NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
375115 |
1eww   |
5572 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1eww
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 861
_Distance_constraint_stats_list.Viol_count 329
_Distance_constraint_stats_list.Viol_total 319.355
_Distance_constraint_stats_list.Viol_max 0.325
_Distance_constraint_stats_list.Viol_rms 0.0092
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0485
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLY 0.110 0.032 18 0 "[ . 1 . 2]"
1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.110 0.032 18 0 "[ . 1 . 2]"
1 6 ASN 0.086 0.054 9 0 "[ . 1 . 2]"
1 7 THR 0.086 0.054 9 0 "[ . 1 . 2]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.357 0.155 5 0 "[ . 1 . 2]"
1 10 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 0.603 0.092 3 0 "[ . 1 . 2]"
1 12 SER 0.311 0.063 15 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASN 0.025 0.015 9 0 "[ . 1 . 2]"
1 15 SER 0.087 0.034 10 0 "[ . 1 . 2]"
1 16 LYS 0.822 0.103 7 0 "[ . 1 . 2]"
1 17 CYS 0.221 0.105 7 0 "[ . 1 . 2]"
1 18 GLU 1.235 0.128 13 0 "[ . 1 . 2]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 CYS 1.543 0.155 5 0 "[ . 1 . 2]"
1 26 TYR 0.037 0.037 12 0 "[ . 1 . 2]"
1 27 VAL 3.232 0.197 1 0 "[ . 1 . 2]"
1 28 ASP 0.235 0.063 15 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.621 0.102 3 0 "[ . 1 . 2]"
1 32 VAL 1.461 0.128 13 0 "[ . 1 . 2]"
1 33 TYR 0.669 0.103 7 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.507 0.073 8 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 1.027 0.136 1 0 "[ . 1 . 2]"
1 41 ARG 0.083 0.037 12 0 "[ . 1 . 2]"
1 42 PHE 4.556 0.197 1 0 "[ . 1 . 2]"
1 43 ASP 0.053 0.026 7 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 1.422 0.105 7 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.107 0.033 11 0 "[ . 1 . 2]"
1 48 THR 0.380 0.066 20 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.035 0.035 1 0 "[ . 1 . 2]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.023 0.023 6 0 "[ . 1 . 2]"
1 53 THR 0.600 0.325 13 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 2.283 0.168 10 0 "[ . 1 . 2]"
1 56 ARG 0.546 0.080 20 0 "[ . 1 . 2]"
1 57 ILE 0.417 0.152 7 0 "[ . 1 . 2]"
1 58 SER 0.150 0.076 8 0 "[ . 1 . 2]"
1 59 GLY 0.025 0.025 7 0 "[ . 1 . 2]"
1 60 PRO 0.033 0.022 17 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 1.212 0.090 18 0 "[ . 1 . 2]"
1 63 LYS 0.185 0.084 18 0 "[ . 1 . 2]"
1 64 ILE 0.133 0.033 11 0 "[ . 1 . 2]"
1 65 SER 0.445 0.066 20 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 CYS 0.147 0.039 20 0 "[ . 1 . 2]"
1 70 THR 0.623 0.325 13 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.020 0.014 19 0 "[ . 1 . 2]"
1 73 VAL 1.429 0.168 10 0 "[ . 1 . 2]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 CYS 0.111 0.039 20 0 "[ . 1 . 2]"
1 81 LYS 0.065 0.065 16 0 "[ . 1 . 2]"
1 82 ILE 0.787 0.131 17 0 "[ . 1 . 2]"
1 83 SER 0.255 0.084 18 0 "[ . 1 . 2]"
1 84 GLY 0.018 0.015 9 0 "[ . 1 . 2]"
1 85 CYS 0.465 0.086 20 0 "[ . 1 . 2]"
1 86 THR 0.157 0.076 8 0 "[ . 1 . 2]"
1 87 PHE 0.034 0.021 14 0 "[ . 1 . 2]"
1 88 SER 0.549 0.080 20 0 "[ . 1 . 2]"
1 89 ALA 0.156 0.047 10 0 "[ . 1 . 2]"
1 90 ASN 0.054 0.030 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASP H1 1 1 ASP HA 3.500 . 5.300 2.617 2.229 2.976 . 0 0 "[ . 1 . 2]" 1
2 1 1 ASP HA 1 2 GLY H 3.580 . 5.460 2.614 2.226 3.592 . 0 0 "[ . 1 . 2]" 1
3 1 1 ASP HA 1 2 GLY QA 4.350 . 7.000 4.072 3.974 4.312 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLY H 1 5 THR HA 3.180 . 4.660 4.491 4.111 4.692 0.032 18 0 "[ . 1 . 2]" 1
5 1 2 GLY QA 1 3 SER H 4.350 . 7.000 2.228 2.163 2.474 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLY QA 1 3 SER QB 3.460 . 5.220 3.767 3.328 4.156 . 0 0 "[ . 1 . 2]" 1
7 1 3 SER H 1 4 CYS H 4.350 . 7.000 3.308 2.466 4.466 . 0 0 "[ . 1 . 2]" 1
8 1 3 SER QB 1 13 ALA MB 4.100 . 6.500 4.601 3.973 4.844 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR H 1 5 THR MG 3.350 . 5.000 2.403 1.871 3.944 . 0 0 "[ . 1 . 2]" 1
10 1 5 THR H 1 6 ASN HA 4.350 . 7.000 4.639 4.296 5.267 . 0 0 "[ . 1 . 2]" 1
11 1 5 THR H 1 11 LEU H 4.350 . 7.000 6.056 4.583 6.745 . 0 0 "[ . 1 . 2]" 1
12 1 5 THR HA 1 5 THR HB 2.790 . 3.890 2.612 2.447 3.032 . 0 0 "[ . 1 . 2]" 1
13 1 5 THR HA 1 7 THR MG 3.850 . 6.000 4.040 2.862 4.975 . 0 0 "[ . 1 . 2]" 1
14 1 5 THR HA 1 11 LEU QB 4.350 . 7.000 5.883 4.820 6.278 . 0 0 "[ . 1 . 2]" 1
15 1 5 THR HA 1 21 THR MG 4.350 . 7.000 5.291 3.728 5.848 . 0 0 "[ . 1 . 2]" 1
16 1 5 THR HB 1 11 LEU QB 4.350 . 7.000 5.299 3.415 6.074 . 0 0 "[ . 1 . 2]" 1
17 1 5 THR MG 1 11 LEU QB 3.850 . 6.000 2.948 2.131 4.023 . 0 0 "[ . 1 . 2]" 1
18 1 5 THR MG 1 32 VAL QG 3.850 . 6.000 3.707 3.545 3.744 . 0 0 "[ . 1 . 2]" 1
19 1 6 ASN HA 1 6 ASN HD22 4.350 . 7.000 3.858 3.153 5.393 . 0 0 "[ . 1 . 2]" 1
20 1 6 ASN HA 1 7 THR H 2.180 . 2.660 2.422 2.212 2.714 0.054 9 0 "[ . 1 . 2]" 1
21 1 6 ASN HA 1 7 THR MG 3.850 . 6.000 4.000 3.226 5.012 . 0 0 "[ . 1 . 2]" 1
22 1 6 ASN HA 1 11 LEU QB 4.350 . 7.000 4.117 3.143 5.135 . 0 0 "[ . 1 . 2]" 1
23 1 6 ASN HA 1 11 LEU QD 4.350 . 7.000 4.551 3.987 5.153 . 0 0 "[ . 1 . 2]" 1
24 1 6 ASN HA 1 21 THR MG 4.350 . 7.000 3.629 1.893 5.587 . 0 0 "[ . 1 . 2]" 1
25 1 6 ASN QB 1 7 THR H 3.710 . 5.720 3.803 3.207 4.000 . 0 0 "[ . 1 . 2]" 1
26 1 6 ASN QB 1 11 LEU QD 4.350 . 7.000 4.261 3.427 4.642 . 0 0 "[ . 1 . 2]" 1
27 1 6 ASN HD21 1 9 SER H 4.350 . 7.000 5.025 3.640 6.229 . 0 0 "[ . 1 . 2]" 1
28 1 6 ASN HD21 1 9 SER QB 3.850 . 6.000 4.104 1.926 5.378 . 0 0 "[ . 1 . 2]" 1
29 1 6 ASN HD21 1 11 LEU H 3.700 . 5.700 2.648 1.862 3.656 . 0 0 "[ . 1 . 2]" 1
30 1 6 ASN HD21 1 11 LEU QB 3.750 . 5.800 2.736 2.043 3.490 . 0 0 "[ . 1 . 2]" 1
31 1 6 ASN HD21 1 11 LEU QD 3.850 . 6.000 3.687 2.948 4.474 . 0 0 "[ . 1 . 2]" 1
32 1 6 ASN HD22 1 11 LEU H 4.350 . 7.000 2.763 1.867 4.017 . 0 0 "[ . 1 . 2]" 1
33 1 6 ASN HD22 1 11 LEU QB 4.350 . 7.000 2.579 1.759 3.619 . 0 0 "[ . 1 . 2]" 1
34 1 6 ASN HD22 1 11 LEU QD 4.010 . 6.330 3.352 2.004 4.687 . 0 0 "[ . 1 . 2]" 1
35 1 7 THR H 1 7 THR HA 2.880 . 4.050 2.984 2.979 2.999 . 0 0 "[ . 1 . 2]" 1
36 1 7 THR H 1 7 THR HB 3.160 . 4.620 3.326 2.690 3.702 . 0 0 "[ . 1 . 2]" 1
37 1 7 THR H 1 7 THR MG 3.770 . 5.840 2.330 1.836 3.259 . 0 0 "[ . 1 . 2]" 1
38 1 7 THR H 1 9 SER QB 3.850 . 6.000 4.102 2.962 5.371 . 0 0 "[ . 1 . 2]" 1
39 1 7 THR H 1 21 THR MG 3.760 . 5.820 3.496 1.749 4.869 . 0 0 "[ . 1 . 2]" 1
40 1 7 THR HA 1 7 THR HB 2.760 . 3.820 2.495 2.388 2.779 . 0 0 "[ . 1 . 2]" 1
41 1 7 THR MG 1 8 ASN QB 4.350 . 7.000 4.122 2.417 5.170 . 0 0 "[ . 1 . 2]" 1
42 1 8 ASN HA 1 9 SER H 2.620 . 3.540 3.359 3.069 3.534 . 0 0 "[ . 1 . 2]" 1
43 1 8 ASN QB 1 24 ASN H 3.760 . 5.820 5.025 4.524 5.233 . 0 0 "[ . 1 . 2]" 1
44 1 9 SER H 1 9 SER QB 3.380 . 5.050 2.662 2.168 3.120 . 0 0 "[ . 1 . 2]" 1
45 1 9 SER H 1 10 GLN H 4.350 . 7.000 4.414 4.217 4.578 . 0 0 "[ . 1 . 2]" 1
46 1 9 SER HA 1 10 GLN H 2.630 . 3.570 2.680 2.310 2.944 . 0 0 "[ . 1 . 2]" 1
47 1 9 SER HA 1 10 GLN HA 4.350 . 7.000 4.571 4.459 4.624 . 0 0 "[ . 1 . 2]" 1
48 1 9 SER HA 1 10 GLN QB 4.350 . 7.000 3.864 3.726 4.090 . 0 0 "[ . 1 . 2]" 1
49 1 9 SER HA 1 10 GLN QG 4.350 . 7.000 5.133 3.847 5.871 . 0 0 "[ . 1 . 2]" 1
50 1 9 SER HA 1 25 CYS H 2.390 . 3.080 2.963 2.457 3.235 0.155 5 0 "[ . 1 . 2]" 1
51 1 9 SER QB 1 10 GLN H 3.390 . 5.080 2.327 1.860 3.033 . 0 0 "[ . 1 . 2]" 1
52 1 9 SER QB 1 24 ASN H 4.100 . 6.500 3.710 2.385 5.753 . 0 0 "[ . 1 . 2]" 1
53 1 9 SER QB 1 25 CYS H 3.040 . 4.370 2.440 1.713 3.729 . 0 0 "[ . 1 . 2]" 1
54 1 10 GLN H 1 10 GLN QB 3.180 . 4.660 2.466 2.153 2.623 . 0 0 "[ . 1 . 2]" 1
55 1 10 GLN H 1 10 GLN QG 3.590 . 5.480 3.953 3.426 4.153 . 0 0 "[ . 1 . 2]" 1
56 1 10 GLN H 1 11 LEU H 3.670 . 5.640 4.072 3.820 4.593 . 0 0 "[ . 1 . 2]" 1
57 1 10 GLN H 1 25 CYS H 2.960 . 4.210 3.438 2.670 3.927 . 0 0 "[ . 1 . 2]" 1
58 1 10 GLN H 1 26 TYR HA 2.820 . 3.940 2.982 1.950 3.706 . 0 0 "[ . 1 . 2]" 1
59 1 10 GLN H 1 27 VAL H 3.370 . 5.040 3.928 3.126 4.633 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLN HA 1 10 GLN QG 3.350 . 5.000 2.134 1.901 2.466 . 0 0 "[ . 1 . 2]" 1
61 1 10 GLN HA 1 11 LEU H 2.480 . 3.270 2.248 2.204 2.360 . 0 0 "[ . 1 . 2]" 1
62 1 10 GLN HA 1 11 LEU QB 4.350 . 7.000 4.107 3.962 4.254 . 0 0 "[ . 1 . 2]" 1
63 1 10 GLN HA 1 12 SER H 4.350 . 7.000 3.738 3.299 6.176 . 0 0 "[ . 1 . 2]" 1
64 1 10 GLN QB 1 11 LEU H 3.500 . 5.290 3.808 3.497 4.017 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLN QB 1 26 TYR HA 3.460 . 5.220 2.224 1.753 3.067 . 0 0 "[ . 1 . 2]" 1
66 1 10 GLN QB 1 26 TYR QB 3.850 . 6.000 3.523 2.438 4.628 . 0 0 "[ . 1 . 2]" 1
67 1 10 GLN QB 1 27 VAL H 3.370 . 5.040 3.060 2.324 4.073 . 0 0 "[ . 1 . 2]" 1
68 1 10 GLN QG 1 11 LEU H 4.020 . 6.350 3.450 2.022 4.031 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLN QG 1 26 TYR HA 3.850 . 6.000 4.144 2.679 5.191 . 0 0 "[ . 1 . 2]" 1
70 1 11 LEU H 1 11 LEU HA 2.730 . 3.770 2.970 2.952 3.001 . 0 0 "[ . 1 . 2]" 1
71 1 11 LEU H 1 11 LEU QB 2.920 . 4.140 2.254 2.192 2.357 . 0 0 "[ . 1 . 2]" 1
72 1 11 LEU H 1 11 LEU QD 3.850 . 6.000 3.658 3.499 3.784 . 0 0 "[ . 1 . 2]" 1
73 1 11 LEU H 1 11 LEU HG 3.540 . 5.380 4.440 4.378 4.530 . 0 0 "[ . 1 . 2]" 1
74 1 11 LEU H 1 12 SER H 3.620 . 5.540 2.935 2.486 4.599 . 0 0 "[ . 1 . 2]" 1
75 1 11 LEU H 1 27 VAL HB 4.350 . 7.000 4.809 4.470 5.525 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU HA 1 11 LEU QD 3.880 . 6.060 2.147 1.761 2.568 . 0 0 "[ . 1 . 2]" 1
77 1 11 LEU HA 1 12 SER H 2.480 . 3.270 2.978 2.283 3.133 . 0 0 "[ . 1 . 2]" 1
78 1 11 LEU QB 1 12 SER H 3.790 . 5.880 3.717 3.575 3.955 . 0 0 "[ . 1 . 2]" 1
79 1 11 LEU QB 1 15 SER H 3.600 . 5.500 4.401 3.588 4.996 . 0 0 "[ . 1 . 2]" 1
80 1 11 LEU QB 1 27 VAL HB 4.350 . 7.000 4.244 3.915 4.741 . 0 0 "[ . 1 . 2]" 1
81 1 11 LEU QD 1 12 SER H 3.950 . 6.200 4.283 3.441 4.516 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU QD 1 15 SER H 4.170 . 6.650 3.581 2.793 4.336 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU QD 1 15 SER HA 3.850 . 6.000 4.436 4.293 4.521 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU QD 1 15 SER QB 3.530 . 5.360 2.681 2.105 3.230 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU QD 1 16 LYS H 4.350 . 7.000 2.964 2.516 3.343 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU QD 1 17 CYS H 3.390 . 5.080 3.354 2.735 3.804 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU QD 1 17 CYS QB 4.350 . 7.000 2.751 1.735 4.053 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU QD 1 27 VAL H 4.060 . 6.430 4.298 3.895 4.668 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU QD 1 27 VAL HB 3.080 . 4.460 3.012 2.188 3.322 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU QD 1 27 VAL QG 3.850 . 6.000 2.185 1.736 2.552 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU HG 1 12 SER H 3.620 . 5.540 4.542 2.572 5.182 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU HG 1 13 ALA HA 4.350 . 7.000 5.720 4.608 6.532 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU HG 1 16 LYS H 2.780 . 3.860 3.877 3.680 3.952 0.092 3 0 "[ . 1 . 2]" 1
94 1 11 LEU HG 1 27 VAL QG 4.350 . 7.000 3.441 2.889 4.247 . 0 0 "[ . 1 . 2]" 1
95 1 12 SER H 1 12 SER HA 2.730 . 3.770 2.386 2.356 2.819 . 0 0 "[ . 1 . 2]" 1
96 1 12 SER H 1 12 SER QB 2.560 . 3.430 2.870 2.030 2.976 . 0 0 "[ . 1 . 2]" 1
97 1 12 SER H 1 13 ALA H 4.350 . 7.000 3.140 2.683 4.659 . 0 0 "[ . 1 . 2]" 1
98 1 12 SER H 1 15 SER H 3.700 . 5.700 5.520 4.464 5.718 0.018 6 0 "[ . 1 . 2]" 1
99 1 12 SER H 1 15 SER QB 3.970 . 6.240 4.961 2.900 5.565 . 0 0 "[ . 1 . 2]" 1
100 1 12 SER H 1 27 VAL H 3.370 . 5.040 3.390 2.782 4.048 . 0 0 "[ . 1 . 2]" 1
101 1 12 SER H 1 27 VAL HB 2.890 . 4.080 3.324 1.899 3.687 . 0 0 "[ . 1 . 2]" 1
102 1 12 SER H 1 27 VAL QG 4.350 . 7.000 3.912 2.927 4.231 . 0 0 "[ . 1 . 2]" 1
103 1 12 SER H 1 28 ASP HA 3.200 . 4.700 4.548 3.877 4.763 0.063 15 0 "[ . 1 . 2]" 1
104 1 12 SER HA 1 13 ALA H 3.350 . 5.000 2.928 2.245 3.346 . 0 0 "[ . 1 . 2]" 1
105 1 12 SER HA 1 13 ALA MB 3.850 . 6.000 3.803 3.650 3.975 . 0 0 "[ . 1 . 2]" 1
106 1 12 SER HA 1 14 ASN HD21 4.350 . 7.000 6.351 3.884 7.015 0.015 9 0 "[ . 1 . 2]" 1
107 1 12 SER HA 1 15 SER H 3.850 . 6.000 5.246 4.493 5.760 . 0 0 "[ . 1 . 2]" 1
108 1 12 SER QB 1 13 ALA H 4.350 . 7.000 3.689 3.382 4.041 . 0 0 "[ . 1 . 2]" 1
109 1 12 SER QB 1 14 ASN H 4.350 . 7.000 3.149 2.528 3.980 . 0 0 "[ . 1 . 2]" 1
110 1 12 SER QB 1 27 VAL QG 3.000 . 4.290 2.841 2.544 2.895 . 0 0 "[ . 1 . 2]" 1
111 1 12 SER QB 1 28 ASP H 2.730 . 3.770 3.257 2.981 3.451 . 0 0 "[ . 1 . 2]" 1
112 1 12 SER QB 1 28 ASP HA 2.690 . 3.690 1.910 1.724 2.324 . 0 0 "[ . 1 . 2]" 1
113 1 12 SER QB 1 29 LYS H 3.720 . 5.740 2.231 1.772 2.636 . 0 0 "[ . 1 . 2]" 1
114 1 12 SER QB 1 30 SER H 2.760 . 3.820 3.161 2.471 3.429 . 0 0 "[ . 1 . 2]" 1
115 1 13 ALA H 1 14 ASN H 4.350 . 7.000 2.869 2.722 3.022 . 0 0 "[ . 1 . 2]" 1
116 1 13 ALA HA 1 14 ASN H 4.350 . 7.000 3.211 3.024 3.533 . 0 0 "[ . 1 . 2]" 1
117 1 13 ALA HA 1 15 SER H 3.420 . 5.140 4.071 3.507 4.688 . 0 0 "[ . 1 . 2]" 1
118 1 13 ALA MB 1 14 ASN H 4.350 . 7.000 3.333 2.780 3.591 . 0 0 "[ . 1 . 2]" 1
119 1 13 ALA MB 1 14 ASN QB 4.350 . 7.000 3.593 3.296 4.207 . 0 0 "[ . 1 . 2]" 1
120 1 13 ALA MB 1 15 SER H 4.100 . 6.500 4.756 4.228 5.030 . 0 0 "[ . 1 . 2]" 1
121 1 14 ASN H 1 15 SER HA 4.350 . 7.000 4.583 4.299 5.123 . 0 0 "[ . 1 . 2]" 1
122 1 14 ASN HA 1 15 SER H 2.790 . 3.880 3.195 3.004 3.349 . 0 0 "[ . 1 . 2]" 1
123 1 14 ASN QB 1 15 SER H 3.810 . 5.920 3.664 3.404 4.024 . 0 0 "[ . 1 . 2]" 1
124 1 14 ASN HD21 1 28 ASP HA 4.350 . 7.000 6.195 4.713 6.925 . 0 0 "[ . 1 . 2]" 1
125 1 14 ASN HD21 1 29 LYS H 4.350 . 7.000 4.357 3.438 5.266 . 0 0 "[ . 1 . 2]" 1
126 1 14 ASN HD21 1 29 LYS HA 4.350 . 7.000 3.636 2.081 5.025 . 0 0 "[ . 1 . 2]" 1
127 1 14 ASN HD21 1 29 LYS QB 4.350 . 7.000 4.275 3.207 6.135 . 0 0 "[ . 1 . 2]" 1
128 1 14 ASN HD21 1 29 LYS QE 4.350 . 7.000 4.301 1.899 5.974 . 0 0 "[ . 1 . 2]" 1
129 1 14 ASN HD21 1 29 LYS QG 4.350 . 7.000 3.522 2.178 5.197 . 0 0 "[ . 1 . 2]" 1
130 1 14 ASN HD22 1 29 LYS H 4.350 . 7.000 5.162 1.920 6.691 . 0 0 "[ . 1 . 2]" 1
131 1 14 ASN HD22 1 29 LYS HA 4.350 . 7.000 4.366 2.430 5.941 . 0 0 "[ . 1 . 2]" 1
132 1 14 ASN HD22 1 29 LYS QB 4.350 . 7.000 4.850 3.401 6.057 . 0 0 "[ . 1 . 2]" 1
133 1 14 ASN HD22 1 29 LYS QE 4.350 . 7.000 4.368 2.531 6.213 . 0 0 "[ . 1 . 2]" 1
134 1 14 ASN HD22 1 29 LYS QG 4.350 . 7.000 3.922 1.966 5.990 . 0 0 "[ . 1 . 2]" 1
135 1 15 SER H 1 15 SER HA 2.870 . 4.040 2.984 2.968 3.000 . 0 0 "[ . 1 . 2]" 1
136 1 15 SER H 1 15 SER QB 2.810 . 3.930 2.437 2.171 2.712 . 0 0 "[ . 1 . 2]" 1
137 1 15 SER H 1 16 LYS H 3.610 . 5.520 4.206 4.017 4.390 . 0 0 "[ . 1 . 2]" 1
138 1 15 SER H 1 29 LYS H 3.710 . 5.720 5.063 4.315 5.544 . 0 0 "[ . 1 . 2]" 1
139 1 15 SER H 1 30 SER H 4.350 . 7.000 4.285 3.961 4.579 . 0 0 "[ . 1 . 2]" 1
140 1 15 SER HA 1 16 LYS H 2.400 . 3.100 2.978 2.798 3.134 0.034 10 0 "[ . 1 . 2]" 1
141 1 15 SER HA 1 16 LYS HA 3.350 . 5.000 4.501 4.453 4.540 . 0 0 "[ . 1 . 2]" 1
142 1 15 SER HA 1 27 VAL QG 4.350 . 7.000 4.859 4.537 5.058 . 0 0 "[ . 1 . 2]" 1
143 1 15 SER HA 1 29 LYS HA 3.330 . 4.960 3.942 3.343 4.314 . 0 0 "[ . 1 . 2]" 1
144 1 15 SER HA 1 30 SER H 2.710 . 3.720 2.848 2.259 3.109 . 0 0 "[ . 1 . 2]" 1
145 1 15 SER QB 1 16 LYS H 2.700 . 3.700 2.231 1.866 2.734 . 0 0 "[ . 1 . 2]" 1
146 1 15 SER QB 1 27 VAL QG 3.520 . 5.340 2.881 2.584 3.121 . 0 0 "[ . 1 . 2]" 1
147 1 15 SER QB 1 28 ASP HA 4.350 . 7.000 5.201 4.492 6.007 . 0 0 "[ . 1 . 2]" 1
148 1 15 SER QB 1 29 LYS H 4.350 . 7.000 4.329 3.421 5.138 . 0 0 "[ . 1 . 2]" 1
149 1 15 SER QB 1 30 SER H 3.810 . 5.920 2.252 1.841 2.602 . 0 0 "[ . 1 . 2]" 1
150 1 15 SER QB 1 30 SER QB 2.310 . 2.930 2.378 2.346 2.417 . 0 0 "[ . 1 . 2]" 1
151 1 16 LYS H 1 16 LYS HA 2.670 . 3.630 3.000 2.993 3.007 . 0 0 "[ . 1 . 2]" 1
152 1 16 LYS H 1 16 LYS QB 3.290 . 4.880 2.325 2.222 2.421 . 0 0 "[ . 1 . 2]" 1
153 1 16 LYS H 1 16 LYS QD 3.810 . 5.910 4.362 3.872 4.691 . 0 0 "[ . 1 . 2]" 1
154 1 16 LYS H 1 16 LYS QG 3.600 . 5.500 3.921 3.279 4.147 . 0 0 "[ . 1 . 2]" 1
155 1 16 LYS H 1 30 SER H 3.300 . 4.900 4.546 4.199 4.894 . 0 0 "[ . 1 . 2]" 1
156 1 16 LYS H 1 31 GLU HA 2.490 . 3.280 2.294 2.071 2.473 . 0 0 "[ . 1 . 2]" 1
157 1 16 LYS H 1 31 GLU QB 3.350 . 5.000 4.429 4.224 4.530 . 0 0 "[ . 1 . 2]" 1
158 1 16 LYS H 1 31 GLU QG 3.600 . 5.500 3.790 3.309 4.201 . 0 0 "[ . 1 . 2]" 1
159 1 16 LYS H 1 32 VAL H 3.240 . 4.780 2.376 1.952 2.674 . 0 0 "[ . 1 . 2]" 1
160 1 16 LYS H 1 32 VAL QG 4.350 . 7.000 3.418 2.845 3.774 . 0 0 "[ . 1 . 2]" 1
161 1 16 LYS H 1 33 TYR H 4.350 . 7.000 6.859 6.353 7.103 0.103 7 0 "[ . 1 . 2]" 1
162 1 16 LYS HA 1 16 LYS QD 3.630 . 5.560 2.893 1.845 3.966 . 0 0 "[ . 1 . 2]" 1
163 1 16 LYS HA 1 17 CYS H 2.080 . 2.470 2.253 2.191 2.412 . 0 0 "[ . 1 . 2]" 1
164 1 16 LYS QB 1 16 LYS QD 3.080 . 4.460 2.122 1.915 2.308 . 0 0 "[ . 1 . 2]" 1
165 1 16 LYS QB 1 18 GLU HA 4.350 . 7.000 5.383 4.583 6.206 . 0 0 "[ . 1 . 2]" 1
166 1 16 LYS QB 1 31 GLU HA 4.350 . 7.000 1.930 1.757 2.510 . 0 0 "[ . 1 . 2]" 1
167 1 16 LYS QB 1 31 GLU QG 4.100 . 6.500 2.251 1.774 3.563 . 0 0 "[ . 1 . 2]" 1
168 1 16 LYS QB 1 32 VAL H 3.920 . 6.140 2.018 1.805 2.451 . 0 0 "[ . 1 . 2]" 1
169 1 16 LYS QB 1 32 VAL QG 4.350 . 7.000 3.400 2.161 3.931 . 0 0 "[ . 1 . 2]" 1
170 1 16 LYS QD 1 17 CYS H 3.830 . 5.950 4.006 2.842 5.206 . 0 0 "[ . 1 . 2]" 1
171 1 16 LYS QD 1 31 GLU HA 3.850 . 6.000 3.986 3.360 4.717 . 0 0 "[ . 1 . 2]" 1
172 1 16 LYS QD 1 31 GLU QG 4.100 . 6.500 2.946 1.779 4.807 . 0 0 "[ . 1 . 2]" 1
173 1 16 LYS QG 1 17 CYS H 4.350 . 7.000 3.174 2.172 4.483 . 0 0 "[ . 1 . 2]" 1
174 1 17 CYS H 1 17 CYS HA 2.860 . 4.020 2.937 2.821 3.003 . 0 0 "[ . 1 . 2]" 1
175 1 17 CYS HA 1 18 GLU H 2.600 . 3.500 2.532 2.276 2.782 . 0 0 "[ . 1 . 2]" 1
176 1 17 CYS HA 1 18 GLU QB 3.790 . 5.870 4.473 4.247 4.653 . 0 0 "[ . 1 . 2]" 1
177 1 17 CYS HA 1 32 VAL H 3.580 . 5.460 5.205 4.524 5.565 0.105 7 0 "[ . 1 . 2]" 1
178 1 17 CYS HA 1 32 VAL QG 4.350 . 7.000 4.070 2.876 5.164 . 0 0 "[ . 1 . 2]" 1
179 1 18 GLU H 1 18 GLU HA 2.670 . 3.650 2.964 2.937 3.001 . 0 0 "[ . 1 . 2]" 1
180 1 18 GLU H 1 18 GLU QB 3.250 . 4.800 2.184 1.981 2.437 . 0 0 "[ . 1 . 2]" 1
181 1 18 GLU H 1 18 GLU QG 3.790 . 5.880 3.264 2.199 4.054 . 0 0 "[ . 1 . 2]" 1
182 1 18 GLU H 1 32 VAL H 3.080 . 4.460 4.520 4.428 4.588 0.128 13 0 "[ . 1 . 2]" 1
183 1 18 GLU H 1 33 TYR HA 3.560 . 5.410 3.908 3.044 4.833 . 0 0 "[ . 1 . 2]" 1
184 1 18 GLU QB 1 33 TYR HA 4.350 . 7.000 2.039 1.702 2.802 . 0 0 "[ . 1 . 2]" 1
185 1 21 THR MG 1 24 ASN H 3.690 . 5.680 4.290 3.381 4.788 . 0 0 "[ . 1 . 2]" 1
186 1 24 ASN H 1 24 ASN HA 2.800 . 3.900 2.959 2.945 2.991 . 0 0 "[ . 1 . 2]" 1
187 1 24 ASN HA 1 24 ASN HD21 4.350 . 7.000 3.732 2.406 4.421 . 0 0 "[ . 1 . 2]" 1
188 1 24 ASN HA 1 25 CYS H 3.440 . 5.170 2.514 2.211 2.832 . 0 0 "[ . 1 . 2]" 1
189 1 24 ASN QB 1 39 GLY H 3.410 . 5.120 3.473 1.917 4.475 . 0 0 "[ . 1 . 2]" 1
190 1 24 ASN QB 1 39 GLY QA 2.960 . 4.220 2.657 1.842 3.368 . 0 0 "[ . 1 . 2]" 1
191 1 25 CYS H 1 25 CYS QB 2.830 . 3.970 2.711 2.602 3.191 . 0 0 "[ . 1 . 2]" 1
192 1 25 CYS HA 1 26 TYR H 2.460 . 3.210 2.237 2.174 2.971 . 0 0 "[ . 1 . 2]" 1
193 1 25 CYS HA 1 40 SER H 2.790 . 3.870 3.630 3.309 3.881 0.011 7 0 "[ . 1 . 2]" 1
194 1 25 CYS HA 1 42 PHE H 3.040 . 4.370 4.427 4.344 4.482 0.112 7 0 "[ . 1 . 2]" 1
195 1 25 CYS QB 1 26 TYR H 2.830 . 3.950 3.559 3.388 3.701 . 0 0 "[ . 1 . 2]" 1
196 1 25 CYS QB 1 27 VAL H 3.690 . 5.670 4.346 3.964 5.055 . 0 0 "[ . 1 . 2]" 1
197 1 25 CYS QB 1 27 VAL QG 3.500 . 5.300 2.794 2.408 3.291 . 0 0 "[ . 1 . 2]" 1
198 1 26 TYR H 1 26 TYR HA 2.790 . 3.880 2.980 2.776 3.004 . 0 0 "[ . 1 . 2]" 1
199 1 26 TYR H 1 26 TYR QB 3.370 . 5.040 2.285 1.952 2.556 . 0 0 "[ . 1 . 2]" 1
200 1 26 TYR H 1 27 VAL H 3.390 . 5.080 4.122 3.713 4.538 . 0 0 "[ . 1 . 2]" 1
201 1 26 TYR H 1 27 VAL QG 3.850 . 6.000 3.673 3.281 4.247 . 0 0 "[ . 1 . 2]" 1
202 1 26 TYR H 1 40 SER H 4.350 . 7.000 5.239 4.833 5.703 . 0 0 "[ . 1 . 2]" 1
203 1 26 TYR H 1 41 ARG HA 2.540 . 3.390 2.584 2.126 3.427 0.037 12 0 "[ . 1 . 2]" 1
204 1 26 TYR H 1 42 PHE H 3.250 . 4.800 3.400 3.011 4.430 . 0 0 "[ . 1 . 2]" 1
205 1 26 TYR HA 1 27 VAL H 3.290 . 4.880 2.290 2.216 2.369 . 0 0 "[ . 1 . 2]" 1
206 1 26 TYR QB 1 27 VAL H 4.000 . 6.290 3.808 3.461 4.054 . 0 0 "[ . 1 . 2]" 1
207 1 26 TYR QB 1 41 ARG HA 3.850 . 6.000 3.581 2.908 4.149 . 0 0 "[ . 1 . 2]" 1
208 1 26 TYR QB 1 41 ARG QG 3.850 . 6.000 3.685 1.896 4.202 . 0 0 "[ . 1 . 2]" 1
209 1 26 TYR QB 1 42 PHE H 3.970 . 6.240 3.955 3.523 4.460 . 0 0 "[ . 1 . 2]" 1
210 1 27 VAL H 1 27 VAL HA 2.650 . 3.600 2.978 2.958 3.003 . 0 0 "[ . 1 . 2]" 1
211 1 27 VAL H 1 27 VAL HB 2.430 . 3.160 2.570 2.497 2.712 . 0 0 "[ . 1 . 2]" 1
212 1 27 VAL H 1 27 VAL QG 3.660 . 5.620 2.239 2.117 2.609 . 0 0 "[ . 1 . 2]" 1
213 1 27 VAL H 1 28 ASP H 3.350 . 5.000 4.586 4.520 4.615 . 0 0 "[ . 1 . 2]" 1
214 1 27 VAL HA 1 27 VAL QG 3.000 . 4.290 2.041 2.010 2.087 . 0 0 "[ . 1 . 2]" 1
215 1 27 VAL HA 1 28 ASP H 2.460 . 3.230 2.429 2.380 2.479 . 0 0 "[ . 1 . 2]" 1
216 1 27 VAL HA 1 28 ASP QB 4.350 . 7.000 3.797 3.714 4.003 . 0 0 "[ . 1 . 2]" 1
217 1 27 VAL HA 1 30 SER H 4.350 . 7.000 6.283 6.142 6.399 . 0 0 "[ . 1 . 2]" 1
218 1 27 VAL HA 1 41 ARG QD 2.620 . 3.540 3.253 3.203 3.290 . 0 0 "[ . 1 . 2]" 1
219 1 27 VAL HA 1 42 PHE H 2.900 . 4.090 2.770 2.597 2.918 . 0 0 "[ . 1 . 2]" 1
220 1 27 VAL HA 1 42 PHE QB 3.730 . 5.760 2.072 1.796 2.268 . 0 0 "[ . 1 . 2]" 1
221 1 27 VAL QG 1 28 ASP H 3.430 . 5.160 1.825 1.788 1.855 . 0 0 "[ . 1 . 2]" 1
222 1 27 VAL QG 1 28 ASP HA 3.670 . 5.640 3.856 3.706 3.980 . 0 0 "[ . 1 . 2]" 1
223 1 27 VAL QG 1 30 SER H 3.460 . 5.220 3.173 2.985 3.337 . 0 0 "[ . 1 . 2]" 1
224 1 27 VAL QG 1 30 SER HA 4.350 . 7.000 3.968 3.848 4.152 . 0 0 "[ . 1 . 2]" 1
225 1 27 VAL QG 1 30 SER QB 2.420 . 3.150 1.802 1.703 1.962 . 0 0 "[ . 1 . 2]" 1
226 1 27 VAL QG 1 31 GLU H 4.350 . 7.000 4.082 3.914 4.242 . 0 0 "[ . 1 . 2]" 1
227 1 27 VAL QG 1 32 VAL QG 3.290 . 4.880 2.539 2.354 2.728 . 0 0 "[ . 1 . 2]" 1
228 1 27 VAL QG 1 41 ARG HA 4.350 . 7.000 4.066 3.878 4.292 . 0 0 "[ . 1 . 2]" 1
229 1 27 VAL QG 1 42 PHE H 3.930 . 6.160 2.750 2.570 2.992 . 0 0 "[ . 1 . 2]" 1
230 1 27 VAL QG 1 42 PHE HA 4.350 . 7.000 3.616 3.535 3.686 . 0 0 "[ . 1 . 2]" 1
231 1 27 VAL QG 1 42 PHE QB 3.850 . 6.000 1.538 1.503 1.560 0.197 1 0 "[ . 1 . 2]" 1
232 1 27 VAL QG 1 42 PHE QD 2.540 . 3.380 2.284 2.249 2.314 . 0 0 "[ . 1 . 2]" 1
233 1 27 VAL QG 1 45 VAL H 4.350 . 7.000 3.902 3.538 4.131 . 0 0 "[ . 1 . 2]" 1
234 1 27 VAL QG 1 45 VAL HB 4.350 . 7.000 3.620 3.273 3.974 . 0 0 "[ . 1 . 2]" 1
235 1 28 ASP H 1 28 ASP HA 2.810 . 3.920 2.976 2.964 2.993 . 0 0 "[ . 1 . 2]" 1
236 1 28 ASP H 1 28 ASP QB 2.840 . 3.980 2.589 2.493 2.672 . 0 0 "[ . 1 . 2]" 1
237 1 28 ASP H 1 29 LYS H 4.350 . 7.000 4.108 3.955 4.200 . 0 0 "[ . 1 . 2]" 1
238 1 28 ASP H 1 42 PHE H 3.470 . 5.240 4.974 4.665 5.204 . 0 0 "[ . 1 . 2]" 1
239 1 28 ASP H 1 42 PHE QB 3.610 . 5.520 3.142 2.903 3.383 . 0 0 "[ . 1 . 2]" 1
240 1 28 ASP H 1 43 ASP HA 3.090 . 4.480 2.320 1.884 3.024 . 0 0 "[ . 1 . 2]" 1
241 1 28 ASP H 1 44 GLY H 3.420 . 5.140 2.957 2.429 3.354 . 0 0 "[ . 1 . 2]" 1
242 1 28 ASP HA 1 29 LYS H 2.750 . 3.800 2.236 2.216 2.257 . 0 0 "[ . 1 . 2]" 1
243 1 28 ASP QB 1 29 LYS H 3.980 . 6.250 3.755 3.428 3.990 . 0 0 "[ . 1 . 2]" 1
244 1 28 ASP QB 1 43 ASP HA 3.080 . 4.460 2.073 1.863 2.323 . 0 0 "[ . 1 . 2]" 1
245 1 29 LYS H 1 29 LYS HA 2.650 . 3.590 2.377 2.368 2.384 . 0 0 "[ . 1 . 2]" 1
246 1 29 LYS H 1 29 LYS QG 3.940 . 6.170 3.561 2.045 4.304 . 0 0 "[ . 1 . 2]" 1
247 1 29 LYS H 1 30 SER H 3.220 . 4.740 3.216 3.063 3.356 . 0 0 "[ . 1 . 2]" 1
248 1 29 LYS HA 1 29 LYS QG 2.990 . 4.280 2.289 1.963 3.030 . 0 0 "[ . 1 . 2]" 1
249 1 29 LYS HA 1 30 SER H 2.590 . 3.480 2.589 2.531 2.695 . 0 0 "[ . 1 . 2]" 1
250 1 29 LYS QB 1 44 GLY H 3.410 . 5.120 3.287 2.839 3.873 . 0 0 "[ . 1 . 2]" 1
251 1 29 LYS QB 1 44 GLY QA 2.710 . 3.730 2.714 2.254 2.961 . 0 0 "[ . 1 . 2]" 1
252 1 29 LYS QE 1 29 LYS QG 3.290 . 4.880 2.137 1.965 2.455 . 0 0 "[ . 1 . 2]" 1
253 1 29 LYS QG 1 44 GLY H 4.100 . 6.500 5.012 3.950 5.735 . 0 0 "[ . 1 . 2]" 1
254 1 29 LYS QG 1 45 VAL H 4.350 . 7.000 5.629 4.818 6.276 . 0 0 "[ . 1 . 2]" 1
255 1 30 SER H 1 30 SER HA 2.980 . 4.260 3.003 3.000 3.007 . 0 0 "[ . 1 . 2]" 1
256 1 30 SER H 1 30 SER QB 2.640 . 3.580 2.702 2.525 2.762 . 0 0 "[ . 1 . 2]" 1
257 1 30 SER H 1 31 GLU H 3.120 . 4.540 4.396 4.329 4.474 . 0 0 "[ . 1 . 2]" 1
258 1 30 SER H 1 44 GLY H 3.730 . 5.760 4.675 4.477 4.952 . 0 0 "[ . 1 . 2]" 1
259 1 30 SER HA 1 31 GLU H 2.440 . 3.180 2.643 2.524 2.760 . 0 0 "[ . 1 . 2]" 1
260 1 30 SER HA 1 32 VAL QG 4.350 . 7.000 4.890 4.668 5.037 . 0 0 "[ . 1 . 2]" 1
261 1 30 SER HA 1 44 GLY H 4.350 . 7.000 4.230 3.896 4.496 . 0 0 "[ . 1 . 2]" 1
262 1 30 SER HA 1 45 VAL H 2.880 . 4.050 2.194 2.002 2.342 . 0 0 "[ . 1 . 2]" 1
263 1 30 SER HA 1 45 VAL QG 4.350 . 7.000 4.209 3.915 4.418 . 0 0 "[ . 1 . 2]" 1
264 1 30 SER HA 1 46 THR HA 4.350 . 7.000 3.926 3.647 4.228 . 0 0 "[ . 1 . 2]" 1
265 1 30 SER QB 1 31 GLU H 2.480 . 3.260 2.182 2.011 2.341 . 0 0 "[ . 1 . 2]" 1
266 1 30 SER QB 1 32 VAL QG 2.930 . 4.160 2.794 2.758 2.815 . 0 0 "[ . 1 . 2]" 1
267 1 30 SER QB 1 44 GLY H 3.850 . 6.000 4.150 3.664 4.505 . 0 0 "[ . 1 . 2]" 1
268 1 30 SER QB 1 45 VAL H 2.930 . 4.160 2.504 2.221 2.765 . 0 0 "[ . 1 . 2]" 1
269 1 30 SER QB 1 45 VAL HA 3.400 . 5.100 4.428 4.202 4.553 . 0 0 "[ . 1 . 2]" 1
270 1 30 SER QB 1 45 VAL HB 2.540 . 3.390 2.771 2.397 2.994 . 0 0 "[ . 1 . 2]" 1
271 1 30 SER QB 1 45 VAL QG 4.350 . 7.000 3.047 2.571 3.325 . 0 0 "[ . 1 . 2]" 1
272 1 30 SER QB 1 47 ILE MD 4.350 . 7.000 4.995 4.756 5.162 . 0 0 "[ . 1 . 2]" 1
273 1 30 SER QB 1 47 ILE QG 4.350 . 7.000 3.956 3.831 4.141 . 0 0 "[ . 1 . 2]" 1
274 1 31 GLU H 1 31 GLU HA 2.820 . 3.940 2.977 2.969 2.986 . 0 0 "[ . 1 . 2]" 1
275 1 31 GLU H 1 31 GLU QB 3.580 . 5.460 2.592 2.534 2.743 . 0 0 "[ . 1 . 2]" 1
276 1 31 GLU H 1 31 GLU QG 3.270 . 4.830 3.899 2.808 4.222 . 0 0 "[ . 1 . 2]" 1
277 1 31 GLU H 1 32 VAL H 3.100 . 4.500 3.836 3.759 3.969 . 0 0 "[ . 1 . 2]" 1
278 1 31 GLU H 1 32 VAL QG 3.630 . 5.560 3.229 3.048 3.448 . 0 0 "[ . 1 . 2]" 1
279 1 31 GLU H 1 45 VAL H 3.460 . 5.210 3.864 3.653 4.073 . 0 0 "[ . 1 . 2]" 1
280 1 31 GLU H 1 45 VAL HB 3.060 . 4.420 4.434 4.161 4.522 0.102 3 0 "[ . 1 . 2]" 1
281 1 31 GLU H 1 46 THR HA 2.500 . 3.290 2.411 1.904 2.772 . 0 0 "[ . 1 . 2]" 1
282 1 31 GLU H 1 46 THR MG 3.640 . 5.580 4.167 3.880 4.614 . 0 0 "[ . 1 . 2]" 1
283 1 31 GLU HA 1 31 GLU QG 3.290 . 4.880 2.195 1.924 2.475 . 0 0 "[ . 1 . 2]" 1
284 1 31 GLU HA 1 32 VAL H 2.270 . 2.850 2.280 2.235 2.317 . 0 0 "[ . 1 . 2]" 1
285 1 31 GLU HA 1 32 VAL QG 3.360 . 5.020 3.585 3.230 3.756 . 0 0 "[ . 1 . 2]" 1
286 1 31 GLU QB 1 32 VAL H 3.720 . 5.740 3.902 3.715 4.053 . 0 0 "[ . 1 . 2]" 1
287 1 31 GLU QB 1 46 THR HA 3.780 . 5.860 1.959 1.789 2.498 . 0 0 "[ . 1 . 2]" 1
288 1 31 GLU QB 1 46 THR MG 3.690 . 5.670 2.113 1.806 2.520 . 0 0 "[ . 1 . 2]" 1
289 1 31 GLU QB 1 47 ILE H 3.020 . 4.330 3.187 2.818 3.587 . 0 0 "[ . 1 . 2]" 1
290 1 31 GLU QG 1 32 VAL H 4.350 . 7.000 3.730 3.100 4.470 . 0 0 "[ . 1 . 2]" 1
291 1 31 GLU QG 1 46 THR HA 4.350 . 7.000 3.923 2.819 4.684 . 0 0 "[ . 1 . 2]" 1
292 1 31 GLU QG 1 46 THR MG 3.770 . 5.840 3.165 2.606 4.036 . 0 0 "[ . 1 . 2]" 1
293 1 32 VAL H 1 32 VAL HA 2.870 . 4.040 2.987 2.974 2.999 . 0 0 "[ . 1 . 2]" 1
294 1 32 VAL H 1 32 VAL QG 3.270 . 4.840 2.254 1.782 2.514 . 0 0 "[ . 1 . 2]" 1
295 1 32 VAL H 1 33 TYR H 4.350 . 7.000 4.538 4.443 4.602 . 0 0 "[ . 1 . 2]" 1
296 1 32 VAL H 1 47 ILE QG 4.100 . 6.500 4.252 3.998 4.480 . 0 0 "[ . 1 . 2]" 1
297 1 32 VAL HA 1 32 VAL HB 2.790 . 3.880 2.846 2.361 3.037 . 0 0 "[ . 1 . 2]" 1
298 1 32 VAL HA 1 32 VAL QG 2.790 . 3.870 2.213 2.067 2.503 . 0 0 "[ . 1 . 2]" 1
299 1 32 VAL HA 1 33 TYR H 2.260 . 2.820 2.261 2.170 2.381 . 0 0 "[ . 1 . 2]" 1
300 1 32 VAL HA 1 47 ILE H 2.940 . 4.170 3.490 2.987 3.862 . 0 0 "[ . 1 . 2]" 1
301 1 32 VAL HA 1 47 ILE QG 2.870 . 4.040 2.068 1.843 2.358 . 0 0 "[ . 1 . 2]" 1
302 1 32 VAL HB 1 33 TYR H 4.350 . 7.000 3.791 2.602 4.328 . 0 0 "[ . 1 . 2]" 1
303 1 32 VAL HB 1 47 ILE QG 4.350 . 7.000 4.235 3.140 4.957 . 0 0 "[ . 1 . 2]" 1
304 1 32 VAL QG 1 33 TYR H 3.520 . 5.340 2.621 1.962 3.573 . 0 0 "[ . 1 . 2]" 1
305 1 32 VAL QG 1 35 THR H 3.320 . 4.940 3.021 2.519 3.664 . 0 0 "[ . 1 . 2]" 1
306 1 32 VAL QG 1 35 THR HA 4.350 . 7.000 4.525 3.997 5.222 . 0 0 "[ . 1 . 2]" 1
307 1 32 VAL QG 1 42 PHE QB 4.350 . 7.000 3.797 3.561 4.095 . 0 0 "[ . 1 . 2]" 1
308 1 32 VAL QG 1 42 PHE QE 2.680 . 3.660 2.418 2.145 2.453 . 0 0 "[ . 1 . 2]" 1
309 1 32 VAL QG 1 47 ILE MD 4.350 . 7.000 1.972 1.695 2.368 0.005 10 0 "[ . 1 . 2]" 1
310 1 32 VAL QG 1 50 SER H 4.350 . 7.000 4.890 4.438 5.293 . 0 0 "[ . 1 . 2]" 1
311 1 33 TYR H 1 33 TYR HA 2.960 . 4.220 2.993 2.972 3.006 . 0 0 "[ . 1 . 2]" 1
312 1 33 TYR H 1 33 TYR QB 2.750 . 3.790 2.450 2.186 2.606 . 0 0 "[ . 1 . 2]" 1
313 1 33 TYR H 1 35 THR H 2.770 . 3.850 3.824 3.368 3.901 0.051 9 0 "[ . 1 . 2]" 1
314 1 33 TYR H 1 35 THR HB 2.750 . 3.810 3.604 3.040 3.883 0.073 8 0 "[ . 1 . 2]" 1
315 1 33 TYR H 1 47 ILE QG 3.380 . 5.060 3.493 3.171 3.934 . 0 0 "[ . 1 . 2]" 1
316 1 33 TYR H 1 48 THR HA 2.810 . 3.910 2.894 2.239 3.817 . 0 0 "[ . 1 . 2]" 1
317 1 33 TYR H 1 48 THR MG 4.350 . 7.000 4.990 4.497 5.413 . 0 0 "[ . 1 . 2]" 1
318 1 33 TYR HA 1 34 GLY H 2.850 . 4.000 2.600 2.213 3.152 . 0 0 "[ . 1 . 2]" 1
319 1 33 TYR QB 1 48 THR HA 2.920 . 4.140 1.867 1.711 2.394 . 0 0 "[ . 1 . 2]" 1
320 1 33 TYR QB 1 48 THR HB 4.350 . 7.000 3.844 3.205 4.541 . 0 0 "[ . 1 . 2]" 1
321 1 33 TYR QB 1 48 THR MG 3.210 . 4.710 3.531 3.451 3.594 . 0 0 "[ . 1 . 2]" 1
322 1 33 TYR QB 1 49 THR H 4.050 . 6.410 2.303 1.865 2.532 . 0 0 "[ . 1 . 2]" 1
323 1 34 GLY H 1 35 THR H 3.430 . 5.160 3.220 2.487 3.804 . 0 0 "[ . 1 . 2]" 1
324 1 34 GLY QA 1 35 THR H 2.850 . 4.000 2.621 2.464 2.802 . 0 0 "[ . 1 . 2]" 1
325 1 34 GLY QA 1 49 THR H 3.870 . 6.040 4.720 3.971 5.389 . 0 0 "[ . 1 . 2]" 1
326 1 34 GLY QA 1 49 THR HA 4.350 . 7.000 3.024 2.527 3.531 . 0 0 "[ . 1 . 2]" 1
327 1 34 GLY QA 1 49 THR MG 3.660 . 5.620 2.493 1.875 3.115 . 0 0 "[ . 1 . 2]" 1
328 1 35 THR H 1 35 THR HA 2.470 . 3.240 2.988 2.969 3.004 . 0 0 "[ . 1 . 2]" 1
329 1 35 THR H 1 35 THR HB 2.570 . 3.440 2.312 2.170 2.732 . 0 0 "[ . 1 . 2]" 1
330 1 35 THR H 1 35 THR MG 3.290 . 4.880 3.674 3.562 3.792 . 0 0 "[ . 1 . 2]" 1
331 1 35 THR H 1 50 SER H 4.350 . 7.000 4.314 3.838 4.833 . 0 0 "[ . 1 . 2]" 1
332 1 35 THR HA 1 35 THR HB 2.840 . 3.980 3.021 2.998 3.037 . 0 0 "[ . 1 . 2]" 1
333 1 35 THR HA 1 35 THR MG 3.050 . 4.400 2.471 2.235 2.628 . 0 0 "[ . 1 . 2]" 1
334 1 35 THR HA 1 49 THR HA 4.350 . 7.000 3.404 2.746 3.905 . 0 0 "[ . 1 . 2]" 1
335 1 35 THR HA 1 50 SER H 2.470 . 3.240 2.472 2.175 2.951 . 0 0 "[ . 1 . 2]" 1
336 1 35 THR HA 1 51 THR HA 4.350 . 7.000 3.941 3.125 4.691 . 0 0 "[ . 1 . 2]" 1
337 1 35 THR HA 1 53 THR MG 4.350 . 7.000 5.701 5.230 5.867 . 0 0 "[ . 1 . 2]" 1
338 1 35 THR MG 1 36 THR HA 4.350 . 7.000 3.758 3.382 4.351 . 0 0 "[ . 1 . 2]" 1
339 1 35 THR MG 1 47 ILE MD 3.580 . 5.460 2.173 1.679 2.606 0.021 4 0 "[ . 1 . 2]" 1
340 1 35 THR MG 1 50 SER H 3.700 . 5.700 3.230 1.898 3.789 . 0 0 "[ . 1 . 2]" 1
341 1 35 THR MG 1 50 SER QB 3.850 . 6.000 3.605 2.431 4.456 . 0 0 "[ . 1 . 2]" 1
342 1 35 THR MG 1 51 THR HA 3.850 . 6.000 3.230 2.336 4.103 . 0 0 "[ . 1 . 2]" 1
343 1 35 THR MG 1 52 SER H 3.940 . 6.170 3.044 2.489 3.499 . 0 0 "[ . 1 . 2]" 1
344 1 35 THR MG 1 52 SER QB 4.350 . 7.000 4.006 3.452 4.724 . 0 0 "[ . 1 . 2]" 1
345 1 36 THR HB 1 51 THR HA 4.350 . 7.000 4.341 3.963 5.356 . 0 0 "[ . 1 . 2]" 1
346 1 36 THR MG 1 50 SER HA 3.850 . 6.000 5.011 4.950 5.050 . 0 0 "[ . 1 . 2]" 1
347 1 36 THR MG 1 51 THR H 3.850 . 6.000 4.172 3.908 4.706 . 0 0 "[ . 1 . 2]" 1
348 1 37 CYS HA 1 38 THR H 4.350 . 7.000 2.549 2.207 3.551 . 0 0 "[ . 1 . 2]" 1
349 1 39 GLY H 1 39 GLY QA 2.560 . 3.430 2.414 2.271 2.531 . 0 0 "[ . 1 . 2]" 1
350 1 39 GLY H 1 40 SER H 3.040 . 4.380 2.838 1.950 3.790 . 0 0 "[ . 1 . 2]" 1
351 1 39 GLY H 1 53 THR MG 3.340 . 4.980 3.818 3.186 4.151 . 0 0 "[ . 1 . 2]" 1
352 1 39 GLY QA 1 40 SER H 2.790 . 3.890 2.425 2.178 2.793 . 0 0 "[ . 1 . 2]" 1
353 1 40 SER H 1 40 SER QB 2.890 . 4.080 2.846 2.448 3.311 . 0 0 "[ . 1 . 2]" 1
354 1 40 SER HA 1 41 ARG H 2.460 . 3.210 2.531 2.404 2.642 . 0 0 "[ . 1 . 2]" 1
355 1 40 SER HA 1 55 SER H 2.810 . 3.910 3.950 3.848 4.046 0.136 1 0 "[ . 1 . 2]" 1
356 1 40 SER HA 1 90 ASN QB 4.350 . 7.000 2.883 2.287 3.348 . 0 0 "[ . 1 . 2]" 1
357 1 40 SER HA 1 90 ASN HD21 4.100 . 6.500 3.227 1.924 5.593 . 0 0 "[ . 1 . 2]" 1
358 1 40 SER HA 1 90 ASN HD22 3.370 . 5.040 3.832 2.306 5.070 0.030 9 0 "[ . 1 . 2]" 1
359 1 40 SER QB 1 41 ARG H 2.770 . 3.830 2.795 2.452 3.420 . 0 0 "[ . 1 . 2]" 1
360 1 40 SER QB 1 53 THR HA 3.080 . 4.460 1.893 1.729 2.288 . 0 0 "[ . 1 . 2]" 1
361 1 40 SER QB 1 55 SER H 3.640 . 5.580 3.534 3.009 4.646 . 0 0 "[ . 1 . 2]" 1
362 1 41 ARG H 1 41 ARG HA 2.890 . 4.080 2.986 2.975 3.002 . 0 0 "[ . 1 . 2]" 1
363 1 41 ARG H 1 41 ARG QG 4.350 . 7.000 3.927 3.640 4.297 . 0 0 "[ . 1 . 2]" 1
364 1 41 ARG H 1 55 SER H 4.350 . 7.000 4.534 4.230 5.155 . 0 0 "[ . 1 . 2]" 1
365 1 41 ARG H 1 56 ARG HA 2.560 . 3.420 2.865 2.160 3.247 . 0 0 "[ . 1 . 2]" 1
366 1 41 ARG H 1 57 ILE H 3.080 . 4.460 4.196 3.808 4.487 0.027 10 0 "[ . 1 . 2]" 1
367 1 41 ARG HA 1 41 ARG QG 3.040 . 4.380 3.072 2.294 3.291 . 0 0 "[ . 1 . 2]" 1
368 1 41 ARG HA 1 42 PHE H 2.340 . 2.980 2.220 2.205 2.253 . 0 0 "[ . 1 . 2]" 1
369 1 41 ARG HA 1 42 PHE HA 4.350 . 7.000 4.484 4.472 4.507 . 0 0 "[ . 1 . 2]" 1
370 1 41 ARG HA 1 42 PHE QB 4.350 . 7.000 4.138 4.049 4.220 . 0 0 "[ . 1 . 2]" 1
371 1 41 ARG QB 1 41 ARG QD 3.150 . 4.590 2.379 2.241 2.879 . 0 0 "[ . 1 . 2]" 1
372 1 41 ARG QB 1 42 PHE H 3.230 . 4.760 3.807 3.704 3.916 . 0 0 "[ . 1 . 2]" 1
373 1 41 ARG QB 1 56 ARG HA 3.430 . 5.160 2.700 2.185 3.410 . 0 0 "[ . 1 . 2]" 1
374 1 41 ARG QD 1 56 ARG QG 4.350 . 7.000 4.166 2.243 5.575 . 0 0 "[ . 1 . 2]" 1
375 1 41 ARG QG 1 42 PHE H 3.150 . 4.590 3.441 3.063 3.669 . 0 0 "[ . 1 . 2]" 1
376 1 41 ARG QG 1 90 ASN QB 3.200 . 4.700 3.704 3.535 3.776 . 0 0 "[ . 1 . 2]" 1
377 1 42 PHE H 1 42 PHE QB 3.370 . 5.040 2.192 2.151 2.249 . 0 0 "[ . 1 . 2]" 1
378 1 42 PHE H 1 43 ASP H 3.270 . 4.830 4.559 4.524 4.611 . 0 0 "[ . 1 . 2]" 1
379 1 42 PHE HA 1 42 PHE QD 2.580 . 3.460 2.616 2.390 2.811 . 0 0 "[ . 1 . 2]" 1
380 1 42 PHE HA 1 43 ASP H 2.750 . 3.800 2.437 2.299 2.547 . 0 0 "[ . 1 . 2]" 1
381 1 42 PHE HA 1 45 VAL QG 4.070 . 6.440 3.396 3.129 3.876 . 0 0 "[ . 1 . 2]" 1
382 1 42 PHE HA 1 57 ILE H 3.210 . 4.710 2.790 2.160 3.262 . 0 0 "[ . 1 . 2]" 1
383 1 42 PHE HA 1 57 ILE HB 3.050 . 4.400 3.182 1.857 4.552 0.152 7 0 "[ . 1 . 2]" 1
384 1 42 PHE QB 1 42 PHE QD 2.850 . 4.000 2.207 2.172 2.252 . 0 0 "[ . 1 . 2]" 1
385 1 42 PHE QB 1 43 ASP H 3.780 . 5.860 2.546 2.276 2.931 . 0 0 "[ . 1 . 2]" 1
386 1 42 PHE QB 1 45 VAL H 4.010 . 6.330 4.541 4.024 4.847 . 0 0 "[ . 1 . 2]" 1
387 1 42 PHE QB 1 45 VAL HA 4.350 . 7.000 6.027 5.612 6.256 . 0 0 "[ . 1 . 2]" 1
388 1 42 PHE QB 1 45 VAL HB 3.740 . 5.780 3.234 2.848 3.504 . 0 0 "[ . 1 . 2]" 1
389 1 42 PHE QB 1 45 VAL QG 3.670 . 5.630 3.439 3.282 3.653 . 0 0 "[ . 1 . 2]" 1
390 1 42 PHE QD 1 45 VAL QG 2.780 . 3.860 2.586 2.571 2.604 . 0 0 "[ . 1 . 2]" 1
391 1 42 PHE QD 1 47 ILE QG 2.810 . 3.930 3.141 3.093 3.173 . 0 0 "[ . 1 . 2]" 1
392 1 42 PHE QE 1 47 ILE MD 3.000 . 4.300 1.930 1.827 2.167 . 0 0 "[ . 1 . 2]" 1
393 1 42 PHE QE 1 53 THR HA 2.630 . 3.560 3.183 3.035 3.275 . 0 0 "[ . 1 . 2]" 1
394 1 42 PHE HZ 1 47 ILE MD 2.830 . 3.950 2.678 2.234 3.081 . 0 0 "[ . 1 . 2]" 1
395 1 42 PHE HZ 1 52 SER QB 2.990 . 4.280 3.645 2.669 3.863 . 0 0 "[ . 1 . 2]" 1
396 1 43 ASP H 1 43 ASP HA 3.000 . 4.300 2.880 2.835 2.982 . 0 0 "[ . 1 . 2]" 1
397 1 43 ASP H 1 43 ASP QB 2.690 . 3.670 2.865 2.569 2.928 . 0 0 "[ . 1 . 2]" 1
398 1 43 ASP H 1 44 GLY H 4.350 . 7.000 3.638 3.104 3.964 . 0 0 "[ . 1 . 2]" 1
399 1 43 ASP H 1 44 GLY QA 4.350 . 7.000 4.538 4.331 4.687 . 0 0 "[ . 1 . 2]" 1
400 1 43 ASP H 1 45 VAL QG 3.410 . 5.120 2.541 1.861 3.176 . 0 0 "[ . 1 . 2]" 1
401 1 43 ASP H 1 57 ILE H 3.440 . 5.170 4.289 3.949 4.812 . 0 0 "[ . 1 . 2]" 1
402 1 43 ASP H 1 57 ILE HB 3.170 . 4.640 4.068 3.525 4.666 0.026 7 0 "[ . 1 . 2]" 1
403 1 43 ASP H 1 58 SER HA 2.940 . 4.180 3.827 2.574 4.197 0.017 17 0 "[ . 1 . 2]" 1
404 1 43 ASP H 1 59 GLY H 3.850 . 6.000 5.476 5.098 5.926 . 0 0 "[ . 1 . 2]" 1
405 1 43 ASP HA 1 44 GLY H 2.830 . 3.970 2.280 2.235 2.510 . 0 0 "[ . 1 . 2]" 1
406 1 43 ASP HA 1 44 GLY QA 3.520 . 5.340 4.004 3.984 4.019 . 0 0 "[ . 1 . 2]" 1
407 1 43 ASP HA 1 45 VAL H 4.350 . 7.000 4.686 4.499 5.208 . 0 0 "[ . 1 . 2]" 1
408 1 43 ASP HA 1 45 VAL QG 4.350 . 7.000 4.422 3.915 5.045 . 0 0 "[ . 1 . 2]" 1
409 1 43 ASP QB 1 44 GLY H 4.010 . 6.330 3.935 3.802 4.051 . 0 0 "[ . 1 . 2]" 1
410 1 43 ASP QB 1 58 SER HA 3.210 . 4.710 3.301 2.720 3.651 . 0 0 "[ . 1 . 2]" 1
411 1 43 ASP QB 1 58 SER QB 3.790 . 5.870 3.722 1.825 4.632 . 0 0 "[ . 1 . 2]" 1
412 1 43 ASP QB 1 59 GLY H 3.850 . 6.000 4.824 4.146 5.269 . 0 0 "[ . 1 . 2]" 1
413 1 44 GLY H 1 45 VAL HB 4.350 . 7.000 4.301 3.847 4.446 . 0 0 "[ . 1 . 2]" 1
414 1 44 GLY H 1 45 VAL QG 3.850 . 6.000 4.124 3.783 4.481 . 0 0 "[ . 1 . 2]" 1
415 1 44 GLY QA 1 45 VAL QG 4.180 . 6.670 3.604 3.449 3.969 . 0 0 "[ . 1 . 2]" 1
416 1 44 GLY QA 1 59 GLY H 2.680 . 3.660 3.197 2.776 3.311 . 0 0 "[ . 1 . 2]" 1
417 1 44 GLY QA 1 60 PRO HA 3.350 . 5.000 3.831 3.480 4.257 . 0 0 "[ . 1 . 2]" 1
418 1 44 GLY QA 1 60 PRO QB 4.350 . 7.000 4.953 4.339 5.437 . 0 0 "[ . 1 . 2]" 1
419 1 44 GLY QA 1 61 GLY H 4.350 . 7.000 5.765 5.319 6.067 . 0 0 "[ . 1 . 2]" 1
420 1 45 VAL H 1 45 VAL HA 2.710 . 3.710 2.986 2.977 2.995 . 0 0 "[ . 1 . 2]" 1
421 1 45 VAL H 1 45 VAL HB 2.580 . 3.460 2.531 2.493 2.570 . 0 0 "[ . 1 . 2]" 1
422 1 45 VAL H 1 45 VAL QG 3.360 . 5.020 3.069 2.983 3.156 . 0 0 "[ . 1 . 2]" 1
423 1 45 VAL H 1 46 THR H 3.620 . 5.540 4.277 4.036 4.440 . 0 0 "[ . 1 . 2]" 1
424 1 45 VAL HA 1 45 VAL HB 2.770 . 3.830 2.997 2.904 3.020 . 0 0 "[ . 1 . 2]" 1
425 1 45 VAL HA 1 45 VAL QG 2.680 . 3.660 2.045 1.880 2.120 . 0 0 "[ . 1 . 2]" 1
426 1 45 VAL HA 1 46 THR H 2.210 . 2.730 2.238 2.208 2.366 . 0 0 "[ . 1 . 2]" 1
427 1 45 VAL HA 1 62 CYS H 2.690 . 3.690 3.711 3.450 3.780 0.090 18 0 "[ . 1 . 2]" 1
428 1 45 VAL HA 1 62 CYS QB 2.460 . 3.230 2.508 1.989 2.794 . 0 0 "[ . 1 . 2]" 1
429 1 45 VAL HB 1 46 THR H 3.790 . 5.870 4.397 4.189 4.539 . 0 0 "[ . 1 . 2]" 1
430 1 45 VAL QG 1 46 THR H 3.400 . 5.090 2.549 2.117 3.154 . 0 0 "[ . 1 . 2]" 1
431 1 45 VAL QG 1 46 THR HA 3.850 . 6.000 3.538 3.200 3.727 . 0 0 "[ . 1 . 2]" 1
432 1 45 VAL QG 1 47 ILE H 3.710 . 5.710 2.967 2.629 3.242 . 0 0 "[ . 1 . 2]" 1
433 1 45 VAL QG 1 47 ILE HA 3.850 . 6.000 3.948 3.823 4.066 . 0 0 "[ . 1 . 2]" 1
434 1 45 VAL QG 1 57 ILE H 4.090 . 6.490 3.744 3.312 4.370 . 0 0 "[ . 1 . 2]" 1
435 1 45 VAL QG 1 57 ILE HA 3.850 . 6.000 3.672 3.348 4.066 . 0 0 "[ . 1 . 2]" 1
436 1 45 VAL QG 1 57 ILE HB 3.570 . 5.440 2.355 1.852 3.380 . 0 0 "[ . 1 . 2]" 1
437 1 45 VAL QG 1 57 ILE MD 3.340 . 4.980 2.772 1.595 3.040 0.105 7 0 "[ . 1 . 2]" 1
438 1 45 VAL QG 1 57 ILE QG 4.350 . 7.000 3.492 2.225 3.768 . 0 0 "[ . 1 . 2]" 1
439 1 45 VAL QG 1 58 SER H 4.100 . 6.500 2.999 2.636 3.272 . 0 0 "[ . 1 . 2]" 1
440 1 45 VAL QG 1 58 SER HA 3.540 . 5.380 2.220 1.823 2.714 . 0 0 "[ . 1 . 2]" 1
441 1 45 VAL QG 1 59 GLY H 3.840 . 5.980 2.999 2.433 3.393 . 0 0 "[ . 1 . 2]" 1
442 1 45 VAL QG 1 62 CYS H 4.000 . 6.290 4.266 3.937 4.531 . 0 0 "[ . 1 . 2]" 1
443 1 45 VAL QG 1 62 CYS QB 3.660 . 5.620 2.760 2.237 3.042 . 0 0 "[ . 1 . 2]" 1
444 1 45 VAL QG 1 64 ILE MD 3.850 . 6.000 3.724 3.650 3.756 . 0 0 "[ . 1 . 2]" 1
445 1 45 VAL QG 1 85 CYS HA 4.350 . 7.000 4.148 3.700 4.499 . 0 0 "[ . 1 . 2]" 1
446 1 46 THR H 1 46 THR HA 2.710 . 3.720 2.993 2.977 3.001 . 0 0 "[ . 1 . 2]" 1
447 1 46 THR H 1 46 THR HB 2.420 . 3.150 2.457 2.279 2.577 . 0 0 "[ . 1 . 2]" 1
448 1 46 THR H 1 46 THR MG 3.580 . 5.460 3.763 3.673 3.803 . 0 0 "[ . 1 . 2]" 1
449 1 46 THR H 1 47 ILE H 3.040 . 4.370 3.957 3.705 4.128 . 0 0 "[ . 1 . 2]" 1
450 1 46 THR H 1 62 CYS H 3.590 . 5.480 3.598 3.100 4.276 . 0 0 "[ . 1 . 2]" 1
451 1 46 THR H 1 62 CYS QB 4.020 . 6.340 2.730 2.360 3.060 . 0 0 "[ . 1 . 2]" 1
452 1 46 THR HA 1 46 THR HB 2.830 . 3.950 3.034 3.023 3.040 . 0 0 "[ . 1 . 2]" 1
453 1 46 THR HA 1 46 THR MG 2.680 . 3.660 2.355 2.171 2.473 . 0 0 "[ . 1 . 2]" 1
454 1 46 THR HA 1 47 ILE H 2.250 . 2.790 2.308 2.270 2.343 . 0 0 "[ . 1 . 2]" 1
455 1 46 THR HA 1 47 ILE QG 3.520 . 5.330 3.823 3.758 3.927 . 0 0 "[ . 1 . 2]" 1
456 1 46 THR HB 1 46 THR MG 2.470 . 3.240 2.110 2.103 2.121 . 0 0 "[ . 1 . 2]" 1
457 1 46 THR HB 1 63 LYS HA 2.750 . 3.790 3.406 2.941 3.767 . 0 0 "[ . 1 . 2]" 1
458 1 46 THR HB 1 63 LYS QB 4.350 . 7.000 4.740 4.022 5.200 . 0 0 "[ . 1 . 2]" 1
459 1 46 THR HB 1 63 LYS QD 3.120 . 4.540 3.565 2.531 4.084 . 0 0 "[ . 1 . 2]" 1
460 1 46 THR HB 1 63 LYS QG 3.720 . 5.740 3.389 2.225 4.955 . 0 0 "[ . 1 . 2]" 1
461 1 46 THR MG 1 47 ILE H 3.030 . 4.360 3.362 3.258 3.454 . 0 0 "[ . 1 . 2]" 1
462 1 46 THR MG 1 47 ILE HA 4.350 . 7.000 3.977 3.761 4.301 . 0 0 "[ . 1 . 2]" 1
463 1 46 THR MG 1 47 ILE QG 3.850 . 6.000 4.502 4.469 4.567 . 0 0 "[ . 1 . 2]" 1
464 1 46 THR MG 1 63 LYS HA 3.850 . 6.000 3.618 3.105 4.205 . 0 0 "[ . 1 . 2]" 1
465 1 46 THR MG 1 63 LYS QB 4.350 . 7.000 4.527 3.969 4.973 . 0 0 "[ . 1 . 2]" 1
466 1 46 THR MG 1 63 LYS QD 4.350 . 7.000 3.005 2.137 3.923 . 0 0 "[ . 1 . 2]" 1
467 1 46 THR MG 1 63 LYS QE 3.850 . 6.000 3.390 1.762 4.236 . 0 0 "[ . 1 . 2]" 1
468 1 47 ILE H 1 47 ILE MD 4.350 . 7.000 3.620 3.562 3.731 . 0 0 "[ . 1 . 2]" 1
469 1 47 ILE H 1 47 ILE QG 2.790 . 3.870 1.868 1.793 2.026 . 0 0 "[ . 1 . 2]" 1
470 1 47 ILE H 1 47 ILE MG 3.660 . 5.620 2.595 2.444 2.747 . 0 0 "[ . 1 . 2]" 1
471 1 47 ILE H 1 48 THR H 4.350 . 7.000 4.550 4.518 4.578 . 0 0 "[ . 1 . 2]" 1
472 1 47 ILE HA 1 47 ILE HB 2.710 . 3.730 2.501 2.467 2.537 . 0 0 "[ . 1 . 2]" 1
473 1 47 ILE HA 1 47 ILE MD 3.850 . 6.000 3.908 3.794 3.974 . 0 0 "[ . 1 . 2]" 1
474 1 47 ILE HA 1 47 ILE QG 3.610 . 5.520 3.293 3.281 3.309 . 0 0 "[ . 1 . 2]" 1
475 1 47 ILE HA 1 48 THR H 2.350 . 3.000 2.474 2.353 2.562 . 0 0 "[ . 1 . 2]" 1
476 1 47 ILE HA 1 48 THR HB 4.350 . 7.000 4.040 3.818 4.222 . 0 0 "[ . 1 . 2]" 1
477 1 47 ILE HA 1 48 THR MG 3.850 . 6.000 4.348 3.987 5.013 . 0 0 "[ . 1 . 2]" 1
478 1 47 ILE HA 1 63 LYS HA 3.420 . 5.130 3.633 3.337 3.924 . 0 0 "[ . 1 . 2]" 1
479 1 47 ILE HA 1 64 ILE H 2.890 . 4.080 2.264 2.057 2.531 . 0 0 "[ . 1 . 2]" 1
480 1 47 ILE HA 1 64 ILE HB 2.580 . 3.460 3.298 3.079 3.493 0.033 11 0 "[ . 1 . 2]" 1
481 1 47 ILE HA 1 64 ILE QG 3.850 . 6.000 4.891 4.783 5.000 . 0 0 "[ . 1 . 2]" 1
482 1 47 ILE HB 1 47 ILE MD 3.070 . 4.440 2.074 1.892 2.133 . 0 0 "[ . 1 . 2]" 1
483 1 47 ILE HB 1 48 THR H 3.500 . 5.290 2.600 2.418 2.902 . 0 0 "[ . 1 . 2]" 1
484 1 47 ILE HB 1 50 SER QB 3.710 . 5.720 3.559 2.839 4.363 . 0 0 "[ . 1 . 2]" 1
485 1 47 ILE HB 1 57 ILE MD 3.850 . 6.000 5.051 5.022 5.083 . 0 0 "[ . 1 . 2]" 1
486 1 47 ILE HB 1 64 ILE H 2.950 . 4.200 4.071 3.916 4.213 0.013 18 0 "[ . 1 . 2]" 1
487 1 47 ILE HB 1 64 ILE HB 4.350 . 7.000 3.499 3.360 3.732 . 0 0 "[ . 1 . 2]" 1
488 1 47 ILE MD 1 48 THR H 4.100 . 6.500 3.382 3.084 3.766 . 0 0 "[ . 1 . 2]" 1
489 1 47 ILE MD 1 50 SER H 4.350 . 7.000 3.461 2.915 3.818 . 0 0 "[ . 1 . 2]" 1
490 1 47 ILE MD 1 50 SER QB 3.850 . 6.000 3.262 2.376 3.979 . 0 0 "[ . 1 . 2]" 1
491 1 47 ILE MD 1 52 SER QB 4.350 . 7.000 4.138 3.469 4.797 . 0 0 "[ . 1 . 2]" 1
492 1 47 ILE MD 1 64 ILE HB 3.850 . 6.000 4.871 4.719 5.012 . 0 0 "[ . 1 . 2]" 1
493 1 47 ILE QG 1 48 THR H 3.900 . 6.100 3.845 3.607 4.077 . 0 0 "[ . 1 . 2]" 1
494 1 47 ILE MG 1 48 THR H 3.390 . 5.080 3.837 3.691 3.932 . 0 0 "[ . 1 . 2]" 1
495 1 48 THR H 1 48 THR HB 2.650 . 3.590 2.683 2.466 2.885 . 0 0 "[ . 1 . 2]" 1
496 1 48 THR H 1 48 THR MG 3.000 . 4.290 2.388 2.057 3.274 . 0 0 "[ . 1 . 2]" 1
497 1 48 THR H 1 64 ILE H 3.290 . 4.870 3.928 3.357 4.254 . 0 0 "[ . 1 . 2]" 1
498 1 48 THR H 1 64 ILE HB 4.350 . 7.000 4.541 4.267 4.896 . 0 0 "[ . 1 . 2]" 1
499 1 48 THR H 1 64 ILE QG 3.850 . 6.000 4.973 4.527 5.298 . 0 0 "[ . 1 . 2]" 1
500 1 48 THR H 1 65 SER HA 2.900 . 4.100 4.043 3.676 4.166 0.066 20 0 "[ . 1 . 2]" 1
501 1 48 THR H 1 65 SER QB 4.350 . 7.000 5.568 5.191 5.827 . 0 0 "[ . 1 . 2]" 1
502 1 48 THR HA 1 48 THR HB 2.750 . 3.800 2.645 2.511 2.901 . 0 0 "[ . 1 . 2]" 1
503 1 48 THR HA 1 48 THR MG 2.910 . 4.120 3.141 2.891 3.184 . 0 0 "[ . 1 . 2]" 1
504 1 48 THR HA 1 49 THR H 2.580 . 3.460 2.839 2.214 3.018 . 0 0 "[ . 1 . 2]" 1
505 1 48 THR HA 1 50 SER H 4.350 . 7.000 4.951 4.747 5.278 . 0 0 "[ . 1 . 2]" 1
506 1 48 THR HB 1 49 THR H 3.330 . 4.960 3.671 3.440 4.654 . 0 0 "[ . 1 . 2]" 1
507 1 48 THR HB 1 65 SER HA 3.120 . 4.540 4.326 3.681 4.571 0.031 11 0 "[ . 1 . 2]" 1
508 1 48 THR HB 1 65 SER QB 4.350 . 7.000 5.517 5.102 6.040 . 0 0 "[ . 1 . 2]" 1
509 1 48 THR MG 1 49 THR H 3.350 . 5.000 2.082 1.818 3.376 . 0 0 "[ . 1 . 2]" 1
510 1 48 THR MG 1 49 THR HB 3.290 . 4.870 2.883 2.529 3.216 . 0 0 "[ . 1 . 2]" 1
511 1 48 THR MG 1 65 SER HA 2.850 . 4.000 2.455 2.085 3.253 . 0 0 "[ . 1 . 2]" 1
512 1 48 THR MG 1 65 SER QB 3.520 . 5.340 3.817 3.259 4.008 . 0 0 "[ . 1 . 2]" 1
513 1 48 THR MG 1 66 THR H 4.350 . 7.000 2.740 2.001 4.089 . 0 0 "[ . 1 . 2]" 1
514 1 49 THR H 1 49 THR HA 2.650 . 3.600 2.787 2.382 2.904 . 0 0 "[ . 1 . 2]" 1
515 1 49 THR H 1 49 THR HB 3.330 . 4.950 2.686 2.250 3.772 . 0 0 "[ . 1 . 2]" 1
516 1 49 THR H 1 49 THR MG 3.440 . 5.170 3.662 3.554 3.707 . 0 0 "[ . 1 . 2]" 1
517 1 49 THR H 1 50 SER H 3.120 . 4.540 4.092 3.426 4.256 . 0 0 "[ . 1 . 2]" 1
518 1 49 THR HA 1 49 THR MG 3.120 . 4.540 2.261 1.956 2.529 . 0 0 "[ . 1 . 2]" 1
519 1 49 THR HA 1 50 SER H 2.850 . 4.000 2.389 2.329 2.534 . 0 0 "[ . 1 . 2]" 1
520 1 49 THR HA 1 50 SER HA 3.130 . 4.560 4.460 4.442 4.472 . 0 0 "[ . 1 . 2]" 1
521 1 49 THR HB 1 66 THR H 3.890 . 6.080 4.983 3.563 5.487 . 0 0 "[ . 1 . 2]" 1
522 1 49 THR HB 1 66 THR MG 3.060 . 4.420 3.441 2.592 3.708 . 0 0 "[ . 1 . 2]" 1
523 1 49 THR MG 1 50 SER H 4.350 . 7.000 3.635 3.381 3.915 . 0 0 "[ . 1 . 2]" 1
524 1 49 THR MG 1 66 THR HA 4.350 . 7.000 4.834 4.158 5.557 . 0 0 "[ . 1 . 2]" 1
525 1 49 THR MG 1 66 THR HB 4.350 . 7.000 5.396 4.349 5.831 . 0 0 "[ . 1 . 2]" 1
526 1 50 SER H 1 50 SER QB 3.450 . 5.200 2.739 2.461 3.127 . 0 0 "[ . 1 . 2]" 1
527 1 50 SER HA 1 51 THR H 2.760 . 3.820 2.357 2.192 2.780 . 0 0 "[ . 1 . 2]" 1
528 1 50 SER HA 1 66 THR HA 3.460 . 5.210 1.923 1.790 2.377 . 0 0 "[ . 1 . 2]" 1
529 1 50 SER HA 1 67 CYS H 3.150 . 4.590 3.117 2.264 4.625 0.035 1 0 "[ . 1 . 2]" 1
530 1 50 SER QB 1 51 THR H 4.100 . 6.500 3.026 2.087 3.746 . 0 0 "[ . 1 . 2]" 1
531 1 50 SER QB 1 64 ILE QG 4.350 . 7.000 3.727 3.365 4.243 . 0 0 "[ . 1 . 2]" 1
532 1 51 THR H 1 51 THR HA 2.850 . 4.000 2.980 2.946 3.001 . 0 0 "[ . 1 . 2]" 1
533 1 51 THR HA 1 51 THR HB 2.780 . 3.860 2.648 2.367 3.042 . 0 0 "[ . 1 . 2]" 1
534 1 51 THR HA 1 51 THR MG 2.720 . 3.740 2.506 1.954 3.181 . 0 0 "[ . 1 . 2]" 1
535 1 51 THR HA 1 52 SER H 2.330 . 2.970 2.682 2.318 2.883 . 0 0 "[ . 1 . 2]" 1
536 1 51 THR MG 1 52 SER H 3.560 . 5.410 4.148 3.683 4.339 . 0 0 "[ . 1 . 2]" 1
537 1 52 SER H 1 52 SER HA 2.860 . 4.020 2.987 2.955 3.003 . 0 0 "[ . 1 . 2]" 1
538 1 52 SER H 1 52 SER QB 2.830 . 3.960 2.288 2.089 2.766 . 0 0 "[ . 1 . 2]" 1
539 1 52 SER H 1 70 THR H 4.350 . 7.000 6.450 5.758 7.023 0.023 6 0 "[ . 1 . 2]" 1
540 1 52 SER HA 1 53 THR H 2.770 . 3.840 2.290 2.204 2.704 . 0 0 "[ . 1 . 2]" 1
541 1 52 SER QB 1 57 ILE QG 4.100 . 6.500 4.449 3.375 5.166 . 0 0 "[ . 1 . 2]" 1
542 1 53 THR H 1 53 THR HA 2.810 . 3.920 2.953 2.843 3.007 . 0 0 "[ . 1 . 2]" 1
543 1 53 THR H 1 53 THR HB 3.050 . 4.400 3.709 3.503 3.909 . 0 0 "[ . 1 . 2]" 1
544 1 53 THR H 1 53 THR MG 4.100 . 6.500 2.906 2.206 3.753 . 0 0 "[ . 1 . 2]" 1
545 1 53 THR HA 1 53 THR HB 2.770 . 3.840 2.532 2.321 2.769 . 0 0 "[ . 1 . 2]" 1
546 1 53 THR HA 1 53 THR MG 3.000 . 4.300 2.410 1.972 3.172 . 0 0 "[ . 1 . 2]" 1
547 1 53 THR HA 1 54 GLY H 2.820 . 3.940 2.382 2.151 2.973 . 0 0 "[ . 1 . 2]" 1
548 1 53 THR HA 1 70 THR H 3.280 . 4.860 4.760 4.277 5.185 0.325 13 0 "[ . 1 . 2]" 1
549 1 53 THR MG 1 54 GLY H 4.350 . 7.000 3.907 3.408 4.408 . 0 0 "[ . 1 . 2]" 1
550 1 54 GLY H 1 55 SER H 4.350 . 7.000 2.474 1.842 3.738 . 0 0 "[ . 1 . 2]" 1
551 1 54 GLY QA 1 55 SER H 3.610 . 5.520 2.709 2.471 2.891 . 0 0 "[ . 1 . 2]" 1
552 1 54 GLY QA 1 90 ASN QB 4.350 . 7.000 4.090 3.433 4.491 . 0 0 "[ . 1 . 2]" 1
553 1 55 SER H 1 55 SER HA 2.930 . 4.160 2.990 2.978 3.000 . 0 0 "[ . 1 . 2]" 1
554 1 55 SER H 1 55 SER QB 2.970 . 4.240 2.516 2.039 3.116 . 0 0 "[ . 1 . 2]" 1
555 1 55 SER H 1 56 ARG H 4.350 . 7.000 4.471 4.328 4.557 . 0 0 "[ . 1 . 2]" 1
556 1 55 SER H 1 73 VAL H 3.360 . 5.020 5.085 5.022 5.188 0.168 10 0 "[ . 1 . 2]" 1
557 1 55 SER H 1 73 VAL QG 3.850 . 6.000 4.264 3.614 4.568 . 0 0 "[ . 1 . 2]" 1
558 1 55 SER H 1 90 ASN QB 3.080 . 4.460 3.972 3.624 4.074 . 0 0 "[ . 1 . 2]" 1
559 1 55 SER HA 1 56 ARG H 2.380 . 3.070 2.575 2.334 2.824 . 0 0 "[ . 1 . 2]" 1
560 1 55 SER HA 1 72 GLY H 3.170 . 4.630 3.806 2.680 4.437 . 0 0 "[ . 1 . 2]" 1
561 1 55 SER HA 1 89 ALA HA 2.600 . 3.500 2.179 1.812 2.545 . 0 0 "[ . 1 . 2]" 1
562 1 55 SER HA 1 89 ALA MB 4.350 . 7.000 3.759 3.463 4.023 . 0 0 "[ . 1 . 2]" 1
563 1 55 SER HA 1 90 ASN H 2.880 . 4.050 2.179 1.841 3.622 . 0 0 "[ . 1 . 2]" 1
564 1 55 SER HA 1 90 ASN QB 4.350 . 7.000 2.377 1.866 3.086 . 0 0 "[ . 1 . 2]" 1
565 1 55 SER QB 1 56 ARG H 2.970 . 4.240 2.678 1.835 3.233 . 0 0 "[ . 1 . 2]" 1
566 1 55 SER QB 1 57 ILE QG 3.820 . 5.940 4.408 3.889 4.739 . 0 0 "[ . 1 . 2]" 1
567 1 55 SER QB 1 72 GLY H 3.670 . 5.630 2.068 1.686 2.987 0.014 19 0 "[ . 1 . 2]" 1
568 1 55 SER QB 1 72 GLY QA 3.260 . 4.820 2.304 1.734 3.052 . 0 0 "[ . 1 . 2]" 1
569 1 55 SER QB 1 73 VAL QG 3.850 . 6.000 3.286 2.301 4.017 . 0 0 "[ . 1 . 2]" 1
570 1 56 ARG H 1 56 ARG HA 2.860 . 4.020 2.977 2.957 3.003 . 0 0 "[ . 1 . 2]" 1
571 1 56 ARG H 1 56 ARG QB 3.030 . 4.360 2.340 2.049 2.735 . 0 0 "[ . 1 . 2]" 1
572 1 56 ARG H 1 56 ARG QD 3.850 . 6.000 3.956 2.847 4.670 . 0 0 "[ . 1 . 2]" 1
573 1 56 ARG H 1 56 ARG QG 3.250 . 4.800 3.146 1.835 4.056 . 0 0 "[ . 1 . 2]" 1
574 1 56 ARG H 1 57 ILE H 4.350 . 7.000 4.494 4.349 4.625 . 0 0 "[ . 1 . 2]" 1
575 1 56 ARG H 1 72 GLY QA 3.810 . 5.920 4.875 4.323 5.332 . 0 0 "[ . 1 . 2]" 1
576 1 56 ARG H 1 87 PHE HA 3.360 . 5.020 4.356 3.472 4.801 . 0 0 "[ . 1 . 2]" 1
577 1 56 ARG H 1 88 SER H 2.830 . 3.950 2.756 2.235 3.284 . 0 0 "[ . 1 . 2]" 1
578 1 56 ARG H 1 88 SER HA 3.110 . 4.520 4.513 4.190 4.600 0.080 20 0 "[ . 1 . 2]" 1
579 1 56 ARG H 1 89 ALA HA 2.850 . 4.000 3.824 3.375 4.037 0.037 5 0 "[ . 1 . 2]" 1
580 1 56 ARG H 1 89 ALA MB 4.350 . 7.000 4.691 4.199 4.985 . 0 0 "[ . 1 . 2]" 1
581 1 56 ARG H 1 90 ASN H 3.570 . 5.440 4.089 3.349 4.698 . 0 0 "[ . 1 . 2]" 1
582 1 56 ARG H 1 90 ASN QB 3.020 . 4.340 2.943 2.435 3.610 . 0 0 "[ . 1 . 2]" 1
583 1 56 ARG HA 1 56 ARG QD 4.350 . 7.000 4.046 3.602 4.337 . 0 0 "[ . 1 . 2]" 1
584 1 56 ARG HA 1 56 ARG QG 3.230 . 4.760 2.655 2.019 3.367 . 0 0 "[ . 1 . 2]" 1
585 1 56 ARG HA 1 57 ILE H 2.360 . 3.030 2.253 2.220 2.372 . 0 0 "[ . 1 . 2]" 1
586 1 56 ARG QB 1 57 ILE H 4.350 . 7.000 3.535 2.700 3.988 . 0 0 "[ . 1 . 2]" 1
587 1 56 ARG QB 1 88 SER H 3.770 . 5.840 4.001 2.574 5.206 . 0 0 "[ . 1 . 2]" 1
588 1 56 ARG QB 1 88 SER QB 3.850 . 6.000 3.535 2.257 4.753 . 0 0 "[ . 1 . 2]" 1
589 1 56 ARG QB 1 90 ASN QB 4.350 . 7.000 2.591 1.990 3.994 . 0 0 "[ . 1 . 2]" 1
590 1 56 ARG QD 1 88 SER QB 3.850 . 6.000 3.606 2.565 4.773 . 0 0 "[ . 1 . 2]" 1
591 1 56 ARG QD 1 90 ASN HA 4.350 . 7.000 4.363 1.954 6.261 . 0 0 "[ . 1 . 2]" 1
592 1 56 ARG QG 1 57 ILE H 3.330 . 4.950 3.400 2.404 4.295 . 0 0 "[ . 1 . 2]" 1
593 1 56 ARG QG 1 90 ASN HA 3.930 . 6.160 4.249 1.860 5.466 . 0 0 "[ . 1 . 2]" 1
594 1 56 ARG QG 1 90 ASN QB 3.560 . 5.420 3.406 1.836 4.273 . 0 0 "[ . 1 . 2]" 1
595 1 57 ILE H 1 57 ILE HA 2.830 . 3.960 2.989 2.973 3.004 . 0 0 "[ . 1 . 2]" 1
596 1 57 ILE H 1 57 ILE HB 2.600 . 3.500 2.401 2.173 3.587 0.087 7 0 "[ . 1 . 2]" 1
597 1 57 ILE H 1 57 ILE MD 4.030 . 6.360 4.191 3.665 4.467 . 0 0 "[ . 1 . 2]" 1
598 1 57 ILE H 1 57 ILE QG 3.980 . 6.260 2.777 1.961 3.322 . 0 0 "[ . 1 . 2]" 1
599 1 57 ILE H 1 57 ILE MG 3.980 . 6.260 3.638 2.503 3.789 . 0 0 "[ . 1 . 2]" 1
600 1 57 ILE H 1 58 SER H 4.350 . 7.000 4.545 4.410 4.602 . 0 0 "[ . 1 . 2]" 1
601 1 57 ILE HA 1 57 ILE HB 2.850 . 4.000 2.996 2.483 3.032 . 0 0 "[ . 1 . 2]" 1
602 1 57 ILE HA 1 57 ILE MD 3.290 . 4.880 3.247 2.328 4.050 . 0 0 "[ . 1 . 2]" 1
603 1 57 ILE HA 1 58 SER H 2.330 . 2.950 2.319 2.205 2.411 . 0 0 "[ . 1 . 2]" 1
604 1 57 ILE HA 1 58 SER HA 4.350 . 7.000 4.538 4.495 4.574 . 0 0 "[ . 1 . 2]" 1
605 1 57 ILE HA 1 86 THR H 3.250 . 4.790 3.902 3.542 4.653 . 0 0 "[ . 1 . 2]" 1
606 1 57 ILE HB 1 57 ILE MD 2.910 . 4.120 2.774 2.087 3.165 . 0 0 "[ . 1 . 2]" 1
607 1 57 ILE HB 1 57 ILE QG 2.620 . 3.540 2.236 2.175 2.475 . 0 0 "[ . 1 . 2]" 1
608 1 57 ILE MD 1 58 SER H 3.230 . 4.760 3.939 3.350 4.121 . 0 0 "[ . 1 . 2]" 1
609 1 57 ILE MD 1 58 SER HA 4.350 . 7.000 5.669 4.440 5.881 . 0 0 "[ . 1 . 2]" 1
610 1 57 ILE MD 1 82 ILE QG 4.350 . 7.000 4.103 3.533 5.213 . 0 0 "[ . 1 . 2]" 1
611 1 57 ILE MD 1 85 CYS HA 4.350 . 7.000 5.026 4.694 5.620 . 0 0 "[ . 1 . 2]" 1
612 1 57 ILE MD 1 85 CYS QB 3.730 . 5.760 3.263 2.619 3.862 . 0 0 "[ . 1 . 2]" 1
613 1 57 ILE MD 1 86 THR H 3.520 . 5.340 4.410 4.174 4.476 . 0 0 "[ . 1 . 2]" 1
614 1 57 ILE MD 1 87 PHE QE 2.910 . 4.120 2.585 1.802 3.074 . 0 0 "[ . 1 . 2]" 1
615 1 57 ILE QG 1 57 ILE MG 3.000 . 4.300 2.513 2.071 2.612 . 0 0 "[ . 1 . 2]" 1
616 1 57 ILE QG 1 58 SER H 4.350 . 7.000 4.028 3.798 4.457 . 0 0 "[ . 1 . 2]" 1
617 1 57 ILE MG 1 58 SER H 4.040 . 6.370 2.233 1.838 3.742 . 0 0 "[ . 1 . 2]" 1
618 1 57 ILE MG 1 87 PHE QD 3.080 . 4.460 3.247 1.755 3.366 . 0 0 "[ . 1 . 2]" 1
619 1 58 SER H 1 58 SER QB 2.870 . 4.040 2.667 2.515 3.214 . 0 0 "[ . 1 . 2]" 1
620 1 58 SER H 1 59 GLY H 3.850 . 6.000 4.415 4.343 4.459 . 0 0 "[ . 1 . 2]" 1
621 1 58 SER H 1 85 CYS QB 3.310 . 4.920 4.222 3.627 4.448 . 0 0 "[ . 1 . 2]" 1
622 1 58 SER HA 1 59 GLY H 2.810 . 3.920 2.374 2.277 2.703 . 0 0 "[ . 1 . 2]" 1
623 1 58 SER HA 1 59 GLY QA 4.350 . 7.000 4.026 4.005 4.092 . 0 0 "[ . 1 . 2]" 1
624 1 58 SER QB 1 59 GLY H 3.230 . 4.760 3.114 2.483 3.417 . 0 0 "[ . 1 . 2]" 1
625 1 58 SER QB 1 86 THR H 3.160 . 4.620 3.580 3.319 4.012 . 0 0 "[ . 1 . 2]" 1
626 1 58 SER QB 1 86 THR HB 2.900 . 4.090 2.707 1.935 3.573 . 0 0 "[ . 1 . 2]" 1
627 1 58 SER QB 1 86 THR MG 4.350 . 7.000 3.165 1.624 4.447 0.076 8 0 "[ . 1 . 2]" 1
628 1 59 GLY H 1 60 PRO HA 3.480 . 5.250 4.431 4.360 4.508 . 0 0 "[ . 1 . 2]" 1
629 1 59 GLY H 1 60 PRO QB 3.850 . 6.000 5.213 5.038 5.350 . 0 0 "[ . 1 . 2]" 1
630 1 59 GLY H 1 62 CYS H 3.360 . 5.020 4.902 4.789 5.045 0.025 7 0 "[ . 1 . 2]" 1
631 1 59 GLY H 1 62 CYS QB 4.010 . 6.330 4.066 3.861 4.255 . 0 0 "[ . 1 . 2]" 1
632 1 59 GLY H 1 85 CYS HA 4.350 . 7.000 5.187 4.974 5.366 . 0 0 "[ . 1 . 2]" 1
633 1 59 GLY QA 1 61 GLY H 4.350 . 7.000 2.840 2.810 2.871 . 0 0 "[ . 1 . 2]" 1
634 1 59 GLY QA 1 62 CYS H 2.330 . 2.960 2.732 2.703 2.777 . 0 0 "[ . 1 . 2]" 1
635 1 59 GLY QA 1 62 CYS QB 2.610 . 3.520 1.874 1.783 2.042 . 0 0 "[ . 1 . 2]" 1
636 1 59 GLY QA 1 85 CYS HA 2.550 . 3.400 2.967 2.719 3.081 . 0 0 "[ . 1 . 2]" 1
637 1 59 GLY QA 1 86 THR MG 4.350 . 7.000 4.868 4.006 5.208 . 0 0 "[ . 1 . 2]" 1
638 1 60 PRO HA 1 61 GLY H 4.350 . 7.000 3.358 3.316 3.373 . 0 0 "[ . 1 . 2]" 1
639 1 60 PRO HA 1 62 CYS H 3.150 . 4.590 4.462 4.236 4.612 0.022 17 0 "[ . 1 . 2]" 1
640 1 60 PRO QB 1 60 PRO QD 3.050 . 4.400 2.819 2.790 2.887 . 0 0 "[ . 1 . 2]" 1
641 1 60 PRO QB 1 61 GLY H 4.350 . 7.000 3.627 3.583 3.684 . 0 0 "[ . 1 . 2]" 1
642 1 60 PRO QG 1 61 GLY H 4.350 . 7.000 3.096 2.988 3.282 . 0 0 "[ . 1 . 2]" 1
643 1 61 GLY H 1 62 CYS H 4.350 . 7.000 2.042 1.916 2.155 . 0 0 "[ . 1 . 2]" 1
644 1 61 GLY QA 1 62 CYS H 2.890 . 4.080 2.798 2.746 2.856 . 0 0 "[ . 1 . 2]" 1
645 1 62 CYS H 1 62 CYS HA 2.990 . 4.280 2.894 2.887 2.902 . 0 0 "[ . 1 . 2]" 1
646 1 62 CYS H 1 62 CYS QB 2.730 . 3.770 2.058 2.005 2.120 . 0 0 "[ . 1 . 2]" 1
647 1 62 CYS H 1 63 LYS H 3.700 . 5.700 4.656 4.576 4.681 . 0 0 "[ . 1 . 2]" 1
648 1 62 CYS HA 1 63 LYS H 2.380 . 3.070 2.299 2.203 2.391 . 0 0 "[ . 1 . 2]" 1
649 1 62 CYS HA 1 84 GLY QA 2.600 . 3.500 3.103 2.876 3.175 . 0 0 "[ . 1 . 2]" 1
650 1 62 CYS HA 1 85 CYS H 3.180 . 4.660 4.629 4.238 4.746 0.086 20 0 "[ . 1 . 2]" 1
651 1 62 CYS QB 1 63 LYS H 3.870 . 6.040 3.587 3.457 3.829 . 0 0 "[ . 1 . 2]" 1
652 1 62 CYS QB 1 64 ILE H 4.350 . 7.000 5.430 5.202 5.668 . 0 0 "[ . 1 . 2]" 1
653 1 62 CYS QB 1 85 CYS H 4.350 . 7.000 4.380 4.178 4.598 . 0 0 "[ . 1 . 2]" 1
654 1 62 CYS QB 1 86 THR H 3.970 . 6.240 4.058 3.667 4.442 . 0 0 "[ . 1 . 2]" 1
655 1 63 LYS H 1 63 LYS QB 3.230 . 4.750 2.550 2.439 2.624 . 0 0 "[ . 1 . 2]" 1
656 1 63 LYS H 1 63 LYS QG 3.750 . 5.800 3.681 2.601 4.253 . 0 0 "[ . 1 . 2]" 1
657 1 63 LYS H 1 64 ILE H 3.430 . 5.160 4.038 3.926 4.162 . 0 0 "[ . 1 . 2]" 1
658 1 63 LYS H 1 82 ILE QG 4.050 . 6.410 3.879 3.216 4.474 . 0 0 "[ . 1 . 2]" 1
659 1 63 LYS H 1 83 SER H 2.840 . 3.980 2.675 2.287 3.107 . 0 0 "[ . 1 . 2]" 1
660 1 63 LYS H 1 83 SER HA 3.330 . 4.960 4.808 4.460 5.044 0.084 18 0 "[ . 1 . 2]" 1
661 1 63 LYS H 1 83 SER QB 3.520 . 5.340 3.264 2.694 3.849 . 0 0 "[ . 1 . 2]" 1
662 1 63 LYS H 1 84 GLY QA 3.940 . 6.170 4.356 4.044 4.608 . 0 0 "[ . 1 . 2]" 1
663 1 63 LYS H 1 85 CYS H 4.350 . 7.000 5.240 5.019 5.536 . 0 0 "[ . 1 . 2]" 1
664 1 63 LYS HA 1 63 LYS QD 4.350 . 7.000 3.101 2.092 3.879 . 0 0 "[ . 1 . 2]" 1
665 1 63 LYS HA 1 63 LYS QG 3.350 . 5.000 2.167 1.909 2.678 . 0 0 "[ . 1 . 2]" 1
666 1 63 LYS HA 1 64 ILE H 2.480 . 3.270 2.235 2.204 2.261 . 0 0 "[ . 1 . 2]" 1
667 1 63 LYS HA 1 64 ILE HA 4.350 . 7.000 4.504 4.486 4.527 . 0 0 "[ . 1 . 2]" 1
668 1 63 LYS QB 1 64 ILE H 3.500 . 5.300 3.711 3.490 3.926 . 0 0 "[ . 1 . 2]" 1
669 1 63 LYS QB 1 83 SER H 3.520 . 5.340 3.661 3.209 4.279 . 0 0 "[ . 1 . 2]" 1
670 1 63 LYS QB 1 83 SER QB 3.850 . 6.000 2.511 1.875 3.220 . 0 0 "[ . 1 . 2]" 1
671 1 63 LYS QD 1 83 SER QB 3.850 . 6.000 4.482 3.835 4.762 . 0 0 "[ . 1 . 2]" 1
672 1 63 LYS QG 1 64 ILE H 4.350 . 7.000 3.930 3.231 4.691 . 0 0 "[ . 1 . 2]" 1
673 1 63 LYS QG 1 83 SER QB 4.350 . 7.000 4.149 2.934 5.124 . 0 0 "[ . 1 . 2]" 1
674 1 64 ILE H 1 64 ILE HA 2.750 . 3.800 2.984 2.970 2.991 . 0 0 "[ . 1 . 2]" 1
675 1 64 ILE H 1 64 ILE HB 2.580 . 3.470 2.387 2.252 2.455 . 0 0 "[ . 1 . 2]" 1
676 1 64 ILE H 1 64 ILE MD 4.350 . 7.000 4.220 4.029 4.314 . 0 0 "[ . 1 . 2]" 1
677 1 64 ILE H 1 64 ILE QG 3.850 . 6.000 3.961 3.816 4.007 . 0 0 "[ . 1 . 2]" 1
678 1 64 ILE H 1 65 SER H 3.640 . 5.580 4.577 4.542 4.606 . 0 0 "[ . 1 . 2]" 1
679 1 64 ILE HA 1 64 ILE HB 2.810 . 3.910 2.679 2.636 2.777 . 0 0 "[ . 1 . 2]" 1
680 1 64 ILE HA 1 64 ILE MD 3.270 . 4.830 3.625 3.399 3.741 . 0 0 "[ . 1 . 2]" 1
681 1 64 ILE HA 1 64 ILE QG 3.180 . 4.660 2.144 2.018 2.234 . 0 0 "[ . 1 . 2]" 1
682 1 64 ILE HA 1 64 ILE MG 3.020 . 4.340 3.150 3.077 3.168 . 0 0 "[ . 1 . 2]" 1
683 1 64 ILE HA 1 65 SER H 2.310 . 2.920 2.496 2.335 2.610 . 0 0 "[ . 1 . 2]" 1
684 1 64 ILE HA 1 65 SER QB 4.350 . 7.000 3.776 3.673 4.024 . 0 0 "[ . 1 . 2]" 1
685 1 64 ILE HA 1 83 SER H 2.850 . 4.000 3.786 3.286 4.024 0.024 11 0 "[ . 1 . 2]" 1
686 1 64 ILE HB 1 64 ILE MD 3.380 . 5.060 2.182 1.963 2.377 . 0 0 "[ . 1 . 2]" 1
687 1 64 ILE HB 1 65 SER H 3.370 . 5.040 4.085 3.965 4.262 . 0 0 "[ . 1 . 2]" 1
688 1 64 ILE MD 1 65 SER H 4.350 . 7.000 3.877 3.710 4.021 . 0 0 "[ . 1 . 2]" 1
689 1 64 ILE MD 1 66 THR H 3.850 . 6.000 4.983 4.468 5.070 . 0 0 "[ . 1 . 2]" 1
690 1 64 ILE MD 1 81 LYS H 4.350 . 7.000 5.437 4.826 5.851 . 0 0 "[ . 1 . 2]" 1
691 1 64 ILE MD 1 85 CYS QB 3.850 . 6.000 4.249 3.781 4.476 . 0 0 "[ . 1 . 2]" 1
692 1 64 ILE QG 1 65 SER H 3.020 . 4.340 2.150 1.929 2.488 . 0 0 "[ . 1 . 2]" 1
693 1 64 ILE QG 1 65 SER HA 3.850 . 6.000 4.424 4.262 4.798 . 0 0 "[ . 1 . 2]" 1
694 1 64 ILE QG 1 65 SER QB 4.350 . 7.000 4.237 4.073 4.573 . 0 0 "[ . 1 . 2]" 1
695 1 64 ILE QG 1 66 THR H 4.350 . 7.000 4.183 3.169 4.949 . 0 0 "[ . 1 . 2]" 1
696 1 64 ILE QG 1 67 CYS H 3.850 . 6.000 4.438 3.231 5.316 . 0 0 "[ . 1 . 2]" 1
697 1 64 ILE QG 1 67 CYS QB 3.100 . 4.500 3.157 2.286 3.659 . 0 0 "[ . 1 . 2]" 1
698 1 64 ILE QG 1 77 SER QB 4.350 . 7.000 5.245 3.193 5.620 . 0 0 "[ . 1 . 2]" 1
699 1 64 ILE QG 1 81 LYS H 4.350 . 7.000 4.121 3.615 4.468 . 0 0 "[ . 1 . 2]" 1
700 1 64 ILE MG 1 65 SER H 3.750 . 5.790 2.704 2.535 3.043 . 0 0 "[ . 1 . 2]" 1
701 1 65 SER H 1 65 SER QB 3.080 . 4.460 2.578 2.492 2.684 . 0 0 "[ . 1 . 2]" 1
702 1 65 SER H 1 66 THR H 4.350 . 7.000 3.557 2.873 3.957 . 0 0 "[ . 1 . 2]" 1
703 1 65 SER H 1 81 LYS H 2.930 . 4.160 3.333 2.876 3.771 . 0 0 "[ . 1 . 2]" 1
704 1 65 SER H 1 81 LYS QB 3.310 . 4.920 3.300 2.543 4.118 . 0 0 "[ . 1 . 2]" 1
705 1 65 SER H 1 81 LYS QD 4.350 . 7.000 5.464 4.427 6.240 . 0 0 "[ . 1 . 2]" 1
706 1 65 SER H 1 82 ILE QG 4.100 . 6.500 5.518 5.156 5.824 . 0 0 "[ . 1 . 2]" 1
707 1 65 SER H 1 82 ILE MG 4.350 . 7.000 5.604 4.985 5.845 . 0 0 "[ . 1 . 2]" 1
708 1 65 SER HA 1 66 THR H 2.830 . 3.950 2.360 2.227 2.670 . 0 0 "[ . 1 . 2]" 1
709 1 65 SER HA 1 66 THR HA 3.470 . 5.240 4.590 4.510 4.740 . 0 0 "[ . 1 . 2]" 1
710 1 65 SER HA 1 66 THR MG 4.350 . 7.000 3.627 2.893 5.281 . 0 0 "[ . 1 . 2]" 1
711 1 65 SER QB 1 66 THR H 4.020 . 6.350 3.997 3.799 4.073 . 0 0 "[ . 1 . 2]" 1
712 1 65 SER QB 1 81 LYS HA 3.230 . 4.760 4.144 3.820 4.297 . 0 0 "[ . 1 . 2]" 1
713 1 65 SER QB 1 81 LYS QB 3.540 . 5.380 1.784 1.635 1.925 0.065 16 0 "[ . 1 . 2]" 1
714 1 65 SER QB 1 81 LYS QD 3.850 . 6.000 3.816 2.811 4.538 . 0 0 "[ . 1 . 2]" 1
715 1 65 SER QB 1 83 SER H 4.350 . 7.000 6.172 5.829 6.260 . 0 0 "[ . 1 . 2]" 1
716 1 66 THR H 1 66 THR HA 2.710 . 3.710 2.360 2.345 2.368 . 0 0 "[ . 1 . 2]" 1
717 1 66 THR H 1 66 THR HB 3.760 . 5.820 3.920 3.666 4.018 . 0 0 "[ . 1 . 2]" 1
718 1 66 THR H 1 66 THR MG 3.850 . 6.000 2.632 2.121 3.938 . 0 0 "[ . 1 . 2]" 1
719 1 66 THR H 1 67 CYS H 3.110 . 4.520 3.703 3.077 4.260 . 0 0 "[ . 1 . 2]" 1
720 1 66 THR HA 1 66 THR HB 2.710 . 3.710 2.521 2.321 3.021 . 0 0 "[ . 1 . 2]" 1
721 1 66 THR HA 1 66 THR MG 2.720 . 3.740 2.383 2.049 2.586 . 0 0 "[ . 1 . 2]" 1
722 1 66 THR HA 1 67 CYS H 2.860 . 4.020 2.420 2.195 3.595 . 0 0 "[ . 1 . 2]" 1
723 1 66 THR MG 1 67 CYS H 4.350 . 7.000 4.033 3.006 4.380 . 0 0 "[ . 1 . 2]" 1
724 1 67 CYS H 1 67 CYS QB 3.390 . 5.080 2.531 1.967 3.454 . 0 0 "[ . 1 . 2]" 1
725 1 67 CYS HA 1 80 CYS H 3.450 . 5.200 4.820 3.551 5.239 0.039 20 0 "[ . 1 . 2]" 1
726 1 67 CYS HA 1 80 CYS QB 2.910 . 4.120 2.665 1.827 3.235 . 0 0 "[ . 1 . 2]" 1
727 1 70 THR H 1 70 THR HB 3.170 . 4.640 2.984 2.557 3.416 . 0 0 "[ . 1 . 2]" 1
728 1 70 THR H 1 70 THR MG 3.850 . 6.000 3.506 1.897 3.986 . 0 0 "[ . 1 . 2]" 1
729 1 70 THR HB 1 72 GLY QA 4.350 . 7.000 5.542 4.557 6.243 . 0 0 "[ . 1 . 2]" 1
730 1 70 THR MG 1 71 GLY QA 3.810 . 5.910 3.847 3.427 4.296 . 0 0 "[ . 1 . 2]" 1
731 1 71 GLY H 1 72 GLY H 4.350 . 7.000 3.083 1.867 4.340 . 0 0 "[ . 1 . 2]" 1
732 1 71 GLY QA 1 72 GLY H 3.000 . 4.290 2.569 2.234 2.842 . 0 0 "[ . 1 . 2]" 1
733 1 71 GLY QA 1 89 ALA MB 3.390 . 5.080 3.734 3.233 3.841 . 0 0 "[ . 1 . 2]" 1
734 1 72 GLY H 1 72 GLY QA 2.670 . 3.630 2.325 2.225 2.460 . 0 0 "[ . 1 . 2]" 1
735 1 72 GLY H 1 73 VAL H 3.030 . 4.360 2.877 2.265 3.667 . 0 0 "[ . 1 . 2]" 1
736 1 72 GLY H 1 73 VAL QG 4.080 . 6.460 3.228 2.803 3.984 . 0 0 "[ . 1 . 2]" 1
737 1 72 GLY QA 1 73 VAL H 3.690 . 5.670 2.514 2.159 2.886 . 0 0 "[ . 1 . 2]" 1
738 1 72 GLY QA 1 73 VAL QG 3.570 . 5.440 3.331 3.189 3.609 . 0 0 "[ . 1 . 2]" 1
739 1 72 GLY QA 1 87 PHE QB 3.480 . 5.260 3.941 3.132 4.236 . 0 0 "[ . 1 . 2]" 1
740 1 72 GLY QA 1 88 SER H 4.080 . 6.460 3.852 3.247 4.485 . 0 0 "[ . 1 . 2]" 1
741 1 72 GLY QA 1 88 SER HA 4.350 . 7.000 3.491 2.279 4.303 . 0 0 "[ . 1 . 2]" 1
742 1 72 GLY QA 1 89 ALA HA 3.690 . 5.670 2.883 1.994 3.569 . 0 0 "[ . 1 . 2]" 1
743 1 72 GLY QA 1 89 ALA MB 3.440 . 5.170 2.710 1.793 3.699 . 0 0 "[ . 1 . 2]" 1
744 1 73 VAL H 1 73 VAL HA 2.970 . 4.240 2.977 2.944 3.005 . 0 0 "[ . 1 . 2]" 1
745 1 73 VAL H 1 73 VAL HB 2.670 . 3.640 3.344 2.304 3.694 0.054 19 0 "[ . 1 . 2]" 1
746 1 73 VAL H 1 73 VAL QG 3.540 . 5.370 1.883 1.766 2.342 . 0 0 "[ . 1 . 2]" 1
747 1 73 VAL HA 1 73 VAL HB 2.750 . 3.810 2.594 2.406 3.038 . 0 0 "[ . 1 . 2]" 1
748 1 74 PRO QB 1 78 ALA MB 4.350 . 7.000 5.059 4.293 5.252 . 0 0 "[ . 1 . 2]" 1
749 1 76 PRO HA 1 76 PRO QD 3.590 . 5.480 3.410 3.377 3.457 . 0 0 "[ . 1 . 2]" 1
750 1 76 PRO HA 1 77 SER H 2.830 . 3.950 2.997 2.260 3.592 . 0 0 "[ . 1 . 2]" 1
751 1 76 PRO QB 1 76 PRO QD 2.670 . 3.640 2.824 2.779 2.870 . 0 0 "[ . 1 . 2]" 1
752 1 76 PRO QB 1 77 SER H 4.010 . 6.330 3.480 2.716 4.023 . 0 0 "[ . 1 . 2]" 1
753 1 77 SER H 1 78 ALA MB 4.350 . 7.000 4.242 3.794 5.261 . 0 0 "[ . 1 . 2]" 1
754 1 77 SER H 1 80 CYS H 4.350 . 7.000 5.583 4.938 6.145 . 0 0 "[ . 1 . 2]" 1
755 1 77 SER H 1 80 CYS QB 4.100 . 6.500 5.468 4.799 5.844 . 0 0 "[ . 1 . 2]" 1
756 1 77 SER HA 1 78 ALA H 4.350 . 7.000 3.137 2.506 3.610 . 0 0 "[ . 1 . 2]" 1
757 1 77 SER HA 1 78 ALA MB 4.350 . 7.000 4.380 3.920 4.851 . 0 0 "[ . 1 . 2]" 1
758 1 77 SER HA 1 79 ALA MB 2.990 . 4.280 3.623 3.595 3.677 . 0 0 "[ . 1 . 2]" 1
759 1 77 SER HA 1 80 CYS H 3.960 . 6.220 3.559 3.014 4.214 . 0 0 "[ . 1 . 2]" 1
760 1 77 SER HA 1 80 CYS QB 4.350 . 7.000 3.681 3.190 4.820 . 0 0 "[ . 1 . 2]" 1
761 1 77 SER QB 1 78 ALA H 4.350 . 7.000 3.638 2.953 4.039 . 0 0 "[ . 1 . 2]" 1
762 1 77 SER QB 1 79 ALA H 4.350 . 7.000 3.934 2.438 4.564 . 0 0 "[ . 1 . 2]" 1
763 1 77 SER QB 1 80 CYS H 3.680 . 5.660 3.396 2.396 4.641 . 0 0 "[ . 1 . 2]" 1
764 1 77 SER QB 1 80 CYS QB 3.890 . 6.080 2.610 1.903 4.840 . 0 0 "[ . 1 . 2]" 1
765 1 78 ALA H 1 79 ALA H 4.350 . 7.000 2.724 2.563 2.826 . 0 0 "[ . 1 . 2]" 1
766 1 78 ALA H 1 79 ALA MB 4.350 . 7.000 4.263 4.029 4.515 . 0 0 "[ . 1 . 2]" 1
767 1 78 ALA HA 1 79 ALA H 4.350 . 7.000 3.374 3.022 3.497 . 0 0 "[ . 1 . 2]" 1
768 1 78 ALA MB 1 79 ALA H 3.850 . 6.000 2.988 2.688 3.548 . 0 0 "[ . 1 . 2]" 1
769 1 78 ALA MB 1 80 CYS H 4.350 . 7.000 4.850 4.230 5.405 . 0 0 "[ . 1 . 2]" 1
770 1 79 ALA H 1 79 ALA MB 3.170 . 4.640 2.134 1.924 2.642 . 0 0 "[ . 1 . 2]" 1
771 1 79 ALA H 1 80 CYS H 3.070 . 4.440 2.588 2.267 2.981 . 0 0 "[ . 1 . 2]" 1
772 1 79 ALA H 1 80 CYS QB 4.350 . 7.000 4.213 3.924 4.796 . 0 0 "[ . 1 . 2]" 1
773 1 79 ALA HA 1 79 ALA MB 2.460 . 3.230 2.143 2.124 2.163 . 0 0 "[ . 1 . 2]" 1
774 1 79 ALA HA 1 80 CYS H 2.940 . 4.170 3.502 3.262 3.581 . 0 0 "[ . 1 . 2]" 1
775 1 79 ALA HA 1 81 LYS QE 3.290 . 4.870 4.156 3.264 4.391 . 0 0 "[ . 1 . 2]" 1
776 1 79 ALA MB 1 80 CYS H 3.020 . 4.340 2.446 1.881 3.303 . 0 0 "[ . 1 . 2]" 1
777 1 79 ALA MB 1 80 CYS HA 4.350 . 7.000 3.873 3.745 4.043 . 0 0 "[ . 1 . 2]" 1
778 1 79 ALA MB 1 80 CYS QB 4.350 . 7.000 3.691 3.290 4.259 . 0 0 "[ . 1 . 2]" 1
779 1 80 CYS H 1 80 CYS HA 2.870 . 4.040 2.894 2.858 2.943 . 0 0 "[ . 1 . 2]" 1
780 1 80 CYS H 1 80 CYS QB 2.600 . 3.500 2.167 2.071 2.366 . 0 0 "[ . 1 . 2]" 1
781 1 80 CYS H 1 81 LYS H 3.490 . 5.280 4.613 4.417 4.684 . 0 0 "[ . 1 . 2]" 1
782 1 80 CYS HA 1 81 LYS H 2.330 . 2.960 2.523 2.293 2.894 . 0 0 "[ . 1 . 2]" 1
783 1 80 CYS HA 1 81 LYS QB 4.350 . 7.000 4.192 3.826 4.749 . 0 0 "[ . 1 . 2]" 1
784 1 80 CYS QB 1 81 LYS H 3.490 . 5.280 3.058 1.951 3.608 . 0 0 "[ . 1 . 2]" 1
785 1 81 LYS H 1 81 LYS HA 2.790 . 3.870 2.991 2.978 3.003 . 0 0 "[ . 1 . 2]" 1
786 1 81 LYS H 1 81 LYS QB 3.120 . 4.540 2.281 2.107 2.630 . 0 0 "[ . 1 . 2]" 1
787 1 81 LYS H 1 81 LYS QD 3.570 . 5.440 3.080 1.993 4.285 . 0 0 "[ . 1 . 2]" 1
788 1 81 LYS H 1 81 LYS QG 4.350 . 7.000 3.455 2.069 4.175 . 0 0 "[ . 1 . 2]" 1
789 1 81 LYS H 1 82 ILE H 3.170 . 4.640 4.217 3.871 4.522 . 0 0 "[ . 1 . 2]" 1
790 1 81 LYS HA 1 81 LYS QD 3.850 . 6.000 2.638 1.851 3.395 . 0 0 "[ . 1 . 2]" 1
791 1 81 LYS HA 1 81 LYS QG 3.790 . 5.880 2.380 1.969 3.092 . 0 0 "[ . 1 . 2]" 1
792 1 81 LYS HA 1 82 ILE H 2.220 . 2.740 2.250 2.203 2.399 . 0 0 "[ . 1 . 2]" 1
793 1 81 LYS QB 1 81 LYS QD 3.150 . 4.600 2.231 1.942 2.779 . 0 0 "[ . 1 . 2]" 1
794 1 81 LYS QB 1 82 ILE H 3.270 . 4.830 3.670 3.221 3.898 . 0 0 "[ . 1 . 2]" 1
795 1 81 LYS QB 1 82 ILE HA 3.770 . 5.840 4.226 4.055 4.321 . 0 0 "[ . 1 . 2]" 1
796 1 81 LYS QD 1 82 ILE H 3.740 . 5.780 4.592 3.788 5.173 . 0 0 "[ . 1 . 2]" 1
797 1 81 LYS QG 1 82 ILE H 4.350 . 7.000 4.114 3.306 4.891 . 0 0 "[ . 1 . 2]" 1
798 1 82 ILE H 1 82 ILE HB 2.390 . 3.080 3.036 2.761 3.131 0.051 16 0 "[ . 1 . 2]" 1
799 1 82 ILE H 1 82 ILE MD 3.750 . 5.790 3.998 3.511 4.499 . 0 0 "[ . 1 . 2]" 1
800 1 82 ILE H 1 82 ILE QG 3.580 . 5.460 4.153 4.072 4.214 . 0 0 "[ . 1 . 2]" 1
801 1 82 ILE H 1 82 ILE MG 3.500 . 5.290 1.996 1.823 2.163 . 0 0 "[ . 1 . 2]" 1
802 1 82 ILE H 1 83 SER H 3.450 . 5.200 4.460 4.220 4.539 . 0 0 "[ . 1 . 2]" 1
803 1 82 ILE HA 1 82 ILE HB 2.830 . 3.950 2.477 2.387 2.581 . 0 0 "[ . 1 . 2]" 1
804 1 82 ILE HA 1 82 ILE MD 3.850 . 6.000 2.927 1.940 3.475 . 0 0 "[ . 1 . 2]" 1
805 1 82 ILE HA 1 82 ILE QG 3.150 . 4.600 2.470 2.144 2.915 . 0 0 "[ . 1 . 2]" 1
806 1 82 ILE HA 1 83 SER H 2.520 . 3.330 2.329 2.213 2.409 . 0 0 "[ . 1 . 2]" 1
807 1 82 ILE HA 1 83 SER QB 4.350 . 7.000 3.994 3.757 4.569 . 0 0 "[ . 1 . 2]" 1
808 1 82 ILE HB 1 82 ILE MD 2.850 . 4.000 2.685 1.900 3.198 . 0 0 "[ . 1 . 2]" 1
809 1 82 ILE HB 1 82 ILE QG 2.600 . 3.500 2.317 2.182 2.540 . 0 0 "[ . 1 . 2]" 1
810 1 82 ILE MD 1 82 ILE MG 3.540 . 5.380 2.313 1.569 3.229 0.131 17 0 "[ . 1 . 2]" 1
811 1 82 ILE MD 1 83 SER H 4.100 . 6.500 2.716 1.872 4.441 . 0 0 "[ . 1 . 2]" 1
812 1 82 ILE MD 1 83 SER HA 4.350 . 7.000 3.784 2.527 5.816 . 0 0 "[ . 1 . 2]" 1
813 1 82 ILE QG 1 83 SER H 2.940 . 4.170 2.243 1.907 2.828 . 0 0 "[ . 1 . 2]" 1
814 1 82 ILE QG 1 83 SER HA 3.290 . 4.880 4.084 3.726 4.391 . 0 0 "[ . 1 . 2]" 1
815 1 82 ILE QG 1 83 SER QB 3.850 . 6.000 4.456 4.190 4.790 . 0 0 "[ . 1 . 2]" 1
816 1 82 ILE QG 1 84 GLY H 4.350 . 7.000 4.270 3.710 4.867 . 0 0 "[ . 1 . 2]" 1
817 1 82 ILE QG 1 85 CYS H 3.220 . 4.740 3.603 3.088 4.233 . 0 0 "[ . 1 . 2]" 1
818 1 82 ILE QG 1 85 CYS QB 3.040 . 4.380 1.955 1.692 2.639 0.008 20 0 "[ . 1 . 2]" 1
819 1 82 ILE QG 1 87 PHE QE 2.330 . 2.950 2.281 1.965 2.382 . 0 0 "[ . 1 . 2]" 1
820 1 82 ILE MG 1 83 SER H 4.350 . 7.000 3.719 3.450 3.982 . 0 0 "[ . 1 . 2]" 1
821 1 83 SER H 1 83 SER HA 2.840 . 3.980 2.973 2.953 2.994 . 0 0 "[ . 1 . 2]" 1
822 1 83 SER H 1 83 SER QB 3.140 . 4.580 2.636 2.465 3.087 . 0 0 "[ . 1 . 2]" 1
823 1 83 SER H 1 84 GLY H 2.980 . 4.250 3.913 3.380 4.265 0.015 9 0 "[ . 1 . 2]" 1
824 1 83 SER HA 1 84 GLY H 3.370 . 5.040 2.265 2.200 2.452 . 0 0 "[ . 1 . 2]" 1
825 1 83 SER QB 1 84 GLY H 4.350 . 7.000 3.804 3.374 4.060 . 0 0 "[ . 1 . 2]" 1
826 1 84 GLY H 1 85 CYS H 3.440 . 5.170 2.687 2.358 3.092 . 0 0 "[ . 1 . 2]" 1
827 1 84 GLY QA 1 85 CYS H 2.790 . 3.880 2.610 2.530 2.701 . 0 0 "[ . 1 . 2]" 1
828 1 85 CYS H 1 85 CYS QB 2.820 . 3.940 2.539 2.372 2.694 . 0 0 "[ . 1 . 2]" 1
829 1 85 CYS H 1 86 THR H 3.810 . 5.910 4.461 4.405 4.507 . 0 0 "[ . 1 . 2]" 1
830 1 85 CYS H 1 86 THR MG 4.350 . 7.000 5.470 5.043 5.830 . 0 0 "[ . 1 . 2]" 1
831 1 85 CYS HA 1 86 THR H 2.480 . 3.270 2.335 2.235 2.493 . 0 0 "[ . 1 . 2]" 1
832 1 85 CYS HA 1 86 THR HB 4.350 . 7.000 5.095 4.326 5.558 . 0 0 "[ . 1 . 2]" 1
833 1 85 CYS QB 1 86 THR H 3.060 . 4.410 2.978 2.459 3.295 . 0 0 "[ . 1 . 2]" 1
834 1 86 THR H 1 86 THR HA 2.840 . 3.980 2.995 2.986 3.004 . 0 0 "[ . 1 . 2]" 1
835 1 86 THR H 1 86 THR HB 2.700 . 3.700 3.080 2.829 3.379 . 0 0 "[ . 1 . 2]" 1
836 1 86 THR H 1 86 THR MG 3.710 . 5.710 3.419 1.846 3.937 . 0 0 "[ . 1 . 2]" 1
837 1 86 THR HA 1 86 THR HB 2.710 . 3.710 2.845 2.476 2.989 . 0 0 "[ . 1 . 2]" 1
838 1 86 THR HA 1 87 PHE H 2.150 . 2.590 2.380 2.229 2.486 . 0 0 "[ . 1 . 2]" 1
839 1 86 THR HB 1 87 PHE H 2.930 . 4.160 3.447 2.867 4.181 0.021 14 0 "[ . 1 . 2]" 1
840 1 86 THR MG 1 87 PHE H 3.230 . 4.750 2.954 2.332 3.585 . 0 0 "[ . 1 . 2]" 1
841 1 86 THR MG 1 87 PHE HA 4.350 . 7.000 4.582 3.525 5.199 . 0 0 "[ . 1 . 2]" 1
842 1 86 THR MG 1 87 PHE QB 4.350 . 7.000 4.917 4.462 5.202 . 0 0 "[ . 1 . 2]" 1
843 1 87 PHE H 1 87 PHE HA 2.900 . 4.100 2.988 2.961 3.003 . 0 0 "[ . 1 . 2]" 1
844 1 87 PHE H 1 87 PHE QB 2.790 . 3.880 2.828 2.533 3.272 . 0 0 "[ . 1 . 2]" 1
845 1 87 PHE HA 1 88 SER H 2.400 . 3.090 2.338 2.217 2.445 . 0 0 "[ . 1 . 2]" 1
846 1 87 PHE QB 1 87 PHE QD 2.640 . 3.580 2.177 2.153 2.242 . 0 0 "[ . 1 . 2]" 1
847 1 87 PHE QB 1 88 SER H 3.060 . 4.420 2.816 2.549 3.129 . 0 0 "[ . 1 . 2]" 1
848 1 88 SER H 1 88 SER HA 2.770 . 3.850 2.871 2.809 2.924 . 0 0 "[ . 1 . 2]" 1
849 1 88 SER H 1 88 SER QB 3.550 . 5.400 2.972 2.782 3.440 . 0 0 "[ . 1 . 2]" 1
850 1 88 SER HA 1 89 ALA H 2.270 . 2.830 2.342 2.202 2.877 0.047 10 0 "[ . 1 . 2]" 1
851 1 88 SER HA 1 89 ALA MB 3.850 . 6.000 3.832 3.513 4.019 . 0 0 "[ . 1 . 2]" 1
852 1 88 SER QB 1 89 ALA H 3.120 . 4.540 3.731 3.273 4.026 . 0 0 "[ . 1 . 2]" 1
853 1 89 ALA H 1 89 ALA HA 2.770 . 3.830 2.630 2.360 2.771 . 0 0 "[ . 1 . 2]" 1
854 1 89 ALA H 1 89 ALA MB 2.680 . 3.660 2.250 1.949 2.851 . 0 0 "[ . 1 . 2]" 1
855 1 89 ALA H 1 90 ASN H 4.350 . 7.000 4.621 4.312 4.715 . 0 0 "[ . 1 . 2]" 1
856 1 89 ALA HA 1 89 ALA MB 2.470 . 3.240 2.121 2.106 2.152 . 0 0 "[ . 1 . 2]" 1
857 1 89 ALA HA 1 90 ASN H 2.310 . 2.930 2.331 2.199 2.775 . 0 0 "[ . 1 . 2]" 1
858 1 89 ALA MB 1 90 ASN H 2.830 . 3.960 2.893 2.085 3.294 . 0 0 "[ . 1 . 2]" 1
859 1 90 ASN H 1 90 ASN HA 2.840 . 3.980 2.980 2.878 3.003 . 0 0 "[ . 1 . 2]" 1
860 1 90 ASN H 1 90 ASN QB 2.880 . 4.050 2.441 2.124 3.065 . 0 0 "[ . 1 . 2]" 1
861 1 90 ASN QB 1 90 ASN HD21 2.730 . 3.760 2.394 2.212 2.753 . 0 0 "[ . 1 . 2]" 1
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