.044 2.834 3.143 . 0 0 "[ . 1 . 2]" 1
1208 1 81 TYR HA 1 81 TYR QE 4.550 . 4.550 4.603 4.453 4.677 0.127 8 0 "[ . 1 . 2]" 1
1209 1 81 TYR HA 1 82 SER H 2.950 . 2.950 2.336 1.830 2.905 . 0 0 "[ . 1 . 2]" 1
1210 1 81 TYR HB2 1 82 SER H 4.200 . 4.200 3.760 2.977 4.295 0.095 15 0 "[ . 1 . 2]" 1
1211 1 81 TYR HB3 1 82 SER H 3.900 . 3.900 2.642 1.832 3.699 . 0 0 "[ . 1 . 2]" 1
1212 1 81 TYR QD 1 82 SER H 4.350 . 4.350 3.899 3.514 4.415 0.065 13 0 "[ . 1 . 2]" 1
1213 1 82 SER H 1 82 SER QB 3.360 . 3.360 2.889 2.480 3.370 0.010 1 0 "[ . 1 . 2]" 1
1214 1 82 SER HA 1 82 SER QB 2.670 . 2.670 2.331 2.181 2.459 . 0 0 "[ . 1 . 2]" 1
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