NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
502673 |
2rra   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rra
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 1285
_Distance_constraint_stats_list.Viol_count 334
_Distance_constraint_stats_list.Viol_total 1711.662
_Distance_constraint_stats_list.Viol_max 0.746
_Distance_constraint_stats_list.Viol_rms 0.0387
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.2562
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ARG 0.191 0.046 17 0 "[ . 1 . 2]"
1 10 ALA 0.485 0.056 16 0 "[ . 1 . 2]"
1 11 ASN 0.780 0.117 17 0 "[ . 1 . 2]"
1 12 PRO 7.225 0.620 12 1 "[ . 1 + . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.054 0.036 14 0 "[ . 1 . 2]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PHE 2.889 0.317 7 0 "[ . 1 . 2]"
1 22 GLY 4.859 0.375 15 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.731 0.063 19 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TYR 0.731 0.063 19 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 VAL 10.160 0.604 14 15 "[** **** **-**+** *2]"
1 49 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PHE 2.458 0.333 3 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.054 0.036 14 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 0.003 0.002 12 0 "[ . 1 . 2]"
1 75 GLU 0.191 0.028 4 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ALA 0.003 0.002 12 0 "[ . 1 . 2]"
1 78 ASN 0.191 0.028 4 0 "[ . 1 . 2]"
1 79 GLY 9.098 0.740 9 12 "[ ***.**-+1 *** ** 2]"
1 80 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 9.098 0.740 9 12 "[ ***.**-+1 *** ** 2]"
1 87 ILE 0.216 0.031 19 0 "[ . 1 . 2]"
1 88 ARG 2.156 0.416 1 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASP 5.722 0.349 10 0 "[ . 1 . 2]"
1 91 PHE 4.842 0.415 18 0 "[ . 1 . 2]"
1 92 SER 5.850 0.362 13 0 "[ . 1 . 2]"
1 93 ILE 11.844 0.746 11 11 "[* - * ****+ . * **]"
1 94 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ARG 0.185 0.073 14 0 "[ . 1 . 2]"
1 97 PRO 2.731 0.572 16 4 "[ * . 1 - *+ 2]"
2 2 A 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 A 7.325 0.416 1 0 "[ . 1 . 2]"
2 4 G 24.104 0.651 5 20 [****+**********-****]
2 5 A 43.126 0.746 11 20 [**-*******+*********]
2 6 A 13.077 0.604 14 16 "[******* **-**+** *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 6 SER HA 1 7 GLY H 3.570 . 4.070 2.682 2.161 3.472 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 ASN H 3.540 . 4.040 2.441 2.109 2.982 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 93 ILE HB 6.170 . 6.670 4.639 3.426 5.498 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY QA 1 93 ILE MD 6.040 . 6.540 3.369 2.335 4.394 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY QA 1 93 ILE MG 7.410 . 7.910 4.931 4.099 5.517 . 0 0 "[ . 1 . 2]" 1
6 1 8 ASN H 1 8 ASN HB2 3.910 . 4.410 2.957 2.330 3.985 . 0 0 "[ . 1 . 2]" 1
7 1 8 ASN H 1 8 ASN HB3 3.910 . 4.410 3.120 2.387 3.858 . 0 0 "[ . 1 . 2]" 1
8 1 8 ASN HA 1 9 ARG H 3.310 . 3.810 2.418 2.121 3.342 . 0 0 "[ . 1 . 2]" 1
9 1 8 ASN QB 1 10 ALA MB 5.680 . 6.180 3.752 3.048 4.240 . 0 0 "[ . 1 . 2]" 1
10 1 9 ARG H 1 9 ARG HB2 3.900 . 4.400 3.241 2.075 3.913 . 0 0 "[ . 1 . 2]" 1
11 1 9 ARG H 1 9 ARG HB3 3.900 . 4.400 3.369 2.478 3.988 . 0 0 "[ . 1 . 2]" 1
12 1 9 ARG H 1 9 ARG HG2 4.520 . 5.020 3.148 2.017 4.414 . 0 0 "[ . 1 . 2]" 1
13 1 9 ARG H 1 9 ARG QG 4.110 . 4.610 2.480 1.997 3.721 . 0 0 "[ . 1 . 2]" 1
14 1 9 ARG H 1 9 ARG HG3 4.520 . 5.020 3.022 2.009 4.008 . 0 0 "[ . 1 . 2]" 1
15 1 9 ARG H 1 10 ALA H 4.130 . 4.630 2.909 2.432 4.140 . 0 0 "[ . 1 . 2]" 1
16 1 9 ARG H 1 93 ILE MD 5.870 . 6.370 3.415 1.950 4.333 . 0 0 "[ . 1 . 2]" 1
17 1 9 ARG HA 1 10 ALA MB 5.720 . 6.220 4.658 4.109 4.856 . 0 0 "[ . 1 . 2]" 1
18 1 9 ARG HA 1 93 ILE HB 5.500 . 6.000 5.001 4.068 5.514 . 0 0 "[ . 1 . 2]" 1
19 1 9 ARG HA 1 93 ILE MD 4.700 . 5.200 2.609 2.143 3.617 . 0 0 "[ . 1 . 2]" 1
20 1 9 ARG HA 1 93 ILE MG 4.540 . 5.040 2.887 2.347 3.630 . 0 0 "[ . 1 . 2]" 1
21 1 9 ARG HA 2 5 A H2 100.000 5.000 100.500 5.294 4.954 6.245 0.046 17 0 "[ . 1 . 2]" 1
22 1 9 ARG HA 2 5 A Q6 6.730 3.000 7.230 4.423 3.585 5.304 . 0 0 "[ . 1 . 2]" 1
23 1 9 ARG QB 1 10 ALA H 4.920 . 5.420 3.737 3.014 4.048 . 0 0 "[ . 1 . 2]" 1
24 1 9 ARG QB 1 93 ILE MD 6.610 . 7.110 3.107 1.970 4.060 . 0 0 "[ . 1 . 2]" 1
25 1 9 ARG QB 1 93 ILE MG 6.870 . 7.370 3.933 2.577 5.114 . 0 0 "[ . 1 . 2]" 1
26 1 9 ARG HB2 2 5 A H2 5.000 . 5.500 4.195 2.864 5.031 . 0 0 "[ . 1 . 2]" 1
27 1 9 ARG HB3 2 5 A H2 5.000 . 5.500 3.796 2.940 5.074 . 0 0 "[ . 1 . 2]" 1
28 1 9 ARG HD2 2 5 A H2 5.000 . 5.500 3.799 2.279 5.002 . 0 0 "[ . 1 . 2]" 1
29 1 9 ARG HD3 2 5 A H2 5.000 . 5.500 3.209 2.066 4.920 . 0 0 "[ . 1 . 2]" 1
30 1 9 ARG HE 1 93 ILE MD 6.390 . 6.890 4.512 2.796 5.361 . 0 0 "[ . 1 . 2]" 1
31 1 9 ARG HE 2 5 A H2 5.000 . 5.500 3.806 2.583 5.019 . 0 0 "[ . 1 . 2]" 1
32 1 9 ARG QG 1 93 ILE MD 5.190 . 5.690 3.041 2.173 3.865 . 0 0 "[ . 1 . 2]" 1
33 1 9 ARG HG2 1 93 ILE MD 5.510 . 6.010 3.360 2.306 4.354 . 0 0 "[ . 1 . 2]" 1
34 1 9 ARG HG2 2 5 A H2 5.000 . 5.500 3.916 2.889 5.035 . 0 0 "[ . 1 . 2]" 1
35 1 9 ARG HG3 1 93 ILE MD 5.510 . 6.010 3.574 2.458 4.648 . 0 0 "[ . 1 . 2]" 1
36 1 9 ARG HG3 2 5 A H2 5.000 . 5.500 4.228 2.626 5.046 . 0 0 "[ . 1 . 2]" 1
37 1 10 ALA HA 1 11 ASN H 2.500 . 3.000 2.494 2.106 2.718 . 0 0 "[ . 1 . 2]" 1
38 1 10 ALA HA 1 12 PRO HD2 100.000 3.500 100.500 4.557 4.003 6.278 . 0 0 "[ . 1 . 2]" 1
39 1 10 ALA HA 1 12 PRO HD3 100.000 3.500 100.500 3.562 3.444 5.218 0.056 16 0 "[ . 1 . 2]" 1
40 1 10 ALA MB 1 11 ASN H 5.400 . 5.900 3.238 2.313 3.718 . 0 0 "[ . 1 . 2]" 1
41 1 10 ALA MB 1 11 ASN QB 5.920 . 6.420 3.982 3.483 4.382 . 0 0 "[ . 1 . 2]" 1
42 1 10 ALA MB 1 11 ASN HD21 5.570 . 6.070 3.842 2.545 4.671 . 0 0 "[ . 1 . 2]" 1
43 1 10 ALA MB 1 11 ASN HD22 5.570 . 6.070 4.112 2.939 4.672 . 0 0 "[ . 1 . 2]" 1
44 1 11 ASN H 1 11 ASN HA 100.000 2.500 100.500 2.681 2.383 2.923 0.117 17 0 "[ . 1 . 2]" 1
45 1 11 ASN H 1 12 PRO HD2 4.920 . 5.420 3.347 2.762 4.938 . 0 0 "[ . 1 . 2]" 1
46 1 11 ASN H 1 12 PRO QD 4.680 . 5.180 2.477 1.905 4.184 . 0 0 "[ . 1 . 2]" 1
47 1 11 ASN H 1 12 PRO HD3 4.920 . 5.420 2.590 1.942 4.519 . 0 0 "[ . 1 . 2]" 1
48 1 11 ASN HA 1 12 PRO HD2 3.680 . 4.180 2.473 2.257 3.040 . 0 0 "[ . 1 . 2]" 1
49 1 11 ASN HA 1 12 PRO QD 3.600 . 4.100 2.376 2.021 2.795 . 0 0 "[ . 1 . 2]" 1
50 1 11 ASN HA 1 12 PRO HD3 3.680 . 4.180 3.188 2.280 3.689 . 0 0 "[ . 1 . 2]" 1
51 1 11 ASN QB 1 12 PRO QD 5.900 . 6.400 3.875 3.017 4.063 . 0 0 "[ . 1 . 2]" 1
52 1 12 PRO HA 1 13 ASP H 3.200 . 3.700 2.404 2.195 2.630 . 0 0 "[ . 1 . 2]" 1
53 1 12 PRO HA 1 93 ILE MG 4.770 . 5.270 2.866 2.250 3.980 . 0 0 "[ . 1 . 2]" 1
54 1 12 PRO QB 1 13 ASP H 4.510 . 5.010 2.616 2.154 3.243 . 0 0 "[ . 1 . 2]" 1
55 1 12 PRO QB 1 93 ILE MG 4.210 . 4.710 2.644 2.111 3.113 . 0 0 "[ . 1 . 2]" 1
56 1 12 PRO HB2 1 13 ASP H 4.580 . 5.080 2.716 2.177 3.435 . 0 0 "[ . 1 . 2]" 1
57 1 12 PRO HB3 1 13 ASP H 4.580 . 5.080 3.603 2.992 3.980 . 0 0 "[ . 1 . 2]" 1
58 1 12 PRO QD 1 91 PHE QD 6.740 . 7.240 4.947 3.095 5.362 . 0 0 "[ . 1 . 2]" 1
59 1 12 PRO QG 1 91 PHE H 4.970 3.500 5.470 3.585 3.112 4.167 0.388 1 0 "[ . 1 . 2]" 1
60 1 12 PRO QG 1 91 PHE HB2 112.250 3.500 112.750 3.747 3.085 4.384 0.415 18 0 "[ . 1 . 2]" 1
61 1 12 PRO QG 1 91 PHE QB 5.970 . 6.470 3.670 3.041 4.274 . 0 0 "[ . 1 . 2]" 1
62 1 12 PRO QG 1 91 PHE HB3 112.250 3.500 112.750 5.265 4.622 5.920 . 0 0 "[ . 1 . 2]" 1
63 1 12 PRO QG 1 91 PHE QD 5.300 . 5.800 3.229 2.631 4.210 . 0 0 "[ . 1 . 2]" 1
64 1 12 PRO QG 1 93 ILE MG 6.110 . 6.610 4.160 2.646 4.558 . 0 0 "[ . 1 . 2]" 1
65 1 12 PRO QG 2 4 G Q2 125.990 3.500 126.490 4.107 3.298 5.319 0.202 13 0 "[ . 1 . 2]" 1
66 1 12 PRO QG 2 5 A Q6 7.560 3.000 8.060 3.729 2.380 4.788 0.620 12 1 "[ . 1 + . 2]" 1
67 1 13 ASP H 1 13 ASP HB2 4.020 . 4.520 3.325 2.383 4.022 . 0 0 "[ . 1 . 2]" 1
68 1 13 ASP H 1 13 ASP HB3 4.020 . 4.520 3.124 2.469 3.829 . 0 0 "[ . 1 . 2]" 1
69 1 13 ASP HA 1 14 PRO HD2 3.590 . 4.090 2.876 2.657 3.147 . 0 0 "[ . 1 . 2]" 1
70 1 13 ASP HA 1 14 PRO QD 3.430 . 3.930 2.029 1.952 2.105 . 0 0 "[ . 1 . 2]" 1
71 1 13 ASP HA 1 14 PRO HD3 3.590 . 4.090 2.076 2.009 2.146 . 0 0 "[ . 1 . 2]" 1
72 1 13 ASP HA 1 14 PRO HG3 4.340 . 4.840 4.246 4.139 4.368 . 0 0 "[ . 1 . 2]" 1
73 1 13 ASP QB 1 14 PRO QD 4.350 . 4.850 2.842 2.165 3.507 . 0 0 "[ . 1 . 2]" 1
74 1 13 ASP HB2 1 14 PRO HD2 4.680 . 5.180 3.583 2.261 4.315 . 0 0 "[ . 1 . 2]" 1
75 1 13 ASP HB2 1 14 PRO HD3 4.680 . 5.180 3.931 2.783 4.682 . 0 0 "[ . 1 . 2]" 1
76 1 13 ASP HB3 1 14 PRO HD2 4.680 . 5.180 3.820 2.467 4.425 . 0 0 "[ . 1 . 2]" 1
77 1 13 ASP HB3 1 14 PRO HD3 4.680 . 5.180 4.186 3.351 4.693 . 0 0 "[ . 1 . 2]" 1
78 1 14 PRO QB 1 67 VAL MG1 6.150 . 6.650 3.977 3.716 4.339 . 0 0 "[ . 1 . 2]" 1
79 1 14 PRO QB 1 71 LYS QD 4.450 . 4.950 2.341 2.240 2.525 . 0 0 "[ . 1 . 2]" 1
80 1 14 PRO QB 1 71 LYS QE 5.760 . 6.260 3.590 2.555 3.981 . 0 0 "[ . 1 . 2]" 1
81 1 14 PRO HB2 1 67 VAL MG1 6.360 . 6.860 4.457 4.162 4.742 . 0 0 "[ . 1 . 2]" 1
82 1 14 PRO HB2 1 71 LYS QD 4.520 . 5.020 3.208 2.986 3.699 . 0 0 "[ . 1 . 2]" 1
83 1 14 PRO HB3 1 67 VAL MG1 6.360 . 6.860 4.492 4.003 5.049 . 0 0 "[ . 1 . 2]" 1
84 1 14 PRO HB3 1 71 LYS QD 4.520 . 5.020 2.416 2.286 2.689 . 0 0 "[ . 1 . 2]" 1
85 1 14 PRO HG2 1 91 PHE QE 6.170 . 6.670 4.745 4.361 5.082 . 0 0 "[ . 1 . 2]" 1
86 1 14 PRO HG3 1 71 LYS QE 5.100 . 5.600 4.049 3.692 4.593 . 0 0 "[ . 1 . 2]" 1
87 1 14 PRO HG3 1 91 PHE QE 4.960 . 5.460 3.232 2.875 3.646 . 0 0 "[ . 1 . 2]" 1
88 1 15 ASN HA 1 67 VAL MG2 4.410 . 4.910 2.850 2.162 3.686 . 0 0 "[ . 1 . 2]" 1
89 1 15 ASN QB 1 16 CYS H 4.500 . 5.000 3.563 2.403 3.851 . 0 0 "[ . 1 . 2]" 1
90 1 15 ASN QB 1 17 CYS H 5.060 . 5.560 3.309 2.923 3.535 . 0 0 "[ . 1 . 2]" 1
91 1 16 CYS H 1 17 CYS H 4.430 . 4.930 2.742 2.584 2.987 . 0 0 "[ . 1 . 2]" 1
92 1 16 CYS H 1 67 VAL HA 100.000 3.500 100.500 3.863 3.464 4.241 0.036 14 0 "[ . 1 . 2]" 1
93 1 16 CYS HA 1 67 VAL HA 4.320 . 4.820 2.514 2.243 2.760 . 0 0 "[ . 1 . 2]" 1
94 1 16 CYS HA 1 67 VAL MG2 5.380 . 5.880 3.481 2.673 3.703 . 0 0 "[ . 1 . 2]" 1
95 1 16 CYS HA 1 70 ALA MB 4.400 . 4.900 2.419 2.098 3.135 . 0 0 "[ . 1 . 2]" 1
96 1 17 CYS H 1 17 CYS HB2 4.100 . 4.600 2.798 2.380 3.977 . 0 0 "[ . 1 . 2]" 1
97 1 17 CYS H 1 17 CYS HB3 4.100 . 4.600 3.239 2.513 3.680 . 0 0 "[ . 1 . 2]" 1
98 1 17 CYS QB 1 92 SER QB 4.990 . 5.490 2.534 2.003 3.793 . 0 0 "[ . 1 . 2]" 1
99 1 18 LEU H 1 18 LEU HG 4.590 . 5.090 2.966 2.747 3.071 . 0 0 "[ . 1 . 2]" 1
100 1 18 LEU H 1 62 VAL H 4.800 . 5.300 2.933 2.843 3.094 . 0 0 "[ . 1 . 2]" 1
101 1 18 LEU H 1 62 VAL HB 5.090 . 5.590 3.461 3.265 3.627 . 0 0 "[ . 1 . 2]" 1
102 1 18 LEU HA 1 18 LEU MD2 4.470 . 4.970 2.214 2.165 2.270 . 0 0 "[ . 1 . 2]" 1
103 1 18 LEU HA 1 91 PHE HA 4.370 . 4.870 2.540 2.377 2.636 . 0 0 "[ . 1 . 2]" 1
104 1 18 LEU HA 1 92 SER H 5.020 . 5.520 2.754 2.576 3.063 . 0 0 "[ . 1 . 2]" 1
105 1 18 LEU MD1 1 19 GLY H 5.750 . 6.250 4.627 4.539 4.708 . 0 0 "[ . 1 . 2]" 1
106 1 18 LEU MD1 1 36 PHE QD 6.170 . 6.670 2.783 2.582 2.976 . 0 0 "[ . 1 . 2]" 1
107 1 18 LEU MD1 1 36 PHE QE 5.650 . 6.150 2.637 2.315 3.040 . 0 0 "[ . 1 . 2]" 1
108 1 18 LEU MD1 1 62 VAL HB 5.210 . 5.710 3.505 3.363 3.640 . 0 0 "[ . 1 . 2]" 1
109 1 18 LEU MD1 1 64 PHE QD 5.500 . 6.000 3.448 3.188 3.884 . 0 0 "[ . 1 . 2]" 1
110 1 18 LEU MD1 1 64 PHE QE 5.070 . 5.570 2.243 2.210 2.306 . 0 0 "[ . 1 . 2]" 1
111 1 18 LEU MD1 1 64 PHE HZ 5.740 . 6.240 3.670 3.026 3.809 . 0 0 "[ . 1 . 2]" 1
112 1 18 LEU MD1 1 70 ALA HA 5.280 . 5.780 2.422 2.333 2.563 . 0 0 "[ . 1 . 2]" 1
113 1 18 LEU MD1 1 70 ALA MB 5.310 . 5.810 2.842 2.633 3.043 . 0 0 "[ . 1 . 2]" 1
114 1 18 LEU MD1 1 73 ALA MB 4.640 . 5.140 2.176 2.067 2.371 . 0 0 "[ . 1 . 2]" 1
115 1 18 LEU MD1 1 74 LYS H 5.240 . 5.740 2.696 2.560 2.837 . 0 0 "[ . 1 . 2]" 1
116 1 18 LEU MD1 1 74 LYS HA 5.160 . 5.660 2.707 2.565 2.849 . 0 0 "[ . 1 . 2]" 1
117 1 18 LEU MD2 1 70 ALA MB 5.150 . 5.650 2.263 2.208 2.355 . 0 0 "[ . 1 . 2]" 1
118 1 18 LEU MD2 1 71 LYS HA 5.790 . 6.290 4.011 3.888 4.097 . 0 0 "[ . 1 . 2]" 1
119 1 18 LEU MD2 1 91 PHE HA 4.770 . 5.270 2.230 2.099 2.451 . 0 0 "[ . 1 . 2]" 1
120 1 18 LEU MD2 1 91 PHE QD 4.790 . 5.290 2.142 2.107 2.208 . 0 0 "[ . 1 . 2]" 1
121 1 18 LEU MD2 1 91 PHE QE 4.880 . 5.380 2.738 2.632 2.837 . 0 0 "[ . 1 . 2]" 1
122 1 18 LEU MD2 1 92 SER H 5.280 . 5.780 3.374 3.182 3.656 . 0 0 "[ . 1 . 2]" 1
123 1 18 LEU HG 1 64 PHE QD 5.020 . 5.520 2.999 2.881 3.173 . 0 0 "[ . 1 . 2]" 1
124 1 18 LEU HG 1 64 PHE QE 5.190 . 5.690 3.368 2.709 3.720 . 0 0 "[ . 1 . 2]" 1
125 1 19 GLY H 1 90 ASP H 3.500 . 4.000 3.089 2.996 3.156 . 0 0 "[ . 1 . 2]" 1
126 1 19 GLY H 1 91 PHE HA 4.370 . 4.870 3.639 3.512 3.765 . 0 0 "[ . 1 . 2]" 1
127 1 19 GLY QA 1 61 PHE HA 5.700 . 6.200 2.291 2.222 2.355 . 0 0 "[ . 1 . 2]" 1
128 1 19 GLY QA 1 61 PHE QE 6.730 . 7.230 2.615 2.531 2.721 . 0 0 "[ . 1 . 2]" 1
129 1 19 GLY QA 1 62 VAL H 5.380 . 5.880 3.689 3.655 3.725 . 0 0 "[ . 1 . 2]" 1
130 1 19 GLY HA2 1 61 PHE QD 5.470 . 5.970 2.538 2.359 2.720 . 0 0 "[ . 1 . 2]" 1
131 1 19 GLY HA3 1 61 PHE QD 5.470 . 5.970 3.174 2.926 3.348 . 0 0 "[ . 1 . 2]" 1
132 1 20 VAL H 1 20 VAL HB 4.040 . 4.540 2.792 2.750 2.824 . 0 0 "[ . 1 . 2]" 1
133 1 20 VAL H 1 60 ALA H 4.530 . 5.030 3.001 2.875 3.055 . 0 0 "[ . 1 . 2]" 1
134 1 20 VAL H 1 60 ALA MB 6.270 . 6.770 3.888 3.748 4.000 . 0 0 "[ . 1 . 2]" 1
135 1 20 VAL H 1 61 PHE HA 5.500 . 6.000 3.204 3.134 3.304 . 0 0 "[ . 1 . 2]" 1
136 1 20 VAL HA 1 21 PHE H 3.540 . 4.040 2.183 2.149 2.215 . 0 0 "[ . 1 . 2]" 1
137 1 20 VAL HA 1 21 PHE QD 5.400 . 5.900 3.358 3.185 3.656 . 0 0 "[ . 1 . 2]" 1
138 1 20 VAL HA 1 89 VAL HA 4.070 . 4.570 2.625 2.541 2.743 . 0 0 "[ . 1 . 2]" 1
139 1 20 VAL HA 1 89 VAL MG2 4.790 . 5.290 2.798 2.610 3.019 . 0 0 "[ . 1 . 2]" 1
140 1 20 VAL HA 1 90 ASP H 4.380 . 4.880 4.015 3.944 4.148 . 0 0 "[ . 1 . 2]" 1
141 1 20 VAL HB 1 60 ALA H 4.780 . 5.280 3.397 3.331 3.513 . 0 0 "[ . 1 . 2]" 1
142 1 20 VAL QG 2 3 A H2 8.760 3.500 9.260 6.299 5.476 6.510 . 0 0 "[ . 1 . 2]" 1
143 1 20 VAL MG1 1 21 PHE H 4.640 . 5.140 2.703 2.597 2.849 . 0 0 "[ . 1 . 2]" 1
144 1 20 VAL MG1 1 21 PHE HA 5.260 . 5.760 3.991 3.901 4.139 . 0 0 "[ . 1 . 2]" 1
145 1 20 VAL MG1 1 32 LEU MD1 5.840 . 6.340 3.692 3.468 3.905 . 0 0 "[ . 1 . 2]" 1
146 1 20 VAL MG1 1 36 PHE QE 4.850 . 5.350 3.061 2.836 3.172 . 0 0 "[ . 1 . 2]" 1
147 1 20 VAL MG1 1 36 PHE HZ 4.340 . 4.840 2.783 2.573 3.381 . 0 0 "[ . 1 . 2]" 1
148 1 20 VAL MG1 1 87 ILE HA 5.670 . 6.170 4.409 4.203 4.589 . 0 0 "[ . 1 . 2]" 1
149 1 20 VAL MG1 1 87 ILE HB 4.260 . 4.760 2.626 2.461 2.772 . 0 0 "[ . 1 . 2]" 1
150 1 20 VAL MG1 1 88 ARG H 5.080 . 5.580 3.803 3.371 4.049 . 0 0 "[ . 1 . 2]" 1
151 1 20 VAL MG1 1 89 VAL HA 5.240 . 5.740 3.886 3.693 4.008 . 0 0 "[ . 1 . 2]" 1
152 1 20 VAL MG1 1 89 VAL MG2 4.460 . 4.960 2.200 2.146 2.282 . 0 0 "[ . 1 . 2]" 1
153 1 20 VAL MG2 1 21 PHE H 5.310 . 5.810 4.194 4.142 4.271 . 0 0 "[ . 1 . 2]" 1
154 1 20 VAL MG2 1 36 PHE QE 4.800 . 5.300 2.820 2.618 2.895 . 0 0 "[ . 1 . 2]" 1
155 1 20 VAL MG2 1 36 PHE HZ 4.280 . 4.780 2.424 2.364 2.529 . 0 0 "[ . 1 . 2]" 1
156 1 20 VAL MG2 1 89 VAL HA 5.480 . 5.980 3.537 3.304 3.763 . 0 0 "[ . 1 . 2]" 1
157 1 20 VAL MG2 1 89 VAL MG1 4.800 . 5.300 2.387 2.317 2.518 . 0 0 "[ . 1 . 2]" 1
158 1 20 VAL MG2 1 89 VAL MG2 4.980 . 5.480 2.464 2.371 2.602 . 0 0 "[ . 1 . 2]" 1
159 1 21 PHE H 1 21 PHE QD 4.780 . 5.280 2.717 2.572 2.910 . 0 0 "[ . 1 . 2]" 1
160 1 21 PHE H 1 22 GLY H 100.000 3.500 100.500 4.524 4.456 4.558 . 0 0 "[ . 1 . 2]" 1
161 1 21 PHE H 1 88 ARG H 4.800 . 5.300 2.815 2.651 2.947 . 0 0 "[ . 1 . 2]" 1
162 1 21 PHE H 1 89 VAL HA 4.740 . 5.240 3.718 3.614 3.823 . 0 0 "[ . 1 . 2]" 1
163 1 21 PHE HA 1 59 PHE HA 3.700 . 4.200 2.624 2.485 2.758 . 0 0 "[ . 1 . 2]" 1
164 1 21 PHE HA 1 59 PHE HB2 4.340 . 4.840 2.787 2.639 2.951 . 0 0 "[ . 1 . 2]" 1
165 1 21 PHE HA 1 59 PHE HB3 4.340 . 4.840 2.490 2.303 2.727 . 0 0 "[ . 1 . 2]" 1
166 1 21 PHE HA 1 60 ALA H 3.950 . 4.450 3.714 3.624 3.785 . 0 0 "[ . 1 . 2]" 1
167 1 21 PHE QB 1 88 ARG QB 5.380 . 5.880 2.512 2.177 4.196 . 0 0 "[ . 1 . 2]" 1
168 1 21 PHE QB 2 3 A H2 6.730 3.000 7.230 4.679 2.928 5.356 0.072 18 0 "[ . 1 . 2]" 1
169 1 21 PHE QB 2 4 G H8 6.730 3.000 7.230 3.041 2.703 3.660 0.297 10 0 "[ . 1 . 2]" 1
170 1 21 PHE QD 1 59 PHE HB2 5.130 . 5.630 2.363 2.207 2.556 . 0 0 "[ . 1 . 2]" 1
171 1 21 PHE QD 1 59 PHE QB 4.850 . 5.350 2.154 2.091 2.277 . 0 0 "[ . 1 . 2]" 1
172 1 21 PHE QD 1 59 PHE HB3 5.130 . 5.630 2.500 2.344 2.638 . 0 0 "[ . 1 . 2]" 1
173 1 21 PHE QD 1 59 PHE QD 5.730 . 6.230 3.340 2.926 3.583 . 0 0 "[ . 1 . 2]" 1
174 1 21 PHE QD 2 4 G H1' 6.730 3.000 7.230 3.679 2.683 4.539 0.317 7 0 "[ . 1 . 2]" 1
175 1 21 PHE QD 2 4 G H8 5.610 . 6.110 4.176 3.432 4.700 . 0 0 "[ . 1 . 2]" 1
176 1 21 PHE QE 2 5 A H2 5.610 . 6.110 3.978 3.480 4.937 . 0 0 "[ . 1 . 2]" 1
177 1 22 GLY H 1 23 LEU H 4.550 . 5.050 2.398 2.154 2.605 . 0 0 "[ . 1 . 2]" 1
178 1 22 GLY H 1 59 PHE HA 5.500 . 6.000 3.787 3.367 4.145 . 0 0 "[ . 1 . 2]" 1
179 1 22 GLY H 1 59 PHE QD 5.800 . 6.300 4.819 4.473 5.172 . 0 0 "[ . 1 . 2]" 1
180 1 22 GLY H 2 3 A H1' 100.000 3.500 100.500 4.075 3.467 4.949 0.033 12 0 "[ . 1 . 2]" 1
181 1 22 GLY QA 1 23 LEU HA 5.030 . 5.530 4.175 4.123 4.200 . 0 0 "[ . 1 . 2]" 1
182 1 22 GLY QA 1 87 ILE HA 4.670 . 5.170 2.983 2.658 3.291 . 0 0 "[ . 1 . 2]" 1
183 1 22 GLY QA 1 88 ARG H 5.160 . 5.660 3.777 3.475 3.989 . 0 0 "[ . 1 . 2]" 1
184 1 22 GLY QA 1 88 ARG HE 6.730 3.000 7.230 5.814 5.529 6.010 . 0 0 "[ . 1 . 2]" 1
185 1 22 GLY QA 2 3 A H1' 6.730 3.000 7.230 2.811 2.625 3.769 0.375 15 0 "[ . 1 . 2]" 1
186 1 22 GLY QA 2 3 A H2 5.610 . 6.110 3.099 2.531 3.586 . 0 0 "[ . 1 . 2]" 1
187 1 23 LEU H 1 23 LEU HB2 4.000 . 4.500 2.430 2.384 2.504 . 0 0 "[ . 1 . 2]" 1
188 1 23 LEU H 1 23 LEU HB3 4.050 . 4.550 3.592 3.565 3.606 . 0 0 "[ . 1 . 2]" 1
189 1 23 LEU H 1 23 LEU MD1 4.890 . 5.390 3.634 3.384 3.707 . 0 0 "[ . 1 . 2]" 1
190 1 23 LEU H 1 23 LEU MD2 5.060 . 5.560 3.457 3.238 3.759 . 0 0 "[ . 1 . 2]" 1
191 1 23 LEU H 1 23 LEU HG 3.760 . 4.260 2.394 2.197 2.547 . 0 0 "[ . 1 . 2]" 1
192 1 23 LEU HA 1 23 LEU MD2 3.860 . 4.360 2.142 2.094 2.246 . 0 0 "[ . 1 . 2]" 1
193 1 23 LEU HA 1 87 ILE MG 4.550 . 5.050 2.835 2.638 3.111 . 0 0 "[ . 1 . 2]" 1
194 1 23 LEU HB2 1 24 SER H 4.580 . 5.080 3.672 3.498 3.883 . 0 0 "[ . 1 . 2]" 1
195 1 23 LEU HB2 1 27 THR HB 4.430 . 4.930 4.338 4.087 4.459 . 0 0 "[ . 1 . 2]" 1
196 1 23 LEU HB2 1 58 GLY HA2 5.280 . 5.780 2.740 2.490 2.975 . 0 0 "[ . 1 . 2]" 1
197 1 23 LEU HB2 1 58 GLY HA3 4.810 . 5.310 4.092 3.920 4.251 . 0 0 "[ . 1 . 2]" 1
198 1 23 LEU HB2 1 59 PHE HA 4.900 . 5.400 3.555 3.336 3.844 . 0 0 "[ . 1 . 2]" 1
199 1 23 LEU HB3 1 24 SER H 4.710 . 5.210 2.467 2.341 2.731 . 0 0 "[ . 1 . 2]" 1
200 1 23 LEU HB3 1 27 THR HB 4.260 . 4.760 2.936 2.714 3.214 . 0 0 "[ . 1 . 2]" 1
201 1 23 LEU HB3 1 58 GLY HA2 5.100 . 5.600 4.215 4.007 4.416 . 0 0 "[ . 1 . 2]" 1
202 1 23 LEU MD1 1 27 THR HB 5.120 . 5.620 3.399 3.136 3.709 . 0 0 "[ . 1 . 2]" 1
203 1 23 LEU MD1 1 27 THR MG 5.380 . 5.880 2.758 2.482 3.200 . 0 0 "[ . 1 . 2]" 1
204 1 23 LEU MD1 1 58 GLY HA3 6.320 . 6.820 5.153 4.852 5.272 . 0 0 "[ . 1 . 2]" 1
205 1 23 LEU MD1 1 59 PHE H 5.090 . 5.590 3.580 3.158 3.871 . 0 0 "[ . 1 . 2]" 1
206 1 23 LEU MD1 1 60 ALA H 5.190 . 5.690 3.043 2.864 3.417 . 0 0 "[ . 1 . 2]" 1
207 1 23 LEU MD1 1 60 ALA MB 4.760 . 5.260 1.988 1.909 2.078 . 0 0 "[ . 1 . 2]" 1
208 1 23 LEU MD2 1 24 SER H 4.720 . 5.220 3.302 3.160 3.540 . 0 0 "[ . 1 . 2]" 1
209 1 23 LEU MD2 1 27 THR HB 5.180 . 5.680 3.771 3.553 3.960 . 0 0 "[ . 1 . 2]" 1
210 1 23 LEU MD2 1 27 THR MG 4.310 . 4.810 2.335 2.216 2.488 . 0 0 "[ . 1 . 2]" 1
211 1 23 LEU MD2 1 87 ILE HA 5.280 . 5.780 4.176 3.909 4.407 . 0 0 "[ . 1 . 2]" 1
212 1 23 LEU MD2 1 87 ILE HB 4.640 . 5.140 3.016 2.784 3.266 . 0 0 "[ . 1 . 2]" 1
213 1 24 SER H 1 26 TYR H 100.000 5.000 100.500 4.964 4.937 5.006 0.063 19 0 "[ . 1 . 2]" 1
214 1 24 SER H 1 27 THR HB 4.790 . 5.290 3.618 3.295 4.330 . 0 0 "[ . 1 . 2]" 1
215 1 24 SER H 1 85 ARG QD 5.970 . 6.470 5.276 4.987 5.350 . 0 0 "[ . 1 . 2]" 1
216 1 24 SER H 1 85 ARG QG 5.040 . 5.540 3.218 2.899 3.569 . 0 0 "[ . 1 . 2]" 1
217 1 24 SER HA 1 25 LEU H 3.400 . 3.900 2.322 2.266 2.354 . 0 0 "[ . 1 . 2]" 1
218 1 24 SER HA 1 25 LEU MD2 5.810 . 6.310 4.328 4.115 4.503 . 0 0 "[ . 1 . 2]" 1
219 1 24 SER HA 1 26 TYR H 4.120 . 4.620 3.914 3.850 4.033 . 0 0 "[ . 1 . 2]" 1
220 1 24 SER HA 1 26 TYR QD 5.530 . 6.030 4.908 4.848 4.933 . 0 0 "[ . 1 . 2]" 1
221 1 24 SER HA 1 85 ARG QD 4.740 . 5.240 4.062 3.712 4.257 . 0 0 "[ . 1 . 2]" 1
222 1 24 SER HA 1 85 ARG QG 4.580 . 5.080 2.641 2.443 3.094 . 0 0 "[ . 1 . 2]" 1
223 1 24 SER QB 1 25 LEU H 4.230 . 4.730 3.478 3.383 3.642 . 0 0 "[ . 1 . 2]" 1
224 1 24 SER QB 1 26 TYR H 4.530 . 5.030 3.026 2.796 3.295 . 0 0 "[ . 1 . 2]" 1
225 1 24 SER QB 1 26 TYR QD 5.730 . 6.230 4.039 3.787 4.218 . 0 0 "[ . 1 . 2]" 1
226 1 24 SER QB 1 27 THR H 4.270 . 4.770 2.768 2.511 3.452 . 0 0 "[ . 1 . 2]" 1
227 1 24 SER QB 1 27 THR HB 4.920 . 5.420 3.787 3.481 4.395 . 0 0 "[ . 1 . 2]" 1
228 1 24 SER QB 1 83 ASP HB2 4.250 . 4.750 3.221 2.218 3.466 . 0 0 "[ . 1 . 2]" 1
229 1 24 SER QB 1 83 ASP QB 4.180 . 4.680 2.172 2.034 2.291 . 0 0 "[ . 1 . 2]" 1
230 1 24 SER QB 1 83 ASP HB3 4.250 . 4.750 2.228 2.165 2.487 . 0 0 "[ . 1 . 2]" 1
231 1 24 SER QB 1 85 ARG QD 5.100 . 5.600 3.915 3.618 4.077 . 0 0 "[ . 1 . 2]" 1
232 1 24 SER QB 1 85 ARG HE 5.870 . 6.370 3.920 2.228 4.973 . 0 0 "[ . 1 . 2]" 1
233 1 24 SER QB 1 85 ARG HG2 4.410 . 4.910 2.445 2.219 3.191 . 0 0 "[ . 1 . 2]" 1
234 1 24 SER QB 1 85 ARG QG 4.320 . 4.820 2.168 2.060 2.333 . 0 0 "[ . 1 . 2]" 1
235 1 24 SER QB 1 85 ARG HG3 4.410 . 4.910 2.487 2.187 2.811 . 0 0 "[ . 1 . 2]" 1
236 1 25 LEU H 1 25 LEU MD1 4.720 . 5.220 3.713 3.600 3.764 . 0 0 "[ . 1 . 2]" 1
237 1 25 LEU H 1 25 LEU MD2 4.860 . 5.360 3.298 3.125 3.400 . 0 0 "[ . 1 . 2]" 1
238 1 25 LEU H 1 25 LEU HG 3.610 . 4.110 2.328 2.159 2.416 . 0 0 "[ . 1 . 2]" 1
239 1 25 LEU H 1 26 TYR H 3.840 . 4.340 2.564 2.455 2.761 . 0 0 "[ . 1 . 2]" 1
240 1 25 LEU H 1 26 TYR QD 4.830 . 5.330 3.679 3.301 3.776 . 0 0 "[ . 1 . 2]" 1
241 1 25 LEU HA 1 25 LEU MD2 3.530 . 4.030 2.180 2.154 2.215 . 0 0 "[ . 1 . 2]" 1
242 1 25 LEU HA 1 25 LEU HG 4.040 . 4.540 3.260 3.204 3.334 . 0 0 "[ . 1 . 2]" 1
243 1 25 LEU HA 1 27 THR H 4.900 . 5.400 3.877 3.772 4.010 . 0 0 "[ . 1 . 2]" 1
244 1 25 LEU HA 1 56 SER HG 4.430 . 4.930 3.597 3.313 4.117 . 0 0 "[ . 1 . 2]" 1
245 1 25 LEU QB 1 26 TYR H 4.600 . 5.100 3.093 3.023 3.193 . 0 0 "[ . 1 . 2]" 1
246 1 25 LEU QB 1 26 TYR QD 5.530 . 6.030 3.624 3.077 3.790 . 0 0 "[ . 1 . 2]" 1
247 1 25 LEU QB 1 26 TYR QE 5.420 . 5.920 3.714 3.286 3.922 . 0 0 "[ . 1 . 2]" 1
248 1 25 LEU QB 1 56 SER HB3 5.200 . 5.700 3.704 3.402 4.077 . 0 0 "[ . 1 . 2]" 1
249 1 25 LEU MD1 1 26 TYR QE 6.160 . 6.660 4.337 3.924 4.572 . 0 0 "[ . 1 . 2]" 1
250 1 25 LEU MD1 1 55 ARG QD 5.850 . 6.350 3.040 2.284 4.170 . 0 0 "[ . 1 . 2]" 1
251 1 25 LEU MD2 1 56 SER HB2 5.690 . 6.190 3.768 3.550 4.419 . 0 0 "[ . 1 . 2]" 1
252 1 25 LEU MD2 1 56 SER HB3 5.570 . 6.070 2.297 2.117 2.917 . 0 0 "[ . 1 . 2]" 1
253 1 25 LEU MD2 1 56 SER HG 5.500 . 6.000 3.594 3.269 4.288 . 0 0 "[ . 1 . 2]" 1
254 1 25 LEU MD2 1 57 ARG HA 5.280 . 5.780 4.295 4.100 4.412 . 0 0 "[ . 1 . 2]" 1
255 1 25 LEU MD2 1 58 GLY H 5.440 . 5.940 3.470 3.214 3.698 . 0 0 "[ . 1 . 2]" 1
256 1 25 LEU MD2 1 58 GLY HA2 4.730 . 5.230 3.471 3.033 3.679 . 0 0 "[ . 1 . 2]" 1
257 1 25 LEU MD2 1 58 GLY HA3 5.090 . 5.590 4.215 3.886 4.261 . 0 0 "[ . 1 . 2]" 1
258 1 26 TYR H 1 26 TYR HB2 3.710 . 4.210 2.465 2.403 2.507 . 0 0 "[ . 1 . 2]" 1
259 1 26 TYR H 1 26 TYR HB3 3.710 . 4.210 3.625 3.604 3.659 . 0 0 "[ . 1 . 2]" 1
260 1 26 TYR H 1 26 TYR QD 3.690 . 4.190 2.581 2.383 2.664 . 0 0 "[ . 1 . 2]" 1
261 1 26 TYR H 1 26 TYR QE 5.040 . 5.540 4.447 4.340 4.502 . 0 0 "[ . 1 . 2]" 1
262 1 26 TYR H 1 27 THR H 3.160 . 3.660 2.547 2.488 2.611 . 0 0 "[ . 1 . 2]" 1
263 1 26 TYR HA 1 26 TYR QD 3.720 . 4.220 2.733 2.661 2.993 . 0 0 "[ . 1 . 2]" 1
264 1 26 TYR HA 1 26 TYR QE 5.310 . 5.810 4.620 4.578 4.678 . 0 0 "[ . 1 . 2]" 1
265 1 26 TYR QB 1 27 THR H 4.370 . 4.870 3.424 3.365 3.538 . 0 0 "[ . 1 . 2]" 1
266 1 26 TYR HB2 1 27 THR H 4.450 . 4.950 3.586 3.518 3.725 . 0 0 "[ . 1 . 2]" 1
267 1 26 TYR HB3 1 27 THR H 4.450 . 4.950 4.335 4.273 4.414 . 0 0 "[ . 1 . 2]" 1
268 1 27 THR H 1 27 THR HB 3.200 . 3.700 2.508 2.444 2.692 . 0 0 "[ . 1 . 2]" 1
269 1 27 THR HA 1 28 THR H 3.120 . 3.620 2.220 2.192 2.280 . 0 0 "[ . 1 . 2]" 1
270 1 27 THR HA 1 28 THR MG 4.620 . 5.120 3.736 3.662 3.849 . 0 0 "[ . 1 . 2]" 1
271 1 27 THR HA 1 31 ASP HB2 4.600 . 5.100 3.719 3.537 3.982 . 0 0 "[ . 1 . 2]" 1
272 1 27 THR HA 1 31 ASP HB3 4.990 . 5.490 4.571 4.345 4.878 . 0 0 "[ . 1 . 2]" 1
273 1 27 THR MG 1 28 THR H 4.120 . 4.620 2.646 2.466 2.748 . 0 0 "[ . 1 . 2]" 1
274 1 27 THR MG 1 31 ASP H 5.360 . 5.860 4.279 4.075 4.399 . 0 0 "[ . 1 . 2]" 1
275 1 27 THR MG 1 31 ASP HB2 4.200 . 4.700 2.516 2.346 2.633 . 0 0 "[ . 1 . 2]" 1
276 1 27 THR MG 1 31 ASP HB3 4.250 . 4.750 3.391 3.162 3.533 . 0 0 "[ . 1 . 2]" 1
277 1 27 THR MG 1 32 LEU H 4.740 . 5.240 3.344 3.179 3.500 . 0 0 "[ . 1 . 2]" 1
278 1 27 THR MG 1 32 LEU MD1 4.660 . 5.160 2.714 2.525 3.001 . 0 0 "[ . 1 . 2]" 1
279 1 27 THR MG 1 32 LEU MD2 4.360 . 4.860 2.704 2.490 3.023 . 0 0 "[ . 1 . 2]" 1
280 1 27 THR MG 1 32 LEU HG 4.080 . 4.580 2.297 2.164 2.505 . 0 0 "[ . 1 . 2]" 1
281 1 27 THR MG 1 82 LEU MD2 4.250 . 4.750 2.350 2.082 2.954 . 0 0 "[ . 1 . 2]" 1
282 1 28 THR H 1 28 THR HG1 4.490 . 4.990 2.318 2.164 3.502 . 0 0 "[ . 1 . 2]" 1
283 1 28 THR H 1 28 THR MG 3.880 . 4.380 2.668 2.553 2.913 . 0 0 "[ . 1 . 2]" 1
284 1 28 THR H 1 31 ASP H 4.260 . 4.760 3.403 3.343 3.482 . 0 0 "[ . 1 . 2]" 1
285 1 28 THR H 1 31 ASP HB2 3.990 . 4.490 2.623 2.494 2.876 . 0 0 "[ . 1 . 2]" 1
286 1 28 THR H 1 31 ASP HB3 4.200 . 4.700 4.017 3.896 4.219 . 0 0 "[ . 1 . 2]" 1
287 1 28 THR H 1 32 LEU H 5.000 . 5.500 4.204 4.117 4.395 . 0 0 "[ . 1 . 2]" 1
288 1 28 THR HA 1 29 GLU H 3.340 . 3.840 2.335 2.271 2.369 . 0 0 "[ . 1 . 2]" 1
289 1 28 THR HA 1 29 GLU HB2 5.240 . 5.740 4.762 4.644 4.962 . 0 0 "[ . 1 . 2]" 1
290 1 28 THR HA 1 47 ILE MD 3.990 . 4.490 2.392 2.264 2.486 . 0 0 "[ . 1 . 2]" 1
291 1 28 THR HB 1 29 GLU H 3.340 . 3.840 2.401 2.339 2.443 . 0 0 "[ . 1 . 2]" 1
292 1 28 THR HB 1 29 GLU HB3 5.500 . 6.000 5.515 5.469 5.546 . 0 0 "[ . 1 . 2]" 1
293 1 28 THR HB 1 30 ARG H 3.630 . 4.130 2.685 2.563 2.890 . 0 0 "[ . 1 . 2]" 1
294 1 28 THR HB 1 30 ARG QB 4.730 . 5.230 3.615 3.451 4.019 . 0 0 "[ . 1 . 2]" 1
295 1 28 THR HB 1 47 ILE MD 4.880 . 5.380 3.979 3.841 4.070 . 0 0 "[ . 1 . 2]" 1
296 1 28 THR HG1 1 30 ARG H 4.000 . 4.500 3.470 3.154 3.560 . 0 0 "[ . 1 . 2]" 1
297 1 28 THR HG1 1 30 ARG HB2 4.700 . 5.200 3.113 2.474 3.274 . 0 0 "[ . 1 . 2]" 1
298 1 28 THR HG1 1 30 ARG HB3 4.700 . 5.200 4.682 4.131 4.743 . 0 0 "[ . 1 . 2]" 1
299 1 28 THR HG1 1 31 ASP H 3.950 . 4.450 2.431 2.305 2.749 . 0 0 "[ . 1 . 2]" 1
300 1 28 THR MG 1 29 GLU H 4.580 . 5.080 3.801 3.755 3.819 . 0 0 "[ . 1 . 2]" 1
301 1 28 THR MG 1 30 ARG H 5.310 . 5.810 4.105 4.036 4.307 . 0 0 "[ . 1 . 2]" 1
302 1 28 THR MG 1 31 ASP H 5.510 . 6.010 4.182 4.008 4.607 . 0 0 "[ . 1 . 2]" 1
303 1 28 THR MG 1 47 ILE MD 6.270 . 6.770 4.024 3.850 4.122 . 0 0 "[ . 1 . 2]" 1
304 1 29 GLU H 1 29 GLU HB2 3.710 . 4.210 2.433 2.321 2.671 . 0 0 "[ . 1 . 2]" 1
305 1 29 GLU H 1 29 GLU HB3 3.800 . 4.300 3.575 3.559 3.586 . 0 0 "[ . 1 . 2]" 1
306 1 29 GLU H 1 29 GLU HG2 4.640 . 5.140 3.765 3.639 3.830 . 0 0 "[ . 1 . 2]" 1
307 1 29 GLU H 1 29 GLU QG 4.380 . 4.880 2.605 2.322 3.074 . 0 0 "[ . 1 . 2]" 1
308 1 29 GLU H 1 29 GLU HG3 4.640 . 5.140 2.672 2.349 3.237 . 0 0 "[ . 1 . 2]" 1
309 1 29 GLU H 1 30 ARG H 3.720 . 4.220 2.688 2.663 2.732 . 0 0 "[ . 1 . 2]" 1
310 1 29 GLU H 1 47 ILE MD 4.310 . 4.810 2.507 2.460 2.550 . 0 0 "[ . 1 . 2]" 1
311 1 29 GLU HA 1 29 GLU HG2 3.960 . 4.460 2.917 2.483 3.718 . 0 0 "[ . 1 . 2]" 1
312 1 29 GLU HA 1 29 GLU QG 3.690 . 4.190 2.392 2.317 2.540 . 0 0 "[ . 1 . 2]" 1
313 1 29 GLU HA 1 29 GLU HG3 3.960 . 4.460 2.688 2.505 2.828 . 0 0 "[ . 1 . 2]" 1
314 1 29 GLU HA 1 32 LEU H 4.330 . 4.830 3.557 3.423 3.661 . 0 0 "[ . 1 . 2]" 1
315 1 29 GLU HA 1 32 LEU HB2 3.910 . 4.410 2.652 2.577 2.726 . 0 0 "[ . 1 . 2]" 1
316 1 29 GLU HA 1 32 LEU HB3 4.290 . 4.790 4.240 4.156 4.303 . 0 0 "[ . 1 . 2]" 1
317 1 29 GLU HA 1 32 LEU MD1 4.460 . 4.960 2.567 2.370 2.981 . 0 0 "[ . 1 . 2]" 1
318 1 29 GLU HA 1 32 LEU HG 4.410 . 4.910 3.986 3.773 4.264 . 0 0 "[ . 1 . 2]" 1
319 1 29 GLU HA 1 33 ARG H 4.920 . 5.420 3.934 3.806 4.033 . 0 0 "[ . 1 . 2]" 1
320 1 29 GLU HA 1 45 VAL MG1 3.990 . 4.490 2.436 2.292 2.591 . 0 0 "[ . 1 . 2]" 1
321 1 29 GLU HA 1 47 ILE MD 3.960 . 4.460 2.810 2.636 2.913 . 0 0 "[ . 1 . 2]" 1
322 1 29 GLU HA 1 47 ILE HG12 4.220 . 4.720 4.265 4.247 4.280 . 0 0 "[ . 1 . 2]" 1
323 1 29 GLU HA 1 47 ILE QG 4.030 . 4.530 3.006 2.926 3.106 . 0 0 "[ . 1 . 2]" 1
324 1 29 GLU HA 1 47 ILE HG13 4.220 . 4.720 3.073 2.982 3.189 . 0 0 "[ . 1 . 2]" 1
325 1 29 GLU HB2 1 30 ARG H 3.570 . 4.070 2.974 2.840 3.087 . 0 0 "[ . 1 . 2]" 1
326 1 29 GLU HB2 1 45 VAL MG1 5.220 . 5.720 4.125 3.918 4.347 . 0 0 "[ . 1 . 2]" 1
327 1 29 GLU HB2 1 47 ILE MD 5.150 . 5.650 4.044 3.891 4.295 . 0 0 "[ . 1 . 2]" 1
328 1 29 GLU HB3 1 30 ARG H 4.190 . 4.690 3.846 3.767 3.935 . 0 0 "[ . 1 . 2]" 1
329 1 29 GLU HB3 1 45 VAL HA 5.500 . 6.000 5.129 4.886 5.346 . 0 0 "[ . 1 . 2]" 1
330 1 29 GLU HB3 1 45 VAL MG1 5.580 . 6.080 2.836 2.480 3.121 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLU HB3 1 45 VAL MG2 5.340 . 5.840 3.954 3.686 4.244 . 0 0 "[ . 1 . 2]" 1
332 1 29 GLU HB3 1 47 ILE MD 5.220 . 5.720 4.390 4.364 4.408 . 0 0 "[ . 1 . 2]" 1
333 1 29 GLU QG 1 45 VAL HB 4.530 . 5.030 3.474 3.179 4.042 . 0 0 "[ . 1 . 2]" 1
334 1 29 GLU QG 1 45 VAL MG1 4.500 . 5.000 2.435 2.201 2.950 . 0 0 "[ . 1 . 2]" 1
335 1 29 GLU QG 1 47 ILE H 4.960 . 5.460 2.486 2.281 2.659 . 0 0 "[ . 1 . 2]" 1
336 1 29 GLU QG 1 47 ILE HB 4.380 . 4.880 2.940 2.595 3.371 . 0 0 "[ . 1 . 2]" 1
337 1 29 GLU QG 1 47 ILE MD 4.460 . 4.960 2.373 2.108 2.845 . 0 0 "[ . 1 . 2]" 1
338 1 29 GLU QG 1 47 ILE QG 4.380 . 4.880 2.109 2.029 2.211 . 0 0 "[ . 1 . 2]" 1
339 1 29 GLU HG2 1 45 VAL HB 4.700 . 5.200 3.638 3.230 4.467 . 0 0 "[ . 1 . 2]" 1
340 1 29 GLU HG2 1 45 VAL MG1 4.590 . 5.090 2.703 2.218 3.624 . 0 0 "[ . 1 . 2]" 1
341 1 29 GLU HG2 1 47 ILE HB 4.510 . 5.010 3.941 3.483 4.512 . 0 0 "[ . 1 . 2]" 1
342 1 29 GLU HG2 1 47 ILE MD 4.910 . 5.410 3.556 3.221 4.100 . 0 0 "[ . 1 . 2]" 1
343 1 29 GLU HG3 1 45 VAL HB 4.700 . 5.200 4.680 4.291 4.764 . 0 0 "[ . 1 . 2]" 1
344 1 29 GLU HG3 1 45 VAL MG1 4.590 . 5.090 3.428 2.729 3.726 . 0 0 "[ . 1 . 2]" 1
345 1 29 GLU HG3 1 47 ILE HB 4.510 . 5.010 3.036 2.678 3.481 . 0 0 "[ . 1 . 2]" 1
346 1 29 GLU HG3 1 47 ILE MD 4.910 . 5.410 2.411 2.134 2.901 . 0 0 "[ . 1 . 2]" 1
347 1 30 ARG H 1 30 ARG HB2 3.790 . 4.290 2.460 2.405 2.582 . 0 0 "[ . 1 . 2]" 1
348 1 30 ARG H 1 30 ARG QB 3.290 . 3.790 2.420 2.370 2.525 . 0 0 "[ . 1 . 2]" 1
349 1 30 ARG H 1 30 ARG HB3 3.790 . 4.290 3.591 3.561 3.619 . 0 0 "[ . 1 . 2]" 1
350 1 30 ARG H 1 30 ARG QD 5.580 . 6.080 3.908 1.955 4.322 . 0 0 "[ . 1 . 2]" 1
351 1 30 ARG H 1 30 ARG QG 3.430 . 3.930 2.345 1.959 3.066 . 0 0 "[ . 1 . 2]" 1
352 1 30 ARG H 1 31 ASP H 3.500 . 4.000 2.624 2.546 2.751 . 0 0 "[ . 1 . 2]" 1
353 1 30 ARG HA 1 30 ARG QD 4.200 . 4.700 3.467 2.096 3.894 . 0 0 "[ . 1 . 2]" 1
354 1 30 ARG HA 1 30 ARG HG2 3.710 . 4.210 2.593 2.334 3.596 . 0 0 "[ . 1 . 2]" 1
355 1 30 ARG HA 1 30 ARG QG 3.590 . 4.090 2.454 2.271 3.000 . 0 0 "[ . 1 . 2]" 1
356 1 30 ARG HA 1 30 ARG HG3 3.710 . 4.210 3.232 2.471 3.749 . 0 0 "[ . 1 . 2]" 1
357 1 30 ARG HA 1 33 ARG H 4.070 . 4.570 3.484 3.274 3.866 . 0 0 "[ . 1 . 2]" 1
358 1 30 ARG HA 1 33 ARG QB 3.930 . 4.370 2.615 2.360 3.012 . 0 0 "[ . 1 . 2]" 1
359 1 30 ARG QB 1 31 ASP H 3.630 . 4.130 2.649 2.399 2.756 . 0 0 "[ . 1 . 2]" 1
360 1 30 ARG HB2 1 31 ASP H 3.730 . 4.230 2.716 2.434 2.841 . 0 0 "[ . 1 . 2]" 1
361 1 30 ARG HB3 1 31 ASP H 3.730 . 4.230 3.694 3.622 3.747 . 0 0 "[ . 1 . 2]" 1
362 1 30 ARG QG 1 31 ASP H 4.920 . 5.420 4.161 3.907 4.413 . 0 0 "[ . 1 . 2]" 1
363 1 30 ARG HG2 1 31 ASP H 5.090 . 5.590 4.897 4.472 5.096 . 0 0 "[ . 1 . 2]" 1
364 1 30 ARG HG3 1 31 ASP H 5.090 . 5.590 4.567 4.111 5.103 . 0 0 "[ . 1 . 2]" 1
365 1 31 ASP H 1 31 ASP HB2 3.570 . 4.070 2.572 2.549 2.616 . 0 0 "[ . 1 . 2]" 1
366 1 31 ASP H 1 31 ASP HB3 3.740 . 4.240 3.650 3.606 3.665 . 0 0 "[ . 1 . 2]" 1
367 1 31 ASP H 1 32 LEU H 3.600 . 4.100 2.686 2.613 2.782 . 0 0 "[ . 1 . 2]" 1
368 1 31 ASP HA 1 34 GLU H 4.080 . 4.580 3.400 3.344 3.433 . 0 0 "[ . 1 . 2]" 1
369 1 31 ASP HA 1 34 GLU HB3 3.680 . 4.180 3.776 3.767 3.784 . 0 0 "[ . 1 . 2]" 1
370 1 31 ASP HA 1 34 GLU HG2 4.460 . 4.960 2.064 2.052 2.097 . 0 0 "[ . 1 . 2]" 1
371 1 31 ASP HA 1 34 GLU QG 4.370 . 4.870 2.054 2.042 2.087 . 0 0 "[ . 1 . 2]" 1
372 1 31 ASP HA 1 34 GLU HG3 4.460 . 4.960 3.707 3.688 3.747 . 0 0 "[ . 1 . 2]" 1
373 1 31 ASP HA 1 35 VAL H 4.490 . 4.990 4.068 4.004 4.160 . 0 0 "[ . 1 . 2]" 1
374 1 31 ASP HB2 1 32 LEU H 3.830 . 4.330 2.420 2.371 2.458 . 0 0 "[ . 1 . 2]" 1
375 1 31 ASP HB2 1 82 LEU MD1 6.040 . 6.540 3.982 3.641 4.198 . 0 0 "[ . 1 . 2]" 1
376 1 31 ASP HB3 1 32 LEU H 4.020 . 4.520 3.531 3.472 3.617 . 0 0 "[ . 1 . 2]" 1
377 1 31 ASP HB3 1 82 LEU MD1 4.610 . 5.110 2.963 2.593 3.238 . 0 0 "[ . 1 . 2]" 1
378 1 32 LEU H 1 32 LEU HB2 3.440 . 3.940 2.337 2.291 2.405 . 0 0 "[ . 1 . 2]" 1
379 1 32 LEU H 1 32 LEU HB3 3.780 . 4.280 3.575 3.560 3.597 . 0 0 "[ . 1 . 2]" 1
380 1 32 LEU H 1 32 LEU MD1 4.820 . 5.320 3.485 3.386 3.608 . 0 0 "[ . 1 . 2]" 1
381 1 32 LEU H 1 32 LEU MD2 4.780 . 5.280 3.647 3.548 3.740 . 0 0 "[ . 1 . 2]" 1
382 1 32 LEU H 1 32 LEU HG 3.530 . 4.030 2.406 2.318 2.530 . 0 0 "[ . 1 . 2]" 1
383 1 32 LEU H 1 33 ARG H 3.700 . 4.200 2.861 2.803 2.905 . 0 0 "[ . 1 . 2]" 1
384 1 32 LEU H 1 45 VAL MG1 5.320 . 5.820 4.061 3.939 4.225 . 0 0 "[ . 1 . 2]" 1
385 1 32 LEU HA 1 32 LEU MD2 3.650 . 4.150 2.150 2.106 2.181 . 0 0 "[ . 1 . 2]" 1
386 1 32 LEU HA 1 32 LEU HG 3.860 . 4.360 2.955 2.873 3.032 . 0 0 "[ . 1 . 2]" 1
387 1 32 LEU HA 1 35 VAL H 4.130 . 4.630 3.496 3.400 3.557 . 0 0 "[ . 1 . 2]" 1
388 1 32 LEU HA 1 35 VAL HB 3.610 . 4.110 2.561 2.433 2.626 . 0 0 "[ . 1 . 2]" 1
389 1 32 LEU HA 1 35 VAL MG2 4.230 . 4.730 3.550 3.537 3.564 . 0 0 "[ . 1 . 2]" 1
390 1 32 LEU HA 1 36 PHE QD 4.660 . 5.160 3.004 2.776 3.190 . 0 0 "[ . 1 . 2]" 1
391 1 32 LEU HA 1 82 LEU MD1 5.100 . 5.600 4.209 3.703 4.269 . 0 0 "[ . 1 . 2]" 1
392 1 32 LEU HA 1 82 LEU MD2 4.840 . 5.340 3.451 3.193 3.777 . 0 0 "[ . 1 . 2]" 1
393 1 32 LEU HB2 1 33 ARG H 3.330 . 3.830 2.634 2.549 2.788 . 0 0 "[ . 1 . 2]" 1
394 1 32 LEU HB2 1 45 VAL MG1 3.780 . 4.280 2.131 2.094 2.164 . 0 0 "[ . 1 . 2]" 1
395 1 32 LEU HB2 1 47 ILE MD 5.990 . 6.490 4.074 3.688 4.300 . 0 0 "[ . 1 . 2]" 1
396 1 32 LEU HB2 1 62 VAL MG2 6.090 . 6.590 3.985 3.832 4.087 . 0 0 "[ . 1 . 2]" 1
397 1 32 LEU HB3 1 33 ARG H 4.070 . 4.570 3.491 3.391 3.604 . 0 0 "[ . 1 . 2]" 1
398 1 32 LEU HB3 1 45 VAL MG1 4.320 . 4.820 2.555 2.432 2.637 . 0 0 "[ . 1 . 2]" 1
399 1 32 LEU HB3 1 62 VAL MG2 5.370 . 5.870 2.822 2.660 3.020 . 0 0 "[ . 1 . 2]" 1
400 1 32 LEU MD1 1 36 PHE QE 7.080 . 7.580 4.960 4.600 5.189 . 0 0 "[ . 1 . 2]" 1
401 1 32 LEU MD1 1 47 ILE QG 4.500 . 5.000 2.199 2.064 2.414 . 0 0 "[ . 1 . 2]" 1
402 1 32 LEU MD1 1 60 ALA MB 4.600 . 5.100 2.065 1.965 2.139 . 0 0 "[ . 1 . 2]" 1
403 1 32 LEU MD1 1 62 VAL MG2 5.710 . 6.210 3.221 2.926 3.369 . 0 0 "[ . 1 . 2]" 1
404 1 32 LEU MD1 1 82 LEU MD2 6.810 . 7.310 3.948 3.578 4.134 . 0 0 "[ . 1 . 2]" 1
405 1 32 LEU MD2 1 36 PHE QD 5.200 . 5.700 3.392 3.110 3.581 . 0 0 "[ . 1 . 2]" 1
406 1 32 LEU MD2 1 36 PHE QE 4.520 . 5.020 2.711 2.431 2.931 . 0 0 "[ . 1 . 2]" 1
407 1 33 ARG H 1 33 ARG HG2 4.860 . 5.360 4.557 4.120 4.636 . 0 0 "[ . 1 . 2]" 1
408 1 33 ARG H 1 33 ARG QG 4.690 . 5.190 3.945 3.823 3.986 . 0 0 "[ . 1 . 2]" 1
409 1 33 ARG H 1 33 ARG HG3 4.860 . 5.360 4.336 4.237 4.529 . 0 0 "[ . 1 . 2]" 1
410 1 33 ARG H 1 34 GLU H 3.610 . 4.110 2.978 2.949 3.028 . 0 0 "[ . 1 . 2]" 1
411 1 33 ARG H 1 45 VAL MG2 4.760 . 5.260 2.983 2.754 3.296 . 0 0 "[ . 1 . 2]" 1
412 1 33 ARG HA 1 33 ARG HD2 4.820 . 5.320 4.311 3.699 4.728 . 0 0 "[ . 1 . 2]" 1
413 1 33 ARG HA 1 33 ARG QD 4.660 . 5.160 3.786 2.557 3.994 . 0 0 "[ . 1 . 2]" 1
414 1 33 ARG HA 1 33 ARG HD3 4.820 . 5.320 4.316 2.606 4.645 . 0 0 "[ . 1 . 2]" 1
415 1 33 ARG HA 1 33 ARG HG2 3.610 . 4.110 2.939 2.355 3.085 . 0 0 "[ . 1 . 2]" 1
416 1 33 ARG HA 1 33 ARG HG3 3.610 . 4.110 2.467 2.279 3.617 . 0 0 "[ . 1 . 2]" 1
417 1 33 ARG HA 1 36 PHE H 4.180 . 4.680 3.577 3.357 3.695 . 0 0 "[ . 1 . 2]" 1
418 1 33 ARG HA 1 36 PHE QB 5.080 . 5.580 3.302 3.040 3.464 . 0 0 "[ . 1 . 2]" 1
419 1 33 ARG HA 1 42 ILE MD 4.550 . 5.050 3.011 2.616 3.241 . 0 0 "[ . 1 . 2]" 1
420 1 33 ARG HA 1 42 ILE MG 5.400 . 5.900 3.423 3.250 3.657 . 0 0 "[ . 1 . 2]" 1
421 1 33 ARG HA 1 45 VAL MG2 4.370 . 4.870 2.506 2.311 2.724 . 0 0 "[ . 1 . 2]" 1
422 1 33 ARG QB 1 34 GLU H 4.030 . 4.530 2.664 2.521 2.843 . 0 0 "[ . 1 . 2]" 1
423 1 33 ARG QB 1 45 VAL MG2 4.080 . 4.580 2.239 2.156 2.409 . 0 0 "[ . 1 . 2]" 1
424 1 33 ARG HD2 1 45 VAL MG2 5.610 . 6.110 3.384 2.623 4.692 . 0 0 "[ . 1 . 2]" 1
425 1 33 ARG HD3 1 45 VAL MG2 5.610 . 6.110 3.769 2.963 4.403 . 0 0 "[ . 1 . 2]" 1
426 1 33 ARG QG 1 42 ILE MG 4.970 . 5.470 2.492 2.267 2.908 . 0 0 "[ . 1 . 2]" 1
427 1 33 ARG QG 1 45 VAL MG2 4.370 . 4.870 2.562 2.191 2.713 . 0 0 "[ . 1 . 2]" 1
428 1 33 ARG HG2 1 42 ILE MG 5.300 . 5.800 3.767 2.454 4.397 . 0 0 "[ . 1 . 2]" 1
429 1 33 ARG HG2 1 45 VAL MG2 4.800 . 5.300 3.779 2.243 4.020 . 0 0 "[ . 1 . 2]" 1
430 1 33 ARG HG3 1 42 ILE MG 5.300 . 5.800 2.649 2.289 3.747 . 0 0 "[ . 1 . 2]" 1
431 1 33 ARG HG3 1 45 VAL MG2 4.800 . 5.300 2.686 2.373 3.168 . 0 0 "[ . 1 . 2]" 1
432 1 34 GLU H 1 34 GLU HB3 3.010 . 3.510 2.431 2.399 2.472 . 0 0 "[ . 1 . 2]" 1
433 1 34 GLU H 1 34 GLU HG2 3.690 . 4.190 2.722 2.710 2.742 . 0 0 "[ . 1 . 2]" 1
434 1 34 GLU H 1 34 GLU QG 3.630 . 4.130 2.658 2.648 2.676 . 0 0 "[ . 1 . 2]" 1
435 1 34 GLU H 1 34 GLU HG3 3.690 . 4.190 3.726 3.715 3.734 . 0 0 "[ . 1 . 2]" 1
436 1 34 GLU H 1 35 VAL H 3.610 . 4.110 2.703 2.674 2.751 . 0 0 "[ . 1 . 2]" 1
437 1 34 GLU HA 1 34 GLU HG2 3.910 . 4.410 3.923 3.916 3.932 . 0 0 "[ . 1 . 2]" 1
438 1 34 GLU HA 1 34 GLU HG3 3.910 . 4.410 3.696 3.688 3.709 . 0 0 "[ . 1 . 2]" 1
439 1 34 GLU HA 1 37 SER H 4.490 . 4.990 3.684 3.567 3.817 . 0 0 "[ . 1 . 2]" 1
440 1 34 GLU HA 1 37 SER HG 4.250 . 4.750 2.865 2.359 3.607 . 0 0 "[ . 1 . 2]" 1
441 1 34 GLU HA 1 38 LYS H 6.000 3.000 6.500 4.857 4.606 5.066 . 0 0 "[ . 1 . 2]" 1
442 1 34 GLU HB2 1 35 VAL H 4.320 . 4.820 4.105 4.070 4.135 . 0 0 "[ . 1 . 2]" 1
443 1 34 GLU HB2 1 35 VAL HA 4.860 . 5.360 4.888 4.879 4.895 . 0 0 "[ . 1 . 2]" 1
444 1 34 GLU HB2 1 35 VAL MG2 5.260 . 5.760 4.431 4.422 4.446 . 0 0 "[ . 1 . 2]" 1
445 1 34 GLU HB3 1 35 VAL H 4.190 . 4.690 3.982 3.948 4.027 . 0 0 "[ . 1 . 2]" 1
446 1 34 GLU HB3 1 35 VAL MG2 5.690 . 6.190 4.634 4.598 4.705 . 0 0 "[ . 1 . 2]" 1
447 1 34 GLU QG 1 35 VAL HA 4.680 . 5.180 3.332 3.297 3.381 . 0 0 "[ . 1 . 2]" 1
448 1 34 GLU HG2 1 35 VAL H 4.370 . 4.870 2.930 2.877 3.010 . 0 0 "[ . 1 . 2]" 1
449 1 34 GLU HG2 1 35 VAL HA 4.780 . 5.280 4.679 4.627 4.745 . 0 0 "[ . 1 . 2]" 1
450 1 34 GLU HG3 1 35 VAL H 4.370 . 4.870 2.866 2.807 2.921 . 0 0 "[ . 1 . 2]" 1
451 1 34 GLU HG3 1 35 VAL HA 4.780 . 5.280 3.411 3.372 3.461 . 0 0 "[ . 1 . 2]" 1
452 1 35 VAL H 1 35 VAL HB 3.310 . 3.810 2.306 2.262 2.324 . 0 0 "[ . 1 . 2]" 1
453 1 35 VAL H 1 35 VAL MG1 4.560 . 5.060 3.749 3.726 3.761 . 0 0 "[ . 1 . 2]" 1
454 1 35 VAL H 1 35 VAL MG2 3.640 . 4.140 2.367 2.328 2.420 . 0 0 "[ . 1 . 2]" 1
455 1 35 VAL H 1 36 PHE H 3.540 . 4.040 2.651 2.613 2.689 . 0 0 "[ . 1 . 2]" 1
456 1 35 VAL HA 1 35 VAL MG2 3.510 . 4.010 2.324 2.284 2.345 . 0 0 "[ . 1 . 2]" 1
457 1 35 VAL HA 1 37 SER H 100.000 4.000 100.500 4.716 4.605 4.802 . 0 0 "[ . 1 . 2]" 1
458 1 35 VAL HA 1 38 LYS QE 4.690 . 5.190 3.314 2.284 4.238 . 0 0 "[ . 1 . 2]" 1
459 1 35 VAL HB 1 36 PHE H 3.660 . 4.160 3.010 2.947 3.048 . 0 0 "[ . 1 . 2]" 1
460 1 35 VAL HB 1 36 PHE QD 4.840 . 5.340 2.590 2.425 2.776 . 0 0 "[ . 1 . 2]" 1
461 1 35 VAL HB 1 82 LEU MD2 5.990 . 6.490 3.908 3.495 4.538 . 0 0 "[ . 1 . 2]" 1
462 1 35 VAL MG1 1 36 PHE H 4.670 . 5.170 3.567 3.497 3.615 . 0 0 "[ . 1 . 2]" 1
463 1 35 VAL MG1 1 36 PHE HA 4.900 . 5.400 3.662 3.568 3.718 . 0 0 "[ . 1 . 2]" 1
464 1 35 VAL MG1 1 36 PHE QD 5.320 . 5.820 2.571 2.468 2.663 . 0 0 "[ . 1 . 2]" 1
465 1 35 VAL MG1 1 36 PHE QE 5.460 . 5.960 2.873 2.781 2.939 . 0 0 "[ . 1 . 2]" 1
466 1 35 VAL MG1 1 38 LYS QE 6.630 . 7.130 3.146 2.878 4.083 . 0 0 "[ . 1 . 2]" 1
467 1 35 VAL MG1 1 39 TYR QE 5.590 . 6.090 3.450 3.180 3.649 . 0 0 "[ . 1 . 2]" 1
468 1 35 VAL MG1 1 77 ALA MB 5.440 . 5.940 3.337 2.812 3.648 . 0 0 "[ . 1 . 2]" 1
469 1 35 VAL MG1 1 80 MET ME 4.210 . 4.710 2.020 1.981 2.102 . 0 0 "[ . 1 . 2]" 1
470 1 35 VAL MG1 1 82 LEU MD2 7.200 . 7.700 3.064 2.543 3.840 . 0 0 "[ . 1 . 2]" 1
471 1 35 VAL MG1 1 87 ILE MD 5.580 . 6.080 3.350 3.132 3.552 . 0 0 "[ . 1 . 2]" 1
472 1 35 VAL MG2 1 36 PHE H 5.010 . 5.510 4.154 4.127 4.173 . 0 0 "[ . 1 . 2]" 1
473 1 35 VAL MG2 1 80 MET ME 5.060 . 5.560 3.229 2.705 3.457 . 0 0 "[ . 1 . 2]" 1
474 1 36 PHE H 1 36 PHE HB2 3.900 . 4.400 2.340 2.318 2.362 . 0 0 "[ . 1 . 2]" 1
475 1 36 PHE H 1 36 PHE HB3 3.900 . 4.400 3.580 3.565 3.595 . 0 0 "[ . 1 . 2]" 1
476 1 36 PHE H 1 36 PHE QD 4.320 . 4.820 2.609 2.497 2.722 . 0 0 "[ . 1 . 2]" 1
477 1 36 PHE H 1 42 ILE MD 5.250 . 5.750 3.757 3.592 3.846 . 0 0 "[ . 1 . 2]" 1
478 1 36 PHE HA 1 38 LYS H 4.360 . 4.860 3.873 3.734 4.003 . 0 0 "[ . 1 . 2]" 1
479 1 36 PHE HA 1 39 TYR QD 3.740 . 4.240 2.235 2.192 2.315 . 0 0 "[ . 1 . 2]" 1
480 1 36 PHE HA 1 39 TYR QE 4.150 . 4.650 2.773 2.585 3.389 . 0 0 "[ . 1 . 2]" 1
481 1 36 PHE QB 1 64 PHE QE 5.030 . 5.530 3.174 2.928 3.560 . 0 0 "[ . 1 . 2]" 1
482 1 36 PHE QB 1 64 PHE HZ 4.360 . 4.860 2.402 2.325 2.564 . 0 0 "[ . 1 . 2]" 1
483 1 36 PHE HB2 1 42 ILE MD 4.410 . 4.910 2.527 2.392 2.606 . 0 0 "[ . 1 . 2]" 1
484 1 36 PHE HB2 1 62 VAL MG1 5.160 . 5.660 2.819 2.630 3.078 . 0 0 "[ . 1 . 2]" 1
485 1 36 PHE HB2 1 64 PHE HZ 4.610 . 5.110 4.149 4.076 4.258 . 0 0 "[ . 1 . 2]" 1
486 1 36 PHE HB3 1 42 ILE MD 4.410 . 4.910 2.194 2.114 2.301 . 0 0 "[ . 1 . 2]" 1
487 1 36 PHE HB3 1 62 VAL MG1 5.160 . 5.660 2.614 2.489 2.778 . 0 0 "[ . 1 . 2]" 1
488 1 36 PHE HB3 1 64 PHE HZ 4.610 . 5.110 2.417 2.338 2.585 . 0 0 "[ . 1 . 2]" 1
489 1 36 PHE QD 1 39 TYR QD 5.350 . 5.850 3.436 3.198 3.729 . 0 0 "[ . 1 . 2]" 1
490 1 36 PHE QD 1 42 ILE MD 5.680 . 6.180 3.733 3.614 3.899 . 0 0 "[ . 1 . 2]" 1
491 1 36 PHE QD 1 62 VAL MG1 6.460 . 6.960 2.983 2.784 3.199 . 0 0 "[ . 1 . 2]" 1
492 1 36 PHE QD 1 62 VAL MG2 6.040 . 6.540 3.337 3.162 3.460 . 0 0 "[ . 1 . 2]" 1
493 1 36 PHE QD 1 73 ALA MB 4.640 . 5.140 2.347 2.236 2.394 . 0 0 "[ . 1 . 2]" 1
494 1 36 PHE QE 1 62 VAL MG2 5.800 . 6.300 3.646 3.515 3.846 . 0 0 "[ . 1 . 2]" 1
495 1 36 PHE QE 1 73 ALA MB 5.060 . 5.560 3.161 2.931 3.425 . 0 0 "[ . 1 . 2]" 1
496 1 36 PHE QE 1 77 ALA MB 4.410 . 4.910 2.831 2.702 2.979 . 0 0 "[ . 1 . 2]" 1
497 1 36 PHE QE 1 87 ILE MD 4.920 . 5.420 2.881 2.694 3.194 . 0 0 "[ . 1 . 2]" 1
498 1 36 PHE QE 1 89 VAL MG1 5.120 . 5.620 2.280 2.197 2.430 . 0 0 "[ . 1 . 2]" 1
499 1 36 PHE HZ 1 77 ALA MB 4.190 . 4.690 2.638 2.525 2.814 . 0 0 "[ . 1 . 2]" 1
500 1 36 PHE HZ 1 87 ILE MD 4.640 . 5.140 3.068 2.813 3.592 . 0 0 "[ . 1 . 2]" 1
501 1 36 PHE HZ 1 89 VAL MG2 3.990 . 4.490 2.235 2.138 2.318 . 0 0 "[ . 1 . 2]" 1
502 1 37 SER H 1 37 SER HB2 3.670 . 4.170 3.431 2.537 3.691 . 0 0 "[ . 1 . 2]" 1
503 1 37 SER H 1 37 SER HB3 3.670 . 4.170 2.826 2.528 3.665 . 0 0 "[ . 1 . 2]" 1
504 1 37 SER H 1 37 SER HG 4.090 . 4.590 2.819 2.153 3.543 . 0 0 "[ . 1 . 2]" 1
505 1 37 SER H 1 38 LYS H 3.630 . 4.130 2.792 2.759 2.822 . 0 0 "[ . 1 . 2]" 1
506 1 37 SER H 1 42 ILE MD 4.800 . 5.300 2.804 2.729 2.905 . 0 0 "[ . 1 . 2]" 1
507 1 37 SER HA 1 40 GLY H 3.940 . 4.440 3.120 2.945 3.222 . 0 0 "[ . 1 . 2]" 1
508 1 37 SER HA 1 42 ILE MD 4.540 . 5.040 2.411 2.352 2.487 . 0 0 "[ . 1 . 2]" 1
509 1 37 SER HA 1 42 ILE HG12 4.590 . 5.090 4.343 4.229 4.481 . 0 0 "[ . 1 . 2]" 1
510 1 37 SER HA 1 42 ILE QG 4.480 . 4.980 2.849 2.710 2.986 . 0 0 "[ . 1 . 2]" 1
511 1 37 SER HA 1 42 ILE HG13 4.590 . 5.090 2.889 2.743 3.032 . 0 0 "[ . 1 . 2]" 1
512 1 37 SER QB 1 38 LYS H 4.760 . 5.260 3.659 3.102 3.892 . 0 0 "[ . 1 . 2]" 1
513 1 37 SER QB 1 42 ILE MD 5.370 . 5.870 2.567 2.177 3.534 . 0 0 "[ . 1 . 2]" 1
514 1 37 SER HB2 1 42 ILE MD 5.740 . 6.240 3.659 3.514 4.011 . 0 0 "[ . 1 . 2]" 1
515 1 37 SER HB3 1 42 ILE MD 5.740 . 6.240 2.672 2.198 3.952 . 0 0 "[ . 1 . 2]" 1
516 1 38 LYS H 1 38 LYS QB 3.450 . 3.950 2.514 2.454 2.762 . 0 0 "[ . 1 . 2]" 1
517 1 38 LYS H 1 38 LYS QD 5.030 . 5.530 3.741 3.620 4.008 . 0 0 "[ . 1 . 2]" 1
518 1 38 LYS H 1 38 LYS HG2 4.030 . 4.530 2.160 1.998 2.220 . 0 0 "[ . 1 . 2]" 1
519 1 38 LYS H 1 38 LYS QG 3.840 . 4.340 2.136 1.952 2.199 . 0 0 "[ . 1 . 2]" 1
520 1 38 LYS H 1 38 LYS HG3 4.030 . 4.530 3.381 2.739 3.541 . 0 0 "[ . 1 . 2]" 1
521 1 38 LYS H 1 39 TYR H 3.530 . 4.030 2.693 2.635 2.734 . 0 0 "[ . 1 . 2]" 1
522 1 38 LYS HA 1 38 LYS QD 4.710 . 5.210 4.223 4.203 4.227 . 0 0 "[ . 1 . 2]" 1
523 1 38 LYS HA 1 38 LYS HG2 4.170 . 4.670 3.791 3.766 3.831 . 0 0 "[ . 1 . 2]" 1
524 1 38 LYS HA 1 38 LYS HG3 4.170 . 4.670 3.786 3.770 3.807 . 0 0 "[ . 1 . 2]" 1
525 1 38 LYS HA 1 40 GLY H 4.810 . 5.310 3.939 3.741 4.061 . 0 0 "[ . 1 . 2]" 1
526 1 38 LYS QB 1 39 TYR H 4.360 . 4.860 3.831 3.793 3.889 . 0 0 "[ . 1 . 2]" 1
527 1 38 LYS QB 1 39 TYR QD 5.960 . 6.460 4.718 4.530 4.746 . 0 0 "[ . 1 . 2]" 1
528 1 38 LYS QB 1 39 TYR QE 6.490 . 6.990 4.899 4.673 4.979 . 0 0 "[ . 1 . 2]" 1
529 1 38 LYS QD 1 39 TYR QE 6.010 . 6.510 4.195 3.726 4.316 . 0 0 "[ . 1 . 2]" 1
530 1 38 LYS QE 1 39 TYR QE 5.480 . 5.980 2.762 2.545 3.846 . 0 0 "[ . 1 . 2]" 1
531 1 38 LYS QG 1 39 TYR H 4.470 . 4.970 2.908 2.803 3.114 . 0 0 "[ . 1 . 2]" 1
532 1 38 LYS QG 1 39 TYR QD 5.480 . 5.980 3.244 3.149 3.670 . 0 0 "[ . 1 . 2]" 1
533 1 38 LYS QG 1 39 TYR QE 5.130 . 5.630 3.207 3.140 3.506 . 0 0 "[ . 1 . 2]" 1
534 1 38 LYS HG2 1 39 TYR QD 5.580 . 6.080 4.045 3.798 4.971 . 0 0 "[ . 1 . 2]" 1
535 1 38 LYS HG2 1 39 TYR QE 5.430 . 5.930 3.976 3.824 4.764 . 0 0 "[ . 1 . 2]" 1
536 1 38 LYS HG3 1 39 TYR QD 5.580 . 6.080 3.419 3.312 3.779 . 0 0 "[ . 1 . 2]" 1
537 1 38 LYS HG3 1 39 TYR QE 5.430 . 5.930 3.388 3.300 3.609 . 0 0 "[ . 1 . 2]" 1
538 1 39 TYR H 1 39 TYR HB2 3.830 . 4.330 2.549 2.515 2.572 . 0 0 "[ . 1 . 2]" 1
539 1 39 TYR H 1 39 TYR HB3 3.830 . 4.330 3.674 3.653 3.693 . 0 0 "[ . 1 . 2]" 1
540 1 39 TYR H 1 39 TYR QD 3.960 . 4.460 3.216 3.154 3.320 . 0 0 "[ . 1 . 2]" 1
541 1 39 TYR H 1 39 TYR QE 5.300 . 5.800 4.694 4.637 4.741 . 0 0 "[ . 1 . 2]" 1
542 1 39 TYR H 1 40 GLY H 3.240 . 3.740 2.359 2.304 2.404 . 0 0 "[ . 1 . 2]" 1
543 1 39 TYR HA 1 39 TYR QD 3.640 . 4.140 2.377 2.308 2.399 . 0 0 "[ . 1 . 2]" 1
544 1 39 TYR HA 1 39 TYR QE 5.410 . 5.910 4.581 4.510 4.622 . 0 0 "[ . 1 . 2]" 1
545 1 39 TYR HA 1 73 ALA MB 5.570 . 6.070 4.619 4.532 4.645 . 0 0 "[ . 1 . 2]" 1
546 1 39 TYR QB 1 40 GLY H 4.220 . 4.720 3.266 3.167 3.350 . 0 0 "[ . 1 . 2]" 1
547 1 39 TYR QB 1 64 PHE QE 5.490 . 5.990 2.749 2.579 3.103 . 0 0 "[ . 1 . 2]" 1
548 1 39 TYR QB 1 73 ALA MB 4.350 . 4.850 2.121 2.076 2.175 . 0 0 "[ . 1 . 2]" 1
549 1 39 TYR HB2 1 40 GLY H 4.300 . 4.800 3.388 3.273 3.492 . 0 0 "[ . 1 . 2]" 1
550 1 39 TYR HB2 1 73 ALA MB 4.530 . 5.030 2.247 2.189 2.340 . 0 0 "[ . 1 . 2]" 1
551 1 39 TYR HB3 1 40 GLY H 4.300 . 4.800 4.282 4.216 4.324 . 0 0 "[ . 1 . 2]" 1
552 1 39 TYR HB3 1 73 ALA MB 4.530 . 5.030 2.606 2.467 2.665 . 0 0 "[ . 1 . 2]" 1
553 1 39 TYR QD 1 72 GLU HG2 4.670 . 5.170 3.749 3.563 4.082 . 0 0 "[ . 1 . 2]" 1
554 1 39 TYR QD 1 72 GLU HG3 4.400 . 4.900 3.381 3.180 3.541 . 0 0 "[ . 1 . 2]" 1
555 1 39 TYR QD 1 73 ALA HA 4.480 . 4.980 3.174 2.962 3.318 . 0 0 "[ . 1 . 2]" 1
556 1 39 TYR QD 1 73 ALA MB 4.450 . 4.950 2.260 2.198 2.390 . 0 0 "[ . 1 . 2]" 1
557 1 39 TYR QD 1 76 ARG QD 6.020 . 6.520 3.659 3.365 4.034 . 0 0 "[ . 1 . 2]" 1
558 1 39 TYR QD 1 76 ARG QG 5.730 . 6.230 2.923 2.787 3.103 . 0 0 "[ . 1 . 2]" 1
559 1 39 TYR HD1 1 73 ALA HA 5.000 . 5.500 4.251 4.091 4.433 . 0 0 "[ . 1 . 2]" 1
560 1 39 TYR HD2 1 73 ALA HA 5.000 . 5.500 3.281 3.016 3.483 . 0 0 "[ . 1 . 2]" 1
561 1 39 TYR QE 1 72 GLU HG3 5.310 . 5.810 4.754 4.739 4.760 . 0 0 "[ . 1 . 2]" 1
562 1 39 TYR QE 1 73 ALA HA 4.710 . 5.210 3.795 3.677 3.985 . 0 0 "[ . 1 . 2]" 1
563 1 39 TYR QE 1 73 ALA MB 5.820 . 6.320 3.538 3.339 3.805 . 0 0 "[ . 1 . 2]" 1
564 1 39 TYR QE 1 76 ARG HB2 4.460 . 4.960 3.371 3.232 3.454 . 0 0 "[ . 1 . 2]" 1
565 1 39 TYR QE 1 76 ARG QB 4.370 . 4.870 2.655 2.481 2.883 . 0 0 "[ . 1 . 2]" 1
566 1 39 TYR QE 1 76 ARG HB3 4.460 . 4.960 2.783 2.569 3.101 . 0 0 "[ . 1 . 2]" 1
567 1 39 TYR QE 1 76 ARG QD 4.360 . 4.860 2.542 2.305 3.208 . 0 0 "[ . 1 . 2]" 1
568 1 39 TYR QE 1 76 ARG QG 4.750 . 5.250 3.023 2.766 3.178 . 0 0 "[ . 1 . 2]" 1
569 1 39 TYR QE 1 77 ALA MB 4.740 . 5.240 2.555 2.377 2.888 . 0 0 "[ . 1 . 2]" 1
570 1 39 TYR QE 1 80 MET ME 6.000 . 6.500 4.279 4.105 4.455 . 0 0 "[ . 1 . 2]" 1
571 1 39 TYR HE1 1 73 ALA HA 5.000 . 5.500 4.800 4.565 5.015 . 0 0 "[ . 1 . 2]" 1
572 1 39 TYR HE2 1 73 ALA HA 5.000 . 5.500 3.979 3.836 4.184 . 0 0 "[ . 1 . 2]" 1
573 1 40 GLY H 1 42 ILE MD 5.740 . 6.240 4.500 4.348 4.781 . 0 0 "[ . 1 . 2]" 1
574 1 40 GLY QA 1 41 PRO QD 3.630 . 4.130 2.042 2.029 2.051 . 0 0 "[ . 1 . 2]" 1
575 1 41 PRO HA 1 42 ILE H 3.340 . 3.840 2.171 2.119 2.194 . 0 0 "[ . 1 . 2]" 1
576 1 41 PRO HA 1 42 ILE HB 4.810 . 5.310 4.343 4.252 4.400 . 0 0 "[ . 1 . 2]" 1
577 1 41 PRO HB2 1 42 ILE H 4.200 . 4.700 3.362 3.247 3.527 . 0 0 "[ . 1 . 2]" 1
578 1 41 PRO HB3 1 42 ILE H 4.200 . 4.700 3.910 3.856 3.962 . 0 0 "[ . 1 . 2]" 1
579 1 42 ILE H 1 42 ILE HB 3.710 . 4.210 2.600 2.474 2.674 . 0 0 "[ . 1 . 2]" 1
580 1 42 ILE H 1 42 ILE HG12 4.110 . 4.610 4.126 4.111 4.133 . 0 0 "[ . 1 . 2]" 1
581 1 42 ILE H 1 42 ILE HG13 4.110 . 4.610 3.091 3.010 3.152 . 0 0 "[ . 1 . 2]" 1
582 1 42 ILE HA 1 64 PHE HA 3.880 . 4.380 2.081 2.013 2.265 . 0 0 "[ . 1 . 2]" 1
583 1 42 ILE HA 1 65 GLU H 4.060 . 4.560 3.203 3.029 3.382 . 0 0 "[ . 1 . 2]" 1
584 1 42 ILE MD 1 45 VAL MG2 5.110 . 5.610 3.208 2.931 3.428 . 0 0 "[ . 1 . 2]" 1
585 1 42 ILE MD 1 64 PHE HA 6.340 . 6.840 4.379 4.170 5.027 . 0 0 "[ . 1 . 2]" 1
586 1 42 ILE MD 1 64 PHE QD 6.870 . 7.370 3.912 3.719 4.593 . 0 0 "[ . 1 . 2]" 1
587 1 42 ILE MD 1 64 PHE QE 5.530 . 6.030 3.033 2.919 3.648 . 0 0 "[ . 1 . 2]" 1
588 1 42 ILE MG 1 43 ALA H 4.560 . 5.060 2.781 2.672 2.870 . 0 0 "[ . 1 . 2]" 1
589 1 42 ILE MG 1 43 ALA HA 5.300 . 5.800 4.003 3.882 4.191 . 0 0 "[ . 1 . 2]" 1
590 1 42 ILE MG 1 44 ASP H 4.200 . 4.700 2.322 2.254 2.391 . 0 0 "[ . 1 . 2]" 1
591 1 42 ILE MG 1 44 ASP HA 4.970 . 5.470 3.515 3.015 3.749 . 0 0 "[ . 1 . 2]" 1
592 1 42 ILE MG 1 45 VAL HA 5.690 . 6.190 4.240 4.084 4.364 . 0 0 "[ . 1 . 2]" 1
593 1 42 ILE MG 1 45 VAL MG2 4.410 . 4.910 2.300 2.113 2.518 . 0 0 "[ . 1 . 2]" 1
594 1 42 ILE MG 1 62 VAL MG1 4.980 . 5.480 2.460 2.303 2.769 . 0 0 "[ . 1 . 2]" 1
595 1 42 ILE MG 1 63 TYR H 5.080 . 5.580 2.875 2.693 3.139 . 0 0 "[ . 1 . 2]" 1
596 1 42 ILE MG 1 64 PHE HA 4.880 . 5.380 3.540 3.309 3.937 . 0 0 "[ . 1 . 2]" 1
597 1 43 ALA H 1 44 ASP H 3.810 . 4.310 2.337 2.223 2.527 . 0 0 "[ . 1 . 2]" 1
598 1 43 ALA H 1 64 PHE HA 4.380 . 4.880 3.180 2.868 3.304 . 0 0 "[ . 1 . 2]" 1
599 1 43 ALA HA 1 65 GLU HG2 5.500 . 6.000 4.257 3.525 4.666 . 0 0 "[ . 1 . 2]" 1
600 1 43 ALA HA 1 65 GLU HG3 5.500 . 6.000 3.964 3.266 4.677 . 0 0 "[ . 1 . 2]" 1
601 1 43 ALA MB 1 44 ASP H 4.340 . 4.840 2.849 2.575 3.054 . 0 0 "[ . 1 . 2]" 1
602 1 43 ALA MB 1 44 ASP HB2 5.400 . 5.900 3.396 3.231 3.611 . 0 0 "[ . 1 . 2]" 1
603 1 43 ALA MB 1 44 ASP QB 5.320 . 5.820 3.246 3.130 3.414 . 0 0 "[ . 1 . 2]" 1
604 1 43 ALA MB 1 44 ASP HB3 5.400 . 5.900 4.149 3.854 4.323 . 0 0 "[ . 1 . 2]" 1
605 1 43 ALA MB 1 63 TYR HB2 4.720 . 5.220 3.330 2.426 3.860 . 0 0 "[ . 1 . 2]" 1
606 1 43 ALA MB 1 63 TYR HB3 4.720 . 5.220 3.201 2.572 3.619 . 0 0 "[ . 1 . 2]" 1
607 1 43 ALA MB 1 65 GLU HA 5.200 . 5.700 3.916 3.500 4.165 . 0 0 "[ . 1 . 2]" 1
608 1 43 ALA MB 1 65 GLU HG2 4.760 . 5.260 2.290 2.241 2.405 . 0 0 "[ . 1 . 2]" 1
609 1 43 ALA MB 1 65 GLU QG 4.580 . 5.080 2.189 2.145 2.305 . 0 0 "[ . 1 . 2]" 1
610 1 43 ALA MB 1 65 GLU HG3 4.760 . 5.260 2.807 2.635 3.408 . 0 0 "[ . 1 . 2]" 1
611 1 44 ASP H 1 62 VAL MG1 5.990 . 6.490 4.632 4.321 4.823 . 0 0 "[ . 1 . 2]" 1
612 1 44 ASP H 1 63 TYR H 4.380 . 4.880 3.347 3.204 3.462 . 0 0 "[ . 1 . 2]" 1
613 1 44 ASP H 1 63 TYR QB 4.420 . 4.920 2.477 2.284 2.636 . 0 0 "[ . 1 . 2]" 1
614 1 44 ASP H 1 64 PHE HA 4.810 . 5.310 4.848 4.825 4.894 . 0 0 "[ . 1 . 2]" 1
615 1 44 ASP HA 1 45 VAL H 3.090 . 3.590 2.394 2.312 2.521 . 0 0 "[ . 1 . 2]" 1
616 1 44 ASP HA 1 45 VAL HB 4.870 . 5.370 4.628 4.477 4.736 . 0 0 "[ . 1 . 2]" 1
617 1 44 ASP HA 1 45 VAL MG2 5.370 . 5.870 3.586 3.382 3.755 . 0 0 "[ . 1 . 2]" 1
618 1 44 ASP QB 1 45 VAL H 4.400 . 4.900 3.034 2.705 3.279 . 0 0 "[ . 1 . 2]" 1
619 1 44 ASP QB 1 63 TYR QD 4.790 . 5.290 2.787 2.189 3.166 . 0 0 "[ . 1 . 2]" 1
620 1 44 ASP HB2 1 45 VAL H 4.600 . 5.100 3.868 3.789 3.917 . 0 0 "[ . 1 . 2]" 1
621 1 44 ASP HB2 1 63 TYR QD 5.030 . 5.530 4.063 3.004 4.512 . 0 0 "[ . 1 . 2]" 1
622 1 44 ASP HB3 1 45 VAL H 4.600 . 5.100 3.182 2.770 3.563 . 0 0 "[ . 1 . 2]" 1
623 1 44 ASP HB3 1 63 TYR QD 5.030 . 5.530 2.842 2.247 3.255 . 0 0 "[ . 1 . 2]" 1
624 1 45 VAL H 1 45 VAL HA 100.000 2.500 100.500 2.933 2.887 2.977 . 0 0 "[ . 1 . 2]" 1
625 1 45 VAL H 1 45 VAL HB 3.690 . 4.190 3.038 2.909 3.128 . 0 0 "[ . 1 . 2]" 1
626 1 45 VAL HA 1 46 SER H 3.550 . 4.050 2.217 2.182 2.265 . 0 0 "[ . 1 . 2]" 1
627 1 45 VAL HA 1 62 VAL HA 4.050 . 4.550 2.416 2.321 2.486 . 0 0 "[ . 1 . 2]" 1
628 1 45 VAL HA 1 62 VAL MG2 5.150 . 5.650 3.528 3.138 3.662 . 0 0 "[ . 1 . 2]" 1
629 1 45 VAL HA 1 63 TYR H 4.420 . 4.920 3.298 3.136 3.530 . 0 0 "[ . 1 . 2]" 1
630 1 45 VAL HB 1 62 VAL MG2 6.550 . 7.050 4.628 4.476 4.863 . 0 0 "[ . 1 . 2]" 1
631 1 45 VAL MG1 1 46 SER H 4.550 . 5.050 2.496 2.401 2.660 . 0 0 "[ . 1 . 2]" 1
632 1 45 VAL MG1 1 62 VAL HA 5.610 . 6.110 3.124 2.945 3.520 . 0 0 "[ . 1 . 2]" 1
633 1 45 VAL MG1 1 62 VAL MG2 4.670 . 5.170 2.213 2.137 2.316 . 0 0 "[ . 1 . 2]" 1
634 1 45 VAL MG2 1 62 VAL HA 4.790 . 5.290 2.779 2.420 3.125 . 0 0 "[ . 1 . 2]" 1
635 1 45 VAL MG2 1 62 VAL MG1 4.490 . 4.990 2.302 2.175 2.535 . 0 0 "[ . 1 . 2]" 1
636 1 45 VAL MG2 1 63 TYR H 5.560 . 6.060 3.379 3.129 3.601 . 0 0 "[ . 1 . 2]" 1
637 1 46 SER H 1 46 SER HB2 4.050 . 4.550 2.910 2.567 3.215 . 0 0 "[ . 1 . 2]" 1
638 1 46 SER H 1 46 SER HB3 4.050 . 4.550 3.342 2.753 3.857 . 0 0 "[ . 1 . 2]" 1
639 1 46 SER H 1 61 PHE H 4.230 . 4.730 2.998 2.911 3.056 . 0 0 "[ . 1 . 2]" 1
640 1 46 SER H 1 62 VAL HA 4.940 . 5.440 3.656 3.510 3.881 . 0 0 "[ . 1 . 2]" 1
641 1 46 SER H 2 6 A H2 6.000 3.000 6.500 5.066 4.644 5.677 . 0 0 "[ . 1 . 2]" 1
642 1 46 SER HA 1 47 ILE H 3.560 . 4.060 2.161 2.106 2.226 . 0 0 "[ . 1 . 2]" 1
643 1 46 SER QB 1 47 ILE H 4.310 . 4.810 3.689 3.439 3.898 . 0 0 "[ . 1 . 2]" 1
644 1 46 SER QB 1 61 PHE H 4.120 . 4.620 3.469 3.218 3.677 . 0 0 "[ . 1 . 2]" 1
645 1 46 SER QB 1 61 PHE QB 4.760 . 5.260 2.866 2.505 3.233 . 0 0 "[ . 1 . 2]" 1
646 1 46 SER QB 1 61 PHE QD 5.340 . 5.840 4.014 3.589 4.257 . 0 0 "[ . 1 . 2]" 1
647 1 46 SER HB2 1 47 ILE H 4.390 . 4.890 4.411 4.378 4.438 . 0 0 "[ . 1 . 2]" 1
648 1 46 SER HB2 2 6 A H2 5.000 . 5.500 3.377 2.111 4.805 . 0 0 "[ . 1 . 2]" 1
649 1 46 SER HB3 1 47 ILE H 4.390 . 4.890 3.981 3.582 4.334 . 0 0 "[ . 1 . 2]" 1
650 1 46 SER HB3 2 6 A H2 3.500 . 4.000 3.111 2.348 3.535 . 0 0 "[ . 1 . 2]" 1
651 1 47 ILE H 1 47 ILE HB 3.610 . 4.110 2.431 2.371 2.516 . 0 0 "[ . 1 . 2]" 1
652 1 47 ILE H 1 47 ILE MD 4.950 . 5.450 3.821 3.680 4.028 . 0 0 "[ . 1 . 2]" 1
653 1 47 ILE H 1 47 ILE HG12 4.470 . 4.970 3.963 3.909 4.044 . 0 0 "[ . 1 . 2]" 1
654 1 47 ILE H 1 47 ILE QG 4.310 . 4.810 2.700 2.629 2.846 . 0 0 "[ . 1 . 2]" 1
655 1 47 ILE H 1 47 ILE HG13 4.470 . 4.970 2.748 2.671 2.908 . 0 0 "[ . 1 . 2]" 1
656 1 47 ILE H 1 49 TYR QE 4.510 . 5.010 3.454 3.254 3.679 . 0 0 "[ . 1 . 2]" 1
657 1 47 ILE HA 1 47 ILE HG12 4.100 . 4.600 2.511 2.418 2.613 . 0 0 "[ . 1 . 2]" 1
658 1 47 ILE HA 1 47 ILE HG13 4.100 . 4.600 2.851 2.812 2.920 . 0 0 "[ . 1 . 2]" 1
659 1 47 ILE HA 1 48 VAL H 3.560 . 4.060 2.269 2.210 2.307 . 0 0 "[ . 1 . 2]" 1
660 1 47 ILE HA 1 48 VAL QG 5.040 . 5.540 3.348 3.194 3.478 . 0 0 "[ . 1 . 2]" 1
661 1 47 ILE HA 1 60 ALA HA 3.820 . 4.320 2.318 2.233 2.455 . 0 0 "[ . 1 . 2]" 1
662 1 47 ILE HA 1 60 ALA MB 4.110 . 4.610 2.146 2.103 2.201 . 0 0 "[ . 1 . 2]" 1
663 1 47 ILE HA 1 61 PHE H 4.600 . 5.100 3.492 3.362 3.575 . 0 0 "[ . 1 . 2]" 1
664 1 47 ILE HB 1 49 TYR QD 5.660 . 6.160 4.307 4.139 4.465 . 0 0 "[ . 1 . 2]" 1
665 1 47 ILE HB 1 49 TYR QE 3.870 . 4.370 2.590 2.349 2.795 . 0 0 "[ . 1 . 2]" 1
666 1 47 ILE MD 1 49 TYR QE 5.780 . 6.280 3.893 3.705 4.067 . 0 0 "[ . 1 . 2]" 1
667 1 47 ILE QG 1 48 VAL H 5.780 . 6.280 3.919 3.810 4.008 . 0 0 "[ . 1 . 2]" 1
668 1 47 ILE QG 1 60 ALA MB 4.480 . 4.980 2.028 1.988 2.083 . 0 0 "[ . 1 . 2]" 1
669 1 47 ILE MG 1 48 VAL H 4.160 . 4.660 2.356 2.235 2.504 . 0 0 "[ . 1 . 2]" 1
670 1 47 ILE MG 1 49 TYR QD 5.580 . 6.080 3.503 3.348 3.681 . 0 0 "[ . 1 . 2]" 1
671 1 47 ILE MG 1 49 TYR QE 4.870 . 5.370 2.943 2.832 3.129 . 0 0 "[ . 1 . 2]" 1
672 1 47 ILE MG 1 56 SER HA 5.150 . 5.650 3.111 2.732 3.494 . 0 0 "[ . 1 . 2]" 1
673 1 47 ILE MG 1 56 SER HB2 4.070 . 4.570 2.682 2.429 3.080 . 0 0 "[ . 1 . 2]" 1
674 1 47 ILE MG 1 56 SER HB3 5.600 . 6.100 3.944 3.778 4.132 . 0 0 "[ . 1 . 2]" 1
675 1 47 ILE MG 1 56 SER HG 4.680 . 5.180 2.734 2.523 2.865 . 0 0 "[ . 1 . 2]" 1
676 1 47 ILE MG 1 60 ALA MB 4.540 . 5.040 2.836 2.699 2.968 . 0 0 "[ . 1 . 2]" 1
677 1 48 VAL H 1 48 VAL HB 3.780 . 4.280 2.627 2.578 2.663 . 0 0 "[ . 1 . 2]" 1
678 1 48 VAL H 1 59 PHE H 4.640 . 5.140 3.939 3.839 4.122 . 0 0 "[ . 1 . 2]" 1
679 1 48 VAL H 1 60 ALA HA 4.190 . 4.690 2.791 2.665 2.869 . 0 0 "[ . 1 . 2]" 1
680 1 48 VAL H 1 60 ALA MB 5.080 . 5.580 3.315 3.198 3.447 . 0 0 "[ . 1 . 2]" 1
681 1 48 VAL HA 1 49 TYR H 3.190 . 3.690 2.165 2.127 2.187 . 0 0 "[ . 1 . 2]" 1
682 1 48 VAL HA 1 49 TYR HB2 4.810 . 5.310 4.474 4.348 4.683 . 0 0 "[ . 1 . 2]" 1
683 1 48 VAL HA 1 49 TYR QD 4.790 . 5.290 3.525 3.089 4.118 . 0 0 "[ . 1 . 2]" 1
684 1 48 VAL HA 2 6 A H1' 6.000 3.000 6.500 4.428 3.725 5.067 . 0 0 "[ . 1 . 2]" 1
685 1 48 VAL HB 1 49 TYR H 4.530 . 5.030 4.157 4.042 4.411 . 0 0 "[ . 1 . 2]" 1
686 1 48 VAL HB 1 59 PHE H 4.020 . 4.520 3.762 3.550 3.984 . 0 0 "[ . 1 . 2]" 1
687 1 48 VAL HB 1 61 PHE QD 6.150 . 6.650 4.956 4.754 5.151 . 0 0 "[ . 1 . 2]" 1
688 1 48 VAL HB 1 61 PHE QE 6.170 . 6.670 4.504 4.325 4.683 . 0 0 "[ . 1 . 2]" 1
689 1 48 VAL QG 1 49 TYR H 4.460 . 4.960 2.655 2.459 3.149 . 0 0 "[ . 1 . 2]" 1
690 1 48 VAL QG 1 57 ARG HB2 5.090 . 5.590 3.090 2.781 3.249 . 0 0 "[ . 1 . 2]" 1
691 1 48 VAL QG 1 57 ARG QB 4.760 . 5.260 3.003 2.725 3.137 . 0 0 "[ . 1 . 2]" 1
692 1 48 VAL QG 1 57 ARG HB3 5.090 . 5.590 4.089 3.913 4.144 . 0 0 "[ . 1 . 2]" 1
693 1 48 VAL QG 1 57 ARG HD2 5.200 . 5.700 2.881 2.187 3.664 . 0 0 "[ . 1 . 2]" 1
694 1 48 VAL QG 1 57 ARG QD 4.660 . 5.160 2.186 2.096 2.264 . 0 0 "[ . 1 . 2]" 1
695 1 48 VAL QG 1 57 ARG HD3 5.200 . 5.700 2.809 2.109 3.680 . 0 0 "[ . 1 . 2]" 1
696 1 48 VAL QG 1 57 ARG HE 5.680 . 6.180 4.092 2.577 4.695 . 0 0 "[ . 1 . 2]" 1
697 1 48 VAL QG 1 57 ARG QG 5.190 . 5.690 3.402 2.782 3.685 . 0 0 "[ . 1 . 2]" 1
698 1 48 VAL QG 1 59 PHE QD 5.460 . 5.960 2.703 2.413 2.999 . 0 0 "[ . 1 . 2]" 1
699 1 48 VAL QG 1 59 PHE QE 5.380 . 5.800 2.333 2.102 2.665 . 0 0 "[ . 1 . 2]" 1
700 1 48 VAL QG 1 59 PHE HZ 4.740 . 5.240 2.807 2.469 3.165 . 0 0 "[ . 1 . 2]" 1
701 1 48 VAL QG 1 60 ALA HA 4.560 . 5.060 2.251 2.128 2.346 . 0 0 "[ . 1 . 2]" 1
702 1 48 VAL QG 1 61 PHE QD 5.380 . 5.880 2.370 2.275 2.488 . 0 0 "[ . 1 . 2]" 1
703 1 48 VAL QG 1 61 PHE QE 5.540 . 6.040 2.200 2.110 2.315 . 0 0 "[ . 1 . 2]" 1
704 1 48 VAL QG 2 6 A H1' 6.000 . 6.500 2.340 1.996 2.802 . 0 0 "[ . 1 . 2]" 1
705 1 48 VAL QG 2 6 A H2 7.210 3.000 7.710 4.203 3.972 4.369 . 0 0 "[ . 1 . 2]" 1
706 1 48 VAL QG 2 6 A H2' 7.210 3.000 7.710 4.276 4.042 4.581 . 0 0 "[ . 1 . 2]" 1
707 1 48 VAL QG 2 6 A H4' 7.210 3.000 7.710 2.492 2.396 2.817 0.604 14 15 "[** **** **-**+** *2]" 1
708 1 48 VAL QG 2 6 A H8 7.210 3.000 7.710 4.264 3.813 4.599 . 0 0 "[ . 1 . 2]" 1
709 1 49 TYR H 1 49 TYR HB2 3.720 . 4.220 2.572 2.505 2.621 . 0 0 "[ . 1 . 2]" 1
710 1 49 TYR H 1 49 TYR HB3 3.800 . 4.300 3.732 3.673 3.756 . 0 0 "[ . 1 . 2]" 1
711 1 49 TYR H 1 49 TYR QD 4.180 . 4.680 2.843 2.695 2.983 . 0 0 "[ . 1 . 2]" 1
712 1 49 TYR HA 1 49 TYR QD 4.140 . 4.640 2.924 2.736 3.107 . 0 0 "[ . 1 . 2]" 1
713 1 49 TYR HA 1 50 ASP H 3.530 . 4.030 2.235 2.180 2.272 . 0 0 "[ . 1 . 2]" 1
714 1 49 TYR HA 1 56 SER HA 3.650 . 4.150 2.440 2.303 2.553 . 0 0 "[ . 1 . 2]" 1
715 1 49 TYR HA 1 57 ARG H . 2.500 4.530 2.798 2.620 3.002 . 0 0 "[ . 1 . 2]" 1
716 1 49 TYR HA 1 57 ARG QG 5.110 . 5.610 2.887 2.446 3.229 . 0 0 "[ . 1 . 2]" 1
717 1 49 TYR HB2 1 50 ASP H 4.650 . 5.150 3.891 3.783 4.070 . 0 0 "[ . 1 . 2]" 1
718 1 49 TYR HB2 1 54 ARG HA 4.680 . 5.180 4.539 4.090 4.706 . 0 0 "[ . 1 . 2]" 1
719 1 49 TYR HB3 1 50 ASP H 3.710 . 4.210 2.740 2.596 2.980 . 0 0 "[ . 1 . 2]" 1
720 1 49 TYR HB3 1 54 ARG HA 4.170 . 4.670 3.225 2.750 3.427 . 0 0 "[ . 1 . 2]" 1
721 1 49 TYR HB3 1 55 ARG H 4.470 . 4.970 4.234 3.598 4.521 . 0 0 "[ . 1 . 2]" 1
722 1 49 TYR HB3 1 56 SER HA 5.050 . 5.550 4.113 3.913 4.412 . 0 0 "[ . 1 . 2]" 1
723 1 49 TYR QD 1 50 ASP H 4.680 . 5.180 3.766 3.611 3.883 . 0 0 "[ . 1 . 2]" 1
724 1 49 TYR QD 1 55 ARG HA 4.560 . 5.060 3.139 2.658 3.527 . 0 0 "[ . 1 . 2]" 1
725 1 49 TYR QD 1 56 SER H 4.760 . 5.260 3.213 3.044 3.409 . 0 0 "[ . 1 . 2]" 1
726 1 49 TYR QD 1 56 SER HA 3.960 . 4.460 2.820 2.653 2.978 . 0 0 "[ . 1 . 2]" 1
727 1 49 TYR QD 1 56 SER HB2 5.130 . 5.630 3.779 3.541 4.089 . 0 0 "[ . 1 . 2]" 1
728 1 49 TYR QE 1 55 ARG HA 4.910 . 5.410 4.132 3.723 4.395 . 0 0 "[ . 1 . 2]" 1
729 1 49 TYR QE 1 56 SER H 4.600 . 5.100 3.546 3.241 3.757 . 0 0 "[ . 1 . 2]" 1
730 1 49 TYR QE 1 56 SER HA 4.130 . 4.630 3.696 3.592 3.715 . 0 0 "[ . 1 . 2]" 1
731 1 49 TYR QE 1 56 SER HB2 4.090 . 4.590 3.020 2.625 3.314 . 0 0 "[ . 1 . 2]" 1
732 1 50 ASP H 1 50 ASP HB2 3.850 . 4.350 2.493 2.394 2.583 . 0 0 "[ . 1 . 2]" 1
733 1 50 ASP H 1 50 ASP HB3 3.850 . 4.350 2.513 2.429 2.573 . 0 0 "[ . 1 . 2]" 1
734 1 50 ASP H 1 55 ARG H 4.280 . 4.780 3.262 2.783 3.655 . 0 0 "[ . 1 . 2]" 1
735 1 50 ASP H 1 56 SER HA 4.400 . 4.900 3.902 3.766 4.023 . 0 0 "[ . 1 . 2]" 1
736 1 50 ASP H 1 57 ARG QG 4.660 . 5.160 2.832 2.727 2.987 . 0 0 "[ . 1 . 2]" 1
737 1 50 ASP HA 1 51 GLN H 3.200 . 3.700 2.285 2.229 2.407 . 0 0 "[ . 1 . 2]" 1
738 1 50 ASP HA 1 51 GLN HB2 4.420 . 4.920 4.316 4.257 4.381 . 0 0 "[ . 1 . 2]" 1
739 1 50 ASP HA 1 52 GLN H 4.930 . 5.430 4.172 4.085 4.361 . 0 0 "[ . 1 . 2]" 1
740 1 50 ASP HA 1 57 ARG HD2 4.350 . 4.850 3.332 2.605 4.403 . 0 0 "[ . 1 . 2]" 1
741 1 50 ASP HA 1 57 ARG QD 4.220 . 4.720 3.090 2.578 3.524 . 0 0 "[ . 1 . 2]" 1
742 1 50 ASP HA 1 57 ARG HD3 4.350 . 4.850 4.139 3.620 4.406 . 0 0 "[ . 1 . 2]" 1
743 1 50 ASP HA 1 57 ARG QG 4.470 . 4.970 3.102 2.630 3.615 . 0 0 "[ . 1 . 2]" 1
744 1 50 ASP QB 1 51 GLN H 4.150 . 4.650 3.601 3.386 3.688 . 0 0 "[ . 1 . 2]" 1
745 1 50 ASP QB 1 52 GLN H 4.990 . 5.490 3.574 3.385 3.769 . 0 0 "[ . 1 . 2]" 1
746 1 50 ASP QB 1 53 SER H 4.760 . 5.260 2.988 2.855 3.180 . 0 0 "[ . 1 . 2]" 1
747 1 50 ASP QB 1 53 SER QB 4.980 . 5.480 2.857 2.309 3.985 . 0 0 "[ . 1 . 2]" 1
748 1 50 ASP QB 1 54 ARG H 4.620 . 5.120 2.587 2.287 2.873 . 0 0 "[ . 1 . 2]" 1
749 1 50 ASP QB 1 54 ARG HA 4.200 . 4.700 3.553 2.941 3.768 . 0 0 "[ . 1 . 2]" 1
750 1 50 ASP QB 1 55 ARG H 4.090 . 4.590 2.573 2.344 2.793 . 0 0 "[ . 1 . 2]" 1
751 1 50 ASP QB 1 57 ARG QD 6.340 . 6.840 3.842 3.337 4.307 . 0 0 "[ . 1 . 2]" 1
752 1 50 ASP QB 1 57 ARG QG 5.480 . 5.980 2.648 2.402 2.956 . 0 0 "[ . 1 . 2]" 1
753 1 50 ASP QB 2 2 A H2 112.250 5.000 112.750 17.197 12.323 22.099 . 0 0 "[ . 1 . 2]" 1
754 1 50 ASP HB2 1 52 GLN H 5.130 . 5.630 4.713 4.572 4.797 . 0 0 "[ . 1 . 2]" 1
755 1 50 ASP HB3 1 52 GLN H 5.130 . 5.630 3.703 3.488 3.952 . 0 0 "[ . 1 . 2]" 1
756 1 51 GLN H 1 51 GLN HB2 3.480 . 3.980 2.467 2.392 2.592 . 0 0 "[ . 1 . 2]" 1
757 1 51 GLN H 1 51 GLN HB3 3.470 . 3.970 2.449 2.390 2.493 . 0 0 "[ . 1 . 2]" 1
758 1 51 GLN H 1 51 GLN QG 4.800 . 5.300 3.996 3.970 4.025 . 0 0 "[ . 1 . 2]" 1
759 1 51 GLN H 1 52 GLN H 3.650 . 4.150 2.679 2.484 2.783 . 0 0 "[ . 1 . 2]" 1
760 1 51 GLN H 1 57 ARG QD 5.990 . 6.490 4.798 4.236 5.337 . 0 0 "[ . 1 . 2]" 1
761 1 51 GLN HA 1 51 GLN QG 3.750 . 4.250 2.616 2.396 3.101 . 0 0 "[ . 1 . 2]" 1
762 1 51 GLN HA 1 54 ARG H 4.650 . 5.150 4.517 4.292 4.673 . 0 0 "[ . 1 . 2]" 1
763 1 51 GLN HA 1 54 ARG QD 5.940 . 6.440 5.144 4.606 5.315 . 0 0 "[ . 1 . 2]" 1
764 1 51 GLN HB3 1 52 GLN H 3.170 . 3.670 3.169 3.038 3.197 . 0 0 "[ . 1 . 2]" 1
765 1 52 GLN H 1 52 GLN QB 3.480 . 3.980 2.559 2.468 2.616 . 0 0 "[ . 1 . 2]" 1
766 1 52 GLN H 1 52 GLN HG2 3.650 . 4.150 3.679 3.664 3.686 . 0 0 "[ . 1 . 2]" 1
767 1 52 GLN H 1 52 GLN HG3 3.650 . 4.150 2.766 2.670 2.824 . 0 0 "[ . 1 . 2]" 1
768 1 52 GLN H 1 54 ARG HA 5.440 . 5.940 4.923 4.646 5.361 . 0 0 "[ . 1 . 2]" 1
769 1 52 GLN H 1 54 ARG HG2 5.500 . 6.000 4.624 4.058 5.481 . 0 0 "[ . 1 . 2]" 1
770 1 52 GLN H 1 54 ARG HG3 5.500 . 6.000 4.623 4.070 5.502 . 0 0 "[ . 1 . 2]" 1
771 1 52 GLN HA 1 52 GLN HG2 3.430 . 3.930 2.491 2.476 2.501 . 0 0 "[ . 1 . 2]" 1
772 1 52 GLN HA 1 52 GLN QG 3.360 . 3.860 2.419 2.403 2.431 . 0 0 "[ . 1 . 2]" 1
773 1 52 GLN HA 1 52 GLN HG3 3.430 . 3.930 3.283 3.227 3.318 . 0 0 "[ . 1 . 2]" 1
774 1 52 GLN QB 1 53 SER H 3.670 . 4.170 2.655 2.513 2.816 . 0 0 "[ . 1 . 2]" 1
775 1 52 GLN QB 1 53 SER HA 4.710 . 5.210 4.158 4.019 4.205 . 0 0 "[ . 1 . 2]" 1
776 1 53 SER H 1 53 SER HB2 3.740 . 4.240 2.837 2.456 3.731 . 0 0 "[ . 1 . 2]" 1
777 1 53 SER H 1 53 SER HB3 3.740 . 4.240 3.382 2.705 3.663 . 0 0 "[ . 1 . 2]" 1
778 1 53 SER H 1 54 ARG H 3.530 . 4.030 2.418 2.211 2.558 . 0 0 "[ . 1 . 2]" 1
779 1 53 SER H 1 54 ARG HA 5.500 . 6.000 4.644 4.410 4.803 . 0 0 "[ . 1 . 2]" 1
780 1 53 SER H 1 54 ARG HG2 5.500 . 6.000 4.826 4.443 5.067 . 0 0 "[ . 1 . 2]" 1
781 1 53 SER H 1 54 ARG HG3 5.500 . 6.000 4.259 3.935 4.620 . 0 0 "[ . 1 . 2]" 1
782 1 53 SER H 1 55 ARG H 4.590 . 5.090 4.372 3.975 4.591 . 0 0 "[ . 1 . 2]" 1
783 1 53 SER QB 1 55 ARG H 4.280 . 4.780 3.207 2.780 3.587 . 0 0 "[ . 1 . 2]" 1
784 1 53 SER QB 1 55 ARG QB 5.010 . 5.510 3.423 2.617 3.981 . 0 0 "[ . 1 . 2]" 1
785 1 53 SER QB 1 55 ARG QD 6.490 . 6.990 3.347 2.311 5.169 . 0 0 "[ . 1 . 2]" 1
786 1 53 SER QB 1 55 ARG QG 4.640 . 5.140 3.033 2.330 3.707 . 0 0 "[ . 1 . 2]" 1
787 1 53 SER HB2 1 55 ARG H 4.600 . 5.100 3.390 2.949 3.739 . 0 0 "[ . 1 . 2]" 1
788 1 53 SER HB3 1 55 ARG H 4.600 . 5.100 3.984 3.402 4.644 . 0 0 "[ . 1 . 2]" 1
789 1 54 ARG H 1 54 ARG HG2 4.590 . 5.090 2.880 2.757 3.050 . 0 0 "[ . 1 . 2]" 1
790 1 54 ARG H 1 54 ARG QG 4.340 . 4.840 2.508 2.378 2.696 . 0 0 "[ . 1 . 2]" 1
791 1 54 ARG H 1 54 ARG HG3 4.590 . 5.090 2.762 2.590 3.003 . 0 0 "[ . 1 . 2]" 1
792 1 54 ARG H 1 55 ARG H 3.770 . 4.270 2.855 2.765 2.931 . 0 0 "[ . 1 . 2]" 1
793 1 54 ARG HA 1 54 ARG QD 4.140 . 4.640 3.741 3.726 3.760 . 0 0 "[ . 1 . 2]" 1
794 1 54 ARG HA 1 54 ARG HG2 3.840 . 4.340 2.291 2.233 2.337 . 0 0 "[ . 1 . 2]" 1
795 1 54 ARG HA 1 54 ARG QG 3.720 . 4.220 2.241 2.188 2.288 . 0 0 "[ . 1 . 2]" 1
796 1 54 ARG HA 1 54 ARG HG3 3.840 . 4.340 3.180 3.120 3.257 . 0 0 "[ . 1 . 2]" 1
797 1 54 ARG HB2 1 54 ARG HD2 4.010 . 4.510 3.037 2.678 3.313 . 0 0 "[ . 1 . 2]" 1
798 1 54 ARG HB2 1 54 ARG HD3 4.010 . 4.510 3.633 3.305 3.900 . 0 0 "[ . 1 . 2]" 1
799 1 54 ARG HB3 1 54 ARG HD2 4.010 . 4.510 2.649 2.352 3.004 . 0 0 "[ . 1 . 2]" 1
800 1 54 ARG HB3 1 54 ARG HD3 4.010 . 4.510 3.120 2.436 3.693 . 0 0 "[ . 1 . 2]" 1
801 1 55 ARG H 1 55 ARG HB2 3.740 . 4.240 2.892 1.986 3.824 . 0 0 "[ . 1 . 2]" 1
802 1 55 ARG H 1 55 ARG QB 3.460 . 3.960 2.560 1.964 3.044 . 0 0 "[ . 1 . 2]" 1
803 1 55 ARG H 1 55 ARG HB3 3.740 . 4.240 3.391 2.784 3.758 . 0 0 "[ . 1 . 2]" 1
804 1 55 ARG H 1 55 ARG QD 5.120 . 5.620 4.147 3.766 4.590 . 0 0 "[ . 1 . 2]" 1
805 1 55 ARG H 1 55 ARG QG 3.850 . 4.350 2.717 1.975 3.451 . 0 0 "[ . 1 . 2]" 1
806 1 55 ARG HA 1 55 ARG QD 4.640 . 5.140 3.921 2.150 4.254 . 0 0 "[ . 1 . 2]" 1
807 1 55 ARG HA 1 56 SER H 3.130 . 3.630 2.355 2.213 2.414 . 0 0 "[ . 1 . 2]" 1
808 1 55 ARG HA 1 56 SER HB3 4.740 . 5.240 4.764 4.690 4.798 . 0 0 "[ . 1 . 2]" 1
809 1 55 ARG QB 1 56 SER H 4.070 . 4.570 2.562 2.303 3.202 . 0 0 "[ . 1 . 2]" 1
810 1 55 ARG QB 2 2 A H2 112.250 5.000 112.750 17.168 11.100 22.552 . 0 0 "[ . 1 . 2]" 1
811 1 55 ARG HB2 1 56 SER H 4.180 . 4.680 3.385 2.370 4.281 . 0 0 "[ . 1 . 2]" 1
812 1 55 ARG HB3 1 56 SER H 4.180 . 4.680 3.078 2.327 3.900 . 0 0 "[ . 1 . 2]" 1
813 1 55 ARG QD 2 2 A H2 112.250 5.000 112.750 17.084 10.626 23.309 . 0 0 "[ . 1 . 2]" 1
814 1 55 ARG QG 1 56 SER H 4.430 . 4.930 3.743 3.571 4.035 . 0 0 "[ . 1 . 2]" 1
815 1 55 ARG QG 2 2 A H2 112.250 5.000 112.750 18.021 12.376 24.580 . 0 0 "[ . 1 . 2]" 1
816 1 56 SER H 1 56 SER HB2 3.270 . 3.770 2.675 2.587 2.777 . 0 0 "[ . 1 . 2]" 1
817 1 56 SER H 1 56 SER HB3 3.440 . 3.940 2.413 2.364 2.489 . 0 0 "[ . 1 . 2]" 1
818 1 56 SER H 1 56 SER HG 4.630 . 5.130 4.476 4.436 4.553 . 0 0 "[ . 1 . 2]" 1
819 1 56 SER HG 1 58 GLY H 4.130 . 4.630 2.772 2.694 3.180 . 0 0 "[ . 1 . 2]" 1
820 1 57 ARG H 1 57 ARG QG 4.640 . 5.140 2.640 2.375 2.836 . 0 0 "[ . 1 . 2]" 1
821 1 57 ARG HA 1 57 ARG HD2 4.680 . 5.180 4.656 4.580 4.704 . 0 0 "[ . 1 . 2]" 1
822 1 57 ARG HA 1 57 ARG QD 4.590 . 5.090 4.038 3.881 4.131 . 0 0 "[ . 1 . 2]" 1
823 1 57 ARG HA 1 57 ARG HD3 4.680 . 5.180 4.434 4.191 4.603 . 0 0 "[ . 1 . 2]" 1
824 1 57 ARG HA 1 57 ARG QG 3.720 . 4.220 2.310 2.231 2.443 . 0 0 "[ . 1 . 2]" 1
825 1 57 ARG HA 2 2 A H2 100.000 5.000 100.500 15.305 9.937 20.733 . 0 0 "[ . 1 . 2]" 1
826 1 57 ARG QB 1 58 GLY HA3 5.130 . 5.630 4.564 4.448 4.606 . 0 0 "[ . 1 . 2]" 1
827 1 57 ARG QB 1 59 PHE QD 5.960 . 6.460 2.921 2.450 3.392 . 0 0 "[ . 1 . 2]" 1
828 1 57 ARG QB 1 59 PHE QE 4.990 . 5.490 2.299 2.137 2.526 . 0 0 "[ . 1 . 2]" 1
829 1 57 ARG QB 2 2 A H2 112.250 5.000 112.750 13.637 8.588 18.230 . 0 0 "[ . 1 . 2]" 1
830 1 57 ARG HB2 1 59 PHE H 4.430 . 4.930 3.459 3.200 3.693 . 0 0 "[ . 1 . 2]" 1
831 1 57 ARG HB2 1 59 PHE QE 5.370 . 5.870 3.085 2.563 3.621 . 0 0 "[ . 1 . 2]" 1
832 1 57 ARG HB3 1 59 PHE H 4.430 . 4.930 4.340 4.195 4.438 . 0 0 "[ . 1 . 2]" 1
833 1 57 ARG HB3 1 59 PHE QE 5.370 . 5.870 2.385 2.198 2.578 . 0 0 "[ . 1 . 2]" 1
834 1 57 ARG QD 1 59 PHE QE 5.390 . 5.890 3.205 2.552 3.672 . 0 0 "[ . 1 . 2]" 1
835 1 57 ARG QD 2 2 A H2 112.250 5.000 112.750 15.344 10.481 20.224 . 0 0 "[ . 1 . 2]" 1
836 1 57 ARG HD2 1 59 PHE QE 5.540 . 6.040 4.173 2.826 4.761 . 0 0 "[ . 1 . 2]" 1
837 1 57 ARG HD3 1 59 PHE QE 5.540 . 6.040 3.419 2.579 3.827 . 0 0 "[ . 1 . 2]" 1
838 1 57 ARG QG 2 2 A H2 112.250 5.000 112.750 15.016 9.672 19.920 . 0 0 "[ . 1 . 2]" 1
839 1 58 GLY H 1 59 PHE H 3.470 . 3.970 2.444 2.317 2.503 . 0 0 "[ . 1 . 2]" 1
840 1 59 PHE H 1 59 PHE QD 4.460 . 4.960 3.011 2.551 3.346 . 0 0 "[ . 1 . 2]" 1
841 1 59 PHE HB2 1 60 ALA H 4.710 . 5.210 2.295 2.216 2.355 . 0 0 "[ . 1 . 2]" 1
842 1 59 PHE HB3 1 60 ALA H 4.710 . 5.210 3.659 3.602 3.727 . 0 0 "[ . 1 . 2]" 1
843 1 59 PHE QD 1 60 ALA H 5.160 . 5.660 3.325 3.084 3.476 . 0 0 "[ . 1 . 2]" 1
844 1 59 PHE QD 2 4 G H1' 6.730 3.000 7.230 5.557 4.725 6.028 . 0 0 "[ . 1 . 2]" 1
845 1 59 PHE QD 2 4 G H4' 6.730 3.000 7.230 3.365 2.667 4.520 0.333 3 0 "[ . 1 . 2]" 1
846 1 59 PHE QD 2 4 G H8 6.730 3.000 7.230 5.958 5.714 6.042 . 0 0 "[ . 1 . 2]" 1
847 1 59 PHE QD 2 6 A H1' 6.730 3.000 7.230 5.692 4.808 6.012 . 0 0 "[ . 1 . 2]" 1
848 1 59 PHE QD 2 6 A H8 6.730 3.000 7.230 6.001 5.825 6.032 . 0 0 "[ . 1 . 2]" 1
849 1 59 PHE QE 1 61 PHE QE 5.280 . 5.780 2.445 2.140 2.909 . 0 0 "[ . 1 . 2]" 1
850 1 59 PHE QE 2 4 G H4' 6.730 3.000 7.230 3.263 2.772 3.882 0.228 5 0 "[ . 1 . 2]" 1
851 1 59 PHE QE 2 4 G H8 112.250 5.000 112.750 6.976 6.553 7.284 . 0 0 "[ . 1 . 2]" 1
852 1 59 PHE QE 2 6 A H1' 6.730 3.000 7.230 4.420 3.798 4.770 . 0 0 "[ . 1 . 2]" 1
853 1 59 PHE QE 2 6 A H4' 6.730 3.000 7.230 4.125 3.158 4.860 . 0 0 "[ . 1 . 2]" 1
854 1 59 PHE QE 2 6 A H8 6.730 3.000 7.230 4.291 3.983 4.738 . 0 0 "[ . 1 . 2]" 1
855 1 59 PHE HZ 2 6 A H1' 6.000 3.000 6.500 5.723 5.244 6.017 . 0 0 "[ . 1 . 2]" 1
856 1 59 PHE HZ 2 6 A H4' 6.000 3.000 6.500 3.870 3.048 4.449 . 0 0 "[ . 1 . 2]" 1
857 1 60 ALA MB 1 61 PHE H 4.230 . 4.730 2.295 2.223 2.387 . 0 0 "[ . 1 . 2]" 1
858 1 60 ALA MB 1 62 VAL MG2 5.600 . 6.100 3.675 3.503 3.888 . 0 0 "[ . 1 . 2]" 1
859 1 61 PHE H 1 61 PHE QD 4.620 . 5.120 3.134 3.027 3.241 . 0 0 "[ . 1 . 2]" 1
860 1 61 PHE HA 2 6 A H2 6.000 3.000 6.500 5.589 5.430 5.751 . 0 0 "[ . 1 . 2]" 1
861 1 61 PHE QB 1 63 TYR QE 4.900 . 5.400 2.686 2.367 3.826 . 0 0 "[ . 1 . 2]" 1
862 1 61 PHE HB2 1 63 TYR QE 5.010 . 5.510 3.121 2.690 4.472 . 0 0 "[ . 1 . 2]" 1
863 1 61 PHE HB2 2 6 A H2 5.000 . 5.500 2.596 2.427 2.762 . 0 0 "[ . 1 . 2]" 1
864 1 61 PHE HB3 1 63 TYR QE 5.010 . 5.510 2.980 2.436 4.157 . 0 0 "[ . 1 . 2]" 1
865 1 61 PHE HB3 2 6 A H2 5.000 . 5.500 3.665 3.436 3.873 . 0 0 "[ . 1 . 2]" 1
866 1 61 PHE QD 2 6 A H2 5.610 . 6.110 3.516 3.236 3.689 . 0 0 "[ . 1 . 2]" 1
867 1 61 PHE QE 2 5 A H1' 5.610 . 6.110 4.291 3.918 4.446 . 0 0 "[ . 1 . 2]" 1
868 1 61 PHE QE 2 5 A H8 5.610 . 6.110 3.302 2.941 3.620 . 0 0 "[ . 1 . 2]" 1
869 1 61 PHE QE 2 6 A H1' 5.610 . 6.110 3.914 3.248 4.406 . 0 0 "[ . 1 . 2]" 1
870 1 61 PHE QE 2 6 A H8 5.610 . 6.110 4.008 3.863 4.153 . 0 0 "[ . 1 . 2]" 1
871 1 61 PHE HZ 2 5 A H1' 6.000 3.000 6.500 3.668 3.091 3.893 . 0 0 "[ . 1 . 2]" 1
872 1 61 PHE HZ 2 5 A H8 5.000 . 5.500 3.766 3.121 4.172 . 0 0 "[ . 1 . 2]" 1
873 1 61 PHE HZ 2 6 A H8 6.000 3.000 6.500 4.112 3.837 4.515 . 0 0 "[ . 1 . 2]" 1
874 1 62 VAL H 1 62 VAL HB 4.050 . 4.550 2.717 2.646 2.781 . 0 0 "[ . 1 . 2]" 1
875 1 62 VAL H 1 62 VAL MG2 4.480 . 4.980 2.968 2.899 3.041 . 0 0 "[ . 1 . 2]" 1
876 1 62 VAL H 2 6 A H2 6.000 3.000 6.500 6.050 6.018 6.079 . 0 0 "[ . 1 . 2]" 1
877 1 62 VAL HA 1 63 TYR QD 5.600 . 6.100 3.400 2.858 4.219 . 0 0 "[ . 1 . 2]" 1
878 1 62 VAL MG1 1 63 TYR H 4.650 . 5.150 2.741 2.548 2.939 . 0 0 "[ . 1 . 2]" 1
879 1 62 VAL MG1 1 64 PHE QD 5.960 . 6.460 2.870 2.650 3.147 . 0 0 "[ . 1 . 2]" 1
880 1 62 VAL MG1 1 64 PHE QE 5.370 . 5.870 2.445 2.362 2.634 . 0 0 "[ . 1 . 2]" 1
881 1 63 TYR H 1 63 TYR QD 4.440 . 4.940 2.868 2.556 3.306 . 0 0 "[ . 1 . 2]" 1
882 1 63 TYR QD 2 6 A H2 5.610 . 6.110 5.054 5.013 5.119 . 0 0 "[ . 1 . 2]" 1
883 1 63 TYR QE 2 6 A H2 5.610 . 6.110 2.904 2.670 3.568 . 0 0 "[ . 1 . 2]" 1
884 1 64 PHE H 1 64 PHE HA 100.000 2.500 100.500 2.933 2.910 2.992 . 0 0 "[ . 1 . 2]" 1
885 1 64 PHE H 1 64 PHE QD 5.100 . 5.600 2.448 2.346 2.795 . 0 0 "[ . 1 . 2]" 1
886 1 64 PHE QB 1 70 ALA MB 4.740 . 5.240 2.267 2.197 2.403 . 0 0 "[ . 1 . 2]" 1
887 1 64 PHE QD 1 69 ASP QB 5.510 . 6.010 2.527 2.374 2.690 . 0 0 "[ . 1 . 2]" 1
888 1 64 PHE QD 1 70 ALA HA 5.010 . 5.510 3.522 3.380 3.747 . 0 0 "[ . 1 . 2]" 1
889 1 64 PHE QD 1 70 ALA MB 5.000 . 5.500 2.879 2.617 3.064 . 0 0 "[ . 1 . 2]" 1
890 1 64 PHE HD1 1 70 ALA HA 5.000 . 5.500 3.663 3.448 4.121 . 0 0 "[ . 1 . 2]" 1
891 1 64 PHE HD2 1 70 ALA HA 5.000 . 5.500 4.616 4.306 4.908 . 0 0 "[ . 1 . 2]" 1
892 1 64 PHE QE 1 73 ALA MB 5.010 . 5.510 2.828 2.759 2.945 . 0 0 "[ . 1 . 2]" 1
893 1 64 PHE HE1 1 70 ALA HA 5.000 . 5.500 3.672 3.355 3.923 . 0 0 "[ . 1 . 2]" 1
894 1 64 PHE HE2 1 70 ALA HA 5.000 . 5.500 4.607 3.986 4.866 . 0 0 "[ . 1 . 2]" 1
895 1 64 PHE HZ 1 73 ALA MB 5.150 . 5.650 2.287 2.203 2.364 . 0 0 "[ . 1 . 2]" 1
896 1 65 GLU H 1 65 GLU HG2 4.990 . 5.490 3.541 2.743 3.675 . 0 0 "[ . 1 . 2]" 1
897 1 65 GLU H 1 65 GLU QG 4.870 . 5.370 2.611 2.520 2.774 . 0 0 "[ . 1 . 2]" 1
898 1 65 GLU H 1 65 GLU HG3 4.990 . 5.490 2.772 2.581 3.786 . 0 0 "[ . 1 . 2]" 1
899 1 65 GLU H 1 66 ASN H 4.630 . 5.130 2.606 2.546 2.726 . 0 0 "[ . 1 . 2]" 1
900 1 66 ASN HA 1 67 VAL MG1 5.450 . 5.950 4.103 3.946 4.277 . 0 0 "[ . 1 . 2]" 1
901 1 66 ASN QB 1 67 VAL H 4.960 . 5.460 3.619 2.607 3.789 . 0 0 "[ . 1 . 2]" 1
902 1 67 VAL H 1 67 VAL HB 3.760 . 4.260 2.529 2.465 2.586 . 0 0 "[ . 1 . 2]" 1
903 1 67 VAL H 1 67 VAL MG1 4.380 . 4.880 2.254 2.141 2.397 . 0 0 "[ . 1 . 2]" 1
904 1 67 VAL H 1 68 ASP H 4.470 . 4.970 2.753 2.674 2.861 . 0 0 "[ . 1 . 2]" 1
905 1 67 VAL HA 1 70 ALA H 4.680 . 5.180 3.370 3.259 3.569 . 0 0 "[ . 1 . 2]" 1
906 1 67 VAL HA 1 70 ALA MB 4.580 . 5.080 2.489 2.357 2.704 . 0 0 "[ . 1 . 2]" 1
907 1 67 VAL MG1 1 68 ASP H 4.360 . 4.860 2.495 2.398 2.668 . 0 0 "[ . 1 . 2]" 1
908 1 67 VAL MG1 1 68 ASP HA 4.940 . 5.440 3.357 3.207 3.476 . 0 0 "[ . 1 . 2]" 1
909 1 67 VAL MG1 1 71 LYS QD 5.370 . 5.870 2.978 2.609 4.012 . 0 0 "[ . 1 . 2]" 1
910 1 67 VAL MG1 1 71 LYS QE 5.920 . 6.420 4.117 2.138 4.415 . 0 0 "[ . 1 . 2]" 1
911 1 67 VAL MG2 1 68 ASP H 5.200 . 5.700 3.976 3.867 4.127 . 0 0 "[ . 1 . 2]" 1
912 1 67 VAL MG2 1 71 LYS QD 5.080 . 5.580 2.462 2.195 3.628 . 0 0 "[ . 1 . 2]" 1
913 1 67 VAL MG2 1 71 LYS QE 5.540 . 6.040 3.917 2.251 4.140 . 0 0 "[ . 1 . 2]" 1
914 1 67 VAL MG2 1 71 LYS QG 5.810 . 6.310 2.730 2.509 4.333 . 0 0 "[ . 1 . 2]" 1
915 1 68 ASP H 1 68 ASP HA 100.000 2.500 100.500 2.891 2.865 2.913 . 0 0 "[ . 1 . 2]" 1
916 1 68 ASP H 1 68 ASP HB2 3.750 . 4.250 2.405 2.302 2.484 . 0 0 "[ . 1 . 2]" 1
917 1 68 ASP H 1 68 ASP HB3 3.750 . 4.250 2.826 2.489 3.626 . 0 0 "[ . 1 . 2]" 1
918 1 68 ASP H 1 69 ASP H 4.070 . 4.570 2.608 2.545 2.675 . 0 0 "[ . 1 . 2]" 1
919 1 68 ASP HA 1 71 LYS H 4.550 . 5.050 3.165 3.006 3.291 . 0 0 "[ . 1 . 2]" 1
920 1 68 ASP HA 1 71 LYS HB2 3.800 . 4.300 2.338 2.242 3.076 . 0 0 "[ . 1 . 2]" 1
921 1 68 ASP HA 1 71 LYS HB3 4.440 . 4.940 3.830 2.223 4.013 . 0 0 "[ . 1 . 2]" 1
922 1 68 ASP HA 1 71 LYS QD 4.060 . 4.560 2.383 2.090 3.726 . 0 0 "[ . 1 . 2]" 1
923 1 68 ASP HA 1 71 LYS QE 5.160 . 5.660 3.427 1.805 4.076 . 0 0 "[ . 1 . 2]" 1
924 1 68 ASP QB 1 69 ASP H 4.270 . 4.770 2.974 2.798 3.159 . 0 0 "[ . 1 . 2]" 1
925 1 68 ASP HB2 1 69 ASP H 4.470 . 4.970 3.875 3.013 4.100 . 0 0 "[ . 1 . 2]" 1
926 1 68 ASP HB3 1 69 ASP H 4.470 . 4.970 3.192 2.869 3.897 . 0 0 "[ . 1 . 2]" 1
927 1 69 ASP H 1 70 ALA H 3.860 . 4.360 2.424 2.328 2.509 . 0 0 "[ . 1 . 2]" 1
928 1 69 ASP HA 1 72 GLU H 3.900 . 4.400 3.192 3.081 3.327 . 0 0 "[ . 1 . 2]" 1
929 1 69 ASP HA 1 72 GLU HB2 3.820 . 4.320 3.070 2.907 3.380 . 0 0 "[ . 1 . 2]" 1
930 1 69 ASP HA 1 72 GLU QB 3.420 . 3.920 2.484 2.327 2.637 . 0 0 "[ . 1 . 2]" 1
931 1 69 ASP HA 1 72 GLU HB3 3.820 . 4.320 2.627 2.449 2.785 . 0 0 "[ . 1 . 2]" 1
932 1 69 ASP HA 1 72 GLU HG2 4.420 . 4.920 4.134 3.931 4.336 . 0 0 "[ . 1 . 2]" 1
933 1 69 ASP HA 1 72 GLU HG3 5.270 . 5.770 5.029 4.851 5.202 . 0 0 "[ . 1 . 2]" 1
934 1 69 ASP HA 1 73 ALA H 4.730 . 5.230 3.917 3.775 4.017 . 0 0 "[ . 1 . 2]" 1
935 1 69 ASP QB 1 70 ALA H 4.200 . 4.700 2.856 2.704 2.990 . 0 0 "[ . 1 . 2]" 1
936 1 69 ASP HB2 1 70 ALA H 4.370 . 4.870 2.945 2.781 3.099 . 0 0 "[ . 1 . 2]" 1
937 1 69 ASP HB3 1 70 ALA H 4.370 . 4.870 3.850 3.692 3.934 . 0 0 "[ . 1 . 2]" 1
938 1 70 ALA H 1 71 LYS H 4.200 . 4.700 2.611 2.537 2.701 . 0 0 "[ . 1 . 2]" 1
939 1 70 ALA HA 1 73 ALA H 4.270 . 4.770 3.453 3.376 3.505 . 0 0 "[ . 1 . 2]" 1
940 1 70 ALA HA 1 73 ALA MB 4.490 . 4.990 2.651 2.550 2.795 . 0 0 "[ . 1 . 2]" 1
941 1 70 ALA MB 1 71 LYS H 4.730 . 5.230 2.581 2.542 2.630 . 0 0 "[ . 1 . 2]" 1
942 1 70 ALA MB 1 91 PHE QD 5.590 . 6.090 3.493 3.241 3.654 . 0 0 "[ . 1 . 2]" 1
943 1 70 ALA MB 1 91 PHE QE 5.540 . 6.040 3.217 3.099 3.334 . 0 0 "[ . 1 . 2]" 1
944 1 71 LYS H 1 71 LYS HB2 3.890 . 4.390 2.337 2.283 2.397 . 0 0 "[ . 1 . 2]" 1
945 1 71 LYS H 1 71 LYS HB3 3.920 . 4.420 3.516 2.448 3.603 . 0 0 "[ . 1 . 2]" 1
946 1 71 LYS H 1 71 LYS QG 4.490 . 4.990 2.574 2.431 3.944 . 0 0 "[ . 1 . 2]" 1
947 1 71 LYS H 1 72 GLU H 4.100 . 4.600 2.783 2.722 2.834 . 0 0 "[ . 1 . 2]" 1
948 1 71 LYS HA 1 71 LYS HG2 3.970 . 4.470 2.698 2.472 3.215 . 0 0 "[ . 1 . 2]" 1
949 1 71 LYS HA 1 71 LYS HG3 3.970 . 4.470 2.740 2.554 2.981 . 0 0 "[ . 1 . 2]" 1
950 1 71 LYS HA 1 74 LYS H 4.470 . 4.970 3.810 3.706 3.911 . 0 0 "[ . 1 . 2]" 1
951 1 71 LYS HA 1 74 LYS QB 4.160 . 4.660 2.790 2.664 3.000 . 0 0 "[ . 1 . 2]" 1
952 1 71 LYS HA 1 74 LYS QD 5.130 . 5.630 3.923 3.666 4.230 . 0 0 "[ . 1 . 2]" 1
953 1 71 LYS HA 1 91 PHE HZ 3.460 . 3.960 2.401 2.314 2.546 . 0 0 "[ . 1 . 2]" 1
954 1 71 LYS HB2 1 72 GLU H 4.250 . 4.750 2.887 2.710 4.040 . 0 0 "[ . 1 . 2]" 1
955 1 71 LYS HB3 1 72 GLU H 4.000 . 4.500 3.566 2.934 3.890 . 0 0 "[ . 1 . 2]" 1
956 1 71 LYS QD 1 91 PHE QE 5.470 . 5.970 4.307 4.226 4.360 . 0 0 "[ . 1 . 2]" 1
957 1 71 LYS QG 1 91 PHE QE 6.480 . 6.980 2.578 2.461 3.325 . 0 0 "[ . 1 . 2]" 1
958 1 71 LYS QG 1 91 PHE HZ 4.330 . 4.830 2.357 2.173 2.700 . 0 0 "[ . 1 . 2]" 1
959 1 72 GLU H 1 72 GLU HB2 3.580 . 4.080 2.485 2.427 2.682 . 0 0 "[ . 1 . 2]" 1
960 1 72 GLU H 1 72 GLU HB3 3.580 . 4.080 2.547 2.466 2.586 . 0 0 "[ . 1 . 2]" 1
961 1 72 GLU H 1 72 GLU HG2 4.640 . 5.140 4.607 4.590 4.643 . 0 0 "[ . 1 . 2]" 1
962 1 72 GLU H 1 72 GLU HG3 4.550 . 5.050 4.518 4.466 4.536 . 0 0 "[ . 1 . 2]" 1
963 1 72 GLU H 1 73 ALA H 3.600 . 4.100 2.891 2.695 2.998 . 0 0 "[ . 1 . 2]" 1
964 1 72 GLU HA 1 72 GLU HG2 3.980 . 4.480 3.811 3.794 3.843 . 0 0 "[ . 1 . 2]" 1
965 1 72 GLU HA 1 72 GLU HG3 3.580 . 4.080 3.022 2.983 3.141 . 0 0 "[ . 1 . 2]" 1
966 1 72 GLU HA 1 74 LYS H 4.610 . 5.110 4.615 4.490 4.631 . 0 0 "[ . 1 . 2]" 1
967 1 72 GLU HA 1 75 GLU H 4.180 . 4.680 3.867 3.517 3.980 . 0 0 "[ . 1 . 2]" 1
968 1 72 GLU HA 1 75 GLU QB 4.160 . 4.660 3.519 3.340 3.765 . 0 0 "[ . 1 . 2]" 1
969 1 72 GLU HA 1 76 ARG H 5.160 . 5.660 4.565 4.102 5.166 . 0 0 "[ . 1 . 2]" 1
970 1 72 GLU HA 1 76 ARG QG 4.940 . 5.440 3.636 3.530 3.797 . 0 0 "[ . 1 . 2]" 1
971 1 72 GLU QB 1 73 ALA H 3.820 . 4.320 2.225 2.196 2.354 . 0 0 "[ . 1 . 2]" 1
972 1 72 GLU HB2 1 73 ALA H 3.900 . 4.400 3.695 3.669 3.811 . 0 0 "[ . 1 . 2]" 1
973 1 72 GLU HB3 1 73 ALA H 3.900 . 4.400 2.243 2.213 2.376 . 0 0 "[ . 1 . 2]" 1
974 1 72 GLU HG2 1 73 ALA H 4.570 . 5.070 4.205 4.131 4.364 . 0 0 "[ . 1 . 2]" 1
975 1 72 GLU HG2 1 76 ARG QG 4.640 . 5.140 3.741 3.638 3.814 . 0 0 "[ . 1 . 2]" 1
976 1 72 GLU HG3 1 76 ARG QD 5.060 . 5.560 3.861 3.308 4.142 . 0 0 "[ . 1 . 2]" 1
977 1 72 GLU HG3 1 76 ARG QG 4.330 . 4.830 2.289 2.207 2.381 . 0 0 "[ . 1 . 2]" 1
978 1 73 ALA H 1 74 LYS H 3.910 . 4.410 2.936 2.892 2.998 . 0 0 "[ . 1 . 2]" 1
979 1 73 ALA HA 1 76 ARG H 4.020 . 4.520 3.228 3.137 3.446 . 0 0 "[ . 1 . 2]" 1
980 1 73 ALA HA 1 76 ARG HB2 4.710 . 5.210 2.276 2.208 2.400 . 0 0 "[ . 1 . 2]" 1
981 1 73 ALA HA 1 76 ARG QB 4.470 . 4.970 2.261 2.195 2.382 . 0 0 "[ . 1 . 2]" 1
982 1 73 ALA HA 1 76 ARG HB3 4.710 . 5.210 3.884 3.795 4.008 . 0 0 "[ . 1 . 2]" 1
983 1 73 ALA HA 1 76 ARG QD 5.250 . 5.750 4.732 4.714 4.746 . 0 0 "[ . 1 . 2]" 1
984 1 73 ALA HA 1 77 ALA H 4.240 . 4.740 3.611 3.463 3.767 . 0 0 "[ . 1 . 2]" 1
985 1 73 ALA MB 1 74 LYS H 4.350 . 4.850 2.613 2.563 2.658 . 0 0 "[ . 1 . 2]" 1
986 1 73 ALA MB 1 74 LYS HA 5.500 . 6.000 3.942 3.896 4.019 . 0 0 "[ . 1 . 2]" 1
987 1 74 LYS H 1 74 LYS HB2 3.530 . 4.030 2.434 2.326 2.479 . 0 0 "[ . 1 . 2]" 1
988 1 74 LYS H 1 74 LYS HB3 3.530 . 4.030 2.468 2.377 2.589 . 0 0 "[ . 1 . 2]" 1
989 1 74 LYS H 1 74 LYS QD 5.250 . 5.750 4.285 4.243 4.473 . 0 0 "[ . 1 . 2]" 1
990 1 74 LYS H 1 75 GLU H 4.020 . 4.520 2.831 2.791 2.857 . 0 0 "[ . 1 . 2]" 1
991 1 74 LYS H 1 75 GLU QG 5.480 . 5.980 4.711 4.553 4.895 . 0 0 "[ . 1 . 2]" 1
992 1 74 LYS H 1 89 VAL MG1 5.940 . 6.440 4.101 4.023 4.197 . 0 0 "[ . 1 . 2]" 1
993 1 74 LYS HA 1 74 LYS QE 5.400 . 5.900 4.337 4.213 4.552 . 0 0 "[ . 1 . 2]" 1
994 1 74 LYS HA 1 77 ALA H 100.000 4.000 100.500 4.097 3.998 4.245 0.002 12 0 "[ . 1 . 2]" 1
995 1 74 LYS HA 1 78 ASN H 6.000 3.000 6.500 4.305 4.092 4.559 . 0 0 "[ . 1 . 2]" 1
996 1 74 LYS HA 1 89 VAL HB 4.220 . 4.720 3.103 2.916 3.330 . 0 0 "[ . 1 . 2]" 1
997 1 74 LYS HA 1 89 VAL MG1 3.880 . 4.380 2.070 2.031 2.153 . 0 0 "[ . 1 . 2]" 1
998 1 74 LYS QB 1 75 GLU H 4.410 . 4.910 2.891 2.632 3.034 . 0 0 "[ . 1 . 2]" 1
999 1 74 LYS HB2 1 91 PHE QE 5.150 . 5.650 3.557 3.384 3.661 . 0 0 "[ . 1 . 2]" 1
1000 1 74 LYS HB3 1 91 PHE QE 5.150 . 5.650 3.465 3.358 3.584 . 0 0 "[ . 1 . 2]" 1
1001 1 74 LYS QD 1 75 GLU H 5.020 . 5.520 3.420 3.076 3.953 . 0 0 "[ . 1 . 2]" 1
1002 1 74 LYS QD 1 75 GLU HA 4.410 . 4.910 3.206 2.640 3.706 . 0 0 "[ . 1 . 2]" 1
1003 1 74 LYS QD 1 75 GLU QG 5.390 . 5.890 2.728 2.559 4.356 . 0 0 "[ . 1 . 2]" 1
1004 1 74 LYS QD 1 90 ASP HA 4.840 . 5.340 3.880 3.718 4.208 . 0 0 "[ . 1 . 2]" 1
1005 1 74 LYS QD 1 91 PHE QE 4.880 . 5.380 2.810 2.663 3.167 . 0 0 "[ . 1 . 2]" 1
1006 1 74 LYS QE 1 89 VAL MG1 5.730 . 6.230 4.064 3.905 4.254 . 0 0 "[ . 1 . 2]" 1
1007 1 74 LYS QE 1 90 ASP HA 3.940 . 4.440 2.254 1.981 2.603 . 0 0 "[ . 1 . 2]" 1
1008 1 74 LYS QE 1 91 PHE H 4.860 . 5.360 3.105 2.501 3.517 . 0 0 "[ . 1 . 2]" 1
1009 1 74 LYS QE 1 91 PHE QE 4.860 . 5.360 3.472 2.708 3.725 . 0 0 "[ . 1 . 2]" 1
1010 1 74 LYS QG 1 89 VAL MG1 4.890 . 5.390 2.444 2.347 2.557 . 0 0 "[ . 1 . 2]" 1
1011 1 74 LYS HG2 1 90 ASP HA 4.590 . 5.090 2.670 2.512 2.854 . 0 0 "[ . 1 . 2]" 1
1012 1 74 LYS HG2 1 91 PHE QD 5.610 . 6.110 4.994 4.875 5.009 . 0 0 "[ . 1 . 2]" 1
1013 1 74 LYS HG2 1 91 PHE QE 5.610 . 6.110 4.864 4.681 4.963 . 0 0 "[ . 1 . 2]" 1
1014 1 74 LYS HG3 1 90 ASP HA 4.590 . 5.090 2.808 2.635 2.931 . 0 0 "[ . 1 . 2]" 1
1015 1 74 LYS HG3 1 91 PHE QD 5.610 . 6.110 3.618 3.530 3.677 . 0 0 "[ . 1 . 2]" 1
1016 1 74 LYS HG3 1 91 PHE QE 5.610 . 6.110 3.598 3.365 3.699 . 0 0 "[ . 1 . 2]" 1
1017 1 75 GLU H 1 75 GLU QB 3.700 . 4.200 2.367 2.286 2.469 . 0 0 "[ . 1 . 2]" 1
1018 1 75 GLU H 1 75 GLU HG2 4.140 . 4.640 2.878 2.638 3.758 . 0 0 "[ . 1 . 2]" 1
1019 1 75 GLU H 1 75 GLU QG 3.950 . 4.450 2.685 2.594 2.763 . 0 0 "[ . 1 . 2]" 1
1020 1 75 GLU H 1 75 GLU HG3 4.140 . 4.640 3.731 2.687 3.956 . 0 0 "[ . 1 . 2]" 1
1021 1 75 GLU H 1 76 ARG H 3.620 . 4.120 2.341 2.250 2.455 . 0 0 "[ . 1 . 2]" 1
1022 1 75 GLU HA 1 78 ASN H 100.000 4.000 100.500 4.017 3.972 4.219 0.028 4 0 "[ . 1 . 2]" 1
1023 1 75 GLU QB 1 76 ARG H 3.930 . 4.430 3.045 2.868 3.552 . 0 0 "[ . 1 . 2]" 1
1024 1 76 ARG H 1 76 ARG HB2 3.750 . 4.250 2.413 2.337 2.564 . 0 0 "[ . 1 . 2]" 1
1025 1 76 ARG H 1 76 ARG HB3 3.750 . 4.250 3.593 3.559 3.727 . 0 0 "[ . 1 . 2]" 1
1026 1 76 ARG H 1 76 ARG QD 5.150 . 5.650 4.061 3.919 4.473 . 0 0 "[ . 1 . 2]" 1
1027 1 76 ARG H 1 76 ARG QG 3.880 . 4.380 2.398 2.298 2.775 . 0 0 "[ . 1 . 2]" 1
1028 1 76 ARG H 1 77 ALA H 3.670 . 4.170 2.655 2.301 2.824 . 0 0 "[ . 1 . 2]" 1
1029 1 76 ARG H 1 77 ALA MB 5.370 . 5.870 4.349 4.077 4.481 . 0 0 "[ . 1 . 2]" 1
1030 1 76 ARG HA 1 76 ARG QD 3.910 . 4.410 2.460 2.209 3.328 . 0 0 "[ . 1 . 2]" 1
1031 1 76 ARG HA 1 76 ARG QG 3.760 . 4.260 2.792 2.679 3.036 . 0 0 "[ . 1 . 2]" 1
1032 1 76 ARG QB 1 77 ALA MB 5.510 . 6.010 3.294 3.217 3.384 . 0 0 "[ . 1 . 2]" 1
1033 1 76 ARG HB2 1 77 ALA H 4.260 . 4.760 2.480 2.347 2.570 . 0 0 "[ . 1 . 2]" 1
1034 1 76 ARG HB3 1 77 ALA H 4.260 . 4.760 3.464 3.319 3.559 . 0 0 "[ . 1 . 2]" 1
1035 1 76 ARG QD 1 77 ALA H 5.790 . 6.290 5.017 4.915 5.208 . 0 0 "[ . 1 . 2]" 1
1036 1 76 ARG QG 1 77 ALA H 5.140 . 5.640 4.072 3.965 4.140 . 0 0 "[ . 1 . 2]" 1
1037 1 77 ALA H 1 78 ASN H 3.710 . 4.210 2.604 2.559 2.715 . 0 0 "[ . 1 . 2]" 1
1038 1 77 ALA HA 1 80 MET H 4.680 . 5.180 3.685 3.605 3.803 . 0 0 "[ . 1 . 2]" 1
1039 1 77 ALA HA 1 80 MET HB2 3.940 . 4.440 3.939 3.873 3.968 . 0 0 "[ . 1 . 2]" 1
1040 1 77 ALA HA 1 80 MET HB3 3.940 . 4.440 2.504 2.421 2.614 . 0 0 "[ . 1 . 2]" 1
1041 1 77 ALA HA 1 80 MET ME 4.640 . 5.140 3.862 3.654 3.891 . 0 0 "[ . 1 . 2]" 1
1042 1 77 ALA HA 1 80 MET HG2 4.690 . 5.190 3.081 2.272 3.331 . 0 0 "[ . 1 . 2]" 1
1043 1 77 ALA MB 1 78 ASN H 5.040 . 5.540 3.236 3.140 3.292 . 0 0 "[ . 1 . 2]" 1
1044 1 77 ALA MB 1 80 MET QB 6.210 . 6.710 3.683 3.615 3.810 . 0 0 "[ . 1 . 2]" 1
1045 1 77 ALA MB 1 80 MET ME 5.120 . 5.620 3.597 3.555 3.610 . 0 0 "[ . 1 . 2]" 1
1046 1 77 ALA MB 1 80 MET HG2 4.950 . 5.450 3.021 2.558 3.182 . 0 0 "[ . 1 . 2]" 1
1047 1 77 ALA MB 1 80 MET HG3 6.040 . 6.540 4.060 3.361 4.222 . 0 0 "[ . 1 . 2]" 1
1048 1 77 ALA MB 1 87 ILE MD 5.000 . 5.500 2.436 2.322 2.581 . 0 0 "[ . 1 . 2]" 1
1049 1 77 ALA MB 1 89 VAL MG2 4.540 . 5.040 2.150 2.084 2.211 . 0 0 "[ . 1 . 2]" 1
1050 1 78 ASN H 1 78 ASN HB2 3.610 . 4.110 2.504 2.428 2.527 . 0 0 "[ . 1 . 2]" 1
1051 1 78 ASN H 1 78 ASN HB3 3.610 . 4.110 2.565 2.545 2.590 . 0 0 "[ . 1 . 2]" 1
1052 1 78 ASN H 1 89 VAL HB 4.740 . 5.240 3.249 3.072 3.515 . 0 0 "[ . 1 . 2]" 1
1053 1 78 ASN H 1 89 VAL MG2 5.600 . 6.100 3.379 3.273 3.462 . 0 0 "[ . 1 . 2]" 1
1054 1 78 ASN HA 1 79 GLY H 3.310 . 3.810 2.165 2.147 2.184 . 0 0 "[ . 1 . 2]" 1
1055 1 78 ASN HA 1 87 ILE QG 5.040 . 5.540 3.560 3.347 3.680 . 0 0 "[ . 1 . 2]" 1
1056 1 78 ASN HA 1 88 ARG HA 4.310 . 4.810 2.736 2.317 3.176 . 0 0 "[ . 1 . 2]" 1
1057 1 78 ASN HA 1 89 VAL H 3.340 . 3.840 2.893 2.797 3.069 . 0 0 "[ . 1 . 2]" 1
1058 1 78 ASN HA 1 89 VAL HB 3.760 . 4.260 3.044 2.742 3.444 . 0 0 "[ . 1 . 2]" 1
1059 1 78 ASN HA 1 89 VAL MG2 4.020 . 4.520 2.373 2.292 2.475 . 0 0 "[ . 1 . 2]" 1
1060 1 78 ASN QB 1 79 GLY H 4.890 . 5.390 3.943 3.907 3.970 . 0 0 "[ . 1 . 2]" 1
1061 1 78 ASN QB 1 89 VAL HB 4.280 . 4.780 2.315 2.240 2.450 . 0 0 "[ . 1 . 2]" 1
1062 1 78 ASN QB 1 89 VAL MG1 6.770 . 7.270 3.794 3.637 3.989 . 0 0 "[ . 1 . 2]" 1
1063 1 78 ASN QB 1 89 VAL MG2 5.310 . 5.810 3.368 3.179 3.491 . 0 0 "[ . 1 . 2]" 1
1064 1 78 ASN HB2 1 89 VAL HB 4.450 . 4.950 2.330 2.253 2.466 . 0 0 "[ . 1 . 2]" 1
1065 1 78 ASN HB2 1 89 VAL MG2 5.580 . 6.080 3.468 3.258 3.608 . 0 0 "[ . 1 . 2]" 1
1066 1 78 ASN HB3 1 89 VAL HB 4.450 . 4.950 3.999 3.902 4.195 . 0 0 "[ . 1 . 2]" 1
1067 1 78 ASN HB3 1 89 VAL MG2 5.580 . 6.080 4.566 4.429 4.651 . 0 0 "[ . 1 . 2]" 1
1068 1 79 GLY H 1 80 MET H 3.550 . 4.050 2.530 2.483 2.607 . 0 0 "[ . 1 . 2]" 1
1069 1 79 GLY H 1 87 ILE QG 4.790 . 5.290 3.239 3.086 3.323 . 0 0 "[ . 1 . 2]" 1
1070 1 79 GLY H 1 88 ARG HA 4.610 . 5.110 2.752 2.410 3.032 . 0 0 "[ . 1 . 2]" 1
1071 1 79 GLY H 1 89 VAL MG2 4.670 . 5.170 3.674 3.502 3.831 . 0 0 "[ . 1 . 2]" 1
1072 1 79 GLY QA 1 86 ARG QD 125.990 3.500 126.490 4.832 3.970 5.276 . 0 0 "[ . 1 . 2]" 1
1073 1 79 GLY QA 1 86 ARG QG 125.990 3.500 126.490 3.046 2.760 3.515 0.740 9 12 "[ ***.**-+1 *** ** 2]" 1
1074 1 79 GLY HA2 1 86 ARG HB3 4.330 . 4.830 4.051 3.039 4.394 . 0 0 "[ . 1 . 2]" 1
1075 1 79 GLY HA2 1 86 ARG QD 6.170 . 6.670 5.099 4.219 5.560 . 0 0 "[ . 1 . 2]" 1
1076 1 79 GLY HA2 1 86 ARG HG2 4.900 . 5.400 4.076 3.719 4.909 . 0 0 "[ . 1 . 2]" 1
1077 1 79 GLY HA2 1 86 ARG QG 4.610 . 5.110 3.130 2.813 3.645 . 0 0 "[ . 1 . 2]" 1
1078 1 79 GLY HA2 1 86 ARG HG3 4.900 . 5.400 3.291 2.863 4.258 . 0 0 "[ . 1 . 2]" 1
1079 1 79 GLY HA3 1 86 ARG HA 100.000 4.000 100.500 6.256 5.876 6.448 . 0 0 "[ . 1 . 2]" 1
1080 1 79 GLY HA3 1 86 ARG QG 5.130 . 5.630 4.218 3.979 4.614 . 0 0 "[ . 1 . 2]" 1
1081 1 79 GLY HA3 1 88 ARG HD2 100.000 5.000 100.500 8.154 6.575 9.293 . 0 0 "[ . 1 . 2]" 1
1082 1 79 GLY HA3 1 88 ARG HD3 100.000 5.000 100.500 7.832 6.256 8.968 . 0 0 "[ . 1 . 2]" 1
1083 1 80 MET H 1 80 MET HB2 3.710 . 4.210 3.693 3.670 3.705 . 0 0 "[ . 1 . 2]" 1
1084 1 80 MET H 1 80 MET QB 3.560 . 4.060 2.514 2.476 2.538 . 0 0 "[ . 1 . 2]" 1
1085 1 80 MET H 1 80 MET HB3 3.710 . 4.210 2.559 2.517 2.585 . 0 0 "[ . 1 . 2]" 1
1086 1 80 MET H 1 80 MET HG2 3.660 . 4.160 2.559 2.439 3.445 . 0 0 "[ . 1 . 2]" 1
1087 1 80 MET H 1 80 MET HG3 4.070 . 4.570 3.603 2.583 3.750 . 0 0 "[ . 1 . 2]" 1
1088 1 80 MET H 1 87 ILE MD 5.100 . 5.600 3.972 3.849 4.051 . 0 0 "[ . 1 . 2]" 1
1089 1 80 MET H 1 87 ILE HG12 4.430 . 4.930 3.082 2.996 3.182 . 0 0 "[ . 1 . 2]" 1
1090 1 80 MET H 1 87 ILE QG 4.270 . 4.770 2.925 2.832 2.996 . 0 0 "[ . 1 . 2]" 1
1091 1 80 MET H 1 87 ILE HG13 4.430 . 4.930 3.647 3.488 3.779 . 0 0 "[ . 1 . 2]" 1
1092 1 80 MET HA 1 80 MET HG2 3.970 . 4.470 3.815 3.771 4.125 . 0 0 "[ . 1 . 2]" 1
1093 1 80 MET HA 1 80 MET HG3 3.820 . 4.320 3.695 3.625 3.710 . 0 0 "[ . 1 . 2]" 1
1094 1 80 MET HA 1 81 GLU H 3.010 . 3.510 2.489 2.341 2.581 . 0 0 "[ . 1 . 2]" 1
1095 1 80 MET QB 1 81 GLU H 3.700 . 4.200 2.390 2.346 2.480 . 0 0 "[ . 1 . 2]" 1
1096 1 80 MET QB 1 87 ILE MD 5.200 . 5.700 3.883 3.874 3.891 . 0 0 "[ . 1 . 2]" 1
1097 1 80 MET HB2 1 81 GLU H 3.820 . 4.320 2.414 2.367 2.510 . 0 0 "[ . 1 . 2]" 1
1098 1 80 MET HB2 1 87 ILE MD 5.610 . 6.110 4.496 4.451 4.571 . 0 0 "[ . 1 . 2]" 1
1099 1 80 MET HB3 1 81 GLU H 3.820 . 4.320 3.840 3.819 3.878 . 0 0 "[ . 1 . 2]" 1
1100 1 80 MET HB3 1 87 ILE MD 5.610 . 6.110 4.247 4.193 4.273 . 0 0 "[ . 1 . 2]" 1
1101 1 80 MET ME 1 81 GLU H 4.410 . 4.910 3.484 3.361 3.674 . 0 0 "[ . 1 . 2]" 1
1102 1 80 MET ME 1 82 LEU MD1 4.470 . 4.970 3.119 3.101 3.130 . 0 0 "[ . 1 . 2]" 1
1103 1 80 MET ME 1 82 LEU MD2 7.730 . 8.230 4.144 3.705 4.849 . 0 0 "[ . 1 . 2]" 1
1104 1 80 MET ME 1 87 ILE MD 5.410 . 5.910 3.474 3.350 3.666 . 0 0 "[ . 1 . 2]" 1
1105 1 80 MET HG2 1 81 GLU H 4.540 . 5.040 4.170 4.039 4.554 . 0 0 "[ . 1 . 2]" 1
1106 1 80 MET HG2 1 87 ILE MD 4.360 . 4.860 2.234 2.170 2.655 . 0 0 "[ . 1 . 2]" 1
1107 1 80 MET HG2 1 87 ILE HG12 4.230 . 4.730 2.346 2.168 3.743 . 0 0 "[ . 1 . 2]" 1
1108 1 80 MET HG2 1 87 ILE QG 4.120 . 4.620 2.278 2.119 3.508 . 0 0 "[ . 1 . 2]" 1
1109 1 80 MET HG2 1 87 ILE HG13 4.230 . 4.730 3.135 2.886 4.251 . 0 0 "[ . 1 . 2]" 1
1110 1 80 MET HG3 1 81 GLU H 4.140 . 4.640 3.050 2.810 3.974 . 0 0 "[ . 1 . 2]" 1
1111 1 80 MET HG3 1 82 LEU QB 5.860 . 6.360 3.291 2.807 4.028 . 0 0 "[ . 1 . 2]" 1
1112 1 80 MET HG3 1 82 LEU MD1 5.370 . 5.870 4.427 4.247 4.505 . 0 0 "[ . 1 . 2]" 1
1113 1 80 MET HG3 1 87 ILE MD 4.280 . 4.780 2.558 2.155 2.784 . 0 0 "[ . 1 . 2]" 1
1114 1 80 MET HG3 1 87 ILE QG 4.640 . 5.140 2.812 2.052 3.032 . 0 0 "[ . 1 . 2]" 1
1115 1 80 MET HG3 1 87 ILE MG 5.020 . 5.520 3.862 3.778 4.002 . 0 0 "[ . 1 . 2]" 1
1116 1 81 GLU H 1 81 GLU HB2 3.160 . 3.660 2.842 2.710 2.955 . 0 0 "[ . 1 . 2]" 1
1117 1 81 GLU H 1 81 GLU HB3 3.380 . 3.880 2.672 2.467 2.754 . 0 0 "[ . 1 . 2]" 1
1118 1 81 GLU H 1 81 GLU HG2 4.580 . 5.080 4.562 4.446 4.608 . 0 0 "[ . 1 . 2]" 1
1119 1 81 GLU H 1 81 GLU HG3 4.880 . 5.380 4.602 4.551 4.647 . 0 0 "[ . 1 . 2]" 1
1120 1 81 GLU HA 1 82 LEU H 3.450 . 3.950 2.149 2.085 2.183 . 0 0 "[ . 1 . 2]" 1
1121 1 81 GLU HA 1 86 ARG HA 3.700 . 4.200 2.411 2.224 2.980 . 0 0 "[ . 1 . 2]" 1
1122 1 81 GLU HA 1 87 ILE H 4.580 . 5.080 3.409 3.204 4.040 . 0 0 "[ . 1 . 2]" 1
1123 1 81 GLU HB2 1 82 LEU H 4.360 . 4.860 4.273 4.167 4.361 . 0 0 "[ . 1 . 2]" 1
1124 1 81 GLU HB2 1 86 ARG HA 5.030 . 5.530 3.909 3.665 4.829 . 0 0 "[ . 1 . 2]" 1
1125 1 81 GLU HB3 1 82 LEU H 4.680 . 5.180 4.100 3.999 4.318 . 0 0 "[ . 1 . 2]" 1
1126 1 81 GLU HG2 1 82 LEU H 3.820 . 4.320 3.052 2.908 3.405 . 0 0 "[ . 1 . 2]" 1
1127 1 81 GLU HG2 1 84 GLY H 4.050 . 4.550 2.749 2.386 3.230 . 0 0 "[ . 1 . 2]" 1
1128 1 81 GLU HG2 1 84 GLY QA 5.060 . 5.560 2.749 2.452 3.765 . 0 0 "[ . 1 . 2]" 1
1129 1 81 GLU HG2 1 85 ARG H 4.380 . 4.880 3.745 3.168 4.397 . 0 0 "[ . 1 . 2]" 1
1130 1 81 GLU HG3 1 82 LEU H 4.130 . 4.630 2.999 2.737 3.399 . 0 0 "[ . 1 . 2]" 1
1131 1 81 GLU HG3 1 84 GLY H 4.500 . 5.000 3.882 3.074 4.184 . 0 0 "[ . 1 . 2]" 1
1132 1 81 GLU HG3 1 85 ARG HA 5.500 . 6.000 4.134 3.774 5.025 . 0 0 "[ . 1 . 2]" 1
1133 1 81 GLU HG3 1 86 ARG HA 5.500 . 6.000 3.451 2.992 4.862 . 0 0 "[ . 1 . 2]" 1
1134 1 81 GLU HG3 1 86 ARG QD 5.130 . 5.630 2.789 2.535 3.566 . 0 0 "[ . 1 . 2]" 1
1135 1 82 LEU H 1 82 LEU HB2 4.190 . 4.690 3.096 2.750 3.321 . 0 0 "[ . 1 . 2]" 1
1136 1 82 LEU H 1 82 LEU HB3 4.190 . 4.690 2.741 2.624 2.882 . 0 0 "[ . 1 . 2]" 1
1137 1 82 LEU H 1 85 ARG H 3.610 . 4.110 3.013 2.749 3.307 . 0 0 "[ . 1 . 2]" 1
1138 1 82 LEU H 1 86 ARG HA 4.160 . 4.660 3.680 3.427 3.898 . 0 0 "[ . 1 . 2]" 1
1139 1 82 LEU H 1 87 ILE MG 4.760 . 5.260 3.006 2.813 3.292 . 0 0 "[ . 1 . 2]" 1
1140 1 82 LEU HA 1 82 LEU MD1 3.590 . 4.090 2.147 2.104 2.185 . 0 0 "[ . 1 . 2]" 1
1141 1 82 LEU HA 1 82 LEU HG 3.990 . 4.490 3.046 2.779 3.179 . 0 0 "[ . 1 . 2]" 1
1142 1 82 LEU HA 1 83 ASP H 3.190 . 3.690 2.154 2.128 2.181 . 0 0 "[ . 1 . 2]" 1
1143 1 82 LEU QB 1 83 ASP H 4.510 . 5.010 3.893 3.826 3.944 . 0 0 "[ . 1 . 2]" 1
1144 1 82 LEU QB 1 87 ILE MG 4.580 . 5.080 2.175 2.091 2.270 . 0 0 "[ . 1 . 2]" 1
1145 1 82 LEU HB2 1 83 ASP H 4.640 . 5.140 4.446 4.329 4.569 . 0 0 "[ . 1 . 2]" 1
1146 1 82 LEU HB3 1 83 ASP H 4.640 . 5.140 4.303 4.258 4.365 . 0 0 "[ . 1 . 2]" 1
1147 1 82 LEU MD1 1 83 ASP H 4.360 . 4.860 2.877 2.396 3.510 . 0 0 "[ . 1 . 2]" 1
1148 1 82 LEU HG 1 83 ASP QB 4.930 . 5.430 3.264 3.034 3.454 . 0 0 "[ . 1 . 2]" 1
1149 1 83 ASP H 1 84 GLY H 3.930 . 4.430 2.776 2.718 2.840 . 0 0 "[ . 1 . 2]" 1
1150 1 83 ASP HA 1 84 GLY H 3.430 . 3.930 2.894 2.777 2.968 . 0 0 "[ . 1 . 2]" 1
1151 1 84 GLY H 1 85 ARG H 3.530 . 4.030 2.689 2.512 2.958 . 0 0 "[ . 1 . 2]" 1
1152 1 85 ARG H 1 85 ARG QB 3.550 . 4.050 2.585 2.322 2.759 . 0 0 "[ . 1 . 2]" 1
1153 1 85 ARG H 1 85 ARG QD 5.110 . 5.610 3.626 3.018 4.569 . 0 0 "[ . 1 . 2]" 1
1154 1 85 ARG H 1 85 ARG HG2 4.300 . 4.800 2.583 2.217 3.111 . 0 0 "[ . 1 . 2]" 1
1155 1 85 ARG H 1 85 ARG QG 3.910 . 4.410 2.543 2.201 3.017 . 0 0 "[ . 1 . 2]" 1
1156 1 85 ARG H 1 85 ARG HG3 4.300 . 4.800 3.908 3.574 4.267 . 0 0 "[ . 1 . 2]" 1
1157 1 85 ARG HA 1 85 ARG QD 3.450 . 3.950 2.418 2.183 2.967 . 0 0 "[ . 1 . 2]" 1
1158 1 85 ARG HA 1 86 ARG H . . 3.000 2.246 2.196 2.309 . 0 0 "[ . 1 . 2]" 1
1159 1 85 ARG QB 1 86 ARG H 4.050 . 4.550 3.121 2.685 3.275 . 0 0 "[ . 1 . 2]" 1
1160 1 85 ARG HB2 1 86 ARG H 4.430 . 4.930 4.076 3.607 4.357 . 0 0 "[ . 1 . 2]" 1
1161 1 85 ARG HB3 1 86 ARG H 4.430 . 4.930 3.243 2.769 3.424 . 0 0 "[ . 1 . 2]" 1
1162 1 85 ARG QD 1 86 ARG H 4.710 . 5.210 4.107 3.720 4.279 . 0 0 "[ . 1 . 2]" 1
1163 1 86 ARG H 1 86 ARG HB2 3.260 . 3.760 2.231 2.135 2.378 . 0 0 "[ . 1 . 2]" 1
1164 1 86 ARG H 1 86 ARG HB3 3.540 . 4.040 3.297 3.094 3.594 . 0 0 "[ . 1 . 2]" 1
1165 1 86 ARG H 1 86 ARG QD 4.530 . 5.030 3.319 2.449 4.051 . 0 0 "[ . 1 . 2]" 1
1166 1 86 ARG H 1 86 ARG HG2 4.540 . 5.040 4.465 4.239 4.555 . 0 0 "[ . 1 . 2]" 1
1167 1 86 ARG H 1 86 ARG QG 4.420 . 4.920 3.936 3.673 4.021 . 0 0 "[ . 1 . 2]" 1
1168 1 86 ARG H 1 86 ARG HG3 4.540 . 5.040 4.381 3.943 4.535 . 0 0 "[ . 1 . 2]" 1
1169 1 86 ARG HA 1 86 ARG QD 4.210 . 4.710 2.310 2.101 3.076 . 0 0 "[ . 1 . 2]" 1
1170 1 86 ARG HA 1 86 ARG HG2 3.690 . 4.190 3.581 3.499 3.660 . 0 0 "[ . 1 . 2]" 1
1171 1 86 ARG HA 1 86 ARG HG3 3.690 . 4.190 2.430 2.205 2.650 . 0 0 "[ . 1 . 2]" 1
1172 1 86 ARG HA 1 87 ILE H 2.500 . 3.000 2.190 2.125 2.259 . 0 0 "[ . 1 . 2]" 1
1173 1 86 ARG HA 1 87 ILE MG 4.580 . 5.080 3.468 3.341 3.590 . 0 0 "[ . 1 . 2]" 1
1174 1 86 ARG QB 1 88 ARG QD 125.990 5.000 126.490 5.914 5.041 7.249 . 0 0 "[ . 1 . 2]" 1
1175 1 86 ARG QB 2 3 A H2 6.730 3.000 7.230 3.824 3.195 6.004 . 0 0 "[ . 1 . 2]" 1
1176 1 86 ARG HB3 1 87 ILE H 4.210 . 4.710 3.573 3.116 3.857 . 0 0 "[ . 1 . 2]" 1
1177 1 86 ARG QG 1 87 ILE H 5.330 . 5.830 3.250 2.829 3.788 . 0 0 "[ . 1 . 2]" 1
1178 1 87 ILE H 1 87 ILE HB 4.000 . 4.500 3.795 3.759 3.836 . 0 0 "[ . 1 . 2]" 1
1179 1 87 ILE H 1 87 ILE MD 4.490 . 4.990 3.774 3.746 3.791 . 0 0 "[ . 1 . 2]" 1
1180 1 87 ILE H 1 87 ILE HG12 4.060 . 4.560 2.268 2.183 2.327 . 0 0 "[ . 1 . 2]" 1
1181 1 87 ILE H 1 87 ILE QG 3.920 . 4.420 2.241 2.159 2.299 . 0 0 "[ . 1 . 2]" 1
1182 1 87 ILE H 1 87 ILE HG13 4.060 . 4.560 3.506 3.393 3.582 . 0 0 "[ . 1 . 2]" 1
1183 1 87 ILE H 1 87 ILE MG 3.960 . 4.460 2.522 2.451 2.661 . 0 0 "[ . 1 . 2]" 1
1184 1 87 ILE HA 1 88 ARG H 3.430 . 3.930 2.274 2.169 2.387 . 0 0 "[ . 1 . 2]" 1
1185 1 87 ILE HA 2 3 A H2 6.000 3.000 6.500 3.091 2.969 3.641 0.031 19 0 "[ . 1 . 2]" 1
1186 1 87 ILE HB 1 88 ARG H 3.630 . 4.130 2.648 2.331 2.972 . 0 0 "[ . 1 . 2]" 1
1187 1 87 ILE MD 1 89 VAL MG2 4.770 . 5.270 2.901 2.642 3.123 . 0 0 "[ . 1 . 2]" 1
1188 1 87 ILE QG 1 89 VAL MG2 5.450 . 5.950 2.501 2.294 2.781 . 0 0 "[ . 1 . 2]" 1
1189 1 87 ILE MG 2 3 A H2 7.210 3.000 7.710 4.869 4.725 5.180 . 0 0 "[ . 1 . 2]" 1
1190 1 88 ARG H 2 3 A H2 6.000 3.000 6.500 3.460 2.999 3.947 0.001 18 0 "[ . 1 . 2]" 1
1191 1 88 ARG HA 1 89 VAL H 3.550 . 4.050 2.321 2.267 2.357 . 0 0 "[ . 1 . 2]" 1
1192 1 88 ARG HA 2 3 A H2 6.000 3.000 6.500 4.675 4.296 5.048 . 0 0 "[ . 1 . 2]" 1
1193 1 88 ARG HB2 2 3 A H2 5.000 . 5.500 3.817 2.364 5.014 . 0 0 "[ . 1 . 2]" 1
1194 1 88 ARG HB3 2 3 A H2 5.000 . 5.500 4.737 2.277 5.062 . 0 0 "[ . 1 . 2]" 1
1195 1 88 ARG HD2 2 3 A H2 5.000 . 5.500 3.849 2.853 5.004 . 0 0 "[ . 1 . 2]" 1
1196 1 88 ARG HD3 2 3 A H2 5.000 . 5.500 4.387 3.758 5.033 . 0 0 "[ . 1 . 2]" 1
1197 1 88 ARG HE 2 3 A H1' 100.000 3.500 100.500 5.821 4.984 7.383 . 0 0 "[ . 1 . 2]" 1
1198 1 88 ARG HE 2 3 A H2 5.000 . 5.500 3.807 3.356 4.646 . 0 0 "[ . 1 . 2]" 1
1199 1 88 ARG HE 2 4 G H8 100.000 5.000 100.500 6.104 4.980 6.836 0.020 12 0 "[ . 1 . 2]" 1
1200 1 88 ARG HG2 2 3 A H2 5.000 . 5.500 3.809 2.518 4.635 . 0 0 "[ . 1 . 2]" 1
1201 1 88 ARG HG3 2 3 A H2 5.000 . 5.500 2.436 2.101 4.634 . 0 0 "[ . 1 . 2]" 1
1202 1 88 ARG QH2 2 3 A H1' 112.250 3.500 112.750 4.548 3.084 5.978 0.416 1 0 "[ . 1 . 2]" 1
1203 1 88 ARG QH2 2 3 A H2 5.610 . 6.110 4.547 4.169 5.021 . 0 0 "[ . 1 . 2]" 1
1204 1 88 ARG QH2 2 4 G H8 6.730 3.000 7.230 5.059 3.062 7.105 . 0 0 "[ . 1 . 2]" 1
1205 1 89 VAL H 1 89 VAL HB 3.610 . 4.110 2.915 2.877 2.964 . 0 0 "[ . 1 . 2]" 1
1206 1 89 VAL H 1 89 VAL MG2 4.340 . 4.840 2.983 2.871 3.041 . 0 0 "[ . 1 . 2]" 1
1207 1 89 VAL HA 1 90 ASP H 3.550 . 4.050 2.177 2.136 2.208 . 0 0 "[ . 1 . 2]" 1
1208 1 89 VAL MG1 1 90 ASP H 4.340 . 4.840 2.467 2.386 2.578 . 0 0 "[ . 1 . 2]" 1
1209 1 89 VAL MG1 1 90 ASP HA 5.920 . 6.420 3.628 3.369 3.721 . 0 0 "[ . 1 . 2]" 1
1210 1 90 ASP QB 1 91 PHE H 4.250 . 4.750 3.115 2.284 3.422 . 0 0 "[ . 1 . 2]" 1
1211 1 90 ASP HB2 1 91 PHE H 4.430 . 4.930 3.951 3.653 4.148 . 0 0 "[ . 1 . 2]" 1
1212 1 90 ASP HB2 2 5 A Q6 6.730 3.000 7.230 3.720 2.659 4.711 0.341 7 0 "[ . 1 . 2]" 1
1213 1 90 ASP HB3 1 91 PHE H 4.430 . 4.930 3.303 2.307 3.713 . 0 0 "[ . 1 . 2]" 1
1214 1 90 ASP HB3 2 5 A Q6 6.730 3.000 7.230 2.827 2.651 3.557 0.349 10 0 "[ . 1 . 2]" 1
1215 1 91 PHE H 1 91 PHE QD 4.570 . 5.070 2.826 2.578 2.943 . 0 0 "[ . 1 . 2]" 1
1216 1 92 SER HA 2 5 A Q6 6.730 3.000 7.230 2.708 2.638 3.016 0.362 13 0 "[ . 1 . 2]" 1
1217 1 92 SER HA 2 5 A H8 6.000 3.000 6.500 3.747 3.487 3.963 . 0 0 "[ . 1 . 2]" 1
1218 1 92 SER HB2 1 94 THR H 4.960 . 5.460 3.953 2.675 4.871 . 0 0 "[ . 1 . 2]" 1
1219 1 92 SER HB3 1 94 THR H 4.960 . 5.460 3.087 2.333 4.579 . 0 0 "[ . 1 . 2]" 1
1220 1 93 ILE H 1 94 THR H 4.830 . 5.330 2.378 2.236 2.592 . 0 0 "[ . 1 . 2]" 1
1221 1 93 ILE H 2 5 A Q6 6.730 3.000 7.230 2.955 2.691 3.288 0.309 7 0 "[ . 1 . 2]" 1
1222 1 93 ILE H 2 5 A H8 6.000 3.000 6.500 3.080 2.970 3.247 0.030 12 0 "[ . 1 . 2]" 1
1223 1 93 ILE HA 1 94 THR MG 5.220 . 5.720 4.354 4.261 4.377 . 0 0 "[ . 1 . 2]" 1
1224 1 93 ILE MD 1 94 THR MG 5.370 . 5.870 3.332 2.701 3.642 . 0 0 "[ . 1 . 2]" 1
1225 1 93 ILE MD 2 5 A H2 7.210 3.000 7.710 4.712 3.948 5.538 . 0 0 "[ . 1 . 2]" 1
1226 1 93 ILE MD 2 5 A Q6 8.090 3.000 8.590 4.075 3.517 4.679 . 0 0 "[ . 1 . 2]" 1
1227 1 93 ILE MD 2 5 A H8 7.210 3.000 7.710 4.485 4.144 4.732 . 0 0 "[ . 1 . 2]" 1
1228 1 93 ILE QG 1 94 THR MG 5.160 . 5.660 2.226 2.011 2.467 . 0 0 "[ . 1 . 2]" 1
1229 1 93 ILE HG12 1 94 THR MG 5.430 . 5.930 3.632 2.584 4.048 . 0 0 "[ . 1 . 2]" 1
1230 1 93 ILE HG13 1 94 THR MG 5.430 . 5.930 2.249 2.097 2.489 . 0 0 "[ . 1 . 2]" 1
1231 1 93 ILE MG 2 5 A H1' 7.210 3.000 7.710 6.032 6.011 6.058 . 0 0 "[ . 1 . 2]" 1
1232 1 93 ILE MG 2 5 A H2 7.210 3.000 7.710 5.415 4.990 5.595 . 0 0 "[ . 1 . 2]" 1
1233 1 93 ILE MG 2 5 A Q6 8.090 3.000 8.590 2.485 2.254 2.667 0.746 11 11 "[* - * ****+ . * **]" 1
1234 1 93 ILE MG 2 5 A H8 7.210 3.000 7.710 4.732 4.594 4.829 . 0 0 "[ . 1 . 2]" 1
1235 1 94 THR H 2 5 A H8 5.000 . 5.500 2.703 2.424 3.675 . 0 0 "[ . 1 . 2]" 1
1236 1 94 THR HB 1 95 LYS H 4.130 . 4.630 2.417 1.833 2.911 . 0 0 "[ . 1 . 2]" 1
1237 1 94 THR MG 2 5 A H1' 7.210 3.000 7.710 4.392 3.773 4.896 . 0 0 "[ . 1 . 2]" 1
1238 1 94 THR MG 2 5 A H8 6.000 . 6.500 4.210 3.581 4.565 . 0 0 "[ . 1 . 2]" 1
1239 1 94 THR MG 2 6 A H8 7.210 3.000 7.710 5.517 4.675 6.031 . 0 0 "[ . 1 . 2]" 1
1240 1 95 LYS H 1 95 LYS QD 5.580 . 6.080 4.057 2.239 4.871 . 0 0 "[ . 1 . 2]" 1
1241 1 95 LYS HA 1 96 ARG H 3.540 . 4.040 2.360 2.143 2.642 . 0 0 "[ . 1 . 2]" 1
1242 1 95 LYS QB 1 96 ARG H 4.280 . 4.780 2.360 2.014 2.575 . 0 0 "[ . 1 . 2]" 1
1243 1 95 LYS QB 2 6 A H2 5.610 . 6.110 5.024 4.902 5.087 . 0 0 "[ . 1 . 2]" 1
1244 1 95 LYS HB2 1 96 ARG H 4.650 . 5.150 2.386 2.026 2.620 . 0 0 "[ . 1 . 2]" 1
1245 1 95 LYS HB3 1 96 ARG H 4.650 . 5.150 3.751 3.490 3.936 . 0 0 "[ . 1 . 2]" 1
1246 1 96 ARG HA 1 96 ARG HD2 4.610 . 5.110 3.724 2.192 4.631 . 0 0 "[ . 1 . 2]" 1
1247 1 96 ARG HA 1 96 ARG QD 4.520 . 5.020 3.234 2.150 4.095 . 0 0 "[ . 1 . 2]" 1
1248 1 96 ARG HA 1 96 ARG HD3 4.610 . 5.110 3.768 2.162 4.658 . 0 0 "[ . 1 . 2]" 1
1249 1 96 ARG HA 1 97 PRO QD 3.960 . 4.460 3.072 2.036 3.622 . 0 0 "[ . 1 . 2]" 1
1250 1 96 ARG QB 1 97 PRO QD 4.860 . 5.360 2.508 2.032 3.854 . 0 0 "[ . 1 . 2]" 1
1251 1 96 ARG QB 2 6 A H2 5.610 . 6.110 3.567 2.172 4.674 . 0 0 "[ . 1 . 2]" 1
1252 1 96 ARG HB2 1 97 PRO QD 5.010 . 5.510 3.032 2.078 4.211 . 0 0 "[ . 1 . 2]" 1
1253 1 96 ARG HB3 1 97 PRO QD 5.010 . 5.510 3.141 2.060 4.471 . 0 0 "[ . 1 . 2]" 1
1254 1 96 ARG QD 2 6 A H2 6.730 3.000 7.230 4.541 2.927 6.025 0.073 14 0 "[ . 1 . 2]" 1
1255 1 96 ARG HD2 2 6 A H2 100.000 3.000 100.500 5.100 2.957 7.475 0.043 14 0 "[ . 1 . 2]" 1
1256 1 96 ARG HD3 2 6 A H2 100.000 3.000 100.500 5.524 3.878 7.345 . 0 0 "[ . 1 . 2]" 1
1257 1 96 ARG QG 1 97 PRO QD 5.680 . 6.180 3.318 2.185 4.014 . 0 0 "[ . 1 . 2]" 1
1258 1 96 ARG QG 2 6 A H2 5.610 . 6.110 4.114 2.847 5.031 . 0 0 "[ . 1 . 2]" 1
1259 1 97 PRO QD 2 6 A H2 5.610 . 6.110 4.791 4.166 5.045 . 0 0 "[ . 1 . 2]" 1
1260 1 97 PRO QD 2 6 A H2' 112.250 5.000 112.750 6.588 4.428 7.980 0.572 16 4 "[ * . 1 - *+ 2]" 1
1261 1 97 PRO QD 2 6 A H3' 112.250 5.000 112.750 8.107 5.107 9.753 . 0 0 "[ . 1 . 2]" 1
1262 2 2 A H1' 2 3 A H8 6.000 3.000 6.500 5.001 3.127 6.008 . 0 0 "[ . 1 . 2]" 1
1263 2 3 A H1' 2 3 A H2 5.000 . 5.500 4.566 4.433 5.021 . 0 0 "[ . 1 . 2]" 1
1264 2 3 A H1' 2 3 A H8 5.000 . 5.500 3.850 3.581 3.920 . 0 0 "[ . 1 . 2]" 1
1265 2 3 A H1' 2 4 G H8 5.000 . 5.500 4.306 3.557 5.017 . 0 0 "[ . 1 . 2]" 1
1266 2 3 A H2 2 4 G H8 100.000 5.000 100.500 6.673 4.963 7.576 0.037 18 0 "[ . 1 . 2]" 1
1267 2 3 A H5' 2 3 A H8 5.000 . 5.500 3.836 2.567 4.811 . 0 0 "[ . 1 . 2]" 1
1268 2 3 A H5'' 2 3 A H8 5.000 . 5.500 4.521 2.809 5.045 . 0 0 "[ . 1 . 2]" 1
1269 2 3 A H8 2 4 G H8 100.000 5.000 100.500 6.898 6.374 7.569 . 0 0 "[ . 1 . 2]" 1
1270 2 4 G H1' 2 4 G H2' 6.000 3.000 6.500 3.018 2.994 3.039 0.006 14 0 "[ . 1 . 2]" 1
1271 2 4 G H1' 2 4 G H4' 6.000 3.000 6.500 3.404 3.040 3.645 . 0 0 "[ . 1 . 2]" 1
1272 2 4 G H1' 2 4 G H8 5.000 3.000 5.500 3.882 3.843 3.908 . 0 0 "[ . 1 . 2]" 1
1273 2 4 G H1' 2 5 A H1' 100.000 5.000 100.500 7.585 6.904 8.010 . 0 0 "[ . 1 . 2]" 1
1274 2 4 G H1' 2 5 A H2 . . 4.000 2.739 2.022 3.397 . 0 0 "[ . 1 . 2]" 1
1275 2 4 G H2' 2 4 G H8 3.500 . 4.000 2.615 2.170 3.189 . 0 0 "[ . 1 . 2]" 1
1276 2 4 G Q2 2 5 A H2 . 3.000 6.110 2.740 2.652 3.222 0.348 5 0 "[ . 1 . 2]" 1
1277 2 4 G Q2 2 5 A Q6 7.560 3.000 8.060 2.361 2.349 2.376 0.651 5 20 [****+**********-****] 1
1278 2 5 A H1' 2 5 A H8 3.500 . 4.000 2.517 2.489 2.549 . 0 0 "[ . 1 . 2]" 1
1279 2 5 A H1' 2 6 A H8 5.000 . 5.500 2.335 2.221 2.566 . 0 0 "[ . 1 . 2]" 1
1280 2 5 A H2 2 5 A H2' 5.000 . 5.500 4.090 3.912 4.271 . 0 0 "[ . 1 . 2]" 1
1281 2 5 A H2 2 5 A H4' 6.000 3.000 6.500 6.063 6.014 6.134 . 0 0 "[ . 1 . 2]" 1
1282 2 5 A H4' 2 6 A H8 5.000 . 5.500 3.187 2.709 3.638 . 0 0 "[ . 1 . 2]" 1
1283 2 5 A Q6 2 5 A H8 6.730 3.000 7.230 4.861 4.827 4.918 . 0 0 "[ . 1 . 2]" 1
1284 2 5 A H8 2 6 A H8 5.000 . 5.500 4.169 3.925 4.570 . 0 0 "[ . 1 . 2]" 1
1285 2 6 A H2' 2 6 A H8 3.500 . 4.000 2.845 2.482 3.296 . 0 0 "[ . 1 . 2]" 1
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