NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569997 |
2m7q   |
19201 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m7q
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 1111
_Distance_constraint_stats_list.Viol_count 2530
_Distance_constraint_stats_list.Viol_total 3235.363
_Distance_constraint_stats_list.Viol_max 1.001
_Distance_constraint_stats_list.Viol_rms 0.0298
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0639
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 MET 2.524 0.247 5 0 "[ . 1 . 2]"
1 5 ASP 2.582 0.247 5 0 "[ . 1 . 2]"
1 6 VAL 5.857 0.240 14 0 "[ . 1 . 2]"
1 7 HIS 6.221 0.240 14 0 "[ . 1 . 2]"
1 8 LYS 3.462 0.235 13 0 "[ . 1 . 2]"
1 9 LYS 3.184 0.146 2 0 "[ . 1 . 2]"
1 10 CYS 1.816 0.115 18 0 "[ . 1 . 2]"
1 11 PRO 1.176 0.091 12 0 "[ . 1 . 2]"
1 12 LEU 3.597 0.124 13 0 "[ . 1 . 2]"
1 13 CYS 3.312 0.150 18 0 "[ . 1 . 2]"
1 14 GLU 2.577 0.150 18 0 "[ . 1 . 2]"
1 15 LEU 4.497 0.358 13 0 "[ . 1 . 2]"
1 16 MET 3.468 0.213 16 0 "[ . 1 . 2]"
1 17 PHE 1.487 0.192 13 0 "[ . 1 . 2]"
1 18 PRO 0.317 0.070 18 0 "[ . 1 . 2]"
1 19 PRO 2.602 0.167 5 0 "[ . 1 . 2]"
1 20 ASN 2.439 0.167 5 0 "[ . 1 . 2]"
1 21 TYR 8.753 0.230 14 0 "[ . 1 . 2]"
1 22 ASP 10.698 0.208 16 0 "[ . 1 . 2]"
1 23 GLN 6.947 0.201 20 0 "[ . 1 . 2]"
1 24 SER 2.101 0.102 6 0 "[ . 1 . 2]"
1 25 LYS 3.226 0.134 19 0 "[ . 1 . 2]"
1 26 PHE 3.184 0.107 2 0 "[ . 1 . 2]"
1 27 GLU 3.130 0.151 13 0 "[ . 1 . 2]"
1 28 GLU 6.958 0.284 14 0 "[ . 1 . 2]"
1 29 HIS 10.343 0.358 13 0 "[ . 1 . 2]"
1 30 VAL 7.690 0.210 9 0 "[ . 1 . 2]"
1 31 GLU 1.680 0.175 14 0 "[ . 1 . 2]"
1 32 SER 0.507 0.114 2 0 "[ . 1 . 2]"
1 33 HIS 4.860 0.164 18 0 "[ . 1 . 2]"
1 34 TRP 18.186 1.001 17 1 "[ . 1 . + 2]"
1 35 LYS 8.599 0.185 4 0 "[ . 1 . 2]"
1 36 VAL 5.540 0.185 4 0 "[ . 1 . 2]"
1 37 CYS 4.323 0.190 18 0 "[ . 1 . 2]"
1 38 PRO 2.091 0.140 9 0 "[ . 1 . 2]"
1 39 MET 3.504 0.154 5 0 "[ . 1 . 2]"
1 40 CYS 12.642 0.295 19 0 "[ . 1 . 2]"
1 41 SER 4.175 0.144 10 0 "[ . 1 . 2]"
1 42 GLU 13.878 0.275 10 0 "[ . 1 . 2]"
1 43 GLN 13.474 0.275 10 0 "[ . 1 . 2]"
1 44 PHE 3.166 0.147 20 0 "[ . 1 . 2]"
1 45 PRO 1.937 0.129 13 0 "[ . 1 . 2]"
1 46 PRO 1.711 0.073 12 0 "[ . 1 . 2]"
1 47 ASP 0.010 0.010 20 0 "[ . 1 . 2]"
1 48 TYR 7.506 0.303 4 0 "[ . 1 . 2]"
1 49 ASP 12.737 0.303 4 0 "[ . 1 . 2]"
1 50 GLN 5.264 0.213 18 0 "[ . 1 . 2]"
1 51 GLN 2.493 0.132 10 0 "[ . 1 . 2]"
1 52 VAL 6.982 0.257 19 0 "[ . 1 . 2]"
1 53 PHE 1.199 0.097 9 0 "[ . 1 . 2]"
1 54 GLU 2.895 0.133 7 0 "[ . 1 . 2]"
1 55 ARG 2.004 0.133 7 0 "[ . 1 . 2]"
1 56 HIS 0.644 0.093 2 0 "[ . 1 . 2]"
1 57 VAL 4.344 0.093 18 0 "[ . 1 . 2]"
1 58 GLN 3.729 0.108 18 0 "[ . 1 . 2]"
1 59 THR 3.599 0.206 14 0 "[ . 1 . 2]"
1 60 HIS 7.723 0.295 19 0 "[ . 1 . 2]"
1 61 PHE 3.424 0.116 20 0 "[ . 1 . 2]"
1 62 ASP 8.417 0.260 14 0 "[ . 1 . 2]"
1 63 GLN 4.704 0.180 6 0 "[ . 1 . 2]"
1 64 ASN 1.244 0.260 14 0 "[ . 1 . 2]"
1 65 VAL 1.465 0.194 8 0 "[ . 1 . 2]"
1 66 LEU 1.996 0.194 8 0 "[ . 1 . 2]"
1 67 ASN 0.277 0.146 2 0 "[ . 1 . 2]"
1 68 PHE 0.117 0.079 2 0 "[ . 1 . 2]"
1 69 ASP 0.117 0.079 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 PRO QD 2.460 . 3.120 1.999 1.878 2.107 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO QB 1 3 HIS H 2.930 . 4.060 3.408 1.827 3.974 . 0 0 "[ . 1 . 2]" 1
3 1 3 HIS H 1 3 HIS QB 2.685 . 3.570 2.721 2.231 3.382 . 0 0 "[ . 1 . 2]" 1
4 1 3 HIS HB2 1 4 MET H 3.545 . 5.290 3.363 2.086 4.466 . 0 0 "[ . 1 . 2]" 1
5 1 3 HIS HB3 1 4 MET H 3.545 . 5.290 3.503 1.928 4.549 . 0 0 "[ . 1 . 2]" 1
6 1 4 MET H 1 4 MET QB 2.695 . 3.590 2.686 2.272 3.437 . 0 0 "[ . 1 . 2]" 1
7 1 4 MET H 1 5 ASP H 2.835 . 3.870 3.534 2.176 4.089 0.219 10 0 "[ . 1 . 2]" 1
8 1 4 MET HA 1 4 MET ME 2.840 . 3.880 3.400 1.808 4.125 0.245 6 0 "[ . 1 . 2]" 1
9 1 4 MET HA 1 4 MET HG2 2.845 . 3.890 3.217 2.447 3.847 . 0 0 "[ . 1 . 2]" 1
10 1 4 MET HA 1 4 MET HG3 2.845 . 3.890 3.117 2.515 3.904 0.014 18 0 "[ . 1 . 2]" 1
11 1 4 MET HA 1 5 ASP H 2.430 . 3.060 2.443 1.955 3.307 0.247 5 0 "[ . 1 . 2]" 1
12 1 4 MET ME 1 5 ASP H 3.305 . 4.810 4.447 3.294 4.897 0.087 15 0 "[ . 1 . 2]" 1
13 1 5 ASP H 1 5 ASP HB2 2.865 . 3.930 3.158 2.322 3.882 . 0 0 "[ . 1 . 2]" 1
14 1 5 ASP H 1 5 ASP HB3 2.865 . 3.930 3.004 2.447 3.822 . 0 0 "[ . 1 . 2]" 1
15 1 5 ASP H 1 6 VAL H 2.995 . 4.190 3.745 2.493 4.266 0.076 20 0 "[ . 1 . 2]" 1
16 1 5 ASP H 1 6 VAL QG 3.350 . 4.900 3.913 2.650 4.979 0.079 2 0 "[ . 1 . 2]" 1
17 1 5 ASP HA 1 6 VAL H 2.470 . 3.140 2.388 1.929 3.176 0.036 15 0 "[ . 1 . 2]" 1
18 1 5 ASP HA 1 6 VAL QG 2.960 . 4.120 3.689 3.086 4.205 0.085 15 0 "[ . 1 . 2]" 1
19 1 5 ASP HA 1 7 HIS H 3.200 . 4.600 3.482 2.747 4.180 . 0 0 "[ . 1 . 2]" 1
20 1 5 ASP QB 1 7 HIS H 3.465 . 5.130 3.869 2.293 5.130 0.000 11 0 "[ . 1 . 2]" 1
21 1 5 ASP HB2 1 6 VAL H 3.070 . 4.340 3.921 1.994 4.427 0.087 1 0 "[ . 1 . 2]" 1
22 1 5 ASP HB3 1 6 VAL H 3.070 . 4.340 3.870 2.313 4.392 0.052 15 0 "[ . 1 . 2]" 1
23 1 6 VAL H 1 6 VAL HB 2.570 . 3.340 3.045 2.662 3.483 0.143 6 0 "[ . 1 . 2]" 1
24 1 6 VAL H 1 6 VAL QG 2.560 . 3.320 2.545 2.245 3.045 . 0 0 "[ . 1 . 2]" 1
25 1 6 VAL H 1 7 HIS H 2.685 . 3.570 2.107 1.717 2.680 0.083 14 0 "[ . 1 . 2]" 1
26 1 6 VAL H 1 7 HIS HA 2.830 . 3.860 3.884 3.638 4.100 0.240 14 0 "[ . 1 . 2]" 1
27 1 6 VAL H 1 8 LYS H 3.050 . 4.300 3.913 2.332 4.397 0.097 9 0 "[ . 1 . 2]" 1
28 1 6 VAL HA 1 6 VAL MG1 2.765 . 3.730 2.806 2.331 3.265 . 0 0 "[ . 1 . 2]" 1
29 1 6 VAL HA 1 6 VAL MG2 2.765 . 3.730 2.489 2.324 2.671 . 0 0 "[ . 1 . 2]" 1
30 1 6 VAL HA 1 7 HIS H 2.510 . 3.220 2.790 2.382 3.323 0.103 6 0 "[ . 1 . 2]" 1
31 1 6 VAL HA 1 7 HIS HA 2.995 . 4.190 4.322 4.208 4.396 0.206 19 0 "[ . 1 . 2]" 1
32 1 6 VAL HA 1 8 LYS H 3.160 . 4.520 3.395 2.690 4.642 0.122 6 0 "[ . 1 . 2]" 1
33 1 6 VAL HB 1 7 HIS H 3.100 . 4.400 4.186 3.571 4.447 0.047 10 0 "[ . 1 . 2]" 1
34 1 6 VAL QG 1 7 HIS H 3.065 . 4.330 3.545 2.520 3.777 . 0 0 "[ . 1 . 2]" 1
35 1 6 VAL MG1 1 7 HIS H 3.430 . 5.060 3.912 2.546 4.273 . 0 0 "[ . 1 . 2]" 1
36 1 6 VAL MG2 1 7 HIS H 3.430 . 5.060 4.157 3.885 4.299 . 0 0 "[ . 1 . 2]" 1
37 1 7 HIS H 1 7 HIS HB2 2.905 . 4.010 2.859 2.461 3.881 . 0 0 "[ . 1 . 2]" 1
38 1 7 HIS H 1 7 HIS QB 2.630 . 3.460 2.649 2.303 3.349 . 0 0 "[ . 1 . 2]" 1
39 1 7 HIS H 1 7 HIS HB3 2.905 . 4.010 3.509 2.456 4.049 0.039 20 0 "[ . 1 . 2]" 1
40 1 7 HIS H 1 8 LYS H 2.925 . 4.050 2.411 1.778 3.464 0.022 13 0 "[ . 1 . 2]" 1
41 1 7 HIS H 1 8 LYS QB 3.460 . 5.120 4.355 3.316 5.029 . 0 0 "[ . 1 . 2]" 1
42 1 7 HIS HA 1 7 HIS HD2 3.285 . 4.770 3.574 2.332 4.683 . 0 0 "[ . 1 . 2]" 1
43 1 7 HIS HA 1 8 LYS H 2.420 . 3.040 2.978 2.042 3.275 0.235 13 0 "[ . 1 . 2]" 1
44 1 7 HIS QB 1 8 LYS HA 3.220 . 4.640 4.263 3.926 4.654 0.014 9 0 "[ . 1 . 2]" 1
45 1 7 HIS HB2 1 8 LYS H 3.015 . 4.230 3.833 3.107 4.296 0.066 2 0 "[ . 1 . 2]" 1
46 1 7 HIS HB3 1 8 LYS H 3.015 . 4.230 4.125 3.415 4.326 0.096 7 0 "[ . 1 . 2]" 1
47 1 8 LYS H 1 8 LYS HB2 2.870 . 3.940 2.577 2.367 2.851 . 0 0 "[ . 1 . 2]" 1
48 1 8 LYS H 1 8 LYS HB3 2.870 . 3.940 3.618 2.545 3.863 . 0 0 "[ . 1 . 2]" 1
49 1 8 LYS H 1 8 LYS QD 3.420 . 5.040 3.779 2.377 4.708 . 0 0 "[ . 1 . 2]" 1
50 1 8 LYS H 1 8 LYS QG 3.115 . 4.430 3.042 2.206 4.207 . 0 0 "[ . 1 . 2]" 1
51 1 8 LYS H 1 9 LYS H 2.865 . 3.930 3.821 3.573 4.039 0.109 10 0 "[ . 1 . 2]" 1
52 1 8 LYS H 1 9 LYS QG 3.340 . 4.880 4.000 3.231 4.884 0.004 11 0 "[ . 1 . 2]" 1
53 1 8 LYS H 1 17 PHE H 3.225 . 4.650 4.394 3.375 4.789 0.139 7 0 "[ . 1 . 2]" 1
54 1 8 LYS HA 1 8 LYS QD 2.960 . 4.120 2.572 1.956 4.154 0.034 14 0 "[ . 1 . 2]" 1
55 1 8 LYS HA 1 8 LYS HG2 2.900 . 4.000 3.096 2.339 3.720 . 0 0 "[ . 1 . 2]" 1
56 1 8 LYS HA 1 8 LYS QG 2.655 . 3.510 2.728 2.259 3.075 . 0 0 "[ . 1 . 2]" 1
57 1 8 LYS HA 1 8 LYS HG3 2.900 . 4.000 3.354 2.450 3.850 . 0 0 "[ . 1 . 2]" 1
58 1 8 LYS HA 1 9 LYS H 2.405 . 3.010 2.165 1.882 2.308 . 0 0 "[ . 1 . 2]" 1
59 1 8 LYS QB 1 9 LYS H 2.955 . 4.110 3.709 3.113 3.935 . 0 0 "[ . 1 . 2]" 1
60 1 8 LYS QB 1 17 PHE QD 3.315 . 4.830 3.030 2.120 3.815 . 0 0 "[ . 1 . 2]" 1
61 1 8 LYS HB2 1 9 LYS H 3.245 . 4.690 4.438 4.183 4.630 . 0 0 "[ . 1 . 2]" 1
62 1 8 LYS HB3 1 9 LYS H 3.245 . 4.690 3.986 3.211 4.303 . 0 0 "[ . 1 . 2]" 1
63 1 8 LYS QD 1 9 LYS H 3.570 . 5.340 4.362 3.421 5.478 0.138 1 0 "[ . 1 . 2]" 1
64 1 8 LYS QG 1 9 LYS H 3.475 . 5.150 4.524 3.418 4.916 . 0 0 "[ . 1 . 2]" 1
65 1 9 LYS H 1 9 LYS HB2 2.920 . 4.040 2.924 2.453 3.815 . 0 0 "[ . 1 . 2]" 1
66 1 9 LYS H 1 9 LYS QD 2.900 . 4.000 3.473 2.326 4.115 0.115 17 0 "[ . 1 . 2]" 1
67 1 9 LYS H 1 9 LYS QG 2.805 . 3.810 2.931 2.191 3.728 . 0 0 "[ . 1 . 2]" 1
68 1 9 LYS H 1 10 CYS H 3.095 . 4.390 4.253 4.115 4.411 0.021 6 0 "[ . 1 . 2]" 1
69 1 9 LYS HA 1 10 CYS H 2.630 . 3.460 2.098 1.969 2.194 . 0 0 "[ . 1 . 2]" 1
70 1 9 LYS HA 1 10 CYS HB2 3.085 . 4.370 4.398 3.927 4.485 0.115 18 0 "[ . 1 . 2]" 1
71 1 9 LYS HA 1 16 MET HA 2.740 . 3.680 2.533 2.025 3.122 . 0 0 "[ . 1 . 2]" 1
72 1 9 LYS HA 1 16 MET QG 3.500 . 5.200 4.263 3.534 5.250 0.050 11 0 "[ . 1 . 2]" 1
73 1 9 LYS HA 1 17 PHE H 3.110 . 4.420 3.199 2.913 3.580 . 0 0 "[ . 1 . 2]" 1
74 1 9 LYS HA 1 17 PHE QD 3.065 . 4.330 2.923 2.296 3.622 . 0 0 "[ . 1 . 2]" 1
75 1 9 LYS HB2 1 9 LYS HE2 3.495 . 5.190 4.009 2.656 4.694 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS HB2 1 9 LYS QE 3.100 . 4.400 3.420 1.942 4.376 . 0 0 "[ . 1 . 2]" 1
77 1 9 LYS HB2 1 9 LYS HE3 3.495 . 5.190 3.982 1.952 5.336 0.146 2 0 "[ . 1 . 2]" 1
78 1 9 LYS HB2 1 10 CYS H 3.045 . 4.290 3.682 2.879 4.035 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS HB2 1 11 PRO HA 3.110 . 4.420 4.132 3.374 4.511 0.091 12 0 "[ . 1 . 2]" 1
80 1 9 LYS HB2 1 14 GLU HA 3.045 . 4.290 3.651 2.469 4.367 0.077 16 0 "[ . 1 . 2]" 1
81 1 9 LYS HB3 1 9 LYS HE2 3.560 . 5.320 4.104 1.970 5.403 0.083 16 0 "[ . 1 . 2]" 1
82 1 9 LYS HB3 1 9 LYS QE 3.190 . 4.580 3.512 1.950 4.393 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS HB3 1 9 LYS HE3 3.560 . 5.320 4.085 2.189 5.356 0.036 11 0 "[ . 1 . 2]" 1
84 1 9 LYS HB3 1 10 CYS H 3.155 . 4.510 3.150 2.822 3.965 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS HB3 1 14 GLU HA 3.015 . 4.230 2.974 1.945 4.292 0.062 3 0 "[ . 1 . 2]" 1
86 1 9 LYS QG 1 14 GLU HA 3.510 . 5.220 4.192 3.224 5.181 . 0 0 "[ . 1 . 2]" 1
87 1 10 CYS H 1 10 CYS HB2 2.850 . 3.900 2.403 1.820 2.510 . 0 0 "[ . 1 . 2]" 1
88 1 10 CYS H 1 10 CYS HB3 2.845 . 3.890 2.544 2.252 3.552 . 0 0 "[ . 1 . 2]" 1
89 1 10 CYS H 1 15 LEU H 3.295 . 4.790 3.356 2.467 4.048 . 0 0 "[ . 1 . 2]" 1
90 1 10 CYS H 1 16 MET HA 3.110 . 4.420 3.889 2.886 4.430 0.010 15 0 "[ . 1 . 2]" 1
91 1 10 CYS H 1 17 PHE QE 3.455 . 5.110 2.664 1.847 3.637 . 0 0 "[ . 1 . 2]" 1
92 1 10 CYS HA 1 11 PRO HD3 2.880 . 3.960 2.408 2.094 2.579 . 0 0 "[ . 1 . 2]" 1
93 1 10 CYS HA 1 26 PHE QE 3.070 . 4.340 2.547 2.057 3.239 . 0 0 "[ . 1 . 2]" 1
94 1 10 CYS HA 1 26 PHE HZ 3.220 . 4.640 3.358 2.712 4.007 . 0 0 "[ . 1 . 2]" 1
95 1 10 CYS HA 1 30 VAL MG2 2.905 . 4.010 3.114 2.727 4.055 0.045 13 0 "[ . 1 . 2]" 1
96 1 10 CYS HB2 1 13 CYS H 3.150 . 4.500 4.150 2.786 4.573 0.073 20 0 "[ . 1 . 2]" 1
97 1 10 CYS HB2 1 14 GLU H 3.335 . 4.870 4.245 2.150 4.880 0.010 1 0 "[ . 1 . 2]" 1
98 1 10 CYS HB2 1 14 GLU HA 3.620 . 5.440 4.864 3.823 5.503 0.063 17 0 "[ . 1 . 2]" 1
99 1 10 CYS HB2 1 15 LEU H 3.190 . 4.580 3.484 1.909 4.477 . 0 0 "[ . 1 . 2]" 1
100 1 10 CYS HB2 1 15 LEU QB 3.155 . 4.510 2.882 1.900 3.468 . 0 0 "[ . 1 . 2]" 1
101 1 10 CYS HB2 1 17 PHE QE 2.875 . 3.950 2.410 1.970 3.687 . 0 0 "[ . 1 . 2]" 1
102 1 10 CYS HB2 1 26 PHE QE 3.285 . 4.770 3.971 3.040 4.847 0.077 13 0 "[ . 1 . 2]" 1
103 1 10 CYS HB3 1 13 CYS H 2.715 . 3.630 2.836 1.895 3.120 . 0 0 "[ . 1 . 2]" 1
104 1 10 CYS HB3 1 14 GLU H 3.155 . 4.510 2.783 2.097 3.270 . 0 0 "[ . 1 . 2]" 1
105 1 10 CYS HB3 1 15 LEU H 3.205 . 4.610 2.449 1.839 3.448 . 0 0 "[ . 1 . 2]" 1
106 1 10 CYS HB3 1 15 LEU QB 3.155 . 4.510 2.920 2.507 3.608 . 0 0 "[ . 1 . 2]" 1
107 1 10 CYS HB3 1 17 PHE QE 3.115 . 4.430 3.698 3.140 4.462 0.032 13 0 "[ . 1 . 2]" 1
108 1 10 CYS HB3 1 26 PHE QE 3.650 . 5.500 4.831 4.260 5.504 0.004 2 0 "[ . 1 . 2]" 1
109 1 11 PRO HA 1 12 LEU QD 2.985 . 4.170 3.969 3.756 4.213 0.043 17 0 "[ . 1 . 2]" 1
110 1 11 PRO HA 1 14 GLU H 3.650 . 5.500 4.196 3.680 5.400 . 0 0 "[ . 1 . 2]" 1
111 1 11 PRO QB 1 12 LEU QD 2.670 . 3.540 2.526 2.070 2.903 . 0 0 "[ . 1 . 2]" 1
112 1 11 PRO HD2 1 12 LEU H 3.180 . 4.560 2.840 2.404 3.233 . 0 0 "[ . 1 . 2]" 1
113 1 11 PRO HD2 1 26 PHE HZ 3.060 . 4.320 3.413 3.072 4.335 0.015 8 0 "[ . 1 . 2]" 1
114 1 11 PRO HD2 1 30 VAL MG1 3.010 . 4.220 3.140 2.743 3.584 . 0 0 "[ . 1 . 2]" 1
115 1 11 PRO HD2 1 30 VAL MG2 2.645 . 3.490 2.362 2.083 2.822 . 0 0 "[ . 1 . 2]" 1
116 1 11 PRO HD3 1 12 LEU QD 3.155 . 4.510 3.963 3.554 4.573 0.063 10 0 "[ . 1 . 2]" 1
117 1 11 PRO HD3 1 26 PHE HZ 3.005 . 4.210 2.192 1.945 2.736 . 0 0 "[ . 1 . 2]" 1
118 1 11 PRO HD3 1 30 VAL MG1 3.160 . 4.520 4.276 3.778 4.561 0.041 10 0 "[ . 1 . 2]" 1
119 1 11 PRO HD3 1 30 VAL MG2 2.950 . 4.100 3.267 2.656 3.677 . 0 0 "[ . 1 . 2]" 1
120 1 11 PRO HG2 1 12 LEU MD1 3.205 . 4.610 2.892 1.917 4.121 . 0 0 "[ . 1 . 2]" 1
121 1 11 PRO HG2 1 12 LEU QD 2.810 . 3.820 2.226 1.914 3.059 . 0 0 "[ . 1 . 2]" 1
122 1 11 PRO HG2 1 12 LEU MD2 3.205 . 4.610 2.682 1.971 4.442 . 0 0 "[ . 1 . 2]" 1
123 1 11 PRO HG2 1 12 LEU HG 3.270 . 4.740 3.887 2.154 4.747 0.007 14 0 "[ . 1 . 2]" 1
124 1 11 PRO HG2 1 26 PHE HZ 3.240 . 4.680 4.633 4.015 4.750 0.070 9 0 "[ . 1 . 2]" 1
125 1 11 PRO HG2 1 30 VAL MG1 2.940 . 4.080 2.986 2.277 3.690 . 0 0 "[ . 1 . 2]" 1
126 1 11 PRO HG2 1 30 VAL MG2 3.355 . 4.910 3.554 2.532 4.234 . 0 0 "[ . 1 . 2]" 1
127 1 11 PRO HG3 1 12 LEU QD 3.010 . 4.220 3.514 3.253 4.186 . 0 0 "[ . 1 . 2]" 1
128 1 11 PRO HG3 1 26 PHE HZ 3.245 . 4.690 3.550 2.643 4.010 . 0 0 "[ . 1 . 2]" 1
129 1 11 PRO HG3 1 30 VAL MG1 3.130 . 4.460 3.783 2.975 4.501 0.041 3 0 "[ . 1 . 2]" 1
130 1 12 LEU H 1 12 LEU MD1 3.125 . 4.450 3.027 2.213 3.805 . 0 0 "[ . 1 . 2]" 1
131 1 12 LEU H 1 12 LEU QD 2.815 . 3.830 2.285 1.799 2.929 0.001 14 0 "[ . 1 . 2]" 1
132 1 12 LEU H 1 12 LEU MD2 3.125 . 4.450 2.595 1.830 4.029 . 0 0 "[ . 1 . 2]" 1
133 1 12 LEU H 1 12 LEU HG 3.190 . 4.580 3.366 1.889 4.133 . 0 0 "[ . 1 . 2]" 1
134 1 12 LEU H 1 13 CYS H 2.680 . 3.560 2.352 1.907 2.606 . 0 0 "[ . 1 . 2]" 1
135 1 12 LEU H 1 14 GLU H 3.385 . 4.970 3.528 3.014 4.753 . 0 0 "[ . 1 . 2]" 1
136 1 12 LEU H 1 30 VAL MG1 3.060 . 4.320 4.364 4.342 4.397 0.077 16 0 "[ . 1 . 2]" 1
137 1 12 LEU HA 1 12 LEU QD 2.405 . 3.010 2.337 2.132 2.754 . 0 0 "[ . 1 . 2]" 1
138 1 12 LEU HA 1 12 LEU HG 2.965 . 4.130 3.414 2.479 3.740 . 0 0 "[ . 1 . 2]" 1
139 1 12 LEU HA 1 46 PRO HB3 3.330 . 4.860 4.695 4.052 4.933 0.073 12 0 "[ . 1 . 2]" 1
140 1 12 LEU HB2 1 13 CYS H 2.600 . 3.400 2.784 2.155 3.414 0.014 16 0 "[ . 1 . 2]" 1
141 1 12 LEU HB2 1 33 HIS HD2 3.345 . 4.890 3.877 1.941 5.014 0.124 13 0 "[ . 1 . 2]" 1
142 1 12 LEU HB3 1 46 PRO HA 3.600 . 5.400 5.023 4.440 5.445 0.045 7 0 "[ . 1 . 2]" 1
143 1 12 LEU HB3 1 46 PRO QG 2.875 . 3.950 3.288 1.866 3.982 0.032 20 0 "[ . 1 . 2]" 1
144 1 12 LEU QD 1 13 CYS H 2.985 . 4.170 3.687 3.252 4.218 0.048 10 0 "[ . 1 . 2]" 1
145 1 12 LEU QD 1 30 VAL HA 2.550 . 3.300 2.439 1.956 3.110 . 0 0 "[ . 1 . 2]" 1
146 1 12 LEU QD 1 30 VAL MG1 2.235 . 2.670 1.867 1.791 2.060 0.009 14 0 "[ . 1 . 2]" 1
147 1 12 LEU QD 1 33 HIS H 3.080 . 4.360 3.756 3.526 4.097 . 0 0 "[ . 1 . 2]" 1
148 1 12 LEU QD 1 33 HIS HA 3.140 . 4.480 4.391 4.090 4.601 0.121 13 0 "[ . 1 . 2]" 1
149 1 12 LEU QD 1 33 HIS HB2 2.975 . 4.150 2.128 1.872 2.298 . 0 0 "[ . 1 . 2]" 1
150 1 12 LEU QD 1 33 HIS HB3 2.860 . 3.920 2.661 2.146 3.142 . 0 0 "[ . 1 . 2]" 1
151 1 12 LEU QD 1 33 HIS HD2 2.675 . 3.550 3.060 2.042 3.578 0.028 8 0 "[ . 1 . 2]" 1
152 1 12 LEU QD 1 34 TRP HD1 2.835 . 3.870 2.764 2.071 3.475 . 0 0 "[ . 1 . 2]" 1
153 1 12 LEU QD 1 34 TRP HE1 2.785 . 3.770 2.495 1.819 3.379 . 0 0 "[ . 1 . 2]" 1
154 1 12 LEU QD 1 46 PRO HB2 3.160 . 4.520 3.046 2.055 4.112 . 0 0 "[ . 1 . 2]" 1
155 1 12 LEU QD 1 46 PRO HB3 2.950 . 4.100 2.651 1.864 3.903 . 0 0 "[ . 1 . 2]" 1
156 1 12 LEU QD 1 46 PRO QG 2.610 . 3.420 1.902 1.776 2.152 0.024 15 0 "[ . 1 . 2]" 1
157 1 12 LEU MD1 1 13 CYS H 3.585 . 5.370 4.479 3.994 5.043 . 0 0 "[ . 1 . 2]" 1
158 1 12 LEU MD1 1 30 VAL MG1 2.500 . 3.200 2.554 1.847 3.260 0.060 11 0 "[ . 1 . 2]" 1
159 1 12 LEU MD1 1 34 TRP HE1 3.080 . 4.360 2.896 1.835 4.130 . 0 0 "[ . 1 . 2]" 1
160 1 12 LEU MD1 1 46 PRO HG2 3.740 . 5.680 3.110 1.861 4.705 . 0 0 "[ . 1 . 2]" 1
161 1 12 LEU MD1 1 46 PRO HG3 3.740 . 5.680 2.488 1.862 3.516 . 0 0 "[ . 1 . 2]" 1
162 1 12 LEU MD2 1 13 CYS H 3.585 . 5.370 4.041 3.349 4.967 . 0 0 "[ . 1 . 2]" 1
163 1 12 LEU MD2 1 30 VAL MG1 2.500 . 3.200 2.361 1.800 3.284 0.084 5 0 "[ . 1 . 2]" 1
164 1 12 LEU MD2 1 34 TRP HE1 3.080 . 4.360 3.135 2.133 4.375 0.015 17 0 "[ . 1 . 2]" 1
165 1 12 LEU MD2 1 46 PRO HG2 3.740 . 5.680 3.682 2.414 5.283 . 0 0 "[ . 1 . 2]" 1
166 1 12 LEU MD2 1 46 PRO HG3 3.740 . 5.680 2.883 1.861 3.894 . 0 0 "[ . 1 . 2]" 1
167 1 12 LEU HG 1 13 CYS H 3.435 . 5.070 4.705 3.767 5.190 0.120 2 0 "[ . 1 . 2]" 1
168 1 12 LEU HG 1 30 VAL MG1 3.650 . 5.500 3.531 2.490 4.127 . 0 0 "[ . 1 . 2]" 1
169 1 12 LEU HG 1 46 PRO HB3 3.160 . 4.520 3.426 2.007 4.589 0.069 10 0 "[ . 1 . 2]" 1
170 1 13 CYS H 1 13 CYS HB2 2.850 . 3.900 3.574 2.549 3.930 0.030 17 0 "[ . 1 . 2]" 1
171 1 13 CYS H 1 13 CYS QB 2.585 . 3.370 2.852 2.507 3.167 . 0 0 "[ . 1 . 2]" 1
172 1 13 CYS H 1 13 CYS HB3 2.850 . 3.900 3.182 2.667 3.871 . 0 0 "[ . 1 . 2]" 1
173 1 13 CYS H 1 14 GLU H 2.715 . 3.630 2.069 1.745 2.994 0.055 17 0 "[ . 1 . 2]" 1
174 1 13 CYS H 1 14 GLU HA 3.240 . 4.680 4.109 3.638 4.642 . 0 0 "[ . 1 . 2]" 1
175 1 13 CYS H 1 15 LEU H 3.340 . 4.880 3.821 3.482 4.565 . 0 0 "[ . 1 . 2]" 1
176 1 13 CYS QB 1 14 GLU H 2.695 . 3.590 3.428 1.774 3.740 0.150 18 0 "[ . 1 . 2]" 1
177 1 13 CYS QB 1 14 GLU HA 3.570 . 5.340 5.011 4.053 5.350 0.010 12 0 "[ . 1 . 2]" 1
178 1 13 CYS QB 1 33 HIS HE1 2.645 . 3.490 2.275 1.787 3.624 0.134 19 0 "[ . 1 . 2]" 1
179 1 13 CYS HB2 1 14 GLU H 3.040 . 4.280 3.794 1.802 4.247 . 0 0 "[ . 1 . 2]" 1
180 1 13 CYS HB2 1 33 HIS HE1 2.905 . 4.010 3.371 2.874 4.020 0.010 19 0 "[ . 1 . 2]" 1
181 1 13 CYS HB3 1 14 GLU H 3.040 . 4.280 3.990 2.642 4.398 0.118 13 0 "[ . 1 . 2]" 1
182 1 13 CYS HB3 1 33 HIS HE1 2.905 . 4.010 2.446 1.794 4.146 0.136 8 0 "[ . 1 . 2]" 1
183 1 14 GLU H 1 14 GLU QB 2.750 . 3.700 3.316 2.929 3.471 . 0 0 "[ . 1 . 2]" 1
184 1 14 GLU H 1 14 GLU HG2 3.135 . 4.470 3.263 2.933 3.705 . 0 0 "[ . 1 . 2]" 1
185 1 14 GLU H 1 14 GLU QG 2.840 . 3.880 2.954 2.676 3.424 . 0 0 "[ . 1 . 2]" 1
186 1 14 GLU H 1 14 GLU HG3 3.135 . 4.470 3.772 2.804 4.525 0.055 18 0 "[ . 1 . 2]" 1
187 1 14 GLU H 1 15 LEU H 2.930 . 4.060 2.634 1.750 3.265 0.050 16 0 "[ . 1 . 2]" 1
188 1 14 GLU HA 1 14 GLU QG 2.660 . 3.520 2.651 2.158 3.391 . 0 0 "[ . 1 . 2]" 1
189 1 14 GLU HA 1 15 LEU H 2.630 . 3.460 2.843 2.074 3.416 . 0 0 "[ . 1 . 2]" 1
190 1 15 LEU H 1 15 LEU HB2 2.860 . 3.920 2.542 2.297 3.054 . 0 0 "[ . 1 . 2]" 1
191 1 15 LEU H 1 15 LEU QB 2.610 . 3.420 2.262 2.154 2.498 . 0 0 "[ . 1 . 2]" 1
192 1 15 LEU H 1 15 LEU HB3 2.860 . 3.920 2.597 2.277 3.608 . 0 0 "[ . 1 . 2]" 1
193 1 15 LEU H 1 15 LEU MD1 3.095 . 4.390 4.032 1.946 4.363 . 0 0 "[ . 1 . 2]" 1
194 1 15 LEU H 1 15 LEU MD2 3.095 . 4.390 4.202 3.872 4.431 0.041 3 0 "[ . 1 . 2]" 1
195 1 15 LEU H 1 16 MET H 3.245 . 4.690 4.499 4.225 4.710 0.020 13 0 "[ . 1 . 2]" 1
196 1 15 LEU HA 1 15 LEU MD1 2.835 . 3.870 2.869 2.032 3.792 . 0 0 "[ . 1 . 2]" 1
197 1 15 LEU HA 1 15 LEU QD 2.505 . 3.210 2.571 2.025 3.258 0.048 13 0 "[ . 1 . 2]" 1
198 1 15 LEU HA 1 15 LEU MD2 2.835 . 3.870 3.605 2.966 3.896 0.026 20 0 "[ . 1 . 2]" 1
199 1 15 LEU HA 1 15 LEU HG 2.755 . 3.710 2.809 2.525 3.144 . 0 0 "[ . 1 . 2]" 1
200 1 15 LEU HA 1 16 MET H 2.420 . 3.040 2.170 2.024 2.375 . 0 0 "[ . 1 . 2]" 1
201 1 15 LEU HA 1 16 MET HA 3.110 . 4.420 4.282 4.212 4.339 . 0 0 "[ . 1 . 2]" 1
202 1 15 LEU HA 1 16 MET QB 2.920 . 4.040 3.998 3.810 4.124 0.084 2 0 "[ . 1 . 2]" 1
203 1 15 LEU QB 1 17 PHE QE 2.835 . 3.870 3.473 2.808 4.062 0.192 13 0 "[ . 1 . 2]" 1
204 1 15 LEU HB2 1 15 LEU MD1 2.860 . 3.920 2.245 2.113 2.363 . 0 0 "[ . 1 . 2]" 1
205 1 15 LEU HB2 1 15 LEU MD2 2.860 . 3.920 2.766 2.358 3.207 . 0 0 "[ . 1 . 2]" 1
206 1 15 LEU HB3 1 15 LEU MD1 2.860 . 3.920 2.868 2.415 3.195 . 0 0 "[ . 1 . 2]" 1
207 1 15 LEU HB3 1 15 LEU MD2 2.860 . 3.920 2.247 2.108 2.347 . 0 0 "[ . 1 . 2]" 1
208 1 15 LEU QD 1 16 MET H 2.585 . 3.370 2.661 2.062 3.583 0.213 16 0 "[ . 1 . 2]" 1
209 1 15 LEU QD 1 17 PHE QE 2.860 . 3.920 2.513 2.114 2.863 . 0 0 "[ . 1 . 2]" 1
210 1 15 LEU QD 1 17 PHE HZ 3.055 . 4.310 2.547 2.057 2.988 . 0 0 "[ . 1 . 2]" 1
211 1 15 LEU QD 1 29 HIS HD2 3.390 . 4.980 4.834 4.407 5.338 0.358 13 0 "[ . 1 . 2]" 1
212 1 15 LEU QD 1 29 HIS HE1 2.600 . 3.400 2.118 1.846 3.006 . 0 0 "[ . 1 . 2]" 1
213 1 15 LEU MD1 1 16 MET H 3.040 . 4.280 3.502 2.222 4.384 0.104 19 0 "[ . 1 . 2]" 1
214 1 15 LEU MD1 1 17 PHE QE 3.150 . 4.500 4.251 3.293 4.584 0.084 3 0 "[ . 1 . 2]" 1
215 1 15 LEU MD1 1 17 PHE HZ 3.610 . 5.420 4.465 3.302 5.333 . 0 0 "[ . 1 . 2]" 1
216 1 15 LEU MD1 1 29 HIS HE1 2.840 . 3.880 3.194 1.879 4.015 0.135 9 0 "[ . 1 . 2]" 1
217 1 15 LEU MD2 1 16 MET H 3.040 . 4.280 3.513 2.066 4.381 0.101 1 0 "[ . 1 . 2]" 1
218 1 15 LEU MD2 1 17 PHE QE 3.150 . 4.500 2.539 2.118 2.907 . 0 0 "[ . 1 . 2]" 1
219 1 15 LEU MD2 1 17 PHE HZ 3.610 . 5.420 2.587 2.059 3.052 . 0 0 "[ . 1 . 2]" 1
220 1 15 LEU MD2 1 29 HIS HE1 2.840 . 3.880 2.603 1.873 3.886 0.006 8 0 "[ . 1 . 2]" 1
221 1 15 LEU HG 1 16 MET H 2.815 . 3.830 2.842 2.320 3.505 . 0 0 "[ . 1 . 2]" 1
222 1 16 MET H 1 16 MET QB 2.540 . 3.280 2.318 2.165 2.899 . 0 0 "[ . 1 . 2]" 1
223 1 16 MET H 1 16 MET HG2 3.040 . 4.280 3.921 2.212 4.318 0.038 4 0 "[ . 1 . 2]" 1
224 1 16 MET H 1 16 MET HG3 3.040 . 4.280 3.625 2.412 4.423 0.143 19 0 "[ . 1 . 2]" 1
225 1 16 MET H 1 17 PHE H 3.490 . 5.180 4.440 4.313 4.555 . 0 0 "[ . 1 . 2]" 1
226 1 16 MET HA 1 16 MET HG2 2.990 . 4.180 2.957 2.479 3.828 . 0 0 "[ . 1 . 2]" 1
227 1 16 MET HA 1 16 MET HG3 2.990 . 4.180 2.802 2.354 3.736 . 0 0 "[ . 1 . 2]" 1
228 1 16 MET HA 1 17 PHE H 2.585 . 3.370 2.164 2.058 2.276 . 0 0 "[ . 1 . 2]" 1
229 1 16 MET HA 1 17 PHE QD 3.355 . 4.910 3.913 3.207 4.633 . 0 0 "[ . 1 . 2]" 1
230 1 16 MET QB 1 17 PHE H 2.980 . 4.160 3.344 2.633 3.796 . 0 0 "[ . 1 . 2]" 1
231 1 16 MET ME 1 16 MET HG2 2.840 . 3.880 2.790 2.430 3.425 . 0 0 "[ . 1 . 2]" 1
232 1 16 MET ME 1 16 MET QG 2.495 . 3.190 2.389 2.227 2.506 . 0 0 "[ . 1 . 2]" 1
233 1 16 MET ME 1 16 MET HG3 2.840 . 3.880 2.843 2.484 3.431 . 0 0 "[ . 1 . 2]" 1
234 1 16 MET ME 1 17 PHE H 3.650 . 5.500 4.989 4.457 5.518 0.018 16 0 "[ . 1 . 2]" 1
235 1 16 MET QG 1 17 PHE H 3.015 . 4.230 3.314 2.519 4.191 . 0 0 "[ . 1 . 2]" 1
236 1 17 PHE H 1 17 PHE QB 2.595 . 3.390 2.504 2.392 2.594 . 0 0 "[ . 1 . 2]" 1
237 1 17 PHE H 1 17 PHE QD 2.880 . 3.960 3.003 2.581 3.545 . 0 0 "[ . 1 . 2]" 1
238 1 17 PHE H 1 17 PHE QE 3.650 . 5.500 4.849 4.591 5.149 . 0 0 "[ . 1 . 2]" 1
239 1 17 PHE HA 1 17 PHE QD 2.815 . 3.830 2.721 2.334 2.989 . 0 0 "[ . 1 . 2]" 1
240 1 17 PHE HA 1 18 PRO HD2 2.645 . 3.490 2.594 2.166 3.099 . 0 0 "[ . 1 . 2]" 1
241 1 17 PHE HA 1 18 PRO HD3 2.565 . 3.330 2.247 1.974 2.691 . 0 0 "[ . 1 . 2]" 1
242 1 17 PHE HA 1 21 TYR QD 3.440 . 5.080 4.689 4.028 5.092 0.012 13 0 "[ . 1 . 2]" 1
243 1 17 PHE QB 1 21 TYR QD 2.965 . 4.130 2.915 2.506 3.315 . 0 0 "[ . 1 . 2]" 1
244 1 17 PHE QD 1 21 TYR HB2 3.235 . 4.670 4.210 2.467 4.685 0.015 8 0 "[ . 1 . 2]" 1
245 1 17 PHE QD 1 21 TYR HB3 3.210 . 4.620 4.283 2.578 4.622 0.002 3 0 "[ . 1 . 2]" 1
246 1 17 PHE QE 1 30 VAL MG2 3.160 . 4.520 4.398 4.055 4.689 0.169 13 0 "[ . 1 . 2]" 1
247 1 18 PRO HA 1 19 PRO HA 3.260 . 4.720 4.512 4.404 4.571 . 0 0 "[ . 1 . 2]" 1
248 1 18 PRO HA 1 19 PRO HD2 2.560 . 3.320 2.585 2.155 3.258 . 0 0 "[ . 1 . 2]" 1
249 1 18 PRO HA 1 19 PRO HD3 2.605 . 3.410 2.281 1.942 2.659 . 0 0 "[ . 1 . 2]" 1
250 1 18 PRO HB2 1 19 PRO HD2 3.065 . 4.330 3.004 2.177 3.774 . 0 0 "[ . 1 . 2]" 1
251 1 18 PRO HB2 1 19 PRO HD3 3.230 . 4.660 4.026 2.990 4.671 0.011 3 0 "[ . 1 . 2]" 1
252 1 18 PRO HB2 1 21 TYR H 3.550 . 5.300 3.509 2.855 4.679 . 0 0 "[ . 1 . 2]" 1
253 1 18 PRO HB3 1 19 PRO HD2 3.145 . 4.490 3.017 2.569 3.644 . 0 0 "[ . 1 . 2]" 1
254 1 18 PRO HB3 1 19 PRO HD3 2.965 . 4.130 3.858 3.264 4.156 0.026 18 0 "[ . 1 . 2]" 1
255 1 18 PRO HD2 1 21 TYR QD 3.410 . 5.020 2.913 2.183 3.457 . 0 0 "[ . 1 . 2]" 1
256 1 18 PRO HD3 1 21 TYR QD 3.210 . 4.620 4.303 3.572 4.690 0.070 18 0 "[ . 1 . 2]" 1
257 1 18 PRO QG 1 19 PRO HD2 3.250 . 4.700 4.382 4.010 4.741 0.041 13 0 "[ . 1 . 2]" 1
258 1 18 PRO QG 1 21 TYR HB3 3.440 . 5.080 4.207 3.345 5.105 0.025 13 0 "[ . 1 . 2]" 1
259 1 18 PRO QG 1 21 TYR QD 3.015 . 4.230 3.277 2.135 4.249 0.019 18 0 "[ . 1 . 2]" 1
260 1 19 PRO HA 1 20 ASN HA 3.025 . 4.250 4.370 4.343 4.417 0.167 5 0 "[ . 1 . 2]" 1
261 1 19 PRO QB 1 20 ASN H 2.930 . 4.060 3.165 2.199 3.752 . 0 0 "[ . 1 . 2]" 1
262 1 19 PRO HD2 1 20 ASN H 3.320 . 4.840 3.032 2.478 3.482 . 0 0 "[ . 1 . 2]" 1
263 1 19 PRO HG2 1 20 ASN H 3.160 . 4.520 3.643 2.611 4.538 0.018 6 0 "[ . 1 . 2]" 1
264 1 19 PRO HG3 1 20 ASN H 3.650 . 5.500 4.521 4.099 4.800 . 0 0 "[ . 1 . 2]" 1
265 1 20 ASN H 1 21 TYR H 2.640 . 3.480 2.545 2.223 2.757 . 0 0 "[ . 1 . 2]" 1
266 1 20 ASN HA 1 20 ASN QD 3.155 . 4.510 3.427 2.008 4.317 . 0 0 "[ . 1 . 2]" 1
267 1 20 ASN QB 1 20 ASN QD 2.390 . 2.980 2.181 2.097 2.690 . 0 0 "[ . 1 . 2]" 1
268 1 21 TYR H 1 21 TYR HB2 2.790 . 3.780 2.456 2.214 3.570 . 0 0 "[ . 1 . 2]" 1
269 1 21 TYR H 1 21 TYR HB3 2.625 . 3.450 2.356 2.102 2.620 . 0 0 "[ . 1 . 2]" 1
270 1 21 TYR H 1 21 TYR QD 2.775 . 3.750 3.857 2.367 3.980 0.230 14 0 "[ . 1 . 2]" 1
271 1 21 TYR H 1 22 ASP H 3.010 . 4.220 4.306 4.273 4.405 0.185 18 0 "[ . 1 . 2]" 1
272 1 21 TYR HA 1 21 TYR QD 2.705 . 3.610 2.718 2.424 3.711 0.101 18 0 "[ . 1 . 2]" 1
273 1 21 TYR HA 1 22 ASP H 2.405 . 3.010 2.064 1.922 2.158 . 0 0 "[ . 1 . 2]" 1
274 1 21 TYR HB2 1 22 ASP H 2.675 . 3.550 3.641 2.615 3.758 0.208 16 0 "[ . 1 . 2]" 1
275 1 21 TYR QD 1 22 ASP H 2.795 . 3.790 3.062 2.832 3.295 . 0 0 "[ . 1 . 2]" 1
276 1 21 TYR QD 1 26 PHE H 2.935 . 4.070 3.889 3.440 4.123 0.053 13 0 "[ . 1 . 2]" 1
277 1 21 TYR QD 1 26 PHE HA 2.925 . 4.050 3.888 3.426 4.116 0.066 14 0 "[ . 1 . 2]" 1
278 1 21 TYR QE 1 26 PHE H 3.240 . 4.680 3.085 2.660 4.376 . 0 0 "[ . 1 . 2]" 1
279 1 21 TYR QE 1 26 PHE HA 3.385 . 4.970 2.303 1.900 4.947 . 0 0 "[ . 1 . 2]" 1
280 1 21 TYR QE 1 26 PHE QB 2.840 . 3.880 2.565 2.137 3.327 . 0 0 "[ . 1 . 2]" 1
281 1 22 ASP H 1 22 ASP HB2 2.660 . 3.520 2.466 2.302 2.690 . 0 0 "[ . 1 . 2]" 1
282 1 22 ASP H 1 22 ASP HB3 2.715 . 3.630 3.032 2.517 3.655 0.025 14 0 "[ . 1 . 2]" 1
283 1 22 ASP H 1 23 GLN H 3.005 . 4.210 4.331 4.245 4.411 0.201 20 0 "[ . 1 . 2]" 1
284 1 22 ASP HA 1 23 GLN H 2.315 . 2.830 1.965 1.910 2.041 . 0 0 "[ . 1 . 2]" 1
285 1 22 ASP HA 1 23 GLN HA 3.315 . 4.830 4.279 4.204 4.357 . 0 0 "[ . 1 . 2]" 1
286 1 22 ASP HA 1 23 GLN HB2 2.930 . 4.060 4.087 3.989 4.122 0.062 4 0 "[ . 1 . 2]" 1
287 1 22 ASP HA 1 23 GLN QG 3.570 . 5.340 4.280 3.776 5.391 0.051 9 0 "[ . 1 . 2]" 1
288 1 22 ASP HB2 1 24 SER H 3.235 . 4.670 4.605 4.289 4.772 0.102 6 0 "[ . 1 . 2]" 1
289 1 22 ASP HB2 1 25 LYS H 3.080 . 4.360 3.669 2.937 4.216 . 0 0 "[ . 1 . 2]" 1
290 1 22 ASP HB2 1 25 LYS HB2 2.680 . 3.560 2.843 1.915 3.402 . 0 0 "[ . 1 . 2]" 1
291 1 22 ASP HB2 1 25 LYS HB3 3.085 . 4.370 4.181 3.435 4.504 0.134 19 0 "[ . 1 . 2]" 1
292 1 22 ASP HB2 1 25 LYS QG 3.105 . 4.410 2.988 2.203 4.457 0.047 20 0 "[ . 1 . 2]" 1
293 1 22 ASP HB3 1 23 GLN H 2.730 . 3.660 3.630 3.389 3.738 0.078 15 0 "[ . 1 . 2]" 1
294 1 22 ASP HB3 1 24 SER H 3.045 . 4.290 3.406 2.829 3.928 . 0 0 "[ . 1 . 2]" 1
295 1 22 ASP HB3 1 25 LYS H 2.900 . 4.000 2.424 2.136 2.823 . 0 0 "[ . 1 . 2]" 1
296 1 22 ASP HB3 1 25 LYS HB2 2.690 . 3.580 2.242 1.779 3.055 0.021 6 0 "[ . 1 . 2]" 1
297 1 22 ASP HB3 1 25 LYS HB3 3.145 . 4.490 3.772 2.956 4.544 0.054 8 0 "[ . 1 . 2]" 1
298 1 22 ASP HB3 1 25 LYS HG2 3.160 . 4.520 3.002 2.035 4.412 . 0 0 "[ . 1 . 2]" 1
299 1 22 ASP HB3 1 25 LYS HG3 3.160 . 4.520 3.253 1.964 4.591 0.071 6 0 "[ . 1 . 2]" 1
300 1 23 GLN H 1 23 GLN HB2 2.545 . 3.290 2.199 2.054 2.269 . 0 0 "[ . 1 . 2]" 1
301 1 23 GLN H 1 23 GLN HB3 2.630 . 3.460 3.382 2.301 3.528 0.068 4 0 "[ . 1 . 2]" 1
302 1 23 GLN H 1 23 GLN QE 3.570 . 5.340 4.616 2.798 5.455 0.115 20 0 "[ . 1 . 2]" 1
303 1 23 GLN H 1 23 GLN QG 2.675 . 3.550 2.775 2.208 3.694 0.144 20 0 "[ . 1 . 2]" 1
304 1 23 GLN H 1 24 SER H 2.530 . 3.260 2.705 2.576 2.846 . 0 0 "[ . 1 . 2]" 1
305 1 23 GLN H 1 25 LYS H 3.175 . 4.550 4.129 3.935 4.368 . 0 0 "[ . 1 . 2]" 1
306 1 23 GLN H 1 25 LYS HB2 3.650 . 5.500 5.126 4.901 5.310 . 0 0 "[ . 1 . 2]" 1
307 1 23 GLN HA 1 23 GLN QG 2.510 . 3.220 2.512 2.165 2.924 . 0 0 "[ . 1 . 2]" 1
308 1 23 GLN HA 1 26 PHE H 2.815 . 3.830 3.369 2.842 3.666 . 0 0 "[ . 1 . 2]" 1
309 1 23 GLN HA 1 26 PHE HB2 2.750 . 3.700 3.056 2.562 3.597 . 0 0 "[ . 1 . 2]" 1
310 1 23 GLN HA 1 26 PHE QB 2.495 . 3.190 2.343 1.948 2.790 . 0 0 "[ . 1 . 2]" 1
311 1 23 GLN HA 1 26 PHE HB3 2.750 . 3.700 2.447 2.020 2.920 . 0 0 "[ . 1 . 2]" 1
312 1 23 GLN HA 1 26 PHE QD 3.050 . 4.300 3.667 2.991 4.306 0.006 14 0 "[ . 1 . 2]" 1
313 1 23 GLN HA 1 27 GLU H 3.350 . 4.900 4.187 3.839 4.573 . 0 0 "[ . 1 . 2]" 1
314 1 23 GLN HB2 1 24 SER H 2.850 . 3.900 2.879 2.552 3.748 . 0 0 "[ . 1 . 2]" 1
315 1 23 GLN HB2 1 25 LYS H 3.550 . 5.300 5.045 4.716 5.409 0.109 20 0 "[ . 1 . 2]" 1
316 1 23 GLN HB3 1 24 SER H 2.605 . 3.410 3.301 2.482 3.486 0.076 12 0 "[ . 1 . 2]" 1
317 1 23 GLN HB3 1 24 SER HA 2.910 . 4.020 4.010 3.781 4.095 0.075 17 0 "[ . 1 . 2]" 1
318 1 23 GLN QE 1 26 PHE QD 3.175 . 4.550 4.127 2.869 4.607 0.057 17 0 "[ . 1 . 2]" 1
319 1 23 GLN QG 1 24 SER H 3.095 . 4.390 4.244 3.613 4.480 0.090 6 0 "[ . 1 . 2]" 1
320 1 23 GLN HG2 1 24 SER H 3.455 . 5.110 4.704 3.745 5.114 0.004 13 0 "[ . 1 . 2]" 1
321 1 23 GLN HG3 1 24 SER H 3.455 . 5.110 4.914 4.430 5.116 0.006 7 0 "[ . 1 . 2]" 1
322 1 24 SER H 1 24 SER HB2 2.735 . 3.670 2.737 2.431 3.673 0.003 16 0 "[ . 1 . 2]" 1
323 1 24 SER H 1 24 SER QB 2.430 . 3.060 2.475 2.212 2.826 . 0 0 "[ . 1 . 2]" 1
324 1 24 SER H 1 24 SER HB3 2.735 . 3.670 3.249 2.428 3.628 . 0 0 "[ . 1 . 2]" 1
325 1 24 SER H 1 25 LYS H 2.485 . 3.170 2.463 2.313 2.616 . 0 0 "[ . 1 . 2]" 1
326 1 24 SER H 1 25 LYS HB2 3.175 . 4.550 4.500 4.070 4.603 0.053 3 0 "[ . 1 . 2]" 1
327 1 24 SER HA 1 26 PHE H 3.355 . 4.910 4.051 3.718 4.392 . 0 0 "[ . 1 . 2]" 1
328 1 24 SER HA 1 27 GLU H 3.120 . 4.440 3.310 2.781 3.612 . 0 0 "[ . 1 . 2]" 1
329 1 24 SER HA 1 27 GLU HB2 3.080 . 4.360 2.878 2.346 3.326 . 0 0 "[ . 1 . 2]" 1
330 1 24 SER HA 1 27 GLU QG 3.465 . 5.130 3.160 2.119 3.866 . 0 0 "[ . 1 . 2]" 1
331 1 24 SER HA 1 28 GLU H 3.395 . 4.990 4.198 3.788 4.616 . 0 0 "[ . 1 . 2]" 1
332 1 24 SER HA 1 28 GLU HG2 3.650 . 5.500 4.772 4.132 5.415 . 0 0 "[ . 1 . 2]" 1
333 1 24 SER QB 1 25 LYS H 2.905 . 4.010 2.777 2.318 3.558 . 0 0 "[ . 1 . 2]" 1
334 1 24 SER HB2 1 25 LYS H 3.185 . 4.570 3.052 2.457 4.057 . 0 0 "[ . 1 . 2]" 1
335 1 24 SER HB3 1 25 LYS H 3.185 . 4.570 3.674 2.342 4.161 . 0 0 "[ . 1 . 2]" 1
336 1 25 LYS H 1 25 LYS HB2 2.705 . 3.610 2.348 2.016 2.533 . 0 0 "[ . 1 . 2]" 1
337 1 25 LYS H 1 25 LYS HB3 2.760 . 3.720 3.545 2.848 3.658 . 0 0 "[ . 1 . 2]" 1
338 1 25 LYS H 1 25 LYS HD2 3.650 . 5.500 4.093 2.709 5.094 . 0 0 "[ . 1 . 2]" 1
339 1 25 LYS H 1 25 LYS HD3 3.650 . 5.500 4.075 2.575 4.889 . 0 0 "[ . 1 . 2]" 1
340 1 25 LYS H 1 25 LYS HG2 3.050 . 4.300 2.947 2.162 4.181 . 0 0 "[ . 1 . 2]" 1
341 1 25 LYS H 1 25 LYS HG3 3.050 . 4.300 3.535 2.137 4.388 0.088 20 0 "[ . 1 . 2]" 1
342 1 25 LYS H 1 26 PHE H 2.545 . 3.290 2.483 2.222 2.755 . 0 0 "[ . 1 . 2]" 1
343 1 25 LYS H 1 26 PHE QB 3.335 . 4.870 4.137 3.848 4.417 . 0 0 "[ . 1 . 2]" 1
344 1 25 LYS HA 1 25 LYS HD2 3.125 . 4.450 3.210 2.011 4.510 0.060 1 0 "[ . 1 . 2]" 1
345 1 25 LYS HA 1 25 LYS QD 2.800 . 3.800 2.597 1.878 3.930 0.130 18 0 "[ . 1 . 2]" 1
346 1 25 LYS HA 1 25 LYS HD3 3.125 . 4.450 3.165 1.896 4.342 . 0 0 "[ . 1 . 2]" 1
347 1 25 LYS HA 1 25 LYS QE 3.490 . 5.180 3.751 1.842 4.803 . 0 0 "[ . 1 . 2]" 1
348 1 25 LYS HA 1 25 LYS QG 2.750 . 3.700 2.701 2.140 3.073 . 0 0 "[ . 1 . 2]" 1
349 1 25 LYS HA 1 28 GLU QB 2.670 . 3.540 2.756 2.221 3.584 0.044 1 0 "[ . 1 . 2]" 1
350 1 25 LYS HA 1 28 GLU HG2 2.965 . 4.130 3.011 1.848 4.231 0.101 10 0 "[ . 1 . 2]" 1
351 1 25 LYS HA 1 28 GLU HG3 2.720 . 3.640 2.813 2.047 3.644 0.004 11 0 "[ . 1 . 2]" 1
352 1 25 LYS HB2 1 26 PHE H 3.035 . 4.270 2.938 2.630 3.562 . 0 0 "[ . 1 . 2]" 1
353 1 25 LYS HB3 1 26 PHE H 2.990 . 4.180 3.732 3.045 4.069 . 0 0 "[ . 1 . 2]" 1
354 1 25 LYS HB3 1 26 PHE HA 3.455 . 5.110 4.579 4.216 4.848 . 0 0 "[ . 1 . 2]" 1
355 1 26 PHE H 1 26 PHE HB2 2.660 . 3.520 2.622 2.454 2.776 . 0 0 "[ . 1 . 2]" 1
356 1 26 PHE H 1 26 PHE HB3 2.660 . 3.520 2.339 2.192 2.498 . 0 0 "[ . 1 . 2]" 1
357 1 26 PHE H 1 26 PHE QD 3.030 . 4.260 4.131 4.023 4.198 . 0 0 "[ . 1 . 2]" 1
358 1 26 PHE H 1 27 GLU H 2.545 . 3.290 2.574 2.309 2.800 . 0 0 "[ . 1 . 2]" 1
359 1 26 PHE H 1 28 GLU H 2.875 . 3.950 3.877 3.690 3.974 0.024 8 0 "[ . 1 . 2]" 1
360 1 26 PHE H 1 29 HIS H 3.220 . 4.640 4.687 4.591 4.747 0.107 2 0 "[ . 1 . 2]" 1
361 1 26 PHE HA 1 26 PHE QD 2.700 . 3.600 2.665 2.297 2.928 . 0 0 "[ . 1 . 2]" 1
362 1 26 PHE HA 1 29 HIS H 2.800 . 3.800 3.508 3.270 3.705 . 0 0 "[ . 1 . 2]" 1
363 1 26 PHE HA 1 29 HIS HB2 2.945 . 4.090 4.016 3.740 4.109 0.019 20 0 "[ . 1 . 2]" 1
364 1 26 PHE HA 1 29 HIS HB3 2.945 . 4.090 2.961 2.422 3.451 . 0 0 "[ . 1 . 2]" 1
365 1 26 PHE HA 1 30 VAL H 3.245 . 4.690 4.308 4.169 4.420 . 0 0 "[ . 1 . 2]" 1
366 1 26 PHE HB2 1 27 GLU H 2.785 . 3.770 3.797 3.686 3.850 0.080 15 0 "[ . 1 . 2]" 1
367 1 26 PHE HB3 1 27 GLU H 2.785 . 3.770 2.430 2.306 2.627 . 0 0 "[ . 1 . 2]" 1
368 1 26 PHE QD 1 27 GLU H 3.085 . 4.370 3.322 2.902 3.899 . 0 0 "[ . 1 . 2]" 1
369 1 26 PHE QD 1 27 GLU HA 3.115 . 4.430 3.701 3.334 4.388 . 0 0 "[ . 1 . 2]" 1
370 1 26 PHE QE 1 30 VAL MG1 3.235 . 4.670 4.459 4.100 4.680 0.010 6 0 "[ . 1 . 2]" 1
371 1 26 PHE QE 1 30 VAL MG2 2.670 . 3.540 2.926 2.710 3.096 . 0 0 "[ . 1 . 2]" 1
372 1 26 PHE HZ 1 30 VAL MG2 2.845 . 3.890 3.317 3.038 3.762 . 0 0 "[ . 1 . 2]" 1
373 1 27 GLU H 1 27 GLU HB2 2.510 . 3.220 2.486 2.399 2.568 . 0 0 "[ . 1 . 2]" 1
374 1 27 GLU H 1 27 GLU HB3 2.700 . 3.600 3.592 3.559 3.609 0.009 12 0 "[ . 1 . 2]" 1
375 1 27 GLU H 1 27 GLU HG2 2.755 . 3.710 3.222 2.130 3.576 . 0 0 "[ . 1 . 2]" 1
376 1 27 GLU H 1 27 GLU HG3 2.755 . 3.710 2.462 2.044 3.705 . 0 0 "[ . 1 . 2]" 1
377 1 27 GLU H 1 28 GLU H 2.555 . 3.310 2.605 2.338 2.779 . 0 0 "[ . 1 . 2]" 1
378 1 27 GLU H 1 28 GLU HG2 3.300 . 4.800 4.608 4.161 4.933 0.133 17 0 "[ . 1 . 2]" 1
379 1 27 GLU H 1 29 HIS H 3.015 . 4.230 3.917 3.771 4.044 . 0 0 "[ . 1 . 2]" 1
380 1 27 GLU H 1 30 VAL H 3.105 . 4.410 4.501 4.448 4.561 0.151 13 0 "[ . 1 . 2]" 1
381 1 27 GLU HA 1 27 GLU HG2 2.815 . 3.830 2.598 2.417 3.160 . 0 0 "[ . 1 . 2]" 1
382 1 27 GLU HA 1 27 GLU QG 2.550 . 3.300 2.485 2.314 3.013 . 0 0 "[ . 1 . 2]" 1
383 1 27 GLU HA 1 27 GLU HG3 2.815 . 3.830 3.176 2.880 3.801 . 0 0 "[ . 1 . 2]" 1
384 1 27 GLU HA 1 29 HIS H 3.095 . 4.390 3.888 3.760 4.221 . 0 0 "[ . 1 . 2]" 1
385 1 27 GLU HA 1 30 VAL H 2.870 . 3.940 2.936 2.750 3.257 . 0 0 "[ . 1 . 2]" 1
386 1 27 GLU HA 1 30 VAL HB 2.725 . 3.650 2.421 2.012 2.678 . 0 0 "[ . 1 . 2]" 1
387 1 27 GLU HA 1 30 VAL MG1 2.985 . 4.170 3.910 3.594 4.138 . 0 0 "[ . 1 . 2]" 1
388 1 27 GLU HA 1 30 VAL MG2 2.780 . 3.760 2.529 2.121 3.010 . 0 0 "[ . 1 . 2]" 1
389 1 27 GLU HA 1 31 GLU H 3.030 . 4.260 3.637 3.270 3.875 . 0 0 "[ . 1 . 2]" 1
390 1 27 GLU HA 1 31 GLU QG 3.355 . 4.910 4.037 3.299 4.947 0.037 3 0 "[ . 1 . 2]" 1
391 1 27 GLU HB2 1 28 GLU H 2.650 . 3.500 2.763 2.577 3.043 . 0 0 "[ . 1 . 2]" 1
392 1 27 GLU HB3 1 30 VAL H 3.625 . 5.450 4.945 4.783 5.219 . 0 0 "[ . 1 . 2]" 1
393 1 27 GLU HB3 1 31 GLU H 3.355 . 4.910 4.398 4.037 4.762 . 0 0 "[ . 1 . 2]" 1
394 1 27 GLU QG 1 30 VAL MG2 3.310 . 4.820 3.744 3.113 4.769 . 0 0 "[ . 1 . 2]" 1
395 1 28 GLU H 1 28 GLU HB2 2.790 . 3.780 2.799 2.340 3.688 . 0 0 "[ . 1 . 2]" 1
396 1 28 GLU H 1 28 GLU QB 2.450 . 3.100 2.533 2.311 2.639 . 0 0 "[ . 1 . 2]" 1
397 1 28 GLU H 1 28 GLU HB3 2.790 . 3.780 3.431 2.586 3.683 . 0 0 "[ . 1 . 2]" 1
398 1 28 GLU H 1 28 GLU HG2 2.695 . 3.590 2.496 2.117 2.956 . 0 0 "[ . 1 . 2]" 1
399 1 28 GLU H 1 28 GLU HG3 3.025 . 4.250 3.191 2.044 3.843 . 0 0 "[ . 1 . 2]" 1
400 1 28 GLU H 1 29 HIS H 2.515 . 3.230 2.553 2.375 2.654 . 0 0 "[ . 1 . 2]" 1
401 1 28 GLU H 1 30 VAL H 2.915 . 4.030 4.018 3.866 4.072 0.042 2 0 "[ . 1 . 2]" 1
402 1 28 GLU HA 1 28 GLU HG2 2.815 . 3.830 3.094 2.532 3.783 . 0 0 "[ . 1 . 2]" 1
403 1 28 GLU HA 1 28 GLU HG3 2.950 . 4.100 3.672 3.308 3.923 . 0 0 "[ . 1 . 2]" 1
404 1 28 GLU HA 1 29 HIS HA 2.890 . 3.980 4.227 4.187 4.264 0.284 14 0 "[ . 1 . 2]" 1
405 1 28 GLU HA 1 30 VAL H 3.630 . 5.460 4.357 4.200 4.616 . 0 0 "[ . 1 . 2]" 1
406 1 28 GLU HA 1 31 GLU H 2.970 . 4.140 3.484 3.017 4.010 . 0 0 "[ . 1 . 2]" 1
407 1 28 GLU HA 1 31 GLU QB 2.675 . 3.550 3.077 2.225 3.725 0.175 14 0 "[ . 1 . 2]" 1
408 1 28 GLU HA 1 31 GLU QG 2.970 . 4.140 3.138 1.771 4.165 0.029 10 0 "[ . 1 . 2]" 1
409 1 28 GLU QB 1 29 HIS H 2.715 . 3.630 2.974 2.542 3.648 0.018 20 0 "[ . 1 . 2]" 1
410 1 28 GLU QB 1 29 HIS HA 3.510 . 5.220 3.860 3.576 4.283 . 0 0 "[ . 1 . 2]" 1
411 1 28 GLU QB 1 30 VAL H 3.570 . 5.340 4.886 4.658 5.263 . 0 0 "[ . 1 . 2]" 1
412 1 28 GLU HB2 1 29 HIS H 2.975 . 4.150 3.124 2.599 4.081 . 0 0 "[ . 1 . 2]" 1
413 1 28 GLU HB3 1 29 HIS H 2.975 . 4.150 3.895 3.589 4.108 . 0 0 "[ . 1 . 2]" 1
414 1 29 HIS H 1 29 HIS HB2 2.585 . 3.370 2.843 2.698 3.040 . 0 0 "[ . 1 . 2]" 1
415 1 29 HIS H 1 29 HIS HB3 2.585 . 3.370 2.403 2.127 2.582 . 0 0 "[ . 1 . 2]" 1
416 1 29 HIS H 1 30 VAL H 2.550 . 3.300 2.395 2.279 2.540 . 0 0 "[ . 1 . 2]" 1
417 1 29 HIS H 1 30 VAL HB 3.355 . 4.910 4.719 4.513 4.924 0.014 5 0 "[ . 1 . 2]" 1
418 1 29 HIS H 1 30 VAL MG2 2.955 . 4.110 3.806 3.679 4.082 . 0 0 "[ . 1 . 2]" 1
419 1 29 HIS H 1 31 GLU H 3.020 . 4.240 4.010 3.858 4.111 . 0 0 "[ . 1 . 2]" 1
420 1 29 HIS H 1 32 SER H 3.195 . 4.590 4.582 4.466 4.704 0.114 2 0 "[ . 1 . 2]" 1
421 1 29 HIS HA 1 30 VAL HA 3.325 . 4.850 4.858 4.795 4.910 0.060 12 0 "[ . 1 . 2]" 1
422 1 29 HIS HA 1 30 VAL MG2 3.535 . 5.270 4.974 4.827 5.064 . 0 0 "[ . 1 . 2]" 1
423 1 29 HIS HA 1 32 SER H 2.970 . 4.140 3.273 2.987 3.582 . 0 0 "[ . 1 . 2]" 1
424 1 29 HIS HA 1 32 SER HB2 3.200 . 4.600 2.703 2.440 2.905 . 0 0 "[ . 1 . 2]" 1
425 1 29 HIS HA 1 32 SER QB 2.790 . 3.780 2.540 2.218 2.868 . 0 0 "[ . 1 . 2]" 1
426 1 29 HIS HA 1 32 SER HB3 3.200 . 4.600 3.537 2.477 4.574 . 0 0 "[ . 1 . 2]" 1
427 1 29 HIS QB 1 30 VAL H 2.640 . 3.480 2.808 2.608 2.917 . 0 0 "[ . 1 . 2]" 1
428 1 29 HIS HB2 1 30 VAL H 2.985 . 4.170 4.091 3.935 4.178 0.008 3 0 "[ . 1 . 2]" 1
429 1 29 HIS HB3 1 30 VAL H 2.985 . 4.170 2.861 2.647 2.977 . 0 0 "[ . 1 . 2]" 1
430 1 29 HIS HD2 1 30 VAL H 3.270 . 4.740 3.836 2.688 4.604 . 0 0 "[ . 1 . 2]" 1
431 1 29 HIS HD2 1 30 VAL HA 3.000 . 4.200 3.487 2.599 4.291 0.091 14 0 "[ . 1 . 2]" 1
432 1 29 HIS HD2 1 33 HIS H 3.415 . 5.030 4.675 3.382 5.194 0.164 18 0 "[ . 1 . 2]" 1
433 1 29 HIS HD2 1 33 HIS HD2 2.700 . 3.600 3.001 2.190 3.615 0.015 20 0 "[ . 1 . 2]" 1
434 1 30 VAL H 1 30 VAL HB 2.595 . 3.390 2.642 2.552 2.810 . 0 0 "[ . 1 . 2]" 1
435 1 30 VAL H 1 30 VAL MG1 2.865 . 3.930 3.816 3.770 3.875 . 0 0 "[ . 1 . 2]" 1
436 1 30 VAL H 1 30 VAL MG2 2.470 . 3.140 2.048 1.969 2.160 . 0 0 "[ . 1 . 2]" 1
437 1 30 VAL H 1 31 GLU H 2.535 . 3.270 2.728 2.620 2.815 . 0 0 "[ . 1 . 2]" 1
438 1 30 VAL H 1 31 GLU QB 3.310 . 4.820 4.773 4.626 4.854 0.034 10 0 "[ . 1 . 2]" 1
439 1 30 VAL H 1 31 GLU QG 3.570 . 5.340 4.310 3.948 4.496 . 0 0 "[ . 1 . 2]" 1
440 1 30 VAL H 1 32 SER H 3.085 . 4.370 3.855 3.696 3.955 . 0 0 "[ . 1 . 2]" 1
441 1 30 VAL H 1 33 HIS H 3.440 . 5.080 4.944 4.587 5.105 0.025 11 0 "[ . 1 . 2]" 1
442 1 30 VAL HA 1 30 VAL MG1 2.635 . 3.470 2.393 2.339 2.478 . 0 0 "[ . 1 . 2]" 1
443 1 30 VAL HA 1 30 VAL MG2 2.560 . 3.320 2.480 2.414 2.538 . 0 0 "[ . 1 . 2]" 1
444 1 30 VAL HA 1 32 SER H 3.245 . 4.690 3.876 3.727 4.021 . 0 0 "[ . 1 . 2]" 1
445 1 30 VAL HA 1 33 HIS H 3.150 . 4.500 3.382 3.028 3.545 . 0 0 "[ . 1 . 2]" 1
446 1 30 VAL HA 1 33 HIS HB2 3.115 . 4.430 3.076 2.310 3.338 . 0 0 "[ . 1 . 2]" 1
447 1 30 VAL HA 1 33 HIS HD2 2.610 . 3.420 2.889 1.826 3.431 0.011 14 0 "[ . 1 . 2]" 1
448 1 30 VAL HA 1 34 TRP HD1 3.070 . 4.340 4.487 4.369 4.550 0.210 9 0 "[ . 1 . 2]" 1
449 1 30 VAL HB 1 31 GLU H 2.595 . 3.390 2.591 2.431 2.825 . 0 0 "[ . 1 . 2]" 1
450 1 30 VAL HB 1 34 TRP HE1 3.420 . 5.040 4.779 4.310 5.092 0.052 5 0 "[ . 1 . 2]" 1
451 1 30 VAL MG1 1 31 GLU H 2.960 . 4.120 3.506 3.287 3.746 . 0 0 "[ . 1 . 2]" 1
452 1 30 VAL MG1 1 31 GLU HA 2.865 . 3.930 3.584 3.296 3.859 . 0 0 "[ . 1 . 2]" 1
453 1 30 VAL MG1 1 34 TRP HD1 3.230 . 4.660 3.433 2.983 3.683 . 0 0 "[ . 1 . 2]" 1
454 1 30 VAL MG1 1 34 TRP HE1 2.835 . 3.870 2.266 1.883 2.664 . 0 0 "[ . 1 . 2]" 1
455 1 30 VAL MG2 1 31 GLU H 3.025 . 4.250 3.781 3.697 3.916 . 0 0 "[ . 1 . 2]" 1
456 1 30 VAL MG2 1 33 HIS HD2 3.650 . 5.500 4.402 2.697 5.030 . 0 0 "[ . 1 . 2]" 1
457 1 31 GLU H 1 31 GLU QB 2.410 . 3.020 2.439 2.341 2.541 . 0 0 "[ . 1 . 2]" 1
458 1 31 GLU H 1 31 GLU HG2 2.715 . 3.630 2.778 2.056 3.634 0.004 6 0 "[ . 1 . 2]" 1
459 1 31 GLU H 1 31 GLU HG3 2.715 . 3.630 2.942 2.209 3.632 0.002 2 0 "[ . 1 . 2]" 1
460 1 31 GLU H 1 32 SER H 2.560 . 3.320 2.620 2.550 2.680 . 0 0 "[ . 1 . 2]" 1
461 1 31 GLU H 1 33 HIS H 3.060 . 4.320 4.154 3.964 4.327 0.007 15 0 "[ . 1 . 2]" 1
462 1 31 GLU HA 1 31 GLU HG2 2.935 . 4.070 3.040 2.464 3.840 . 0 0 "[ . 1 . 2]" 1
463 1 31 GLU HA 1 31 GLU QG 2.615 . 3.430 2.821 2.350 3.347 . 0 0 "[ . 1 . 2]" 1
464 1 31 GLU HA 1 31 GLU HG3 2.935 . 4.070 3.446 2.823 3.875 . 0 0 "[ . 1 . 2]" 1
465 1 31 GLU HA 1 33 HIS H 3.130 . 4.460 3.915 3.565 4.235 . 0 0 "[ . 1 . 2]" 1
466 1 31 GLU HA 1 34 TRP H 3.275 . 4.750 3.048 2.784 3.573 . 0 0 "[ . 1 . 2]" 1
467 1 31 GLU HA 1 34 TRP HB2 3.120 . 4.440 2.503 2.129 3.162 . 0 0 "[ . 1 . 2]" 1
468 1 31 GLU HA 1 34 TRP HD1 2.875 . 3.950 3.774 3.271 3.999 0.049 13 0 "[ . 1 . 2]" 1
469 1 31 GLU HA 1 34 TRP HE1 3.055 . 4.310 4.229 3.778 4.366 0.056 1 0 "[ . 1 . 2]" 1
470 1 31 GLU HA 1 34 TRP HE3 3.300 . 4.800 3.549 2.964 4.835 0.035 17 0 "[ . 1 . 2]" 1
471 1 31 GLU HB2 1 32 SER H 3.185 . 4.570 3.498 2.824 4.334 . 0 0 "[ . 1 . 2]" 1
472 1 31 GLU HB3 1 32 SER H 3.185 . 4.570 4.072 3.831 4.230 . 0 0 "[ . 1 . 2]" 1
473 1 31 GLU QG 1 32 SER H 3.060 . 4.320 3.782 2.584 4.343 0.023 1 0 "[ . 1 . 2]" 1
474 1 32 SER H 1 32 SER HB2 2.765 . 3.730 2.524 2.403 2.695 . 0 0 "[ . 1 . 2]" 1
475 1 32 SER H 1 32 SER QB 2.505 . 3.210 2.365 2.246 2.483 . 0 0 "[ . 1 . 2]" 1
476 1 32 SER H 1 32 SER HB3 2.765 . 3.730 3.142 2.456 3.680 . 0 0 "[ . 1 . 2]" 1
477 1 32 SER H 1 33 HIS H 2.595 . 3.390 2.391 2.179 2.532 . 0 0 "[ . 1 . 2]" 1
478 1 32 SER H 1 34 TRP H 3.010 . 4.220 3.916 3.697 4.259 0.039 2 0 "[ . 1 . 2]" 1
479 1 32 SER HA 1 34 TRP H 3.125 . 4.450 4.091 3.788 4.416 . 0 0 "[ . 1 . 2]" 1
480 1 33 HIS H 1 33 HIS HB2 2.655 . 3.510 2.297 2.193 2.406 . 0 0 "[ . 1 . 2]" 1
481 1 33 HIS H 1 33 HIS HB3 2.715 . 3.630 3.558 3.472 3.618 . 0 0 "[ . 1 . 2]" 1
482 1 33 HIS H 1 33 HIS HD2 2.985 . 4.170 2.859 2.217 4.179 0.009 2 0 "[ . 1 . 2]" 1
483 1 33 HIS H 1 34 TRP H 2.515 . 3.230 2.545 2.233 2.778 . 0 0 "[ . 1 . 2]" 1
484 1 33 HIS H 1 34 TRP HA 3.595 . 5.390 5.066 4.849 5.270 . 0 0 "[ . 1 . 2]" 1
485 1 33 HIS H 1 34 TRP HB2 3.435 . 5.070 4.226 3.949 4.548 . 0 0 "[ . 1 . 2]" 1
486 1 33 HIS HA 1 33 HIS HD2 3.200 . 4.600 3.874 3.385 4.648 0.048 10 0 "[ . 1 . 2]" 1
487 1 33 HIS HA 1 35 LYS H 3.650 . 5.500 5.478 4.915 5.572 0.072 14 0 "[ . 1 . 2]" 1
488 1 33 HIS HB2 1 34 TRP H 2.815 . 3.830 2.952 2.737 3.214 . 0 0 "[ . 1 . 2]" 1
489 1 33 HIS HB2 1 34 TRP HD1 3.435 . 5.070 2.803 2.115 3.152 . 0 0 "[ . 1 . 2]" 1
490 1 33 HIS HB3 1 34 TRP H 2.715 . 3.630 3.651 3.292 3.758 0.128 7 0 "[ . 1 . 2]" 1
491 1 33 HIS HB3 1 34 TRP HD1 3.205 . 4.610 3.350 2.858 3.906 . 0 0 "[ . 1 . 2]" 1
492 1 33 HIS HB3 1 46 PRO HA 3.190 . 4.580 4.038 2.710 4.634 0.054 4 0 "[ . 1 . 2]" 1
493 1 34 TRP H 1 34 TRP HB2 2.565 . 3.330 2.048 1.908 2.181 . 0 0 "[ . 1 . 2]" 1
494 1 34 TRP H 1 34 TRP HD1 2.630 . 3.460 2.322 1.986 2.565 . 0 0 "[ . 1 . 2]" 1
495 1 34 TRP H 1 34 TRP HE1 3.220 . 4.640 4.412 4.288 4.515 . 0 0 "[ . 1 . 2]" 1
496 1 34 TRP H 1 34 TRP HE3 2.950 . 4.100 4.470 4.338 5.101 1.001 17 1 "[ . 1 . + 2]" 1
497 1 34 TRP H 1 35 LYS H 3.010 . 4.220 4.262 4.183 4.301 0.081 3 0 "[ . 1 . 2]" 1
498 1 34 TRP H 1 46 PRO HD3 3.215 . 4.630 4.511 4.024 4.685 0.055 16 0 "[ . 1 . 2]" 1
499 1 34 TRP HA 1 34 TRP HD1 2.745 . 3.690 2.860 2.617 3.150 . 0 0 "[ . 1 . 2]" 1
500 1 34 TRP HA 1 34 TRP HE3 3.200 . 4.600 4.440 3.977 4.657 0.057 16 0 "[ . 1 . 2]" 1
501 1 34 TRP HA 1 35 LYS H 2.445 . 3.090 2.029 1.917 2.127 . 0 0 "[ . 1 . 2]" 1
502 1 34 TRP HA 1 44 PHE H 3.140 . 4.480 4.236 3.985 4.426 . 0 0 "[ . 1 . 2]" 1
503 1 34 TRP HA 1 44 PHE HB3 3.650 . 5.500 5.558 5.513 5.601 0.101 17 0 "[ . 1 . 2]" 1
504 1 34 TRP HA 1 45 PRO HA 3.185 . 4.570 3.407 2.682 3.719 . 0 0 "[ . 1 . 2]" 1
505 1 34 TRP HA 1 46 PRO HD2 3.650 . 5.500 4.723 4.281 4.989 . 0 0 "[ . 1 . 2]" 1
506 1 34 TRP HB2 1 34 TRP HZ3 3.650 . 5.500 5.068 4.820 5.557 0.057 17 0 "[ . 1 . 2]" 1
507 1 34 TRP HB3 1 34 TRP HE1 3.365 . 4.930 5.054 5.023 5.101 0.171 5 0 "[ . 1 . 2]" 1
508 1 34 TRP HB3 1 34 TRP HZ3 3.650 . 5.500 4.661 4.445 4.870 . 0 0 "[ . 1 . 2]" 1
509 1 34 TRP HB3 1 35 LYS H 2.770 . 3.740 3.384 3.229 3.731 . 0 0 "[ . 1 . 2]" 1
510 1 34 TRP HB3 1 43 GLN HB3 2.965 . 4.130 2.031 1.902 2.159 . 0 0 "[ . 1 . 2]" 1
511 1 34 TRP HB3 1 44 PHE H 3.085 . 4.370 3.631 3.234 3.847 . 0 0 "[ . 1 . 2]" 1
512 1 34 TRP HD1 1 35 LYS H 3.410 . 5.020 4.868 4.608 5.060 0.040 5 0 "[ . 1 . 2]" 1
513 1 34 TRP HD1 1 46 PRO HB3 3.480 . 5.160 4.068 3.021 5.013 . 0 0 "[ . 1 . 2]" 1
514 1 34 TRP HD1 1 46 PRO HD2 3.235 . 4.670 4.124 3.360 4.703 0.033 17 0 "[ . 1 . 2]" 1
515 1 34 TRP HD1 1 46 PRO HD3 2.990 . 4.180 2.561 2.114 3.211 . 0 0 "[ . 1 . 2]" 1
516 1 34 TRP HE1 1 45 PRO HA 3.180 . 4.560 4.476 4.049 4.689 0.129 13 0 "[ . 1 . 2]" 1
517 1 34 TRP HE1 1 46 PRO HD2 3.205 . 4.610 4.057 3.671 4.630 0.020 18 0 "[ . 1 . 2]" 1
518 1 34 TRP HE1 1 46 PRO HD3 3.090 . 4.380 3.165 2.665 3.952 . 0 0 "[ . 1 . 2]" 1
519 1 34 TRP HE3 1 43 GLN HB2 3.325 . 4.850 2.818 2.284 3.176 . 0 0 "[ . 1 . 2]" 1
520 1 34 TRP HE3 1 43 GLN HB3 3.240 . 4.680 2.193 1.926 2.420 . 0 0 "[ . 1 . 2]" 1
521 1 34 TRP HE3 1 44 PHE H 3.565 . 5.330 5.015 3.976 5.355 0.025 15 0 "[ . 1 . 2]" 1
522 1 34 TRP HE3 1 45 PRO HA 3.530 . 5.260 4.968 3.805 5.319 0.059 12 0 "[ . 1 . 2]" 1
523 1 35 LYS H 1 35 LYS HB2 2.935 . 4.070 2.581 2.298 2.868 . 0 0 "[ . 1 . 2]" 1
524 1 35 LYS H 1 35 LYS QB 2.660 . 3.520 2.525 2.218 2.771 . 0 0 "[ . 1 . 2]" 1
525 1 35 LYS H 1 35 LYS HB3 2.935 . 4.070 3.601 2.922 3.731 . 0 0 "[ . 1 . 2]" 1
526 1 35 LYS H 1 35 LYS HG2 3.230 . 4.660 2.493 2.097 4.526 . 0 0 "[ . 1 . 2]" 1
527 1 35 LYS H 1 35 LYS QG 2.950 . 4.100 2.417 2.085 4.075 . 0 0 "[ . 1 . 2]" 1
528 1 35 LYS H 1 35 LYS HG3 3.230 . 4.660 3.766 3.594 4.625 . 0 0 "[ . 1 . 2]" 1
529 1 35 LYS H 1 36 VAL H 2.905 . 4.010 4.131 4.072 4.195 0.185 4 0 "[ . 1 . 2]" 1
530 1 35 LYS H 1 44 PHE H 3.000 . 4.200 3.009 2.723 3.197 . 0 0 "[ . 1 . 2]" 1
531 1 35 LYS H 1 44 PHE HB2 2.765 . 3.730 3.320 2.999 3.661 . 0 0 "[ . 1 . 2]" 1
532 1 35 LYS H 1 46 PRO HA 3.225 . 4.650 4.360 3.665 4.683 0.033 3 0 "[ . 1 . 2]" 1
533 1 35 LYS HA 1 35 LYS HD2 3.200 . 4.600 2.948 2.091 3.474 . 0 0 "[ . 1 . 2]" 1
534 1 35 LYS HA 1 35 LYS HD3 3.200 . 4.600 2.525 1.911 4.052 . 0 0 "[ . 1 . 2]" 1
535 1 35 LYS HA 1 35 LYS QG 2.725 . 3.650 3.023 2.500 3.269 . 0 0 "[ . 1 . 2]" 1
536 1 35 LYS HA 1 36 VAL H 2.350 . 2.900 1.824 1.756 1.887 0.044 6 0 "[ . 1 . 2]" 1
537 1 35 LYS HA 1 36 VAL HB 2.975 . 4.150 4.229 4.131 4.282 0.132 20 0 "[ . 1 . 2]" 1
538 1 35 LYS HA 1 43 GLN HA 3.090 . 4.380 4.511 4.436 4.552 0.172 14 0 "[ . 1 . 2]" 1
539 1 35 LYS QB 1 35 LYS QD 2.570 . 3.340 2.455 2.192 2.927 . 0 0 "[ . 1 . 2]" 1
540 1 35 LYS QB 1 44 PHE H 2.955 . 4.110 3.225 2.857 3.628 . 0 0 "[ . 1 . 2]" 1
541 1 35 LYS QB 1 44 PHE HB2 3.100 . 4.400 2.290 1.901 3.193 . 0 0 "[ . 1 . 2]" 1
542 1 35 LYS QB 1 44 PHE QD 3.160 . 4.520 3.491 2.203 4.258 . 0 0 "[ . 1 . 2]" 1
543 1 35 LYS QB 1 53 PHE QD 3.395 . 4.990 2.993 2.537 3.663 . 0 0 "[ . 1 . 2]" 1
544 1 35 LYS HB2 1 44 PHE H 3.250 . 4.700 3.351 2.910 4.480 . 0 0 "[ . 1 . 2]" 1
545 1 35 LYS HB2 1 53 PHE HZ 3.485 . 5.170 4.740 3.947 5.199 0.029 20 0 "[ . 1 . 2]" 1
546 1 35 LYS HB3 1 44 PHE H 3.250 . 4.700 4.383 3.835 4.701 0.001 1 0 "[ . 1 . 2]" 1
547 1 35 LYS HB3 1 53 PHE HZ 3.485 . 5.170 3.545 2.989 4.208 . 0 0 "[ . 1 . 2]" 1
548 1 35 LYS HD2 1 36 VAL H 3.650 . 5.500 4.432 3.522 4.928 . 0 0 "[ . 1 . 2]" 1
549 1 35 LYS HD3 1 36 VAL H 3.650 . 5.500 4.161 2.929 5.658 0.158 6 0 "[ . 1 . 2]" 1
550 1 35 LYS QG 1 36 VAL H 3.570 . 5.340 4.522 3.276 4.793 . 0 0 "[ . 1 . 2]" 1
551 1 35 LYS QG 1 46 PRO HA 3.570 . 5.340 3.760 2.759 5.400 0.060 9 0 "[ . 1 . 2]" 1
552 1 36 VAL H 1 36 VAL HB 2.600 . 3.400 2.723 2.668 2.797 . 0 0 "[ . 1 . 2]" 1
553 1 36 VAL H 1 36 VAL MG1 2.540 . 3.280 1.946 1.851 2.031 . 0 0 "[ . 1 . 2]" 1
554 1 36 VAL H 1 37 CYS H 3.170 . 4.540 4.447 4.328 4.553 0.013 4 0 "[ . 1 . 2]" 1
555 1 36 VAL H 1 53 PHE QE 3.295 . 4.790 4.241 3.893 4.569 . 0 0 "[ . 1 . 2]" 1
556 1 36 VAL HA 1 36 VAL MG1 2.735 . 3.670 3.217 3.194 3.238 . 0 0 "[ . 1 . 2]" 1
557 1 36 VAL HA 1 36 VAL MG2 2.550 . 3.300 2.382 2.347 2.421 . 0 0 "[ . 1 . 2]" 1
558 1 36 VAL HA 1 37 CYS H 2.445 . 3.090 2.114 2.024 2.201 . 0 0 "[ . 1 . 2]" 1
559 1 36 VAL HA 1 43 GLN HA 2.670 . 3.540 2.006 1.905 2.159 . 0 0 "[ . 1 . 2]" 1
560 1 36 VAL HA 1 44 PHE H 2.830 . 3.860 3.306 3.128 3.631 . 0 0 "[ . 1 . 2]" 1
561 1 36 VAL HA 1 53 PHE QE 3.325 . 4.850 3.774 3.446 4.057 . 0 0 "[ . 1 . 2]" 1
562 1 36 VAL HB 1 37 CYS H 3.135 . 4.470 4.215 4.122 4.384 . 0 0 "[ . 1 . 2]" 1
563 1 36 VAL HB 1 43 GLN QG 2.860 . 3.920 1.908 1.796 2.172 0.004 7 0 "[ . 1 . 2]" 1
564 1 36 VAL MG1 1 38 PRO HA 3.225 . 4.650 4.273 3.718 4.642 . 0 0 "[ . 1 . 2]" 1
565 1 36 VAL MG1 1 43 GLN HA 3.050 . 4.300 4.302 4.100 4.363 0.063 19 0 "[ . 1 . 2]" 1
566 1 36 VAL MG1 1 43 GLN QE 3.525 . 5.250 4.249 3.260 5.344 0.094 8 0 "[ . 1 . 2]" 1
567 1 36 VAL MG1 1 43 GLN HG2 3.350 . 4.900 3.553 3.370 3.694 . 0 0 "[ . 1 . 2]" 1
568 1 36 VAL MG1 1 43 GLN QG 3.020 . 4.240 3.461 3.298 3.581 . 0 0 "[ . 1 . 2]" 1
569 1 36 VAL MG1 1 43 GLN HG3 3.350 . 4.900 4.776 4.549 4.911 0.011 2 0 "[ . 1 . 2]" 1
570 1 36 VAL MG1 1 44 PHE H 3.530 . 5.260 5.283 5.105 5.327 0.067 19 0 "[ . 1 . 2]" 1
571 1 36 VAL MG2 1 37 CYS H 2.655 . 3.510 2.780 2.513 3.101 . 0 0 "[ . 1 . 2]" 1
572 1 36 VAL MG2 1 38 PRO HA 2.980 . 4.160 3.599 3.097 4.176 0.016 16 0 "[ . 1 . 2]" 1
573 1 36 VAL MG2 1 41 SER H 2.965 . 4.130 3.574 3.225 4.131 0.001 5 0 "[ . 1 . 2]" 1
574 1 36 VAL MG2 1 41 SER HA 2.665 . 3.530 2.449 2.106 3.130 . 0 0 "[ . 1 . 2]" 1
575 1 36 VAL MG2 1 41 SER QB 3.220 . 4.640 3.726 3.307 4.247 . 0 0 "[ . 1 . 2]" 1
576 1 36 VAL MG2 1 42 GLU H 3.605 . 5.410 3.230 2.926 3.739 . 0 0 "[ . 1 . 2]" 1
577 1 36 VAL MG2 1 43 GLN H 3.590 . 5.380 3.794 3.439 4.047 . 0 0 "[ . 1 . 2]" 1
578 1 36 VAL MG2 1 43 GLN HA 2.905 . 4.010 3.291 3.117 3.503 . 0 0 "[ . 1 . 2]" 1
579 1 36 VAL MG2 1 43 GLN QE 3.380 . 4.960 3.615 2.355 4.675 . 0 0 "[ . 1 . 2]" 1
580 1 36 VAL MG2 1 43 GLN HG2 3.160 . 4.520 2.348 2.099 2.594 . 0 0 "[ . 1 . 2]" 1
581 1 36 VAL MG2 1 43 GLN QG 2.865 . 3.930 2.209 2.026 2.396 . 0 0 "[ . 1 . 2]" 1
582 1 36 VAL MG2 1 43 GLN HG3 3.160 . 4.520 2.721 2.565 2.842 . 0 0 "[ . 1 . 2]" 1
583 1 37 CYS H 1 37 CYS HB2 2.685 . 3.570 2.554 2.361 2.706 . 0 0 "[ . 1 . 2]" 1
584 1 37 CYS H 1 37 CYS HB3 2.685 . 3.570 2.380 2.139 3.460 . 0 0 "[ . 1 . 2]" 1
585 1 37 CYS H 1 40 CYS H 3.065 . 4.330 4.464 4.408 4.520 0.190 18 0 "[ . 1 . 2]" 1
586 1 37 CYS H 1 41 SER H 3.270 . 4.740 3.953 3.698 4.301 . 0 0 "[ . 1 . 2]" 1
587 1 37 CYS H 1 41 SER HA 3.190 . 4.580 4.175 3.761 4.595 0.015 5 0 "[ . 1 . 2]" 1
588 1 37 CYS H 1 42 GLU H 3.015 . 4.230 2.868 2.724 3.062 . 0 0 "[ . 1 . 2]" 1
589 1 37 CYS H 1 42 GLU HB2 3.135 . 4.470 4.096 3.729 4.553 0.083 3 0 "[ . 1 . 2]" 1
590 1 37 CYS H 1 43 GLN H 3.650 . 5.500 4.761 4.618 4.936 . 0 0 "[ . 1 . 2]" 1
591 1 37 CYS H 1 43 GLN HA 2.890 . 3.980 3.686 3.467 3.841 . 0 0 "[ . 1 . 2]" 1
592 1 37 CYS H 1 44 PHE QD 3.285 . 4.770 3.655 3.208 4.596 . 0 0 "[ . 1 . 2]" 1
593 1 37 CYS H 1 44 PHE QE 3.430 . 5.060 3.712 3.259 4.391 . 0 0 "[ . 1 . 2]" 1
594 1 37 CYS H 1 56 HIS HD2 3.650 . 5.500 5.115 4.737 5.593 0.093 2 0 "[ . 1 . 2]" 1
595 1 37 CYS HA 1 38 PRO HD2 2.790 . 3.780 2.321 2.105 2.655 . 0 0 "[ . 1 . 2]" 1
596 1 37 CYS HA 1 38 PRO HD3 2.845 . 3.890 2.229 1.983 2.464 . 0 0 "[ . 1 . 2]" 1
597 1 37 CYS HA 1 39 MET H 3.120 . 4.440 3.921 3.372 4.391 . 0 0 "[ . 1 . 2]" 1
598 1 37 CYS HA 1 53 PHE QE 3.415 . 5.030 3.104 2.685 3.652 . 0 0 "[ . 1 . 2]" 1
599 1 37 CYS HA 1 53 PHE HZ 3.015 . 4.230 2.529 1.902 3.202 . 0 0 "[ . 1 . 2]" 1
600 1 37 CYS HA 1 57 VAL MG2 2.865 . 3.930 2.875 2.457 3.607 . 0 0 "[ . 1 . 2]" 1
601 1 37 CYS QB 1 39 MET H 3.195 . 4.590 3.751 2.422 4.229 . 0 0 "[ . 1 . 2]" 1
602 1 37 CYS QB 1 40 CYS H 2.655 . 3.510 2.588 1.811 2.883 . 0 0 "[ . 1 . 2]" 1
603 1 37 CYS QB 1 41 SER H 2.665 . 3.530 2.951 2.210 3.263 . 0 0 "[ . 1 . 2]" 1
604 1 37 CYS QB 1 41 SER HA 3.110 . 4.420 4.232 3.647 4.431 0.011 12 0 "[ . 1 . 2]" 1
605 1 37 CYS QB 1 42 GLU H 2.645 . 3.490 2.563 2.261 2.757 . 0 0 "[ . 1 . 2]" 1
606 1 37 CYS QB 1 44 PHE QE 3.060 . 4.320 2.751 2.070 4.168 . 0 0 "[ . 1 . 2]" 1
607 1 37 CYS QB 1 53 PHE QE 3.205 . 4.610 2.741 2.325 3.865 . 0 0 "[ . 1 . 2]" 1
608 1 37 CYS QB 1 56 HIS HD2 2.840 . 3.880 2.730 2.287 3.944 0.064 15 0 "[ . 1 . 2]" 1
609 1 37 CYS HB2 1 42 GLU H 2.905 . 4.010 3.890 2.273 4.130 0.120 4 0 "[ . 1 . 2]" 1
610 1 37 CYS HB3 1 42 GLU H 2.905 . 4.010 2.765 2.371 4.036 0.026 15 0 "[ . 1 . 2]" 1
611 1 38 PRO HA 1 40 CYS H 3.165 . 4.530 4.359 3.965 4.573 0.043 16 0 "[ . 1 . 2]" 1
612 1 38 PRO HA 1 41 SER H 3.380 . 4.960 3.932 3.512 4.386 . 0 0 "[ . 1 . 2]" 1
613 1 38 PRO HD2 1 39 MET H 2.975 . 4.150 2.647 2.293 3.062 . 0 0 "[ . 1 . 2]" 1
614 1 38 PRO HD2 1 41 SER H 3.500 . 5.200 5.271 5.218 5.340 0.140 9 0 "[ . 1 . 2]" 1
615 1 38 PRO HD2 1 57 VAL HA 3.150 . 4.500 4.488 4.095 4.554 0.054 1 0 "[ . 1 . 2]" 1
616 1 38 PRO HD2 1 57 VAL MG1 2.835 . 3.870 2.805 2.395 3.535 . 0 0 "[ . 1 . 2]" 1
617 1 38 PRO HD2 1 57 VAL MG2 2.845 . 3.890 3.000 2.278 3.702 . 0 0 "[ . 1 . 2]" 1
618 1 38 PRO HD3 1 39 MET H 3.075 . 4.350 3.879 3.637 4.138 . 0 0 "[ . 1 . 2]" 1
619 1 38 PRO HD3 1 53 PHE HZ 3.155 . 4.510 3.333 2.466 4.152 . 0 0 "[ . 1 . 2]" 1
620 1 38 PRO HD3 1 57 VAL MG1 2.920 . 4.040 3.638 3.249 4.064 0.024 15 0 "[ . 1 . 2]" 1
621 1 38 PRO HD3 1 57 VAL MG2 2.810 . 3.820 3.460 3.163 3.839 0.019 17 0 "[ . 1 . 2]" 1
622 1 38 PRO QG 1 39 MET H 2.925 . 4.050 2.995 2.323 3.756 . 0 0 "[ . 1 . 2]" 1
623 1 38 PRO HG2 1 39 MET H 3.235 . 4.670 3.097 2.341 4.023 . 0 0 "[ . 1 . 2]" 1
624 1 38 PRO HG2 1 57 VAL MG1 3.250 . 4.700 3.343 2.398 3.945 . 0 0 "[ . 1 . 2]" 1
625 1 38 PRO HG3 1 39 MET H 3.235 . 4.670 4.209 3.883 4.501 . 0 0 "[ . 1 . 2]" 1
626 1 38 PRO HG3 1 57 VAL MG1 3.250 . 4.700 3.877 2.778 4.701 0.001 2 0 "[ . 1 . 2]" 1
627 1 39 MET H 1 39 MET HB2 2.895 . 3.990 2.410 2.218 2.681 . 0 0 "[ . 1 . 2]" 1
628 1 39 MET H 1 39 MET QB 2.595 . 3.390 2.312 2.196 2.403 . 0 0 "[ . 1 . 2]" 1
629 1 39 MET H 1 39 MET HB3 2.895 . 3.990 3.325 2.480 3.643 . 0 0 "[ . 1 . 2]" 1
630 1 39 MET H 1 39 MET ME 3.080 . 4.360 3.099 2.185 4.385 0.025 5 0 "[ . 1 . 2]" 1
631 1 39 MET H 1 39 MET HG2 3.075 . 4.350 4.046 2.168 4.394 0.044 18 0 "[ . 1 . 2]" 1
632 1 39 MET H 1 39 MET QG 2.810 . 3.820 3.289 2.151 3.907 0.087 14 0 "[ . 1 . 2]" 1
633 1 39 MET H 1 39 MET HG3 3.075 . 4.350 3.619 2.766 4.413 0.063 19 0 "[ . 1 . 2]" 1
634 1 39 MET H 1 40 CYS H 2.455 . 3.110 2.375 2.092 2.697 . 0 0 "[ . 1 . 2]" 1
635 1 39 MET H 1 41 SER H 2.870 . 3.940 3.729 3.227 3.953 0.013 16 0 "[ . 1 . 2]" 1
636 1 39 MET HA 1 39 MET ME 3.055 . 4.310 4.092 2.674 4.390 0.080 14 0 "[ . 1 . 2]" 1
637 1 39 MET HA 1 39 MET HG2 2.785 . 3.770 3.066 2.573 3.720 . 0 0 "[ . 1 . 2]" 1
638 1 39 MET HA 1 39 MET HG3 2.785 . 3.770 2.598 2.256 3.772 0.002 5 0 "[ . 1 . 2]" 1
639 1 39 MET HA 1 41 SER H 3.635 . 5.470 4.385 4.220 4.519 . 0 0 "[ . 1 . 2]" 1
640 1 39 MET QB 1 39 MET ME 2.600 . 3.400 2.102 1.901 2.202 . 0 0 "[ . 1 . 2]" 1
641 1 39 MET QB 1 40 CYS H 2.690 . 3.580 3.017 2.388 3.277 . 0 0 "[ . 1 . 2]" 1
642 1 39 MET QB 1 40 CYS HB2 3.030 . 4.260 4.309 3.959 4.405 0.145 15 0 "[ . 1 . 2]" 1
643 1 39 MET QB 1 60 HIS HE1 3.115 . 4.430 3.037 2.011 3.665 . 0 0 "[ . 1 . 2]" 1
644 1 39 MET HB2 1 40 CYS H 3.005 . 4.210 3.397 2.420 4.191 . 0 0 "[ . 1 . 2]" 1
645 1 39 MET HB3 1 40 CYS H 3.005 . 4.210 3.704 2.831 4.183 . 0 0 "[ . 1 . 2]" 1
646 1 39 MET ME 1 40 CYS H 3.305 . 4.810 4.456 3.819 4.964 0.154 5 0 "[ . 1 . 2]" 1
647 1 39 MET ME 1 57 VAL MG1 2.875 . 3.950 2.798 1.978 4.023 0.073 16 0 "[ . 1 . 2]" 1
648 1 39 MET ME 1 60 HIS HB2 2.860 . 3.920 2.255 1.967 2.664 . 0 0 "[ . 1 . 2]" 1
649 1 39 MET ME 1 60 HIS HB3 2.780 . 3.760 2.879 2.052 3.896 0.136 16 0 "[ . 1 . 2]" 1
650 1 39 MET ME 1 60 HIS HE1 3.650 . 5.500 4.383 3.083 5.421 . 0 0 "[ . 1 . 2]" 1
651 1 39 MET ME 1 61 PHE QD 2.580 . 3.360 3.072 2.019 3.404 0.044 2 0 "[ . 1 . 2]" 1
652 1 39 MET ME 1 61 PHE QE 2.985 . 4.170 2.550 2.172 3.398 . 0 0 "[ . 1 . 2]" 1
653 1 39 MET ME 1 61 PHE HZ 3.085 . 4.370 3.370 2.848 4.277 . 0 0 "[ . 1 . 2]" 1
654 1 40 CYS H 1 40 CYS HB2 2.945 . 4.090 2.250 2.119 2.403 . 0 0 "[ . 1 . 2]" 1
655 1 40 CYS H 1 40 CYS HB3 2.960 . 4.120 3.575 3.509 3.651 . 0 0 "[ . 1 . 2]" 1
656 1 40 CYS H 1 41 SER H 2.375 . 2.950 2.028 1.789 2.202 0.011 13 0 "[ . 1 . 2]" 1
657 1 40 CYS H 1 41 SER HA 3.020 . 4.240 4.154 3.898 4.295 0.055 19 0 "[ . 1 . 2]" 1
658 1 40 CYS H 1 42 GLU H 2.895 . 3.990 3.744 3.518 3.993 0.003 16 0 "[ . 1 . 2]" 1
659 1 40 CYS HA 1 42 GLU H 3.080 . 4.360 4.394 4.310 4.431 0.071 9 0 "[ . 1 . 2]" 1
660 1 40 CYS HA 1 60 HIS HE1 2.880 . 3.960 3.724 3.324 3.975 0.015 3 0 "[ . 1 . 2]" 1
661 1 40 CYS HB2 1 41 SER H 3.030 . 4.260 3.022 2.872 3.142 . 0 0 "[ . 1 . 2]" 1
662 1 40 CYS HB2 1 60 HIS HE1 2.570 . 3.340 3.346 2.913 3.534 0.194 5 0 "[ . 1 . 2]" 1
663 1 40 CYS HB3 1 41 SER H 2.730 . 3.660 3.724 3.676 3.804 0.144 10 0 "[ . 1 . 2]" 1
664 1 40 CYS HB3 1 42 GLU H 3.070 . 4.340 2.897 2.763 3.129 . 0 0 "[ . 1 . 2]" 1
665 1 40 CYS HB3 1 42 GLU HB3 2.975 . 4.150 3.857 2.952 4.190 0.040 20 0 "[ . 1 . 2]" 1
666 1 40 CYS HB3 1 60 HIS HE1 2.875 . 3.950 4.143 3.981 4.245 0.295 19 0 "[ . 1 . 2]" 1
667 1 41 SER H 1 41 SER HB2 2.860 . 3.920 3.633 3.147 4.018 0.098 10 0 "[ . 1 . 2]" 1
668 1 41 SER H 1 41 SER HB3 2.860 . 3.920 3.734 3.104 4.000 0.080 2 0 "[ . 1 . 2]" 1
669 1 41 SER H 1 42 GLU H 2.635 . 3.470 2.608 2.406 2.754 . 0 0 "[ . 1 . 2]" 1
670 1 42 GLU H 1 42 GLU HB2 2.695 . 3.590 2.298 2.198 2.598 . 0 0 "[ . 1 . 2]" 1
671 1 42 GLU H 1 42 GLU HB3 2.570 . 3.340 3.269 2.307 3.466 0.126 5 0 "[ . 1 . 2]" 1
672 1 42 GLU H 1 42 GLU HG2 3.215 . 4.630 4.007 3.679 4.496 . 0 0 "[ . 1 . 2]" 1
673 1 42 GLU H 1 42 GLU HG3 3.140 . 4.480 3.320 2.755 4.490 0.010 10 0 "[ . 1 . 2]" 1
674 1 42 GLU H 1 43 GLN H 2.750 . 3.700 3.947 3.894 3.975 0.275 10 0 "[ . 1 . 2]" 1
675 1 42 GLU HA 1 42 GLU HG2 2.635 . 3.470 2.477 2.280 3.193 . 0 0 "[ . 1 . 2]" 1
676 1 42 GLU HA 1 42 GLU HG3 2.940 . 4.080 2.900 2.403 3.538 . 0 0 "[ . 1 . 2]" 1
677 1 42 GLU HA 1 43 GLN H 2.315 . 2.830 1.763 1.726 1.842 0.074 12 0 "[ . 1 . 2]" 1
678 1 42 GLU HA 1 43 GLN HA 3.060 . 4.320 4.245 4.213 4.312 . 0 0 "[ . 1 . 2]" 1
679 1 42 GLU HA 1 43 GLN HB2 2.800 . 3.800 3.903 3.868 3.946 0.146 3 0 "[ . 1 . 2]" 1
680 1 42 GLU HA 1 43 GLN HG2 3.110 . 4.420 4.464 4.386 4.498 0.078 11 0 "[ . 1 . 2]" 1
681 1 42 GLU HA 1 43 GLN QG 2.810 . 3.820 3.098 2.926 3.337 . 0 0 "[ . 1 . 2]" 1
682 1 42 GLU HA 1 43 GLN HG3 3.110 . 4.420 3.162 2.966 3.450 . 0 0 "[ . 1 . 2]" 1
683 1 42 GLU HB2 1 43 GLN H 3.265 . 4.730 3.881 3.581 4.188 . 0 0 "[ . 1 . 2]" 1
684 1 42 GLU HB2 1 44 PHE QE 3.055 . 4.310 3.477 2.540 4.347 0.037 2 0 "[ . 1 . 2]" 1
685 1 42 GLU HB3 1 43 GLN H 2.745 . 3.690 2.940 2.407 3.797 0.107 3 0 "[ . 1 . 2]" 1
686 1 42 GLU HB3 1 44 PHE H 3.605 . 5.410 5.255 5.033 5.427 0.017 19 0 "[ . 1 . 2]" 1
687 1 42 GLU HB3 1 44 PHE QE 3.285 . 4.770 3.579 2.736 4.226 . 0 0 "[ . 1 . 2]" 1
688 1 42 GLU HG2 1 43 GLN H 2.650 . 3.500 3.537 3.261 3.597 0.097 7 0 "[ . 1 . 2]" 1
689 1 42 GLU HG3 1 43 GLN H 3.165 . 4.530 4.312 3.259 4.549 0.019 14 0 "[ . 1 . 2]" 1
690 1 43 GLN H 1 43 GLN HB2 2.595 . 3.390 2.300 2.230 2.402 . 0 0 "[ . 1 . 2]" 1
691 1 43 GLN H 1 43 GLN HB3 2.905 . 4.010 3.604 3.542 3.691 . 0 0 "[ . 1 . 2]" 1
692 1 43 GLN H 1 43 GLN HG2 3.065 . 4.330 3.554 3.263 3.742 . 0 0 "[ . 1 . 2]" 1
693 1 43 GLN H 1 43 GLN QG 2.785 . 3.770 2.401 2.173 2.584 . 0 0 "[ . 1 . 2]" 1
694 1 43 GLN H 1 43 GLN HG3 3.065 . 4.330 2.442 2.195 2.645 . 0 0 "[ . 1 . 2]" 1
695 1 43 GLN H 1 44 PHE H 3.215 . 4.630 4.314 4.253 4.374 . 0 0 "[ . 1 . 2]" 1
696 1 43 GLN HA 1 43 GLN HG2 3.020 . 4.240 2.551 2.475 2.728 . 0 0 "[ . 1 . 2]" 1
697 1 43 GLN HA 1 43 GLN HG3 3.020 . 4.240 3.173 3.075 3.332 . 0 0 "[ . 1 . 2]" 1
698 1 43 GLN HA 1 44 PHE H 2.495 . 3.190 2.048 2.000 2.101 . 0 0 "[ . 1 . 2]" 1
699 1 43 GLN HA 1 44 PHE HB2 3.125 . 4.450 4.300 4.172 4.466 0.016 20 0 "[ . 1 . 2]" 1
700 1 43 GLN HA 1 44 PHE QD 2.990 . 4.180 3.420 3.205 4.216 0.036 20 0 "[ . 1 . 2]" 1
701 1 43 GLN HB2 1 44 PHE H 3.155 . 4.510 4.139 4.080 4.178 . 0 0 "[ . 1 . 2]" 1
702 1 43 GLN HB3 1 44 PHE H 2.980 . 4.160 3.415 3.347 3.499 . 0 0 "[ . 1 . 2]" 1
703 1 43 GLN HB3 1 44 PHE HA 3.485 . 5.170 4.831 4.683 4.970 . 0 0 "[ . 1 . 2]" 1
704 1 43 GLN QE 1 43 GLN QG 2.500 . 3.200 2.252 2.095 2.698 . 0 0 "[ . 1 . 2]" 1
705 1 44 PHE H 1 44 PHE HB2 2.920 . 4.040 2.337 2.247 2.450 . 0 0 "[ . 1 . 2]" 1
706 1 44 PHE H 1 44 PHE HB3 2.890 . 3.980 3.582 3.518 3.654 . 0 0 "[ . 1 . 2]" 1
707 1 44 PHE H 1 44 PHE QD 2.730 . 3.660 2.498 2.299 2.978 . 0 0 "[ . 1 . 2]" 1
708 1 44 PHE HA 1 44 PHE QD 2.870 . 3.940 3.032 2.579 3.173 . 0 0 "[ . 1 . 2]" 1
709 1 44 PHE HA 1 45 PRO HD2 2.615 . 3.430 2.439 2.220 2.619 . 0 0 "[ . 1 . 2]" 1
710 1 44 PHE HA 1 45 PRO HD3 2.520 . 3.240 2.444 2.272 2.622 . 0 0 "[ . 1 . 2]" 1
711 1 44 PHE HA 1 45 PRO HG2 3.650 . 5.500 4.541 4.353 4.704 . 0 0 "[ . 1 . 2]" 1
712 1 44 PHE HA 1 45 PRO HG3 3.650 . 5.500 4.580 4.420 4.740 . 0 0 "[ . 1 . 2]" 1
713 1 44 PHE HB2 1 45 PRO HD2 3.205 . 4.610 3.752 3.627 3.898 . 0 0 "[ . 1 . 2]" 1
714 1 44 PHE HB2 1 45 PRO HD3 3.340 . 4.880 4.834 4.741 4.907 0.027 2 0 "[ . 1 . 2]" 1
715 1 44 PHE HB2 1 48 TYR QD 3.205 . 4.610 4.032 3.492 4.607 . 0 0 "[ . 1 . 2]" 1
716 1 44 PHE HB2 1 53 PHE QD 3.230 . 4.660 3.462 3.031 4.210 . 0 0 "[ . 1 . 2]" 1
717 1 44 PHE HB3 1 45 PRO HD2 2.935 . 4.070 2.208 2.030 2.412 . 0 0 "[ . 1 . 2]" 1
718 1 44 PHE HB3 1 45 PRO HD3 2.985 . 4.170 3.658 3.500 3.831 . 0 0 "[ . 1 . 2]" 1
719 1 44 PHE HB3 1 48 TYR H 3.585 . 5.370 4.642 4.415 4.873 . 0 0 "[ . 1 . 2]" 1
720 1 44 PHE HB3 1 48 TYR HB3 2.880 . 3.960 3.172 2.819 3.415 . 0 0 "[ . 1 . 2]" 1
721 1 44 PHE HB3 1 48 TYR QD 3.285 . 4.770 3.167 2.726 3.614 . 0 0 "[ . 1 . 2]" 1
722 1 44 PHE QD 1 45 PRO HD2 3.060 . 4.320 2.906 2.719 3.177 . 0 0 "[ . 1 . 2]" 1
723 1 44 PHE QD 1 45 PRO HD3 3.140 . 4.480 4.084 3.760 4.485 0.005 2 0 "[ . 1 . 2]" 1
724 1 44 PHE QD 1 48 TYR QD 2.840 . 3.880 3.324 2.891 3.650 . 0 0 "[ . 1 . 2]" 1
725 1 44 PHE QD 1 52 VAL QG 3.345 . 4.890 4.934 4.730 5.037 0.147 20 0 "[ . 1 . 2]" 1
726 1 44 PHE QD 1 53 PHE QE 3.265 . 4.730 2.676 2.197 3.562 . 0 0 "[ . 1 . 2]" 1
727 1 44 PHE QE 1 56 HIS HE1 3.650 . 5.500 4.267 3.545 5.201 . 0 0 "[ . 1 . 2]" 1
728 1 44 PHE HZ 1 56 HIS HE1 3.080 . 4.360 3.357 2.621 4.274 . 0 0 "[ . 1 . 2]" 1
729 1 45 PRO HA 1 46 PRO HA 3.215 . 4.630 4.471 4.397 4.556 . 0 0 "[ . 1 . 2]" 1
730 1 45 PRO HA 1 46 PRO HD2 2.545 . 3.290 2.486 2.233 3.002 . 0 0 "[ . 1 . 2]" 1
731 1 45 PRO HA 1 46 PRO HD3 2.585 . 3.370 2.396 1.873 2.758 . 0 0 "[ . 1 . 2]" 1
732 1 45 PRO HA 1 46 PRO QG 3.020 . 4.240 3.990 3.651 4.179 . 0 0 "[ . 1 . 2]" 1
733 1 45 PRO HA 1 47 ASP H 3.080 . 4.360 3.970 3.657 4.370 0.010 20 0 "[ . 1 . 2]" 1
734 1 45 PRO HB2 1 46 PRO HD2 3.010 . 4.220 2.536 2.138 3.243 . 0 0 "[ . 1 . 2]" 1
735 1 45 PRO HB2 1 46 PRO HD3 2.885 . 3.970 3.816 3.585 3.972 0.002 10 0 "[ . 1 . 2]" 1
736 1 45 PRO HB2 1 47 ASP H 2.625 . 3.450 2.304 2.042 2.745 . 0 0 "[ . 1 . 2]" 1
737 1 45 PRO HB2 1 48 TYR H 3.230 . 4.660 3.721 3.364 4.079 . 0 0 "[ . 1 . 2]" 1
738 1 45 PRO HB2 1 48 TYR QD 3.535 . 5.270 4.692 4.310 4.871 . 0 0 "[ . 1 . 2]" 1
739 1 45 PRO HB3 1 46 PRO HD2 2.960 . 4.120 2.984 2.625 3.773 . 0 0 "[ . 1 . 2]" 1
740 1 45 PRO HB3 1 46 PRO HD3 2.930 . 4.060 3.988 3.652 4.097 0.037 18 0 "[ . 1 . 2]" 1
741 1 45 PRO HB3 1 47 ASP H 3.245 . 4.690 3.987 3.687 4.446 . 0 0 "[ . 1 . 2]" 1
742 1 45 PRO HD2 1 48 TYR H 3.190 . 4.580 4.595 4.487 4.628 0.048 8 0 "[ . 1 . 2]" 1
743 1 45 PRO HD2 1 48 TYR HB2 3.115 . 4.430 2.924 2.654 3.277 . 0 0 "[ . 1 . 2]" 1
744 1 45 PRO HD2 1 48 TYR QD 3.040 . 4.280 2.753 2.250 3.093 . 0 0 "[ . 1 . 2]" 1
745 1 45 PRO HD2 1 48 TYR QE 3.455 . 5.110 3.982 3.532 4.401 . 0 0 "[ . 1 . 2]" 1
746 1 45 PRO HD3 1 48 TYR HB2 3.275 . 4.750 4.442 4.108 4.766 0.016 18 0 "[ . 1 . 2]" 1
747 1 45 PRO HD3 1 48 TYR QD 3.130 . 4.460 4.199 3.818 4.435 . 0 0 "[ . 1 . 2]" 1
748 1 45 PRO QG 1 47 ASP H 3.065 . 4.330 3.446 3.115 3.722 . 0 0 "[ . 1 . 2]" 1
749 1 45 PRO QG 1 48 TYR H 3.175 . 4.550 3.223 2.928 3.477 . 0 0 "[ . 1 . 2]" 1
750 1 45 PRO QG 1 48 TYR HA 3.165 . 4.530 3.914 3.347 4.550 0.020 16 0 "[ . 1 . 2]" 1
751 1 45 PRO QG 1 48 TYR HB2 2.850 . 3.900 2.579 2.029 3.186 . 0 0 "[ . 1 . 2]" 1
752 1 45 PRO QG 1 48 TYR QD 2.980 . 4.160 2.427 2.060 2.596 . 0 0 "[ . 1 . 2]" 1
753 1 45 PRO QG 1 48 TYR QE 3.055 . 4.310 4.166 3.745 4.336 0.026 4 0 "[ . 1 . 2]" 1
754 1 45 PRO HG2 1 48 TYR QE 3.405 . 5.010 4.513 4.039 4.730 . 0 0 "[ . 1 . 2]" 1
755 1 45 PRO HG3 1 48 TYR QE 3.405 . 5.010 4.895 4.415 5.046 0.036 18 0 "[ . 1 . 2]" 1
756 1 46 PRO HA 1 47 ASP HA 3.555 . 5.310 4.728 4.584 4.843 . 0 0 "[ . 1 . 2]" 1
757 1 46 PRO HA 1 48 TYR H 3.240 . 4.680 3.624 3.367 3.863 . 0 0 "[ . 1 . 2]" 1
758 1 46 PRO HB2 1 47 ASP H 3.035 . 4.270 3.395 2.751 3.696 . 0 0 "[ . 1 . 2]" 1
759 1 46 PRO HB2 1 47 ASP HA 3.275 . 4.750 4.146 3.766 4.333 . 0 0 "[ . 1 . 2]" 1
760 1 46 PRO HD2 1 47 ASP H 2.875 . 3.950 2.900 2.619 3.394 . 0 0 "[ . 1 . 2]" 1
761 1 46 PRO HD2 1 48 TYR H 3.650 . 5.500 4.952 4.752 5.104 . 0 0 "[ . 1 . 2]" 1
762 1 46 PRO HD3 1 47 ASP H 3.160 . 4.520 3.918 3.663 4.328 . 0 0 "[ . 1 . 2]" 1
763 1 46 PRO QG 1 47 ASP H 3.050 . 4.300 2.971 2.388 4.147 . 0 0 "[ . 1 . 2]" 1
764 1 46 PRO HG2 1 47 ASP H 3.480 . 5.160 3.094 2.407 4.685 . 0 0 "[ . 1 . 2]" 1
765 1 46 PRO HG3 1 47 ASP H 3.480 . 5.160 4.241 3.949 4.691 . 0 0 "[ . 1 . 2]" 1
766 1 47 ASP H 1 47 ASP HB2 2.955 . 4.110 2.891 2.433 3.689 . 0 0 "[ . 1 . 2]" 1
767 1 47 ASP H 1 47 ASP HB3 2.955 . 4.110 3.042 2.392 3.711 . 0 0 "[ . 1 . 2]" 1
768 1 47 ASP H 1 48 TYR H 2.435 . 3.070 2.552 2.328 2.706 . 0 0 "[ . 1 . 2]" 1
769 1 47 ASP H 1 48 TYR HB2 3.325 . 4.850 4.112 3.803 4.389 . 0 0 "[ . 1 . 2]" 1
770 1 47 ASP HA 1 48 TYR HA 3.340 . 4.880 4.659 4.546 4.799 . 0 0 "[ . 1 . 2]" 1
771 1 47 ASP QB 1 48 TYR HA 3.330 . 4.860 4.318 3.922 4.780 . 0 0 "[ . 1 . 2]" 1
772 1 48 TYR H 1 48 TYR HB2 2.525 . 3.250 2.154 2.048 2.209 . 0 0 "[ . 1 . 2]" 1
773 1 48 TYR H 1 48 TYR HB3 2.610 . 3.420 2.813 2.443 3.289 . 0 0 "[ . 1 . 2]" 1
774 1 48 TYR H 1 48 TYR QD 2.860 . 3.920 3.786 3.492 3.965 0.045 12 0 "[ . 1 . 2]" 1
775 1 48 TYR H 1 49 ASP H 2.875 . 3.950 4.180 4.083 4.253 0.303 4 0 "[ . 1 . 2]" 1
776 1 48 TYR H 1 49 ASP HA 3.650 . 5.500 5.066 4.812 5.304 . 0 0 "[ . 1 . 2]" 1
777 1 48 TYR HA 1 48 TYR QD 2.515 . 3.230 2.761 2.425 2.957 . 0 0 "[ . 1 . 2]" 1
778 1 48 TYR HA 1 48 TYR QE 3.100 . 4.400 4.393 4.285 4.461 0.061 7 0 "[ . 1 . 2]" 1
779 1 48 TYR HA 1 49 ASP H 2.365 . 2.930 2.228 1.899 2.815 . 0 0 "[ . 1 . 2]" 1
780 1 48 TYR HA 1 49 ASP HB2 3.070 . 4.340 4.157 3.947 4.389 0.049 9 0 "[ . 1 . 2]" 1
781 1 48 TYR HB2 1 49 ASP H 3.280 . 4.760 4.089 3.658 4.422 . 0 0 "[ . 1 . 2]" 1
782 1 48 TYR HB3 1 49 ASP H 2.720 . 3.640 3.261 2.609 3.712 0.072 5 0 "[ . 1 . 2]" 1
783 1 48 TYR QD 1 49 ASP H 3.060 . 4.320 3.146 2.210 3.974 . 0 0 "[ . 1 . 2]" 1
784 1 48 TYR QD 1 52 VAL HB 3.175 . 4.550 3.451 2.846 4.569 0.019 19 0 "[ . 1 . 2]" 1
785 1 48 TYR QD 1 52 VAL QG 3.055 . 4.310 3.124 2.132 3.752 . 0 0 "[ . 1 . 2]" 1
786 1 48 TYR QD 1 53 PHE H 3.085 . 4.370 3.334 2.888 3.688 . 0 0 "[ . 1 . 2]" 1
787 1 48 TYR QD 1 53 PHE HA 2.950 . 4.100 3.373 2.576 3.898 . 0 0 "[ . 1 . 2]" 1
788 1 48 TYR QD 1 53 PHE HB2 2.885 . 3.970 2.374 1.894 3.173 . 0 0 "[ . 1 . 2]" 1
789 1 48 TYR QD 1 53 PHE HB3 3.060 . 4.320 3.845 3.484 4.357 0.037 20 0 "[ . 1 . 2]" 1
790 1 48 TYR QE 1 52 VAL HB 3.100 . 4.400 3.515 2.913 4.099 . 0 0 "[ . 1 . 2]" 1
791 1 48 TYR QE 1 52 VAL MG1 3.115 . 4.430 2.329 1.941 4.548 0.118 19 0 "[ . 1 . 2]" 1
792 1 48 TYR QE 1 52 VAL QG 2.550 . 3.300 2.091 1.939 2.351 . 0 0 "[ . 1 . 2]" 1
793 1 48 TYR QE 1 52 VAL MG2 3.115 . 4.430 4.193 2.135 4.589 0.159 5 0 "[ . 1 . 2]" 1
794 1 48 TYR QE 1 53 PHE H 3.275 . 4.750 3.991 3.228 4.776 0.026 9 0 "[ . 1 . 2]" 1
795 1 49 ASP H 1 49 ASP HB2 2.525 . 3.250 2.460 2.142 2.869 . 0 0 "[ . 1 . 2]" 1
796 1 49 ASP H 1 49 ASP HB3 2.605 . 3.410 2.763 2.610 3.476 0.066 15 0 "[ . 1 . 2]" 1
797 1 49 ASP H 1 50 GLN H 3.005 . 4.210 4.345 4.270 4.423 0.213 18 0 "[ . 1 . 2]" 1
798 1 49 ASP H 1 52 VAL H 2.985 . 4.170 4.268 4.186 4.339 0.169 17 0 "[ . 1 . 2]" 1
799 1 49 ASP H 1 52 VAL HB 3.365 . 4.930 3.153 2.673 4.947 0.017 9 0 "[ . 1 . 2]" 1
800 1 49 ASP H 1 52 VAL MG1 2.990 . 4.180 3.837 3.439 4.194 0.014 15 0 "[ . 1 . 2]" 1
801 1 49 ASP H 1 52 VAL MG2 2.990 . 4.180 3.417 2.172 4.052 . 0 0 "[ . 1 . 2]" 1
802 1 49 ASP HA 1 50 GLN H 2.300 . 2.800 2.072 1.965 2.129 . 0 0 "[ . 1 . 2]" 1
803 1 49 ASP HA 1 50 GLN HA 3.495 . 5.190 4.265 4.141 4.337 . 0 0 "[ . 1 . 2]" 1
804 1 49 ASP HA 1 50 GLN QB 3.165 . 4.530 4.252 3.958 4.400 . 0 0 "[ . 1 . 2]" 1
805 1 49 ASP HA 1 50 GLN QG 3.570 . 5.340 4.255 3.837 5.456 0.116 9 0 "[ . 1 . 2]" 1
806 1 49 ASP HA 1 51 GLN H 2.935 . 4.070 3.924 3.724 4.097 0.027 16 0 "[ . 1 . 2]" 1
807 1 49 ASP HA 1 52 VAL QG 3.240 . 4.680 4.258 3.457 4.436 . 0 0 "[ . 1 . 2]" 1
808 1 49 ASP HB2 1 50 GLN H 3.170 . 4.540 4.174 3.932 4.352 . 0 0 "[ . 1 . 2]" 1
809 1 49 ASP HB2 1 52 VAL H 2.985 . 4.170 3.702 2.666 4.020 . 0 0 "[ . 1 . 2]" 1
810 1 49 ASP HB2 1 52 VAL HB 2.945 . 4.090 3.455 2.976 4.347 0.257 19 0 "[ . 1 . 2]" 1
811 1 49 ASP HB2 1 52 VAL MG1 3.005 . 4.210 4.110 2.296 4.354 0.144 10 0 "[ . 1 . 2]" 1
812 1 49 ASP HB2 1 52 VAL QG 2.585 . 3.370 2.601 1.959 2.802 . 0 0 "[ . 1 . 2]" 1
813 1 49 ASP HB2 1 52 VAL MG2 3.005 . 4.210 2.651 1.963 2.839 . 0 0 "[ . 1 . 2]" 1
814 1 49 ASP HB2 1 53 PHE H 3.525 . 5.250 5.084 4.351 5.273 0.023 12 0 "[ . 1 . 2]" 1
815 1 49 ASP HB3 1 50 GLN H 2.940 . 4.080 3.606 2.918 3.868 . 0 0 "[ . 1 . 2]" 1
816 1 49 ASP HB3 1 51 GLN H 2.630 . 3.460 3.241 2.704 3.489 0.029 4 0 "[ . 1 . 2]" 1
817 1 49 ASP HB3 1 52 VAL H 2.875 . 3.950 2.115 1.704 3.040 0.096 19 0 "[ . 1 . 2]" 1
818 1 49 ASP HB3 1 52 VAL HB 3.055 . 4.310 2.477 1.951 4.336 0.026 15 0 "[ . 1 . 2]" 1
819 1 49 ASP HB3 1 52 VAL QG 2.655 . 3.510 2.024 1.756 3.117 0.044 9 0 "[ . 1 . 2]" 1
820 1 49 ASP HB3 1 53 PHE H 3.605 . 5.410 3.644 3.314 4.879 . 0 0 "[ . 1 . 2]" 1
821 1 50 GLN H 1 50 GLN HB2 2.720 . 3.640 2.827 2.221 3.682 0.042 15 0 "[ . 1 . 2]" 1
822 1 50 GLN H 1 50 GLN QB 2.425 . 3.050 2.405 2.199 2.595 . 0 0 "[ . 1 . 2]" 1
823 1 50 GLN H 1 50 GLN HB3 2.720 . 3.640 3.170 2.453 3.670 0.030 5 0 "[ . 1 . 2]" 1
824 1 50 GLN H 1 50 GLN QE 3.570 . 5.340 4.669 4.110 5.346 0.006 9 0 "[ . 1 . 2]" 1
825 1 50 GLN H 1 50 GLN HG2 3.260 . 4.720 2.964 2.393 4.460 . 0 0 "[ . 1 . 2]" 1
826 1 50 GLN H 1 50 GLN QG 2.890 . 3.980 2.670 2.179 3.892 . 0 0 "[ . 1 . 2]" 1
827 1 50 GLN H 1 50 GLN HG3 3.260 . 4.720 3.501 2.198 4.289 . 0 0 "[ . 1 . 2]" 1
828 1 50 GLN H 1 51 GLN H 2.495 . 3.190 2.658 2.501 2.795 . 0 0 "[ . 1 . 2]" 1
829 1 50 GLN H 1 51 GLN QB 3.295 . 4.790 4.765 4.515 4.855 0.065 16 0 "[ . 1 . 2]" 1
830 1 50 GLN H 1 52 VAL H 3.080 . 4.360 4.078 3.940 4.195 . 0 0 "[ . 1 . 2]" 1
831 1 50 GLN H 1 53 PHE H 3.240 . 4.680 4.615 4.496 4.711 0.031 11 0 "[ . 1 . 2]" 1
832 1 50 GLN HA 1 50 GLN QG 2.645 . 3.490 2.864 2.246 3.529 0.039 18 0 "[ . 1 . 2]" 1
833 1 50 GLN HA 1 52 VAL H 3.165 . 4.530 4.250 4.019 4.474 . 0 0 "[ . 1 . 2]" 1
834 1 50 GLN HA 1 53 PHE H 2.890 . 3.980 3.347 3.104 3.636 . 0 0 "[ . 1 . 2]" 1
835 1 50 GLN HA 1 53 PHE HB2 3.065 . 4.330 3.457 3.015 3.876 . 0 0 "[ . 1 . 2]" 1
836 1 50 GLN HA 1 53 PHE HB3 2.685 . 3.570 2.370 2.080 2.752 . 0 0 "[ . 1 . 2]" 1
837 1 50 GLN HA 1 53 PHE QD 2.780 . 3.760 3.513 3.241 3.785 0.025 17 0 "[ . 1 . 2]" 1
838 1 50 GLN HA 1 54 GLU H 2.980 . 4.160 3.804 3.542 4.121 . 0 0 "[ . 1 . 2]" 1
839 1 50 GLN HA 1 54 GLU QG 2.990 . 4.180 3.815 3.212 4.195 0.015 13 0 "[ . 1 . 2]" 1
840 1 50 GLN QB 1 50 GLN QE 3.170 . 4.540 2.209 1.756 2.783 0.044 15 0 "[ . 1 . 2]" 1
841 1 50 GLN QB 1 51 GLN H 2.585 . 3.370 3.019 2.675 3.502 0.132 10 0 "[ . 1 . 2]" 1
842 1 50 GLN HB2 1 51 GLN H 2.890 . 3.980 3.328 2.783 3.994 0.014 18 0 "[ . 1 . 2]" 1
843 1 50 GLN HB3 1 51 GLN H 2.890 . 3.980 3.620 2.848 4.037 0.057 14 0 "[ . 1 . 2]" 1
844 1 50 GLN QE 1 54 GLU QG 2.595 . 3.390 2.798 2.396 3.315 . 0 0 "[ . 1 . 2]" 1
845 1 50 GLN HE21 1 54 GLU HG2 3.130 . 4.460 3.437 2.497 4.498 0.038 5 0 "[ . 1 . 2]" 1
846 1 50 GLN HE21 1 54 GLU HG3 3.130 . 4.460 3.457 2.700 4.148 . 0 0 "[ . 1 . 2]" 1
847 1 50 GLN HE22 1 54 GLU HG2 3.130 . 4.460 4.093 3.116 4.546 0.086 10 0 "[ . 1 . 2]" 1
848 1 50 GLN HE22 1 54 GLU HG3 3.130 . 4.460 4.136 2.860 4.511 0.051 2 0 "[ . 1 . 2]" 1
849 1 50 GLN QG 1 51 GLN H 3.100 . 4.400 3.592 2.039 4.409 0.009 6 0 "[ . 1 . 2]" 1
850 1 50 GLN HG2 1 51 GLN H 3.465 . 5.130 4.225 3.014 4.804 . 0 0 "[ . 1 . 2]" 1
851 1 50 GLN HG3 1 51 GLN H 3.465 . 5.130 4.145 2.066 5.161 0.031 5 0 "[ . 1 . 2]" 1
852 1 51 GLN H 1 51 GLN QB 2.400 . 3.000 2.462 2.264 2.596 . 0 0 "[ . 1 . 2]" 1
853 1 51 GLN H 1 51 GLN QG 2.540 . 3.280 2.308 1.987 2.644 . 0 0 "[ . 1 . 2]" 1
854 1 51 GLN H 1 52 VAL H 2.385 . 2.970 2.501 2.358 2.717 . 0 0 "[ . 1 . 2]" 1
855 1 51 GLN H 1 52 VAL QG 3.070 . 4.340 3.886 3.630 4.138 . 0 0 "[ . 1 . 2]" 1
856 1 51 GLN H 1 53 PHE H 3.000 . 4.200 3.859 3.778 3.976 . 0 0 "[ . 1 . 2]" 1
857 1 51 GLN H 1 54 GLU H 3.105 . 4.410 4.465 4.374 4.536 0.126 17 0 "[ . 1 . 2]" 1
858 1 51 GLN HA 1 51 GLN HG2 2.880 . 3.960 3.009 2.472 3.869 . 0 0 "[ . 1 . 2]" 1
859 1 51 GLN HA 1 51 GLN QG 2.610 . 3.420 2.805 2.365 3.375 . 0 0 "[ . 1 . 2]" 1
860 1 51 GLN HA 1 51 GLN HG3 2.880 . 3.960 3.426 2.961 3.824 . 0 0 "[ . 1 . 2]" 1
861 1 51 GLN HA 1 54 GLU H 2.800 . 3.800 3.224 2.938 3.580 . 0 0 "[ . 1 . 2]" 1
862 1 51 GLN HA 1 54 GLU HB2 2.735 . 3.670 2.591 2.259 3.051 . 0 0 "[ . 1 . 2]" 1
863 1 51 GLN QB 1 52 VAL H 2.735 . 3.670 2.934 2.363 3.613 . 0 0 "[ . 1 . 2]" 1
864 1 51 GLN HB2 1 52 VAL H 3.005 . 4.210 3.096 2.396 4.092 . 0 0 "[ . 1 . 2]" 1
865 1 51 GLN HB3 1 52 VAL H 3.005 . 4.210 3.835 3.602 4.034 . 0 0 "[ . 1 . 2]" 1
866 1 51 GLN QG 1 52 VAL H 3.110 . 4.420 3.684 2.243 4.419 . 0 0 "[ . 1 . 2]" 1
867 1 52 VAL H 1 52 VAL MG1 2.805 . 3.810 3.583 2.292 3.773 . 0 0 "[ . 1 . 2]" 1
868 1 52 VAL H 1 52 VAL QG 2.420 . 3.040 2.194 2.065 2.408 . 0 0 "[ . 1 . 2]" 1
869 1 52 VAL H 1 52 VAL MG2 2.805 . 3.810 2.235 2.126 2.440 . 0 0 "[ . 1 . 2]" 1
870 1 52 VAL H 1 53 PHE H 2.525 . 3.250 2.393 2.229 2.531 . 0 0 "[ . 1 . 2]" 1
871 1 52 VAL H 1 53 PHE HA 3.585 . 5.370 5.052 4.896 5.171 . 0 0 "[ . 1 . 2]" 1
872 1 52 VAL H 1 53 PHE HB3 3.390 . 4.980 4.454 4.219 4.614 . 0 0 "[ . 1 . 2]" 1
873 1 52 VAL H 1 54 GLU H 2.915 . 4.030 3.955 3.648 4.053 0.023 9 0 "[ . 1 . 2]" 1
874 1 52 VAL H 1 55 ARG H 3.395 . 4.990 4.732 4.553 4.890 . 0 0 "[ . 1 . 2]" 1
875 1 52 VAL HA 1 52 VAL MG1 2.545 . 3.290 2.499 2.457 2.558 . 0 0 "[ . 1 . 2]" 1
876 1 52 VAL HA 1 52 VAL QG 2.330 . 2.860 2.181 2.129 2.408 . 0 0 "[ . 1 . 2]" 1
877 1 52 VAL HA 1 52 VAL MG2 2.545 . 3.290 2.446 2.300 3.253 . 0 0 "[ . 1 . 2]" 1
878 1 52 VAL HA 1 54 GLU H 3.235 . 4.670 4.492 4.192 4.692 0.022 5 0 "[ . 1 . 2]" 1
879 1 52 VAL HA 1 55 ARG H 2.905 . 4.010 3.588 3.326 3.948 . 0 0 "[ . 1 . 2]" 1
880 1 52 VAL HA 1 55 ARG HB2 2.810 . 3.820 2.853 2.482 3.250 . 0 0 "[ . 1 . 2]" 1
881 1 52 VAL HA 1 55 ARG QD 3.000 . 4.200 3.373 2.325 4.237 0.037 17 0 "[ . 1 . 2]" 1
882 1 52 VAL HB 1 53 PHE H 2.955 . 4.110 2.817 2.503 3.995 . 0 0 "[ . 1 . 2]" 1
883 1 52 VAL HB 1 53 PHE HA 3.170 . 4.540 4.449 4.223 4.637 0.097 9 0 "[ . 1 . 2]" 1
884 1 52 VAL QG 1 53 PHE H 2.690 . 3.580 3.137 2.311 3.335 . 0 0 "[ . 1 . 2]" 1
885 1 52 VAL QG 1 53 PHE HA 3.000 . 4.200 3.515 3.185 3.717 . 0 0 "[ . 1 . 2]" 1
886 1 52 VAL MG1 1 53 PHE H 2.950 . 4.100 3.518 3.199 3.912 . 0 0 "[ . 1 . 2]" 1
887 1 52 VAL MG2 1 53 PHE H 2.950 . 4.100 3.685 2.328 3.898 . 0 0 "[ . 1 . 2]" 1
888 1 53 PHE H 1 53 PHE HB2 2.725 . 3.650 2.648 2.482 2.760 . 0 0 "[ . 1 . 2]" 1
889 1 53 PHE H 1 53 PHE HB3 2.685 . 3.570 2.391 2.294 2.483 . 0 0 "[ . 1 . 2]" 1
890 1 53 PHE H 1 53 PHE QD 3.380 . 4.960 4.153 4.112 4.193 . 0 0 "[ . 1 . 2]" 1
891 1 53 PHE H 1 54 GLU H 2.575 . 3.350 2.621 2.537 2.731 . 0 0 "[ . 1 . 2]" 1
892 1 53 PHE H 1 54 GLU HB2 3.450 . 5.100 4.768 4.473 4.987 . 0 0 "[ . 1 . 2]" 1
893 1 53 PHE H 1 54 GLU QG 3.300 . 4.800 4.428 4.168 4.750 . 0 0 "[ . 1 . 2]" 1
894 1 53 PHE H 1 55 ARG H 2.915 . 4.030 4.061 3.947 4.093 0.063 13 0 "[ . 1 . 2]" 1
895 1 53 PHE HA 1 53 PHE QD 2.605 . 3.410 2.606 2.403 2.763 . 0 0 "[ . 1 . 2]" 1
896 1 53 PHE HA 1 55 ARG H 3.380 . 4.960 4.342 3.864 4.634 . 0 0 "[ . 1 . 2]" 1
897 1 53 PHE HA 1 56 HIS H 2.840 . 3.880 3.348 2.998 3.640 . 0 0 "[ . 1 . 2]" 1
898 1 53 PHE HA 1 56 HIS HB2 2.905 . 4.010 3.464 3.080 3.857 . 0 0 "[ . 1 . 2]" 1
899 1 53 PHE HA 1 56 HIS QB 2.625 . 3.450 2.493 2.176 2.719 . 0 0 "[ . 1 . 2]" 1
900 1 53 PHE HA 1 56 HIS HB3 2.905 . 4.010 2.560 2.214 2.843 . 0 0 "[ . 1 . 2]" 1
901 1 53 PHE HA 1 57 VAL MG2 3.135 . 4.470 3.909 3.583 4.233 . 0 0 "[ . 1 . 2]" 1
902 1 53 PHE HB2 1 54 GLU H 3.015 . 4.230 3.951 3.848 4.103 . 0 0 "[ . 1 . 2]" 1
903 1 53 PHE HB3 1 54 GLU H 2.710 . 3.620 2.623 2.471 2.864 . 0 0 "[ . 1 . 2]" 1
904 1 53 PHE QD 1 54 GLU H 2.915 . 4.030 3.520 3.211 3.827 . 0 0 "[ . 1 . 2]" 1
905 1 53 PHE QD 1 54 GLU HA 3.185 . 4.570 3.773 3.581 4.106 . 0 0 "[ . 1 . 2]" 1
906 1 53 PHE QD 1 54 GLU QG 3.130 . 4.460 3.358 2.767 4.146 . 0 0 "[ . 1 . 2]" 1
907 1 53 PHE QD 1 56 HIS QB 3.395 . 4.990 3.558 3.002 4.080 . 0 0 "[ . 1 . 2]" 1
908 1 53 PHE QD 1 57 VAL MG2 2.895 . 3.990 3.275 2.984 3.488 . 0 0 "[ . 1 . 2]" 1
909 1 53 PHE QE 1 57 VAL MG1 3.415 . 5.030 4.397 3.900 4.736 . 0 0 "[ . 1 . 2]" 1
910 1 53 PHE QE 1 57 VAL MG2 2.815 . 3.830 2.832 2.482 3.152 . 0 0 "[ . 1 . 2]" 1
911 1 53 PHE HZ 1 57 VAL MG2 2.960 . 4.120 3.032 2.767 3.419 . 0 0 "[ . 1 . 2]" 1
912 1 54 GLU H 1 54 GLU HB2 2.590 . 3.380 2.483 2.312 2.610 . 0 0 "[ . 1 . 2]" 1
913 1 54 GLU H 1 54 GLU HB3 2.725 . 3.650 3.614 3.542 3.652 0.002 20 0 "[ . 1 . 2]" 1
914 1 54 GLU H 1 54 GLU HG2 3.005 . 4.210 2.781 2.234 3.614 . 0 0 "[ . 1 . 2]" 1
915 1 54 GLU H 1 54 GLU QG 2.595 . 3.390 2.370 2.164 2.547 . 0 0 "[ . 1 . 2]" 1
916 1 54 GLU H 1 54 GLU HG3 3.005 . 4.210 3.256 2.195 3.873 . 0 0 "[ . 1 . 2]" 1
917 1 54 GLU H 1 55 ARG H 2.500 . 3.200 2.693 2.617 2.768 . 0 0 "[ . 1 . 2]" 1
918 1 54 GLU H 1 55 ARG HB2 3.235 . 4.670 4.658 4.433 4.725 0.055 13 0 "[ . 1 . 2]" 1
919 1 54 GLU H 1 55 ARG QD 3.570 . 5.340 4.382 3.906 5.325 . 0 0 "[ . 1 . 2]" 1
920 1 54 GLU H 1 56 HIS H 3.100 . 4.400 4.128 3.945 4.257 . 0 0 "[ . 1 . 2]" 1
921 1 54 GLU H 1 57 VAL H 3.285 . 4.770 4.712 4.596 4.773 0.003 13 0 "[ . 1 . 2]" 1
922 1 54 GLU HA 1 54 GLU HG2 2.755 . 3.710 2.838 2.456 3.313 . 0 0 "[ . 1 . 2]" 1
923 1 54 GLU HA 1 54 GLU QG 2.505 . 3.210 2.717 2.377 3.097 . 0 0 "[ . 1 . 2]" 1
924 1 54 GLU HA 1 54 GLU HG3 2.755 . 3.710 3.509 2.991 3.757 0.047 15 0 "[ . 1 . 2]" 1
925 1 54 GLU HA 1 56 HIS H 3.140 . 4.480 4.326 4.024 4.479 . 0 0 "[ . 1 . 2]" 1
926 1 54 GLU HA 1 57 VAL H 2.855 . 3.910 3.297 3.073 3.472 . 0 0 "[ . 1 . 2]" 1
927 1 54 GLU HA 1 57 VAL HB 2.995 . 4.190 2.752 2.539 2.871 . 0 0 "[ . 1 . 2]" 1
928 1 54 GLU HA 1 57 VAL MG1 3.000 . 4.200 4.155 3.980 4.262 0.062 5 0 "[ . 1 . 2]" 1
929 1 54 GLU HA 1 57 VAL MG2 2.750 . 3.700 3.058 2.359 3.473 . 0 0 "[ . 1 . 2]" 1
930 1 54 GLU HA 1 58 GLN H 3.150 . 4.500 3.900 3.502 4.292 . 0 0 "[ . 1 . 2]" 1
931 1 54 GLU HB2 1 55 ARG H 2.395 . 2.990 2.675 2.440 2.936 . 0 0 "[ . 1 . 2]" 1
932 1 54 GLU HB2 1 55 ARG QD 3.085 . 4.370 3.278 2.523 4.503 0.133 7 0 "[ . 1 . 2]" 1
933 1 55 ARG H 1 55 ARG HB2 2.525 . 3.250 2.246 1.976 2.339 . 0 0 "[ . 1 . 2]" 1
934 1 55 ARG H 1 55 ARG HB3 2.760 . 3.720 3.530 3.088 3.606 . 0 0 "[ . 1 . 2]" 1
935 1 55 ARG H 1 55 ARG QD 2.720 . 3.640 2.588 2.256 3.363 . 0 0 "[ . 1 . 2]" 1
936 1 55 ARG H 1 55 ARG QG 2.840 . 3.880 3.460 2.198 3.908 0.028 10 0 "[ . 1 . 2]" 1
937 1 55 ARG H 1 56 HIS H 2.460 . 3.120 2.630 2.504 2.777 . 0 0 "[ . 1 . 2]" 1
938 1 55 ARG HA 1 55 ARG QD 3.090 . 4.380 2.679 1.959 4.100 . 0 0 "[ . 1 . 2]" 1
939 1 55 ARG HA 1 55 ARG HG2 2.855 . 3.910 3.511 2.633 3.726 . 0 0 "[ . 1 . 2]" 1
940 1 55 ARG HA 1 55 ARG QG 2.615 . 3.430 2.468 2.353 2.666 . 0 0 "[ . 1 . 2]" 1
941 1 55 ARG HA 1 55 ARG HG3 2.855 . 3.910 2.552 2.432 2.731 . 0 0 "[ . 1 . 2]" 1
942 1 55 ARG HA 1 57 VAL H 3.120 . 4.440 4.361 4.126 4.484 0.044 4 0 "[ . 1 . 2]" 1
943 1 55 ARG HA 1 58 GLN H 2.775 . 3.750 3.467 3.153 3.807 0.057 20 0 "[ . 1 . 2]" 1
944 1 55 ARG HA 1 58 GLN HB2 2.575 . 3.350 2.503 2.101 3.062 . 0 0 "[ . 1 . 2]" 1
945 1 55 ARG HB2 1 56 HIS H 2.845 . 3.890 2.866 2.642 3.140 . 0 0 "[ . 1 . 2]" 1
946 1 55 ARG HB2 1 57 VAL H 3.515 . 5.230 5.229 5.088 5.308 0.078 10 0 "[ . 1 . 2]" 1
947 1 55 ARG HB3 1 56 HIS H 2.870 . 3.940 3.351 2.623 3.746 . 0 0 "[ . 1 . 2]" 1
948 1 55 ARG QD 1 56 HIS H 3.235 . 4.670 4.407 4.170 4.717 0.047 12 0 "[ . 1 . 2]" 1
949 1 55 ARG QG 1 56 HIS H 3.520 . 5.240 4.512 4.160 4.770 . 0 0 "[ . 1 . 2]" 1
950 1 56 HIS H 1 56 HIS HB2 2.635 . 3.470 2.719 2.612 2.869 . 0 0 "[ . 1 . 2]" 1
951 1 56 HIS H 1 56 HIS QB 2.420 . 3.040 2.238 2.200 2.351 . 0 0 "[ . 1 . 2]" 1
952 1 56 HIS H 1 56 HIS HB3 2.635 . 3.470 2.390 2.287 2.588 . 0 0 "[ . 1 . 2]" 1
953 1 56 HIS H 1 57 VAL H 2.475 . 3.150 2.699 2.326 2.845 . 0 0 "[ . 1 . 2]" 1
954 1 56 HIS H 1 57 VAL MG2 3.210 . 4.620 4.144 3.777 4.371 . 0 0 "[ . 1 . 2]" 1
955 1 56 HIS H 1 58 GLN H 2.995 . 4.190 4.089 3.874 4.204 0.014 10 0 "[ . 1 . 2]" 1
956 1 56 HIS H 1 59 THR MG 3.455 . 5.110 4.563 4.146 4.789 . 0 0 "[ . 1 . 2]" 1
957 1 56 HIS HA 1 57 VAL MG2 3.650 . 5.500 4.895 4.746 5.002 . 0 0 "[ . 1 . 2]" 1
958 1 56 HIS HA 1 58 GLN H 3.455 . 5.110 4.456 4.055 4.617 . 0 0 "[ . 1 . 2]" 1
959 1 56 HIS HA 1 59 THR H 2.990 . 4.180 3.602 2.894 4.126 . 0 0 "[ . 1 . 2]" 1
960 1 56 HIS HA 1 59 THR MG 2.590 . 3.380 2.958 1.882 3.429 0.049 8 0 "[ . 1 . 2]" 1
961 1 56 HIS QB 1 57 VAL H 2.695 . 3.590 2.598 2.505 2.824 . 0 0 "[ . 1 . 2]" 1
962 1 56 HIS HB2 1 57 VAL H 3.010 . 4.220 3.957 3.913 4.068 . 0 0 "[ . 1 . 2]" 1
963 1 56 HIS HB3 1 57 VAL H 3.010 . 4.220 2.634 2.535 2.880 . 0 0 "[ . 1 . 2]" 1
964 1 56 HIS HD2 1 57 VAL H 3.010 . 4.220 3.641 3.342 3.853 . 0 0 "[ . 1 . 2]" 1
965 1 56 HIS HD2 1 57 VAL HA 2.685 . 3.570 3.504 3.114 3.605 0.035 12 0 "[ . 1 . 2]" 1
966 1 56 HIS HD2 1 57 VAL MG1 3.375 . 4.950 4.685 4.405 4.906 . 0 0 "[ . 1 . 2]" 1
967 1 56 HIS HD2 1 57 VAL MG2 2.710 . 3.620 2.656 2.175 3.642 0.022 2 0 "[ . 1 . 2]" 1
968 1 57 VAL H 1 57 VAL HB 2.570 . 3.340 2.496 2.431 2.584 . 0 0 "[ . 1 . 2]" 1
969 1 57 VAL H 1 57 VAL MG1 2.950 . 4.100 3.772 3.746 3.796 . 0 0 "[ . 1 . 2]" 1
970 1 57 VAL H 1 57 VAL MG2 2.430 . 3.060 2.155 2.048 2.212 . 0 0 "[ . 1 . 2]" 1
971 1 57 VAL H 1 58 GLN H 2.565 . 3.330 2.489 2.461 2.515 . 0 0 "[ . 1 . 2]" 1
972 1 57 VAL H 1 58 GLN HA 3.425 . 5.050 5.086 5.056 5.110 0.060 1 0 "[ . 1 . 2]" 1
973 1 57 VAL H 1 58 GLN HB2 3.070 . 4.340 4.402 4.369 4.433 0.093 18 0 "[ . 1 . 2]" 1
974 1 57 VAL H 1 58 GLN HG2 3.345 . 4.890 4.551 4.355 4.767 . 0 0 "[ . 1 . 2]" 1
975 1 57 VAL H 1 59 THR H 3.095 . 4.390 4.037 3.894 4.129 . 0 0 "[ . 1 . 2]" 1
976 1 57 VAL H 1 60 HIS HD2 3.265 . 4.730 4.343 3.923 4.511 . 0 0 "[ . 1 . 2]" 1
977 1 57 VAL HA 1 57 VAL MG1 2.595 . 3.390 2.437 2.392 2.475 . 0 0 "[ . 1 . 2]" 1
978 1 57 VAL HA 1 57 VAL MG2 2.515 . 3.230 2.344 2.266 2.402 . 0 0 "[ . 1 . 2]" 1
979 1 57 VAL HA 1 58 GLN HA 3.315 . 4.830 4.696 4.536 4.810 . 0 0 "[ . 1 . 2]" 1
980 1 57 VAL HA 1 59 THR H 3.445 . 5.090 4.102 3.783 4.379 . 0 0 "[ . 1 . 2]" 1
981 1 57 VAL HA 1 60 HIS H 3.005 . 4.210 3.646 3.471 3.915 . 0 0 "[ . 1 . 2]" 1
982 1 57 VAL HA 1 60 HIS HD2 2.495 . 3.190 2.515 1.797 2.768 0.003 15 0 "[ . 1 . 2]" 1
983 1 57 VAL HB 1 58 GLN H 2.505 . 3.210 2.635 2.558 2.758 . 0 0 "[ . 1 . 2]" 1
984 1 57 VAL HB 1 58 GLN HG2 2.870 . 3.940 3.477 2.997 3.823 . 0 0 "[ . 1 . 2]" 1
985 1 57 VAL HB 1 59 THR H 3.425 . 5.050 5.034 4.895 5.092 0.042 4 0 "[ . 1 . 2]" 1
986 1 57 VAL MG1 1 58 GLN H 2.905 . 4.010 3.465 3.380 3.585 . 0 0 "[ . 1 . 2]" 1
987 1 57 VAL MG1 1 58 GLN HA 2.915 . 4.030 3.445 3.225 3.673 . 0 0 "[ . 1 . 2]" 1
988 1 57 VAL MG1 1 58 GLN HE21 3.125 . 4.450 2.913 2.132 4.488 0.038 4 0 "[ . 1 . 2]" 1
989 1 57 VAL MG1 1 60 HIS HD2 3.220 . 4.640 4.286 3.620 4.589 . 0 0 "[ . 1 . 2]" 1
990 1 57 VAL MG1 1 61 PHE QD 2.645 . 3.490 2.666 2.237 3.291 . 0 0 "[ . 1 . 2]" 1
991 1 57 VAL MG1 1 61 PHE QE 2.650 . 3.500 2.141 1.877 2.786 . 0 0 "[ . 1 . 2]" 1
992 1 57 VAL MG2 1 58 GLN H 2.805 . 3.810 3.788 3.706 3.843 0.033 20 0 "[ . 1 . 2]" 1
993 1 57 VAL MG2 1 59 THR H 3.620 . 5.440 5.259 5.113 5.374 . 0 0 "[ . 1 . 2]" 1
994 1 57 VAL MG2 1 60 HIS HD2 3.100 . 4.400 4.288 3.421 4.463 0.063 19 0 "[ . 1 . 2]" 1
995 1 58 GLN H 1 58 GLN HB2 2.405 . 3.010 2.230 2.176 2.291 . 0 0 "[ . 1 . 2]" 1
996 1 58 GLN H 1 58 GLN HG2 2.755 . 3.710 2.558 2.447 2.667 . 0 0 "[ . 1 . 2]" 1
997 1 58 GLN H 1 58 GLN HG3 3.070 . 4.340 3.787 3.668 3.911 . 0 0 "[ . 1 . 2]" 1
998 1 58 GLN H 1 59 THR H 2.520 . 3.240 2.735 2.602 2.823 . 0 0 "[ . 1 . 2]" 1
999 1 58 GLN H 1 59 THR HA 3.650 . 5.500 5.244 5.082 5.366 . 0 0 "[ . 1 . 2]" 1
1000 1 58 GLN H 1 59 THR MG 3.485 . 5.170 4.264 3.998 4.416 . 0 0 "[ . 1 . 2]" 1
1001 1 58 GLN H 1 60 HIS H 3.170 . 4.540 4.265 4.032 4.567 0.027 18 0 "[ . 1 . 2]" 1
1002 1 58 GLN H 1 61 PHE QD 3.580 . 5.360 4.531 4.195 5.393 0.033 16 0 "[ . 1 . 2]" 1
1003 1 58 GLN HA 1 58 GLN HE22 2.910 . 4.020 3.049 2.916 3.275 . 0 0 "[ . 1 . 2]" 1
1004 1 58 GLN HA 1 58 GLN HG2 2.790 . 3.780 2.817 2.655 2.928 . 0 0 "[ . 1 . 2]" 1
1005 1 58 GLN HA 1 60 HIS H 3.200 . 4.600 4.062 3.716 4.577 . 0 0 "[ . 1 . 2]" 1
1006 1 58 GLN HA 1 61 PHE H 2.890 . 3.980 3.221 2.955 3.426 . 0 0 "[ . 1 . 2]" 1
1007 1 58 GLN HA 1 61 PHE HB2 3.125 . 4.450 2.630 2.168 2.887 . 0 0 "[ . 1 . 2]" 1
1008 1 58 GLN HA 1 61 PHE QB 2.780 . 3.760 2.607 2.153 2.856 . 0 0 "[ . 1 . 2]" 1
1009 1 58 GLN HA 1 61 PHE HB3 3.125 . 4.450 4.291 3.670 4.521 0.071 4 0 "[ . 1 . 2]" 1
1010 1 58 GLN HA 1 61 PHE QD 2.705 . 3.610 2.715 2.045 3.645 0.035 10 0 "[ . 1 . 2]" 1
1011 1 58 GLN HA 1 61 PHE QE 3.410 . 5.020 4.669 4.060 5.128 0.108 18 0 "[ . 1 . 2]" 1
1012 1 58 GLN HB2 1 59 THR H 2.970 . 4.140 3.094 2.801 3.401 . 0 0 "[ . 1 . 2]" 1
1013 1 58 GLN HB2 1 59 THR HA 3.355 . 4.910 4.643 4.549 4.773 . 0 0 "[ . 1 . 2]" 1
1014 1 58 GLN HB2 1 59 THR MG 3.565 . 5.330 3.970 3.442 4.877 . 0 0 "[ . 1 . 2]" 1
1015 1 58 GLN HB3 1 58 GLN HE22 3.360 . 4.920 4.321 3.669 4.509 . 0 0 "[ . 1 . 2]" 1
1016 1 58 GLN HB3 1 59 THR HA 3.140 . 4.480 4.244 4.048 4.428 . 0 0 "[ . 1 . 2]" 1
1017 1 58 GLN HB3 1 59 THR MG 3.650 . 5.500 4.483 3.908 5.553 0.053 15 0 "[ . 1 . 2]" 1
1018 1 58 GLN HE21 1 61 PHE H 3.315 . 4.830 4.783 3.903 4.905 0.075 10 0 "[ . 1 . 2]" 1
1019 1 58 GLN HE21 1 61 PHE QB 3.150 . 4.500 3.479 2.377 3.995 . 0 0 "[ . 1 . 2]" 1
1020 1 58 GLN HE21 1 61 PHE QD 3.125 . 4.450 2.943 2.207 3.726 . 0 0 "[ . 1 . 2]" 1
1021 1 58 GLN HE22 1 58 GLN HG3 2.935 . 4.070 4.050 4.031 4.072 0.002 4 0 "[ . 1 . 2]" 1
1022 1 58 GLN HE22 1 61 PHE QB 2.875 . 3.950 3.259 2.931 3.624 . 0 0 "[ . 1 . 2]" 1
1023 1 59 THR H 1 59 THR HB 2.815 . 3.830 3.495 2.594 3.710 . 0 0 "[ . 1 . 2]" 1
1024 1 59 THR H 1 59 THR MG 2.495 . 3.190 2.331 2.156 2.674 . 0 0 "[ . 1 . 2]" 1
1025 1 59 THR H 1 60 HIS H 2.500 . 3.200 2.522 2.278 2.719 . 0 0 "[ . 1 . 2]" 1
1026 1 59 THR H 1 62 ASP H 3.050 . 4.300 4.423 4.381 4.506 0.206 14 0 "[ . 1 . 2]" 1
1027 1 59 THR H 1 62 ASP HB2 3.505 . 5.210 4.987 4.651 5.256 0.046 10 0 "[ . 1 . 2]" 1
1028 1 59 THR HA 1 59 THR MG 2.505 . 3.210 2.512 2.251 3.225 0.015 10 0 "[ . 1 . 2]" 1
1029 1 59 THR HA 1 62 ASP H 2.775 . 3.750 2.977 2.761 3.300 . 0 0 "[ . 1 . 2]" 1
1030 1 59 THR HA 1 62 ASP HB2 2.955 . 4.110 2.972 2.362 3.688 . 0 0 "[ . 1 . 2]" 1
1031 1 59 THR HA 1 62 ASP HB3 3.135 . 4.470 2.317 1.903 3.927 . 0 0 "[ . 1 . 2]" 1
1032 1 59 THR HB 1 60 HIS H 3.025 . 4.250 3.977 3.575 4.265 0.015 13 0 "[ . 1 . 2]" 1
1033 1 59 THR MG 1 60 HIS H 2.955 . 4.110 3.729 2.434 4.125 0.015 11 0 "[ . 1 . 2]" 1
1034 1 59 THR MG 1 61 PHE H 3.495 . 5.190 5.065 4.282 5.267 0.077 9 0 "[ . 1 . 2]" 1
1035 1 60 HIS H 1 60 HIS HB2 2.645 . 3.490 2.733 2.379 3.600 0.110 16 0 "[ . 1 . 2]" 1
1036 1 60 HIS H 1 60 HIS HB3 2.720 . 3.640 3.533 3.201 3.653 0.013 8 0 "[ . 1 . 2]" 1
1037 1 60 HIS H 1 60 HIS HD2 2.730 . 3.660 2.253 1.775 3.042 0.025 14 0 "[ . 1 . 2]" 1
1038 1 60 HIS H 1 61 PHE H 2.405 . 3.010 2.428 2.279 2.639 . 0 0 "[ . 1 . 2]" 1
1039 1 60 HIS H 1 62 ASP H 3.055 . 4.310 3.712 3.453 3.937 . 0 0 "[ . 1 . 2]" 1
1040 1 60 HIS HA 1 60 HIS HD2 3.040 . 4.280 3.951 3.729 4.317 0.037 2 0 "[ . 1 . 2]" 1
1041 1 60 HIS HB2 1 61 PHE H 2.765 . 3.730 3.098 2.533 3.839 0.109 16 0 "[ . 1 . 2]" 1
1042 1 60 HIS HB2 1 61 PHE QD 3.070 . 4.340 3.835 2.962 4.382 0.042 18 0 "[ . 1 . 2]" 1
1043 1 60 HIS HB2 1 62 ASP H 3.475 . 5.150 4.959 4.630 5.234 0.084 10 0 "[ . 1 . 2]" 1
1044 1 61 PHE H 1 61 PHE HB2 2.815 . 3.830 2.372 2.298 2.433 . 0 0 "[ . 1 . 2]" 1
1045 1 61 PHE H 1 61 PHE QB 2.470 . 3.140 2.342 2.271 2.399 . 0 0 "[ . 1 . 2]" 1
1046 1 61 PHE H 1 61 PHE HB3 2.815 . 3.830 3.614 3.559 3.640 . 0 0 "[ . 1 . 2]" 1
1047 1 61 PHE H 1 61 PHE QD 2.750 . 3.700 2.771 2.388 3.207 . 0 0 "[ . 1 . 2]" 1
1048 1 61 PHE H 1 62 ASP H 2.400 . 3.000 2.233 2.021 2.346 . 0 0 "[ . 1 . 2]" 1
1049 1 61 PHE H 1 62 ASP HA 3.390 . 4.980 4.921 4.802 5.009 0.029 10 0 "[ . 1 . 2]" 1
1050 1 61 PHE H 1 62 ASP HB2 3.205 . 4.610 4.506 4.087 4.646 0.036 2 0 "[ . 1 . 2]" 1
1051 1 61 PHE H 1 63 GLN H 3.145 . 4.490 3.946 3.550 4.524 0.034 20 0 "[ . 1 . 2]" 1
1052 1 61 PHE HA 1 61 PHE QD 2.680 . 3.560 2.712 2.357 3.103 . 0 0 "[ . 1 . 2]" 1
1053 1 61 PHE HA 1 62 ASP H 2.625 . 3.450 3.435 3.333 3.488 0.038 11 0 "[ . 1 . 2]" 1
1054 1 61 PHE HB2 1 62 ASP H 2.910 . 4.020 2.961 2.720 3.297 . 0 0 "[ . 1 . 2]" 1
1055 1 61 PHE HB3 1 62 ASP H 2.910 . 4.020 3.756 3.478 4.003 . 0 0 "[ . 1 . 2]" 1
1056 1 61 PHE QD 1 62 ASP H 3.080 . 4.360 4.380 4.304 4.476 0.116 20 0 "[ . 1 . 2]" 1
1057 1 62 ASP H 1 62 ASP HB2 2.540 . 3.280 2.594 2.336 2.775 . 0 0 "[ . 1 . 2]" 1
1058 1 62 ASP H 1 62 ASP HB3 2.615 . 3.430 2.550 2.301 3.512 0.082 11 0 "[ . 1 . 2]" 1
1059 1 62 ASP H 1 63 GLN H 2.655 . 3.510 2.370 2.056 2.543 . 0 0 "[ . 1 . 2]" 1
1060 1 62 ASP H 1 63 GLN HA 3.105 . 4.410 4.448 4.262 4.553 0.143 20 0 "[ . 1 . 2]" 1
1061 1 62 ASP H 1 64 ASN H 3.315 . 4.830 4.614 4.011 4.913 0.083 6 0 "[ . 1 . 2]" 1
1062 1 62 ASP HA 1 63 GLN H 2.500 . 3.200 3.316 2.981 3.380 0.180 6 0 "[ . 1 . 2]" 1
1063 1 62 ASP HB2 1 63 GLN H 3.015 . 4.230 3.608 3.304 4.245 0.015 4 0 "[ . 1 . 2]" 1
1064 1 62 ASP HB3 1 63 GLN H 2.900 . 4.000 2.435 1.762 4.024 0.038 16 0 "[ . 1 . 2]" 1
1065 1 62 ASP HB3 1 63 GLN HA 3.080 . 4.360 4.129 3.459 4.435 0.075 16 0 "[ . 1 . 2]" 1
1066 1 62 ASP HB3 1 64 ASN H 2.850 . 3.900 3.093 2.428 4.160 0.260 14 0 "[ . 1 . 2]" 1
1067 1 63 GLN H 1 63 GLN HB2 2.950 . 4.100 3.438 2.950 4.093 . 0 0 "[ . 1 . 2]" 1
1068 1 63 GLN H 1 63 GLN QB 2.575 . 3.350 3.059 2.416 3.369 0.019 3 0 "[ . 1 . 2]" 1
1069 1 63 GLN H 1 63 GLN HB3 2.950 . 4.100 3.634 2.455 4.140 0.040 19 0 "[ . 1 . 2]" 1
1070 1 63 GLN H 1 63 GLN QE 3.310 . 4.820 4.522 3.330 4.996 0.176 16 0 "[ . 1 . 2]" 1
1071 1 63 GLN H 1 63 GLN HG2 3.460 . 5.120 3.676 2.096 5.167 0.047 6 0 "[ . 1 . 2]" 1
1072 1 63 GLN H 1 63 GLN QG 3.070 . 4.340 3.253 2.065 4.425 0.085 6 0 "[ . 1 . 2]" 1
1073 1 63 GLN H 1 63 GLN HG3 3.460 . 5.120 3.993 2.753 4.811 . 0 0 "[ . 1 . 2]" 1
1074 1 63 GLN H 1 64 ASN H 2.570 . 3.340 2.797 1.802 3.351 0.011 14 0 "[ . 1 . 2]" 1
1075 1 63 GLN H 1 65 VAL H 3.280 . 4.760 4.391 3.687 4.776 0.016 17 0 "[ . 1 . 2]" 1
1076 1 63 GLN HA 1 63 GLN QG 2.760 . 3.720 2.800 2.263 3.388 . 0 0 "[ . 1 . 2]" 1
1077 1 63 GLN HA 1 64 ASN H 2.660 . 3.520 3.036 2.266 3.448 . 0 0 "[ . 1 . 2]" 1
1078 1 63 GLN QB 1 64 ASN H 3.105 . 4.410 3.704 3.400 4.016 . 0 0 "[ . 1 . 2]" 1
1079 1 64 ASN H 1 64 ASN HB2 2.950 . 4.100 3.294 2.433 4.085 . 0 0 "[ . 1 . 2]" 1
1080 1 64 ASN H 1 64 ASN QB 2.655 . 3.510 2.939 2.310 3.446 . 0 0 "[ . 1 . 2]" 1
1081 1 64 ASN H 1 64 ASN HB3 2.950 . 4.100 3.532 2.432 4.125 0.025 17 0 "[ . 1 . 2]" 1
1082 1 64 ASN H 1 65 VAL H 2.635 . 3.470 2.397 1.809 2.925 . 0 0 "[ . 1 . 2]" 1
1083 1 64 ASN H 1 65 VAL QG 3.135 . 4.470 3.759 3.018 4.551 0.081 8 0 "[ . 1 . 2]" 1
1084 1 64 ASN HA 1 65 VAL QG 3.130 . 4.460 3.886 3.028 4.604 0.144 7 0 "[ . 1 . 2]" 1
1085 1 64 ASN HA 1 66 LEU H 3.650 . 5.500 4.133 2.671 5.629 0.129 19 0 "[ . 1 . 2]" 1
1086 1 64 ASN QB 1 64 ASN QD 2.480 . 3.160 2.236 2.085 2.762 . 0 0 "[ . 1 . 2]" 1
1087 1 65 VAL H 1 65 VAL HB 2.850 . 3.900 3.455 2.550 3.921 0.021 16 0 "[ . 1 . 2]" 1
1088 1 65 VAL H 1 65 VAL QG 2.930 . 4.060 2.327 1.829 3.212 . 0 0 "[ . 1 . 2]" 1
1089 1 65 VAL H 1 66 LEU H 2.565 . 3.330 2.694 1.939 3.351 0.021 7 0 "[ . 1 . 2]" 1
1090 1 65 VAL HA 1 65 VAL MG1 2.940 . 4.080 2.596 2.305 3.265 . 0 0 "[ . 1 . 2]" 1
1091 1 65 VAL HA 1 65 VAL MG2 2.940 . 4.080 2.756 2.382 3.241 . 0 0 "[ . 1 . 2]" 1
1092 1 65 VAL HA 1 66 LEU H 2.420 . 3.040 2.818 2.206 3.234 0.194 8 0 "[ . 1 . 2]" 1
1093 1 65 VAL QG 1 66 LEU H 3.160 . 4.520 3.201 2.336 3.777 . 0 0 "[ . 1 . 2]" 1
1094 1 65 VAL MG1 1 66 LEU H 3.610 . 5.420 3.837 2.368 4.340 . 0 0 "[ . 1 . 2]" 1
1095 1 65 VAL MG2 1 66 LEU H 3.610 . 5.420 3.690 2.681 4.332 . 0 0 "[ . 1 . 2]" 1
1096 1 66 LEU H 1 66 LEU HB2 2.915 . 4.030 3.024 2.415 3.931 . 0 0 "[ . 1 . 2]" 1
1097 1 66 LEU H 1 66 LEU HB3 2.915 . 4.030 3.321 2.421 4.072 0.042 18 0 "[ . 1 . 2]" 1
1098 1 66 LEU H 1 66 LEU QD 3.555 . 5.310 3.145 1.851 3.876 . 0 0 "[ . 1 . 2]" 1
1099 1 66 LEU H 1 66 LEU HG 3.105 . 4.410 3.491 2.145 4.445 0.035 13 0 "[ . 1 . 2]" 1
1100 1 66 LEU HA 1 66 LEU MD1 2.875 . 3.950 3.097 2.062 3.905 . 0 0 "[ . 1 . 2]" 1
1101 1 66 LEU HA 1 66 LEU MD2 2.875 . 3.950 3.226 2.063 4.050 0.100 7 0 "[ . 1 . 2]" 1
1102 1 66 LEU HA 1 67 ASN H 2.525 . 3.250 2.438 2.082 3.396 0.146 2 0 "[ . 1 . 2]" 1
1103 1 66 LEU HB2 1 67 ASN H 3.650 . 5.500 3.923 2.044 4.521 . 0 0 "[ . 1 . 2]" 1
1104 1 66 LEU HB3 1 67 ASN H 3.650 . 5.500 3.721 2.419 4.436 . 0 0 "[ . 1 . 2]" 1
1105 1 66 LEU QD 1 67 ASN H 3.620 . 5.440 3.636 2.681 4.421 . 0 0 "[ . 1 . 2]" 1
1106 1 66 LEU HG 1 67 ASN H 3.650 . 5.500 4.697 3.318 5.527 0.027 17 0 "[ . 1 . 2]" 1
1107 1 67 ASN H 1 67 ASN HB2 2.915 . 4.030 3.044 2.358 3.982 . 0 0 "[ . 1 . 2]" 1
1108 1 67 ASN H 1 67 ASN QB 2.620 . 3.440 2.615 2.174 3.389 . 0 0 "[ . 1 . 2]" 1
1109 1 67 ASN H 1 67 ASN HB3 2.915 . 4.030 3.035 2.306 4.085 0.055 16 0 "[ . 1 . 2]" 1
1110 1 68 PHE H 1 68 PHE QD 3.235 . 4.670 3.538 2.312 4.487 . 0 0 "[ . 1 . 2]" 1
1111 1 68 PHE H 1 69 ASP H 2.985 . 4.170 3.199 2.032 4.249 0.079 2 0 "[ . 1 . 2]" 1
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