NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429132 |
2iz4   |
7243 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2iz4
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 1393
_Distance_constraint_stats_list.Viol_count 1586
_Distance_constraint_stats_list.Viol_total 1677.262
_Distance_constraint_stats_list.Viol_max 0.590
_Distance_constraint_stats_list.Viol_rms 0.0462
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.1058
_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 4 GLN 1.815 0.314 8 0 "[ . 1]"
1 5 CYS 3.004 0.314 8 0 "[ . 1]"
1 6 TYR 3.282 0.321 1 0 "[ . 1]"
1 7 PHE 0.145 0.062 8 0 "[ . 1]"
1 8 ILE 4.321 0.321 1 0 "[ . 1]"
1 9 PRO 2.557 0.272 4 0 "[ . 1]"
1 10 ASN 3.618 0.286 1 0 "[ . 1]"
1 11 GLN 3.191 0.390 8 0 "[ . 1]"
1 12 SER 0.758 0.155 10 0 "[ . 1]"
1 13 LEU 1.675 0.340 5 0 "[ . 1]"
1 14 LYS 2.657 0.243 9 0 "[ . 1]"
1 15 PRO 0.060 0.051 3 0 "[ . 1]"
1 16 ASN 1.397 0.347 6 0 "[ . 1]"
1 17 GLU 3.375 0.246 6 0 "[ . 1]"
1 18 CYS 4.407 0.238 10 0 "[ . 1]"
1 19 GLN 5.129 0.340 5 0 "[ . 1]"
1 20 ASP 1.262 0.255 6 0 "[ . 1]"
1 21 LEU 1.848 0.432 5 0 "[ . 1]"
1 22 LYS 4.629 0.318 1 0 "[ . 1]"
1 23 GLY 2.883 0.432 5 0 "[ . 1]"
1 24 VAL 1.342 0.420 7 0 "[ . 1]"
1 25 SER 1.990 0.234 9 0 "[ . 1]"
1 26 HIS 2.240 0.168 6 0 "[ . 1]"
1 27 PRO 0.000 0.000 . 0 "[ . 1]"
1 28 LEU 4.532 0.347 6 0 "[ . 1]"
1 29 ASN 1.769 0.172 8 0 "[ . 1]"
1 30 SER 5.697 0.498 7 0 "[ . 1]"
1 31 VAL 1.251 0.243 4 0 "[ . 1]"
1 32 TRP 7.140 0.337 3 0 "[ . 1]"
1 33 LYS 4.802 0.284 7 0 "[ . 1]"
1 34 THR 1.225 0.179 7 0 "[ . 1]"
1 35 LYS 0.523 0.129 4 0 "[ . 1]"
1 36 ASP 3.018 0.314 4 0 "[ . 1]"
1 37 CYS 2.381 0.320 1 0 "[ . 1]"
1 38 GLU 2.654 0.239 8 0 "[ . 1]"
1 39 GLU 2.068 0.393 9 0 "[ . 1]"
1 40 CYS 6.999 0.393 9 0 "[ . 1]"
1 41 THR 11.012 0.498 7 0 "[ . 1]"
1 42 CYS 7.805 0.363 7 0 "[ . 1]"
1 43 GLY 1.628 0.173 1 0 "[ . 1]"
1 44 GLN 2.502 0.477 2 0 "[ . 1]"
1 45 ASP 0.829 0.104 7 0 "[ . 1]"
1 46 ALA 2.741 0.268 3 0 "[ . 1]"
1 47 ILE 2.737 0.172 6 0 "[ . 1]"
1 48 SER 4.137 0.217 10 0 "[ . 1]"
1 49 CYS 3.005 0.230 7 0 "[ . 1]"
1 50 CYS 3.775 0.324 9 0 "[ . 1]"
1 51 ASN 2.547 0.203 5 0 "[ . 1]"
1 52 THR 2.057 0.141 6 0 "[ . 1]"
1 53 ALA 4.208 0.283 4 0 "[ . 1]"
1 54 ALA 3.629 0.217 4 0 "[ . 1]"
1 55 ILE 4.180 0.215 4 0 "[ . 1]"
1 56 PRO 3.873 0.193 1 0 "[ . 1]"
1 57 THR 5.105 0.322 5 0 "[ . 1]"
1 58 GLY 0.086 0.055 3 0 "[ . 1]"
1 59 TYR 8.634 0.469 7 0 "[ . 1]"
1 60 ASP 2.720 0.288 5 0 "[ . 1]"
1 61 THR 2.875 0.201 6 0 "[ . 1]"
1 62 ASN 2.014 0.208 5 0 "[ . 1]"
1 63 LYS 1.370 0.218 3 0 "[ . 1]"
1 64 CYS 8.654 0.351 10 0 "[ . 1]"
1 65 GLN 5.807 0.283 8 0 "[ . 1]"
1 66 LYS 2.234 0.283 8 0 "[ . 1]"
1 67 ILE 2.057 0.468 4 0 "[ . 1]"
1 68 LEU 2.953 0.478 8 0 "[ . 1]"
1 69 ASN 4.509 0.478 8 0 "[ . 1]"
1 70 LYS 9.106 0.590 4 5 "[ -+*** 1]"
1 71 LYS 1.409 0.335 4 0 "[ . 1]"
1 72 THR 6.893 0.489 7 0 "[ . 1]"
1 73 CYS 5.332 0.590 4 5 "[ -+*** 1]"
1 74 THR 1.960 0.176 1 0 "[ . 1]"
1 75 TYR 3.400 0.217 4 0 "[ . 1]"
1 76 THR 0.815 0.174 9 0 "[ . 1]"
1 77 VAL 2.733 0.295 8 0 "[ . 1]"
1 78 VAL 3.943 0.347 6 0 "[ . 1]"
1 79 GLU 6.834 0.377 3 0 "[ . 1]"
1 80 LYS 5.686 0.351 10 0 "[ . 1]"
1 81 LYS 2.109 0.309 10 0 "[ . 1]"
1 82 ASP 6.195 0.377 3 0 "[ . 1]"
1 83 PRO 0.750 0.341 6 0 "[ . 1]"
1 84 GLY 0.535 0.177 8 0 "[ . 1]"
1 85 LYS 5.256 0.356 8 0 "[ . 1]"
1 86 THR 5.701 0.356 8 0 "[ . 1]"
1 87 CYS 6.891 0.469 7 0 "[ . 1]"
1 88 ASP 5.292 0.385 7 0 "[ . 1]"
1 89 VAL 5.500 0.288 5 0 "[ . 1]"
1 90 THR 4.990 0.350 8 0 "[ . 1]"
1 91 GLY 3.054 0.322 5 0 "[ . 1]"
1 92 TRP 6.527 0.245 2 0 "[ . 1]"
1 93 VAL 3.704 0.425 1 0 "[ . 1]"
1 94 LEU 1.002 0.118 4 0 "[ . 1]"
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 4 GLN H 1 4 GLN QB 2.690 . 3.570 2.377 2.101 2.586 . 0 0 "[ . 1]" 1
2 1 4 GLN H 1 4 GLN QG 2.620 . 3.440 2.981 1.962 3.616 0.176 5 0 "[ . 1]" 1
3 1 4 GLN H 1 5 CYS H 2.940 . 4.080 2.501 1.894 3.413 . 0 0 "[ . 1]" 1
4 1 4 GLN HA 1 5 CYS H 2.490 . 3.180 3.239 2.633 3.494 0.314 8 0 "[ . 1]" 1
5 1 4 GLN QB 1 5 CYS H 3.040 . 4.280 3.335 2.635 3.937 . 0 0 "[ . 1]" 1
6 1 4 GLN QB 1 5 CYS HA 3.570 . 5.340 4.176 3.974 4.373 . 0 0 "[ . 1]" 1
7 1 4 GLN QE 1 55 ILE MD 3.030 . 4.260 3.113 1.757 4.360 0.100 7 0 "[ . 1]" 1
8 1 4 GLN QE 1 55 ILE MG 3.570 . 5.340 3.807 2.386 5.281 . 0 0 "[ . 1]" 1
9 1 4 GLN QE 1 93 VAL QG 3.530 . 5.260 4.511 3.055 5.339 0.079 1 0 "[ . 1]" 1
10 1 4 GLN QG 1 5 CYS H 3.340 . 4.880 4.520 4.096 4.876 . 0 0 "[ . 1]" 1
11 1 5 CYS H 1 5 CYS HB2 2.700 . 3.600 2.715 2.621 2.818 . 0 0 "[ . 1]" 1
12 1 5 CYS H 1 5 CYS HB3 2.850 . 3.900 3.708 3.617 3.843 . 0 0 "[ . 1]" 1
13 1 5 CYS H 1 6 TYR H 3.310 . 4.820 4.507 4.431 4.575 . 0 0 "[ . 1]" 1
14 1 5 CYS H 1 50 CYS HA 3.480 . 5.160 5.023 4.884 5.152 . 0 0 "[ . 1]" 1
15 1 5 CYS HA 1 6 TYR H 2.380 . 2.960 2.500 2.404 2.588 . 0 0 "[ . 1]" 1
16 1 5 CYS HA 1 6 TYR QD 3.220 . 4.640 3.110 2.556 3.382 . 0 0 "[ . 1]" 1
17 1 5 CYS HA 1 50 CYS H 3.650 . 5.500 5.125 4.966 5.323 . 0 0 "[ . 1]" 1
18 1 5 CYS HA 1 50 CYS HA 2.530 . 3.260 2.312 2.255 2.452 . 0 0 "[ . 1]" 1
19 1 5 CYS HA 1 51 ASN H 2.760 . 3.720 3.111 2.954 3.352 . 0 0 "[ . 1]" 1
20 1 5 CYS HB2 1 6 TYR H 2.600 . 3.400 3.157 3.005 3.298 . 0 0 "[ . 1]" 1
21 1 5 CYS HB2 1 49 CYS H 3.650 . 5.500 5.571 5.448 5.650 0.150 1 0 "[ . 1]" 1
22 1 5 CYS HB2 1 51 ASN H 3.650 . 5.500 5.611 5.540 5.703 0.203 5 0 "[ . 1]" 1
23 1 5 CYS HB3 1 6 TYR H 2.510 . 3.220 2.297 2.151 2.415 . 0 0 "[ . 1]" 1
24 1 5 CYS HB3 1 6 TYR QD 3.560 . 5.320 4.488 4.106 5.010 . 0 0 "[ . 1]" 1
25 1 5 CYS HB3 1 49 CYS H 3.170 . 4.540 4.459 4.393 4.545 0.005 1 0 "[ . 1]" 1
26 1 5 CYS HB3 1 50 CYS HA 2.840 . 3.880 2.787 2.604 3.063 . 0 0 "[ . 1]" 1
27 1 5 CYS HB3 1 51 ASN H 3.350 . 4.910 4.465 4.340 4.661 . 0 0 "[ . 1]" 1
28 1 6 TYR H 1 6 TYR HB2 2.920 . 4.040 3.983 3.844 4.062 0.022 1 0 "[ . 1]" 1
29 1 6 TYR H 1 6 TYR HB3 2.940 . 4.080 3.339 3.209 3.560 . 0 0 "[ . 1]" 1
30 1 6 TYR H 1 6 TYR QD 2.630 . 3.460 2.758 2.461 3.202 . 0 0 "[ . 1]" 1
31 1 6 TYR H 1 6 TYR QE 3.230 . 4.670 4.289 3.946 4.466 . 0 0 "[ . 1]" 1
32 1 6 TYR H 1 7 PHE H 3.200 . 4.600 4.248 4.162 4.396 . 0 0 "[ . 1]" 1
33 1 6 TYR H 1 48 SER HA 3.420 . 5.040 5.188 5.067 5.257 0.217 10 0 "[ . 1]" 1
34 1 6 TYR H 1 49 CYS H 2.740 . 3.680 3.664 3.547 3.738 0.058 7 0 "[ . 1]" 1
35 1 6 TYR H 1 49 CYS HB2 3.140 . 4.480 3.841 3.540 3.998 . 0 0 "[ . 1]" 1
36 1 6 TYR H 1 50 CYS HA 2.700 . 3.600 3.097 2.898 3.311 . 0 0 "[ . 1]" 1
37 1 6 TYR HA 1 6 TYR QD 3.410 . 5.020 3.680 3.567 3.705 . 0 0 "[ . 1]" 1
38 1 6 TYR HA 1 7 PHE H 2.350 . 2.900 2.159 2.092 2.527 . 0 0 "[ . 1]" 1
39 1 6 TYR HA 1 7 PHE HA 3.610 . 5.420 4.377 4.339 4.486 . 0 0 "[ . 1]" 1
40 1 6 TYR HA 1 7 PHE QD 3.410 . 5.020 3.400 2.966 3.998 . 0 0 "[ . 1]" 1
41 1 6 TYR HB2 1 7 PHE H 2.480 . 3.160 3.011 1.981 3.222 0.062 8 0 "[ . 1]" 1
42 1 6 TYR QD 1 7 PHE H 2.960 . 4.120 3.870 3.486 4.120 . 0 0 "[ . 1]" 1
43 1 6 TYR QD 1 7 PHE HA 3.650 . 5.500 4.303 3.957 4.739 . 0 0 "[ . 1]" 1
44 1 6 TYR QD 1 8 ILE H 3.350 . 4.900 4.876 4.617 5.221 0.321 1 0 "[ . 1]" 1
45 1 6 TYR QD 1 8 ILE MD 3.630 . 5.460 3.695 2.984 4.382 . 0 0 "[ . 1]" 1
46 1 6 TYR QD 1 8 ILE QG 3.230 . 4.670 2.756 2.521 3.312 . 0 0 "[ . 1]" 1
47 1 6 TYR QD 1 49 CYS H 3.150 . 4.500 4.526 4.278 4.720 0.220 6 0 "[ . 1]" 1
48 1 6 TYR QE 1 8 ILE MD 3.040 . 4.290 2.541 2.278 3.147 . 0 0 "[ . 1]" 1
49 1 6 TYR QE 1 8 ILE QG 3.020 . 4.250 2.602 2.238 3.705 . 0 0 "[ . 1]" 1
50 1 6 TYR QE 1 8 ILE MG 3.420 . 5.040 4.140 3.197 5.096 0.056 3 0 "[ . 1]" 1
51 1 6 TYR QE 1 49 CYS HB2 3.300 . 4.800 2.919 2.601 3.255 . 0 0 "[ . 1]" 1
52 1 6 TYR QE 1 49 CYS HB3 3.170 . 4.540 2.967 2.478 3.378 . 0 0 "[ . 1]" 1
53 1 7 PHE H 1 7 PHE HB2 2.300 . 2.800 2.471 2.322 2.798 . 0 0 "[ . 1]" 1
54 1 7 PHE H 1 7 PHE QD 2.760 . 3.720 2.398 2.136 3.025 . 0 0 "[ . 1]" 1
55 1 7 PHE H 1 7 PHE QE 3.470 . 5.140 4.393 4.199 4.802 . 0 0 "[ . 1]" 1
56 1 7 PHE H 1 8 ILE H 3.230 . 4.660 4.558 4.402 4.607 . 0 0 "[ . 1]" 1
57 1 7 PHE H 1 48 SER HA 3.650 . 5.500 5.161 4.982 5.521 0.021 3 0 "[ . 1]" 1
58 1 7 PHE HA 1 7 PHE QD 3.250 . 4.710 2.838 2.526 3.073 . 0 0 "[ . 1]" 1
59 1 7 PHE HA 1 8 ILE H 2.330 . 2.860 2.241 2.165 2.288 . 0 0 "[ . 1]" 1
60 1 7 PHE HA 1 46 ALA MB 3.380 . 4.960 4.628 4.304 4.916 . 0 0 "[ . 1]" 1
61 1 7 PHE HA 1 47 ILE H 3.650 . 5.500 4.788 4.377 5.121 . 0 0 "[ . 1]" 1
62 1 7 PHE HA 1 48 SER HA 2.690 . 3.580 2.700 2.485 2.898 . 0 0 "[ . 1]" 1
63 1 7 PHE HA 1 49 CYS H 2.700 . 3.600 2.824 2.651 3.012 . 0 0 "[ . 1]" 1
64 1 7 PHE HB2 1 8 ILE H 2.940 . 4.080 3.886 3.757 3.961 . 0 0 "[ . 1]" 1
65 1 7 PHE HB3 1 46 ALA MB 2.830 . 3.860 3.104 2.788 3.290 . 0 0 "[ . 1]" 1
66 1 7 PHE HB3 1 47 ILE H 3.580 . 5.360 4.501 3.880 5.053 . 0 0 "[ . 1]" 1
67 1 7 PHE QD 1 8 ILE H 3.080 . 4.370 3.810 3.474 4.047 . 0 0 "[ . 1]" 1
68 1 7 PHE QD 1 46 ALA MB 3.290 . 4.790 3.418 2.742 4.097 . 0 0 "[ . 1]" 1
69 1 7 PHE QD 1 48 SER H 3.350 . 4.900 4.513 4.325 4.850 . 0 0 "[ . 1]" 1
70 1 7 PHE QD 1 48 SER HA 3.280 . 4.760 2.669 2.329 3.078 . 0 0 "[ . 1]" 1
71 1 7 PHE QD 1 48 SER QB 3.280 . 4.760 3.287 3.105 3.792 . 0 0 "[ . 1]" 1
72 1 7 PHE QD 1 49 CYS H 3.270 . 4.750 4.238 3.918 4.537 . 0 0 "[ . 1]" 1
73 1 7 PHE QE 1 48 SER QB 3.210 . 4.630 2.588 2.308 3.095 . 0 0 "[ . 1]" 1
74 1 8 ILE H 1 8 ILE HB 2.900 . 4.000 2.870 2.767 3.135 . 0 0 "[ . 1]" 1
75 1 8 ILE H 1 8 ILE MD 2.870 . 3.940 3.439 1.845 3.980 0.040 6 0 "[ . 1]" 1
76 1 8 ILE H 1 8 ILE QG 2.730 . 3.660 2.513 2.188 3.124 . 0 0 "[ . 1]" 1
77 1 8 ILE H 1 8 ILE MG 3.140 . 4.480 3.921 3.886 3.954 . 0 0 "[ . 1]" 1
78 1 8 ILE H 1 9 PRO HD3 3.490 . 5.180 4.720 4.612 4.793 . 0 0 "[ . 1]" 1
79 1 8 ILE H 1 46 ALA MB 3.020 . 4.250 3.715 3.266 4.083 . 0 0 "[ . 1]" 1
80 1 8 ILE H 1 47 ILE H 2.710 . 3.620 2.965 2.612 3.318 . 0 0 "[ . 1]" 1
81 1 8 ILE H 1 47 ILE HB 3.060 . 4.330 3.328 3.072 3.646 . 0 0 "[ . 1]" 1
82 1 8 ILE H 1 47 ILE MG 3.270 . 4.750 4.354 4.094 4.684 . 0 0 "[ . 1]" 1
83 1 8 ILE H 1 48 SER HA 2.880 . 3.960 3.869 3.666 4.060 0.100 9 0 "[ . 1]" 1
84 1 8 ILE H 1 48 SER QB 3.650 . 5.500 5.538 5.358 5.673 0.173 3 0 "[ . 1]" 1
85 1 8 ILE H 1 49 CYS H 3.020 . 4.250 4.174 3.993 4.299 0.049 5 0 "[ . 1]" 1
86 1 8 ILE HA 1 8 ILE MD 3.000 . 4.200 3.858 3.512 4.027 . 0 0 "[ . 1]" 1
87 1 8 ILE HA 1 8 ILE MG 2.750 . 3.700 2.222 2.179 2.280 . 0 0 "[ . 1]" 1
88 1 8 ILE HA 1 9 PRO HD2 2.670 . 3.530 2.341 2.329 2.355 . 0 0 "[ . 1]" 1
89 1 8 ILE HA 1 9 PRO HD3 2.790 . 3.780 2.335 2.313 2.347 . 0 0 "[ . 1]" 1
90 1 8 ILE HB 1 8 ILE MD 2.600 . 3.400 2.298 2.235 2.371 . 0 0 "[ . 1]" 1
91 1 8 ILE HB 1 9 PRO HD2 2.790 . 3.780 3.992 3.892 4.052 0.272 4 0 "[ . 1]" 1
92 1 8 ILE HB 1 21 LEU QD 3.150 . 4.500 4.427 4.119 4.565 0.065 1 0 "[ . 1]" 1
93 1 8 ILE MD 1 20 ASP HA 3.650 . 5.500 4.567 3.780 5.508 0.008 4 0 "[ . 1]" 1
94 1 8 ILE MD 1 47 ILE H 3.210 . 4.620 4.377 3.597 4.689 0.069 9 0 "[ . 1]" 1
95 1 8 ILE MD 1 47 ILE HB 2.790 . 3.780 2.535 2.118 2.907 . 0 0 "[ . 1]" 1
96 1 8 ILE QG 1 47 ILE H 3.420 . 5.040 4.499 4.214 5.100 0.060 7 0 "[ . 1]" 1
97 1 8 ILE QG 1 47 ILE HB 3.210 . 4.620 3.384 2.977 3.898 . 0 0 "[ . 1]" 1
98 1 8 ILE MG 1 9 PRO HD2 3.000 . 4.200 2.075 2.043 2.244 . 0 0 "[ . 1]" 1
99 1 8 ILE MG 1 9 PRO HD3 3.020 . 4.240 3.294 3.265 3.449 . 0 0 "[ . 1]" 1
100 1 8 ILE MG 1 10 ASN H 3.650 . 5.500 4.754 4.598 5.305 . 0 0 "[ . 1]" 1
101 1 8 ILE MG 1 20 ASP HA 3.580 . 5.360 4.109 3.614 4.935 . 0 0 "[ . 1]" 1
102 1 8 ILE MG 1 21 LEU HG 3.420 . 5.040 3.976 2.752 4.790 . 0 0 "[ . 1]" 1
103 1 9 PRO HA 1 10 ASN H 2.290 . 2.780 2.207 2.185 2.251 . 0 0 "[ . 1]" 1
104 1 9 PRO HA 1 46 ALA H 3.650 . 5.500 5.346 4.905 5.580 0.080 2 0 "[ . 1]" 1
105 1 9 PRO HA 1 46 ALA HA 2.560 . 3.330 2.787 2.369 2.980 . 0 0 "[ . 1]" 1
106 1 9 PRO HA 1 46 ALA MB 3.140 . 4.480 3.121 2.912 3.582 . 0 0 "[ . 1]" 1
107 1 9 PRO HA 1 47 ILE H 3.050 . 4.300 4.020 3.661 4.191 . 0 0 "[ . 1]" 1
108 1 9 PRO QB 1 10 ASN H 2.770 . 3.740 3.664 3.602 3.748 0.008 1 0 "[ . 1]" 1
109 1 9 PRO QB 1 11 GLN QE 2.710 . 3.610 3.081 2.456 3.713 0.103 7 0 "[ . 1]" 1
110 1 9 PRO HD3 1 10 ASN H 3.650 . 5.500 5.484 5.437 5.533 0.033 6 0 "[ . 1]" 1
111 1 9 PRO QG 1 10 ASN H 3.290 . 4.790 4.741 4.722 4.763 . 0 0 "[ . 1]" 1
112 1 9 PRO QG 1 11 GLN QE 2.900 . 4.000 2.216 1.790 2.631 0.010 8 0 "[ . 1]" 1
113 1 10 ASN H 1 10 ASN QB 2.560 . 3.320 2.166 2.147 2.190 . 0 0 "[ . 1]" 1
114 1 10 ASN H 1 10 ASN HD21 3.260 . 4.720 4.723 4.524 4.782 0.062 4 0 "[ . 1]" 1
115 1 10 ASN H 1 10 ASN HD22 3.650 . 5.500 5.743 5.646 5.786 0.286 1 0 "[ . 1]" 1
116 1 10 ASN H 1 11 GLN H 3.270 . 4.740 4.522 4.464 4.598 . 0 0 "[ . 1]" 1
117 1 10 ASN H 1 46 ALA H 3.170 . 4.540 3.959 3.697 4.142 . 0 0 "[ . 1]" 1
118 1 10 ASN H 1 46 ALA MB 2.970 . 4.140 3.360 3.143 3.592 . 0 0 "[ . 1]" 1
119 1 10 ASN H 1 47 ILE H 3.010 . 4.220 3.322 2.929 3.616 . 0 0 "[ . 1]" 1
120 1 10 ASN H 1 47 ILE MD 3.590 . 5.380 4.697 4.403 4.987 . 0 0 "[ . 1]" 1
121 1 10 ASN H 1 47 ILE HG12 3.650 . 5.500 5.315 4.860 5.599 0.099 10 0 "[ . 1]" 1
122 1 10 ASN HA 1 10 ASN HD21 3.370 . 4.940 4.435 4.199 4.584 . 0 0 "[ . 1]" 1
123 1 10 ASN HA 1 11 GLN H 2.370 . 2.940 2.168 2.140 2.203 . 0 0 "[ . 1]" 1
124 1 10 ASN HA 1 12 SER H 3.270 . 4.740 3.548 3.315 4.052 . 0 0 "[ . 1]" 1
125 1 10 ASN HA 1 19 GLN H 3.230 . 4.660 3.612 3.311 3.977 . 0 0 "[ . 1]" 1
126 1 10 ASN HA 1 47 ILE MD 2.850 . 3.890 3.177 2.669 3.491 . 0 0 "[ . 1]" 1
127 1 10 ASN QB 1 10 ASN HD22 2.650 . 3.500 3.241 3.236 3.247 . 0 0 "[ . 1]" 1
128 1 10 ASN QB 1 11 GLN H 2.880 . 3.960 3.768 3.662 3.863 . 0 0 "[ . 1]" 1
129 1 10 ASN QB 1 12 SER H 3.420 . 5.040 3.523 3.357 3.700 . 0 0 "[ . 1]" 1
130 1 10 ASN QB 1 19 GLN H 3.570 . 5.340 4.052 3.723 4.456 . 0 0 "[ . 1]" 1
131 1 10 ASN QB 1 45 ASP HA 2.690 . 3.580 2.268 2.215 2.332 . 0 0 "[ . 1]" 1
132 1 10 ASN QB 1 46 ALA H 2.810 . 3.830 2.995 2.782 3.234 . 0 0 "[ . 1]" 1
133 1 10 ASN QB 1 47 ILE H 3.190 2.190 43.190 3.729 3.230 4.202 . 0 0 "[ . 1]" 1
134 1 10 ASN QB 1 47 ILE MD 3.040 . 4.290 3.827 3.095 4.255 . 0 0 "[ . 1]" 1
135 1 10 ASN HD21 1 12 SER QB 3.280 . 4.760 3.836 3.308 4.683 . 0 0 "[ . 1]" 1
136 1 10 ASN HD21 1 18 CYS HA 2.880 . 3.960 3.183 3.096 3.310 . 0 0 "[ . 1]" 1
137 1 10 ASN HD21 1 18 CYS HB2 3.650 . 5.500 5.316 4.733 5.516 0.016 10 0 "[ . 1]" 1
138 1 10 ASN HD21 1 19 GLN H 3.440 . 5.080 4.351 4.104 4.774 . 0 0 "[ . 1]" 1
139 1 10 ASN HD21 1 44 GLN HA 3.650 . 5.500 4.408 3.998 4.808 . 0 0 "[ . 1]" 1
140 1 10 ASN HD21 1 44 GLN QB 3.570 . 5.340 5.124 4.875 5.450 0.110 10 0 "[ . 1]" 1
141 1 10 ASN HD21 1 45 ASP HA 2.940 . 4.090 2.540 2.017 2.845 . 0 0 "[ . 1]" 1
142 1 10 ASN HD21 1 47 ILE HG13 3.650 . 5.500 5.226 4.610 5.471 . 0 0 "[ . 1]" 1
143 1 10 ASN HD22 1 12 SER H 2.980 . 4.160 3.291 2.694 3.920 . 0 0 "[ . 1]" 1
144 1 10 ASN HD22 1 12 SER QB 2.940 . 4.080 2.463 1.767 3.361 0.033 3 0 "[ . 1]" 1
145 1 10 ASN HD22 1 17 GLU H 3.400 . 5.000 4.715 4.400 5.079 0.079 1 0 "[ . 1]" 1
146 1 10 ASN HD22 1 18 CYS HA 2.690 . 3.570 1.983 1.773 2.495 0.037 9 0 "[ . 1]" 1
147 1 10 ASN HD22 1 18 CYS HB2 3.590 . 5.380 4.749 3.991 5.339 . 0 0 "[ . 1]" 1
148 1 10 ASN HD22 1 19 GLN H 2.920 . 4.040 3.195 2.793 3.632 . 0 0 "[ . 1]" 1
149 1 10 ASN HD22 1 45 ASP HA 3.090 . 4.380 4.144 3.701 4.409 0.029 6 0 "[ . 1]" 1
150 1 11 GLN H 1 11 GLN QB 2.560 . 3.320 2.437 2.135 3.037 . 0 0 "[ . 1]" 1
151 1 11 GLN H 1 11 GLN QG 2.600 . 3.410 2.731 1.905 3.800 0.390 8 0 "[ . 1]" 1
152 1 11 GLN H 1 12 SER H 2.560 . 3.330 2.512 2.309 2.957 . 0 0 "[ . 1]" 1
153 1 11 GLN H 1 12 SER HA 3.300 . 4.800 4.849 4.721 4.955 0.155 10 0 "[ . 1]" 1
154 1 11 GLN H 1 12 SER QB 3.650 . 5.500 3.856 3.710 4.022 . 0 0 "[ . 1]" 1
155 1 11 GLN H 1 19 GLN H 2.940 . 4.080 3.227 2.968 3.457 . 0 0 "[ . 1]" 1
156 1 11 GLN H 1 19 GLN HB2 3.220 . 4.640 4.528 3.555 4.731 0.091 2 0 "[ . 1]" 1
157 1 11 GLN H 1 19 GLN HB3 2.660 . 3.520 3.156 2.910 3.601 0.081 5 0 "[ . 1]" 1
158 1 11 GLN H 1 20 ASP H 3.650 . 5.500 5.539 5.329 5.755 0.255 6 0 "[ . 1]" 1
159 1 11 GLN H 1 47 ILE MD 3.100 . 4.410 4.118 3.638 4.480 0.070 4 0 "[ . 1]" 1
160 1 11 GLN HA 1 11 GLN QG 2.770 . 3.740 2.840 2.330 3.453 . 0 0 "[ . 1]" 1
161 1 11 GLN HA 1 12 SER H 2.670 . 3.540 3.198 2.841 3.378 . 0 0 "[ . 1]" 1
162 1 11 GLN QB 1 12 SER H 3.130 . 4.460 3.529 3.283 3.946 . 0 0 "[ . 1]" 1
163 1 11 GLN QE 1 11 GLN QG 2.400 . 3.000 2.283 2.169 2.685 . 0 0 "[ . 1]" 1
164 1 11 GLN QE 1 21 LEU QD 2.940 . 4.090 3.403 1.712 4.183 0.093 3 0 "[ . 1]" 1
165 1 11 GLN QG 1 21 LEU HA 3.490 . 5.180 3.903 3.499 4.536 . 0 0 "[ . 1]" 1
166 1 11 GLN QG 1 21 LEU QD 3.060 . 4.320 3.016 2.332 3.721 . 0 0 "[ . 1]" 1
167 1 12 SER H 1 12 SER QB 2.460 . 3.120 2.279 2.115 2.591 . 0 0 "[ . 1]" 1
168 1 12 SER H 1 13 LEU H 3.250 . 4.710 4.523 4.476 4.579 . 0 0 "[ . 1]" 1
169 1 12 SER H 1 18 CYS HA 3.290 . 4.790 3.995 3.587 4.366 . 0 0 "[ . 1]" 1
170 1 12 SER H 1 19 GLN H 2.840 . 3.880 2.860 2.509 3.464 . 0 0 "[ . 1]" 1
171 1 12 SER H 1 19 GLN HB2 3.060 . 4.320 3.805 2.689 4.328 0.008 1 0 "[ . 1]" 1
172 1 12 SER H 1 19 GLN HB3 3.160 . 4.520 3.179 2.509 3.798 . 0 0 "[ . 1]" 1
173 1 12 SER HA 1 13 LEU H 2.400 . 3.000 2.305 2.190 2.423 . 0 0 "[ . 1]" 1
174 1 12 SER HA 1 14 LYS H 3.100 . 4.410 3.859 3.632 4.007 . 0 0 "[ . 1]" 1
175 1 12 SER HA 1 19 GLN H 3.380 . 4.960 4.389 4.119 4.709 . 0 0 "[ . 1]" 1
176 1 12 SER QB 1 13 LEU H 2.850 . 3.910 2.934 2.590 3.359 . 0 0 "[ . 1]" 1
177 1 12 SER QB 1 14 LYS H 2.730 . 3.660 2.664 2.256 3.159 . 0 0 "[ . 1]" 1
178 1 12 SER QB 1 17 GLU H 3.650 . 5.500 5.046 4.568 5.518 0.018 7 0 "[ . 1]" 1
179 1 12 SER QB 1 18 CYS HA 3.050 . 4.300 2.621 2.379 2.805 . 0 0 "[ . 1]" 1
180 1 12 SER QB 1 19 GLN H 2.550 . 3.300 1.886 1.758 2.244 0.042 10 0 "[ . 1]" 1
181 1 12 SER QB 1 19 GLN HB2 2.870 . 3.930 2.182 2.039 2.290 . 0 0 "[ . 1]" 1
182 1 13 LEU H 1 13 LEU QB 2.670 . 3.530 2.489 2.299 3.128 . 0 0 "[ . 1]" 1
183 1 13 LEU H 1 13 LEU QD 2.940 . 4.090 3.064 1.706 3.864 0.084 3 0 "[ . 1]" 1
184 1 13 LEU H 1 13 LEU HG 3.000 . 4.200 3.237 2.075 4.246 0.046 5 0 "[ . 1]" 1
185 1 13 LEU H 1 14 LYS H 2.580 . 3.360 2.325 2.130 2.491 . 0 0 "[ . 1]" 1
186 1 13 LEU H 1 14 LYS QG 3.320 . 4.840 3.599 2.596 4.640 . 0 0 "[ . 1]" 1
187 1 13 LEU H 1 19 GLN HB2 3.290 . 4.780 4.925 4.741 5.120 0.340 5 0 "[ . 1]" 1
188 1 13 LEU HA 1 13 LEU QD 2.850 . 3.900 2.306 2.064 3.271 . 0 0 "[ . 1]" 1
189 1 13 LEU HA 1 13 LEU HG 2.790 . 3.780 2.875 2.307 3.738 . 0 0 "[ . 1]" 1
190 1 13 LEU HA 1 14 LYS H 2.620 . 3.450 3.173 3.107 3.263 . 0 0 "[ . 1]" 1
191 1 13 LEU HA 1 14 LYS HA 3.350 . 4.910 4.645 4.588 4.708 . 0 0 "[ . 1]" 1
192 1 13 LEU QD 1 14 LYS H 3.650 . 5.500 4.076 2.652 4.490 . 0 0 "[ . 1]" 1
193 1 14 LYS H 1 14 LYS QB 2.510 . 3.220 2.453 2.208 3.058 . 0 0 "[ . 1]" 1
194 1 14 LYS H 1 14 LYS QD 2.650 . 3.500 2.944 1.782 3.642 0.142 4 0 "[ . 1]" 1
195 1 14 LYS H 1 14 LYS QG 2.630 . 3.460 2.734 1.802 3.586 0.126 8 0 "[ . 1]" 1
196 1 14 LYS H 1 15 PRO QD 3.290 . 4.780 4.361 4.312 4.442 . 0 0 "[ . 1]" 1
197 1 14 LYS H 1 17 GLU H 3.280 . 4.760 4.679 4.476 4.831 0.071 2 0 "[ . 1]" 1
198 1 14 LYS H 1 19 GLN H 3.650 . 5.500 5.653 5.522 5.743 0.243 9 0 "[ . 1]" 1
199 1 14 LYS H 1 19 GLN HB2 3.650 . 5.500 5.500 5.348 5.548 0.048 7 0 "[ . 1]" 1
200 1 14 LYS HA 1 15 PRO QD 2.710 . 3.610 2.082 2.064 2.156 . 0 0 "[ . 1]" 1
201 1 14 LYS QB 1 14 LYS QD 2.480 . 3.160 2.199 2.120 2.326 . 0 0 "[ . 1]" 1
202 1 14 LYS QB 1 16 ASN H 3.090 . 4.380 2.644 2.440 3.464 . 0 0 "[ . 1]" 1
203 1 14 LYS QD 1 16 ASN H 3.570 . 5.340 5.159 4.787 5.449 0.109 10 0 "[ . 1]" 1
204 1 14 LYS QD 1 17 GLU H 3.530 . 5.260 4.625 4.187 5.194 . 0 0 "[ . 1]" 1
205 1 14 LYS QG 1 17 GLU H 3.570 . 5.340 4.463 3.211 5.256 . 0 0 "[ . 1]" 1
206 1 15 PRO QB 1 16 ASN H 2.750 . 3.700 3.539 2.408 3.751 0.051 3 0 "[ . 1]" 1
207 1 15 PRO QB 1 17 GLU H 3.570 . 5.340 4.991 4.888 5.098 . 0 0 "[ . 1]" 1
208 1 15 PRO QD 1 16 ASN H 3.040 . 4.280 2.692 2.576 3.434 . 0 0 "[ . 1]" 1
209 1 15 PRO QG 1 16 ASN H 2.780 . 3.760 3.007 2.150 3.283 . 0 0 "[ . 1]" 1
210 1 16 ASN H 1 16 ASN QB 2.630 . 3.460 2.717 2.289 2.959 . 0 0 "[ . 1]" 1
211 1 16 ASN H 1 16 ASN QD 3.250 . 4.700 3.615 1.759 4.646 0.041 1 0 "[ . 1]" 1
212 1 16 ASN H 1 17 GLU H 2.460 . 3.120 2.242 2.016 3.005 . 0 0 "[ . 1]" 1
213 1 16 ASN H 1 17 GLU HA 3.520 . 5.240 4.866 4.727 5.109 . 0 0 "[ . 1]" 1
214 1 16 ASN H 1 28 LEU MD2 3.380 . 4.960 4.840 4.570 5.149 0.189 6 0 "[ . 1]" 1
215 1 16 ASN HA 1 17 GLU H 2.530 . 3.260 3.238 2.617 3.394 0.134 10 0 "[ . 1]" 1
216 1 16 ASN HA 1 28 LEU H 3.030 . 4.260 4.102 3.631 4.607 0.347 6 0 "[ . 1]" 1
217 1 16 ASN HA 1 28 LEU QB 2.730 . 3.650 2.532 2.316 2.965 . 0 0 "[ . 1]" 1
218 1 16 ASN HA 1 28 LEU MD1 3.650 . 5.500 3.537 2.568 4.269 . 0 0 "[ . 1]" 1
219 1 16 ASN HA 1 28 LEU MD2 2.980 . 4.170 2.534 2.266 2.867 . 0 0 "[ . 1]" 1
220 1 16 ASN QB 1 16 ASN QD 2.380 . 2.960 2.297 2.180 2.792 . 0 0 "[ . 1]" 1
221 1 16 ASN QB 1 17 GLU H 3.260 . 4.720 3.698 3.113 4.033 . 0 0 "[ . 1]" 1
222 1 16 ASN QB 1 28 LEU MD2 3.180 . 4.560 3.660 2.169 4.471 . 0 0 "[ . 1]" 1
223 1 17 GLU H 1 17 GLU HB2 2.780 . 3.760 2.796 2.738 2.845 . 0 0 "[ . 1]" 1
224 1 17 GLU H 1 17 GLU HB3 2.830 . 3.860 3.840 3.760 3.887 0.027 2 0 "[ . 1]" 1
225 1 17 GLU H 1 18 CYS H 3.160 . 4.520 4.345 4.275 4.422 . 0 0 "[ . 1]" 1
226 1 17 GLU H 1 18 CYS HA 3.430 . 5.060 4.759 4.714 4.785 . 0 0 "[ . 1]" 1
227 1 17 GLU H 1 28 LEU H 3.430 . 5.060 4.958 4.587 5.123 0.063 1 0 "[ . 1]" 1
228 1 17 GLU H 1 28 LEU HA 3.650 . 5.500 5.629 5.543 5.746 0.246 6 0 "[ . 1]" 1
229 1 17 GLU H 1 28 LEU QB 3.170 . 4.550 4.016 3.704 4.600 0.050 1 0 "[ . 1]" 1
230 1 17 GLU H 1 28 LEU MD1 3.650 . 5.500 4.423 3.503 5.161 . 0 0 "[ . 1]" 1
231 1 17 GLU H 1 28 LEU MD2 3.540 . 5.280 4.874 4.507 5.214 . 0 0 "[ . 1]" 1
232 1 17 GLU HA 1 18 CYS H 2.320 . 2.840 2.257 2.113 2.491 . 0 0 "[ . 1]" 1
233 1 17 GLU HA 1 26 HIS H 3.090 . 4.380 4.163 4.046 4.324 . 0 0 "[ . 1]" 1
234 1 17 GLU HA 1 27 PRO HA 2.980 . 4.170 3.356 2.815 3.580 . 0 0 "[ . 1]" 1
235 1 17 GLU HA 1 28 LEU H 2.650 . 3.500 3.251 3.043 3.489 . 0 0 "[ . 1]" 1
236 1 17 GLU HA 1 28 LEU HA 3.020 . 4.250 3.876 3.606 4.142 . 0 0 "[ . 1]" 1
237 1 17 GLU HB2 1 25 SER QB 3.370 . 4.940 4.029 3.597 4.980 0.040 9 0 "[ . 1]" 1
238 1 17 GLU HB3 1 17 GLU HG2 2.280 . 2.760 2.418 2.370 2.451 . 0 0 "[ . 1]" 1
239 1 17 GLU HB3 1 18 CYS H 2.580 . 3.370 2.701 2.262 3.038 . 0 0 "[ . 1]" 1
240 1 17 GLU HB3 1 26 HIS H 2.940 . 4.080 3.386 2.883 4.067 . 0 0 "[ . 1]" 1
241 1 17 GLU HB3 1 28 LEU H 3.650 . 5.500 5.367 5.117 5.604 0.104 8 0 "[ . 1]" 1
242 1 17 GLU HG2 1 18 CYS H 2.760 . 3.720 3.738 3.604 3.804 0.084 10 0 "[ . 1]" 1
243 1 17 GLU HG2 1 26 HIS H 3.000 . 4.200 3.992 3.875 4.072 . 0 0 "[ . 1]" 1
244 1 17 GLU HG3 1 26 HIS H 3.650 . 5.500 5.531 5.408 5.615 0.115 8 0 "[ . 1]" 1
245 1 17 GLU HG3 1 28 LEU H 2.850 . 3.890 3.664 3.302 3.946 0.056 10 0 "[ . 1]" 1
246 1 18 CYS H 1 18 CYS HB3 2.830 . 3.860 3.800 3.722 3.857 . 0 0 "[ . 1]" 1
247 1 18 CYS H 1 19 GLN H 3.100 . 4.400 4.460 4.364 4.539 0.139 4 0 "[ . 1]" 1
248 1 18 CYS H 1 25 SER HA 3.000 . 4.200 4.209 3.926 4.434 0.234 9 0 "[ . 1]" 1
249 1 18 CYS H 1 25 SER QB 3.250 . 4.700 4.057 3.709 4.754 0.054 9 0 "[ . 1]" 1
250 1 18 CYS H 1 26 HIS H 2.640 . 3.480 2.746 2.436 2.955 . 0 0 "[ . 1]" 1
251 1 18 CYS H 1 26 HIS HB2 2.920 . 4.040 3.980 3.623 4.188 0.148 9 0 "[ . 1]" 1
252 1 18 CYS H 1 26 HIS HD2 3.650 . 5.500 5.111 4.841 5.388 . 0 0 "[ . 1]" 1
253 1 18 CYS H 1 28 LEU H 3.400 . 5.000 5.093 4.948 5.238 0.238 10 0 "[ . 1]" 1
254 1 18 CYS H 1 32 TRP HH2 3.650 . 5.500 5.380 5.118 5.557 0.057 3 0 "[ . 1]" 1
255 1 18 CYS H 1 42 CYS HA 3.650 . 5.500 5.046 4.783 5.270 . 0 0 "[ . 1]" 1
256 1 18 CYS HA 1 19 GLN H 2.380 . 2.960 2.245 2.197 2.291 . 0 0 "[ . 1]" 1
257 1 18 CYS HA 1 26 HIS H 3.380 . 4.960 5.023 4.836 5.107 0.147 2 0 "[ . 1]" 1
258 1 18 CYS HA 1 47 ILE MD 3.270 . 4.750 4.099 3.917 4.200 . 0 0 "[ . 1]" 1
259 1 18 CYS HB2 1 19 GLN H 3.650 . 5.500 3.892 3.748 3.999 . 0 0 "[ . 1]" 1
260 1 18 CYS HB2 1 26 HIS H 2.980 . 4.160 3.994 3.846 4.214 0.054 6 0 "[ . 1]" 1
261 1 18 CYS HB2 1 32 TRP HH2 3.190 2.190 43.190 3.477 3.132 3.756 . 0 0 "[ . 1]" 1
262 1 18 CYS HB2 1 47 ILE MD 2.580 . 3.360 2.670 2.421 3.121 . 0 0 "[ . 1]" 1
263 1 18 CYS HB2 1 47 ILE HG12 3.140 . 4.480 2.689 2.369 3.058 . 0 0 "[ . 1]" 1
264 1 18 CYS HB3 1 19 GLN H 2.760 . 3.720 2.963 2.789 3.122 . 0 0 "[ . 1]" 1
265 1 18 CYS HB3 1 47 ILE MD 2.580 . 3.370 2.275 2.174 2.334 . 0 0 "[ . 1]" 1
266 1 18 CYS HB3 1 47 ILE HG12 2.590 . 3.380 2.368 2.317 2.548 . 0 0 "[ . 1]" 1
267 1 18 CYS HB3 1 47 ILE HG13 2.540 . 3.280 2.710 2.340 2.996 . 0 0 "[ . 1]" 1
268 1 18 CYS HB3 1 47 ILE MG 3.480 . 5.170 4.154 4.053 4.220 . 0 0 "[ . 1]" 1
269 1 19 GLN H 1 19 GLN HB2 2.540 . 3.270 2.807 2.364 3.016 . 0 0 "[ . 1]" 1
270 1 19 GLN H 1 19 GLN HB3 2.650 . 3.500 2.713 2.524 3.353 . 0 0 "[ . 1]" 1
271 1 19 GLN H 1 19 GLN QG 3.190 2.190 43.190 4.017 3.697 4.149 . 0 0 "[ . 1]" 1
272 1 19 GLN H 1 47 ILE MD 3.000 . 4.200 3.522 3.253 3.803 . 0 0 "[ . 1]" 1
273 1 19 GLN HA 1 20 ASP H 2.260 . 2.720 2.167 2.136 2.206 . 0 0 "[ . 1]" 1
274 1 19 GLN HA 1 24 VAL H 3.380 . 4.960 4.752 4.530 4.958 . 0 0 "[ . 1]" 1
275 1 19 GLN HA 1 25 SER HA 2.300 . 2.800 2.577 2.322 2.813 0.013 10 0 "[ . 1]" 1
276 1 19 GLN HA 1 25 SER QB 3.460 . 5.120 3.529 3.173 3.833 . 0 0 "[ . 1]" 1
277 1 19 GLN HA 1 26 HIS HD2 3.520 . 5.250 4.614 4.178 5.053 . 0 0 "[ . 1]" 1
278 1 19 GLN HB2 1 19 GLN QE 2.830 . 3.860 2.600 1.798 3.703 0.002 7 0 "[ . 1]" 1
279 1 19 GLN HB2 1 25 SER HA 3.230 . 4.660 4.511 4.245 4.786 0.126 5 0 "[ . 1]" 1
280 1 19 GLN HB2 1 25 SER QB 3.540 . 5.290 4.096 3.568 4.568 . 0 0 "[ . 1]" 1
281 1 19 GLN HB3 1 19 GLN QE 2.980 . 4.170 3.134 2.133 3.995 . 0 0 "[ . 1]" 1
282 1 19 GLN HB3 1 20 ASP H 3.650 . 5.500 3.986 3.419 4.183 . 0 0 "[ . 1]" 1
283 1 19 GLN QE 1 19 GLN QG 2.500 . 3.200 2.511 2.177 2.827 . 0 0 "[ . 1]" 1
284 1 19 GLN QE 1 23 GLY QA 3.490 . 5.180 3.748 2.647 4.881 . 0 0 "[ . 1]" 1
285 1 19 GLN QE 1 25 SER QB 3.570 . 5.340 4.194 1.735 5.310 0.065 7 0 "[ . 1]" 1
286 1 19 GLN QG 1 20 ASP H 2.450 . 3.100 2.589 2.209 3.129 0.029 5 0 "[ . 1]" 1
287 1 19 GLN QG 1 23 GLY H 2.980 . 4.170 3.604 3.360 4.264 0.094 5 0 "[ . 1]" 1
288 1 19 GLN QG 1 23 GLY QA 2.810 . 3.830 2.685 2.357 3.518 . 0 0 "[ . 1]" 1
289 1 19 GLN QG 1 24 VAL H 2.940 . 4.080 3.648 3.395 3.840 . 0 0 "[ . 1]" 1
290 1 19 GLN QG 1 25 SER HA 3.070 . 4.340 3.951 2.885 4.473 0.133 7 0 "[ . 1]" 1
291 1 19 GLN QG 1 25 SER QB 3.190 . 4.590 3.866 2.403 4.754 0.164 1 0 "[ . 1]" 1
292 1 20 ASP H 1 20 ASP HB2 2.600 . 3.400 2.556 2.187 2.668 . 0 0 "[ . 1]" 1
293 1 20 ASP H 1 20 ASP HB3 2.790 . 3.780 2.742 2.545 3.344 . 0 0 "[ . 1]" 1
294 1 20 ASP H 1 23 GLY H 3.120 . 4.450 3.927 3.473 4.288 . 0 0 "[ . 1]" 1
295 1 20 ASP H 1 23 GLY QA 3.650 . 5.500 4.231 3.941 4.581 . 0 0 "[ . 1]" 1
296 1 20 ASP H 1 24 VAL H 2.750 . 3.700 3.256 3.037 3.474 . 0 0 "[ . 1]" 1
297 1 20 ASP H 1 24 VAL QG 2.980 . 4.160 3.306 2.926 4.179 0.019 6 0 "[ . 1]" 1
298 1 20 ASP H 1 25 SER QB 3.650 . 5.500 4.926 4.537 5.339 . 0 0 "[ . 1]" 1
299 1 20 ASP H 1 26 HIS H 3.650 . 5.500 5.434 5.253 5.625 0.125 2 0 "[ . 1]" 1
300 1 20 ASP H 1 26 HIS HD2 3.230 . 4.670 4.332 4.060 4.650 . 0 0 "[ . 1]" 1
301 1 20 ASP H 1 47 ILE MD 3.050 . 4.300 4.075 3.838 4.368 0.068 1 0 "[ . 1]" 1
302 1 20 ASP HA 1 21 LEU H 2.520 . 3.240 2.603 2.543 2.660 . 0 0 "[ . 1]" 1
303 1 20 ASP HA 1 21 LEU QD 3.060 . 4.330 3.236 2.850 4.258 . 0 0 "[ . 1]" 1
304 1 20 ASP HA 1 47 ILE MD 2.990 . 4.180 2.969 2.782 3.281 . 0 0 "[ . 1]" 1
305 1 20 ASP HB2 1 21 LEU H 2.850 . 3.900 3.704 3.620 3.799 . 0 0 "[ . 1]" 1
306 1 20 ASP HB2 1 22 LYS H 3.080 . 4.360 4.065 3.324 4.337 . 0 0 "[ . 1]" 1
307 1 20 ASP HB2 1 23 GLY H 3.500 . 5.210 4.908 4.247 5.246 0.036 2 0 "[ . 1]" 1
308 1 20 ASP HB2 1 24 VAL H 3.380 . 4.960 4.187 3.731 4.590 . 0 0 "[ . 1]" 1
309 1 20 ASP HB2 1 26 HIS HD2 3.000 . 4.590 3.618 3.243 4.005 . 0 0 "[ . 1]" 1
310 1 20 ASP HB2 1 32 TRP HE1 3.650 . 5.500 4.877 3.734 5.550 0.050 4 0 "[ . 1]" 1
311 1 20 ASP HB2 1 32 TRP HZ2 3.650 . 5.500 4.152 3.427 4.490 . 0 0 "[ . 1]" 1
312 1 20 ASP HB2 1 47 ILE MD 3.350 . 4.910 3.513 3.108 4.388 . 0 0 "[ . 1]" 1
313 1 20 ASP HB3 1 21 LEU H 2.500 . 3.200 2.937 2.131 3.244 0.044 7 0 "[ . 1]" 1
314 1 20 ASP HB3 1 21 LEU QD 3.410 . 5.020 4.359 3.148 5.152 0.132 3 0 "[ . 1]" 1
315 1 20 ASP HB3 1 22 LYS H 2.920 . 4.040 2.486 2.122 2.840 . 0 0 "[ . 1]" 1
316 1 20 ASP HB3 1 23 GLY H 3.000 . 4.200 3.465 2.568 4.223 0.023 9 0 "[ . 1]" 1
317 1 20 ASP HB3 1 24 VAL QG 2.780 . 3.760 2.638 2.068 3.576 . 0 0 "[ . 1]" 1
318 1 20 ASP HB3 1 47 ILE MD 3.650 . 5.500 4.702 4.421 5.053 . 0 0 "[ . 1]" 1
319 1 21 LEU H 1 21 LEU HB2 2.460 . 3.110 2.323 2.118 2.668 . 0 0 "[ . 1]" 1
320 1 21 LEU H 1 21 LEU HB3 2.800 . 3.800 3.526 3.436 3.589 . 0 0 "[ . 1]" 1
321 1 21 LEU H 1 21 LEU QD 2.770 . 3.730 2.102 1.774 2.972 0.036 9 0 "[ . 1]" 1
322 1 21 LEU H 1 23 GLY H 3.260 . 4.720 4.225 4.061 4.478 . 0 0 "[ . 1]" 1
323 1 21 LEU HA 1 21 LEU QD 2.650 . 3.500 2.210 1.978 3.118 . 0 0 "[ . 1]" 1
324 1 21 LEU HB2 1 21 LEU QD 3.010 . 4.220 2.252 2.062 2.362 . 0 0 "[ . 1]" 1
325 1 21 LEU HB2 1 22 LYS H 2.880 . 3.960 3.120 2.738 3.462 . 0 0 "[ . 1]" 1
326 1 21 LEU HB3 1 21 LEU QD 2.890 . 3.980 2.199 2.091 2.344 . 0 0 "[ . 1]" 1
327 1 21 LEU HB3 1 22 LYS H 3.250 . 4.700 3.839 3.440 4.368 . 0 0 "[ . 1]" 1
328 1 21 LEU HB3 1 23 GLY H 3.650 . 5.500 5.165 4.767 5.932 0.432 5 0 "[ . 1]" 1
329 1 21 LEU QD 1 22 LYS H 2.890 . 3.980 3.852 3.626 4.135 0.155 5 0 "[ . 1]" 1
330 1 22 LYS H 1 22 LYS QB 2.480 . 3.160 2.231 2.096 2.383 . 0 0 "[ . 1]" 1
331 1 22 LYS H 1 22 LYS QD 3.400 . 5.000 4.292 3.805 4.664 . 0 0 "[ . 1]" 1
332 1 22 LYS H 1 22 LYS QG 2.750 . 3.700 3.718 2.545 4.011 0.311 5 0 "[ . 1]" 1
333 1 22 LYS H 1 23 GLY H 2.350 . 2.900 2.580 2.366 2.766 . 0 0 "[ . 1]" 1
334 1 22 LYS H 1 24 VAL H 2.730 . 3.660 3.579 3.230 3.843 0.183 6 0 "[ . 1]" 1
335 1 22 LYS H 1 24 VAL QG 3.000 . 4.200 3.558 3.111 4.253 0.053 3 0 "[ . 1]" 1
336 1 22 LYS HA 1 22 LYS QD 3.080 . 4.360 3.514 2.127 4.142 . 0 0 "[ . 1]" 1
337 1 22 LYS HA 1 22 LYS QG 2.710 . 3.610 2.347 2.205 3.079 . 0 0 "[ . 1]" 1
338 1 22 LYS HA 1 23 GLY H 2.670 . 3.530 3.286 3.112 3.584 0.054 6 0 "[ . 1]" 1
339 1 22 LYS HA 1 24 VAL H 3.540 . 5.280 4.551 4.162 5.031 . 0 0 "[ . 1]" 1
340 1 22 LYS QB 1 23 GLY H 2.820 . 3.840 3.214 2.468 3.609 . 0 0 "[ . 1]" 1
341 1 22 LYS QB 1 24 VAL H 3.170 . 4.540 2.870 2.648 3.163 . 0 0 "[ . 1]" 1
342 1 22 LYS QB 1 24 VAL QG 2.820 . 3.840 2.275 2.147 2.682 . 0 0 "[ . 1]" 1
343 1 22 LYS QD 1 23 GLY H 3.650 . 5.500 5.094 3.407 5.818 0.318 1 0 "[ . 1]" 1
344 1 22 LYS QG 1 23 GLY H 3.050 . 4.300 4.330 3.715 4.586 0.286 10 0 "[ . 1]" 1
345 1 23 GLY H 1 24 VAL H 2.470 . 3.140 2.394 1.728 2.713 0.072 6 0 "[ . 1]" 1
346 1 23 GLY H 1 24 VAL QG 3.000 . 4.200 3.556 2.864 4.135 . 0 0 "[ . 1]" 1
347 1 24 VAL H 1 24 VAL HB 2.520 . 3.240 2.862 2.416 3.660 0.420 7 0 "[ . 1]" 1
348 1 24 VAL H 1 24 VAL QG 2.360 . 2.920 1.944 1.783 2.468 0.017 2 0 "[ . 1]" 1
349 1 24 VAL HA 1 24 VAL QG 2.750 . 3.700 2.223 2.077 2.308 . 0 0 "[ . 1]" 1
350 1 24 VAL HA 1 25 SER H 2.210 . 2.620 2.240 2.192 2.345 . 0 0 "[ . 1]" 1
351 1 24 VAL QG 1 25 SER H 2.420 . 3.040 2.318 1.857 3.237 0.197 7 0 "[ . 1]" 1
352 1 24 VAL QG 1 25 SER HA 3.620 . 5.440 3.520 3.256 3.940 . 0 0 "[ . 1]" 1
353 1 24 VAL QG 1 25 SER QB 3.570 . 5.340 4.039 3.777 4.552 . 0 0 "[ . 1]" 1
354 1 24 VAL QG 1 26 HIS H 3.420 . 5.040 4.493 4.278 5.092 0.052 7 0 "[ . 1]" 1
355 1 24 VAL QG 1 26 HIS HE1 3.280 . 4.760 2.896 2.385 3.919 . 0 0 "[ . 1]" 1
356 1 25 SER H 1 25 SER QB 2.350 . 2.900 2.673 2.281 2.865 . 0 0 "[ . 1]" 1
357 1 25 SER H 1 26 HIS H 3.260 . 4.720 4.527 4.463 4.555 . 0 0 "[ . 1]" 1
358 1 25 SER HA 1 26 HIS H 2.270 . 2.740 2.281 2.234 2.312 . 0 0 "[ . 1]" 1
359 1 25 SER HA 1 26 HIS HD2 3.340 . 4.880 3.495 3.026 3.956 . 0 0 "[ . 1]" 1
360 1 25 SER QB 1 26 HIS H 2.500 . 3.200 2.819 2.601 3.368 0.168 6 0 "[ . 1]" 1
361 1 26 HIS H 1 26 HIS HB2 2.600 . 3.400 2.795 2.709 2.861 . 0 0 "[ . 1]" 1
362 1 26 HIS H 1 26 HIS HD2 2.810 . 3.820 3.350 2.909 3.862 0.042 7 0 "[ . 1]" 1
363 1 26 HIS H 1 27 PRO QD 3.400 . 5.000 4.345 4.274 4.376 . 0 0 "[ . 1]" 1
364 1 26 HIS HA 1 27 PRO QD 2.420 . 3.030 2.111 2.089 2.130 . 0 0 "[ . 1]" 1
365 1 26 HIS HB2 1 32 TRP HH2 3.330 . 4.860 3.366 2.989 3.976 . 0 0 "[ . 1]" 1
366 1 26 HIS HB2 1 32 TRP HZ3 3.420 . 5.040 3.117 2.622 3.404 . 0 0 "[ . 1]" 1
367 1 26 HIS HB2 1 42 CYS QB 2.770 . 3.740 2.701 2.440 3.208 . 0 0 "[ . 1]" 1
368 1 26 HIS HB3 1 27 PRO QD 3.100 . 4.410 2.342 2.289 2.668 . 0 0 "[ . 1]" 1
369 1 26 HIS HB3 1 30 SER H 3.650 . 5.500 5.354 4.860 5.539 0.039 10 0 "[ . 1]" 1
370 1 26 HIS HB3 1 32 TRP HZ3 3.090 . 4.380 3.384 2.804 4.039 . 0 0 "[ . 1]" 1
371 1 26 HIS HD2 1 32 TRP HE1 3.150 . 4.500 4.442 3.971 4.554 0.054 2 0 "[ . 1]" 1
372 1 26 HIS HE1 1 32 TRP HD1 3.650 . 5.500 4.037 3.270 4.678 . 0 0 "[ . 1]" 1
373 1 26 HIS HE1 1 32 TRP HE1 3.190 2.190 43.190 4.465 4.245 4.643 . 0 0 "[ . 1]" 1
374 1 27 PRO HB2 1 28 LEU H 2.770 . 3.730 3.294 3.088 3.411 . 0 0 "[ . 1]" 1
375 1 27 PRO HB2 1 30 SER H 3.630 . 5.460 4.154 3.921 4.591 . 0 0 "[ . 1]" 1
376 1 27 PRO HG2 1 30 SER H 3.410 . 5.020 4.285 4.080 4.673 . 0 0 "[ . 1]" 1
377 1 28 LEU H 1 28 LEU QB 2.440 . 3.080 2.158 2.038 2.213 . 0 0 "[ . 1]" 1
378 1 28 LEU H 1 28 LEU MD1 3.340 . 4.880 3.995 3.374 4.209 . 0 0 "[ . 1]" 1
379 1 28 LEU H 1 28 LEU MD2 3.180 . 4.560 4.181 4.088 4.237 . 0 0 "[ . 1]" 1
380 1 28 LEU H 1 29 ASN H 3.310 . 4.830 4.598 4.496 4.670 . 0 0 "[ . 1]" 1
381 1 28 LEU H 1 30 SER H 3.650 . 5.500 4.554 4.426 4.856 . 0 0 "[ . 1]" 1
382 1 28 LEU H 1 42 CYS QB 3.430 . 5.060 4.422 4.254 4.546 . 0 0 "[ . 1]" 1
383 1 28 LEU HA 1 28 LEU MD1 2.600 . 3.410 2.223 2.160 2.310 . 0 0 "[ . 1]" 1
384 1 28 LEU HA 1 28 LEU MD2 3.010 . 4.220 3.902 3.773 3.973 . 0 0 "[ . 1]" 1
385 1 28 LEU HA 1 29 ASN H 2.370 . 2.940 2.277 2.164 2.478 . 0 0 "[ . 1]" 1
386 1 28 LEU HA 1 30 SER H 2.800 . 3.800 3.372 3.207 3.529 . 0 0 "[ . 1]" 1
387 1 28 LEU HA 1 42 CYS H 3.440 . 5.080 4.255 3.989 4.426 . 0 0 "[ . 1]" 1
388 1 28 LEU HA 1 42 CYS QB 2.960 . 4.120 2.580 2.362 2.720 . 0 0 "[ . 1]" 1
389 1 28 LEU QB 1 28 LEU MD1 2.540 . 3.270 2.250 2.205 2.311 . 0 0 "[ . 1]" 1
390 1 28 LEU QB 1 28 LEU MD2 2.420 . 3.030 2.092 2.069 2.107 . 0 0 "[ . 1]" 1
391 1 28 LEU QB 1 29 ASN H 2.770 . 3.740 3.548 3.052 3.861 0.121 6 0 "[ . 1]" 1
392 1 28 LEU MD1 1 29 ASN H 2.570 . 3.340 2.688 2.076 2.991 . 0 0 "[ . 1]" 1
393 1 28 LEU MD1 1 29 ASN HA 3.650 . 5.500 4.157 3.426 4.770 . 0 0 "[ . 1]" 1
394 1 28 LEU MD1 1 43 GLY H 3.060 . 4.320 3.643 3.388 4.019 . 0 0 "[ . 1]" 1
395 1 28 LEU MD1 1 43 GLY HA3 2.900 . 4.000 2.309 2.019 3.383 . 0 0 "[ . 1]" 1
396 1 28 LEU MD1 1 44 GLN H 2.960 . 4.120 3.509 3.139 4.127 0.007 1 0 "[ . 1]" 1
397 1 28 LEU MD1 1 44 GLN HA 2.710 . 3.610 2.903 2.493 3.130 . 0 0 "[ . 1]" 1
398 1 28 LEU MD1 1 44 GLN QB 3.000 . 4.590 4.102 3.452 4.380 . 0 0 "[ . 1]" 1
399 1 28 LEU MD1 1 44 GLN QE 3.650 . 5.500 3.317 2.181 5.414 . 0 0 "[ . 1]" 1
400 1 28 LEU MD1 1 44 GLN QG 3.030 . 4.260 3.253 2.798 4.312 0.052 10 0 "[ . 1]" 1
401 1 28 LEU MD2 1 29 ASN QD 2.900 . 4.000 3.664 2.493 4.169 0.169 6 0 "[ . 1]" 1
402 1 28 LEU MD2 1 43 GLY HA3 3.380 . 4.960 4.363 3.908 4.576 . 0 0 "[ . 1]" 1
403 1 28 LEU MD2 1 44 GLN HA 3.200 . 4.600 4.021 3.459 4.611 0.011 8 0 "[ . 1]" 1
404 1 28 LEU MD2 1 44 GLN QE 3.650 . 5.500 3.031 1.722 5.496 0.078 4 0 "[ . 1]" 1
405 1 28 LEU MD2 1 44 GLN QG 3.300 . 4.800 3.700 3.083 4.796 . 0 0 "[ . 1]" 1
406 1 28 LEU HG 1 29 ASN H 2.740 . 3.680 2.538 1.746 3.410 0.054 8 0 "[ . 1]" 1
407 1 28 LEU HG 1 29 ASN HA 3.380 . 4.960 3.737 3.627 4.010 . 0 0 "[ . 1]" 1
408 1 28 LEU HG 1 29 ASN QD 2.980 . 4.160 3.480 2.301 4.234 0.074 8 0 "[ . 1]" 1
409 1 28 LEU HG 1 43 GLY HA3 3.510 . 5.220 4.209 3.634 4.525 . 0 0 "[ . 1]" 1
410 1 29 ASN H 1 29 ASN QB 2.990 . 4.180 3.248 3.100 3.533 . 0 0 "[ . 1]" 1
411 1 29 ASN H 1 30 SER H 2.670 . 3.540 2.732 2.277 3.014 . 0 0 "[ . 1]" 1
412 1 29 ASN H 1 30 SER HA 3.630 . 5.460 5.279 4.942 5.546 0.086 8 0 "[ . 1]" 1
413 1 29 ASN H 1 41 THR MG 3.090 . 4.380 3.937 2.919 4.552 0.172 8 0 "[ . 1]" 1
414 1 29 ASN H 1 42 CYS H 3.210 . 4.620 3.840 3.416 4.360 . 0 0 "[ . 1]" 1
415 1 29 ASN H 1 42 CYS HA 3.650 . 5.500 5.078 4.727 5.559 0.059 9 0 "[ . 1]" 1
416 1 29 ASN H 1 42 CYS QB 2.870 . 3.940 3.385 3.100 3.898 . 0 0 "[ . 1]" 1
417 1 29 ASN H 1 43 GLY HA3 3.270 . 4.740 4.037 3.659 4.286 . 0 0 "[ . 1]" 1
418 1 29 ASN HA 1 29 ASN QD 3.040 . 4.280 3.451 1.783 4.335 0.055 3 0 "[ . 1]" 1
419 1 29 ASN HA 1 30 SER HA 3.650 . 5.500 4.668 4.598 4.715 . 0 0 "[ . 1]" 1
420 1 29 ASN HA 1 42 CYS H 3.550 . 5.300 4.770 4.353 5.040 . 0 0 "[ . 1]" 1
421 1 29 ASN QB 1 29 ASN QD 2.400 . 3.000 2.308 2.171 2.797 . 0 0 "[ . 1]" 1
422 1 29 ASN QB 1 30 SER H 2.890 . 3.980 3.490 3.187 3.924 . 0 0 "[ . 1]" 1
423 1 30 SER H 1 30 SER QB 2.560 . 3.320 2.417 2.295 2.643 . 0 0 "[ . 1]" 1
424 1 30 SER H 1 31 VAL QG 3.620 . 5.440 5.443 5.335 5.501 0.061 10 0 "[ . 1]" 1
425 1 30 SER H 1 32 TRP HZ3 3.230 . 4.670 4.240 3.951 4.551 . 0 0 "[ . 1]" 1
426 1 30 SER H 1 41 THR HA 3.200 . 4.600 4.829 4.656 5.098 0.498 7 0 "[ . 1]" 1
427 1 30 SER H 1 41 THR HB 3.650 . 5.500 5.764 5.629 5.954 0.454 2 0 "[ . 1]" 1
428 1 30 SER H 1 41 THR MG 3.280 . 4.760 3.733 3.172 4.210 . 0 0 "[ . 1]" 1
429 1 30 SER H 1 42 CYS H 2.940 . 4.090 3.711 3.442 3.971 . 0 0 "[ . 1]" 1
430 1 30 SER H 1 42 CYS QB 2.670 . 3.540 3.446 3.096 3.628 0.088 4 0 "[ . 1]" 1
431 1 30 SER HA 1 31 VAL H 2.250 . 2.690 2.241 2.148 2.383 . 0 0 "[ . 1]" 1
432 1 30 SER HA 1 31 VAL QG 3.050 . 4.300 3.606 3.473 3.752 . 0 0 "[ . 1]" 1
433 1 30 SER QB 1 31 VAL H 2.670 . 3.540 2.990 2.498 3.617 0.077 5 0 "[ . 1]" 1
434 1 31 VAL H 1 31 VAL HB 2.520 . 3.240 3.009 2.892 3.070 . 0 0 "[ . 1]" 1
435 1 31 VAL H 1 31 VAL QG 2.460 . 3.120 1.934 1.782 2.051 0.018 5 0 "[ . 1]" 1
436 1 31 VAL H 1 32 TRP H 3.210 . 4.630 4.284 4.083 4.458 . 0 0 "[ . 1]" 1
437 1 31 VAL H 1 32 TRP HE3 3.140 . 4.480 4.081 3.801 4.306 . 0 0 "[ . 1]" 1
438 1 31 VAL HA 1 31 VAL QG 2.890 . 3.970 2.239 2.213 2.279 . 0 0 "[ . 1]" 1
439 1 31 VAL HA 1 32 TRP H 2.330 . 2.860 2.170 2.109 2.236 . 0 0 "[ . 1]" 1
440 1 31 VAL HA 1 32 TRP HA 3.150 . 4.500 4.439 4.416 4.475 . 0 0 "[ . 1]" 1
441 1 31 VAL HA 1 32 TRP HE3 3.020 . 4.250 2.854 2.567 3.070 . 0 0 "[ . 1]" 1
442 1 31 VAL HA 1 32 TRP HZ3 3.180 . 4.560 3.696 3.387 3.916 . 0 0 "[ . 1]" 1
443 1 31 VAL HA 1 41 THR HA 2.670 . 3.540 2.594 2.395 2.742 . 0 0 "[ . 1]" 1
444 1 31 VAL HA 1 41 THR HB 3.410 . 5.020 4.869 4.663 5.123 0.103 8 0 "[ . 1]" 1
445 1 31 VAL HA 1 41 THR MG 3.170 . 4.540 2.502 2.246 2.759 . 0 0 "[ . 1]" 1
446 1 31 VAL HA 1 42 CYS H 2.960 . 4.130 4.183 4.020 4.373 0.243 4 0 "[ . 1]" 1
447 1 31 VAL HB 1 41 THR HA 3.100 . 4.410 4.054 3.673 4.258 . 0 0 "[ . 1]" 1
448 1 31 VAL HB 1 41 THR MG 3.000 . 4.200 2.233 2.178 2.264 . 0 0 "[ . 1]" 1
449 1 31 VAL QG 1 32 TRP H 2.530 . 3.260 2.628 2.072 3.085 . 0 0 "[ . 1]" 1
450 1 31 VAL QG 1 32 TRP HA 3.200 . 4.600 3.327 3.016 3.612 . 0 0 "[ . 1]" 1
451 1 31 VAL QG 1 33 LYS H 3.540 . 5.280 4.646 4.429 4.911 . 0 0 "[ . 1]" 1
452 1 31 VAL QG 1 39 GLU QB 2.620 . 3.440 2.517 1.981 2.804 . 0 0 "[ . 1]" 1
453 1 31 VAL QG 1 40 CYS H 2.710 . 3.620 3.035 2.834 3.244 . 0 0 "[ . 1]" 1
454 1 31 VAL QG 1 41 THR HA 2.990 . 4.180 3.596 3.469 3.748 . 0 0 "[ . 1]" 1
455 1 31 VAL QG 1 41 THR HB 3.620 . 5.440 4.683 4.387 4.942 . 0 0 "[ . 1]" 1
456 1 31 VAL QG 1 41 THR MG 2.860 . 3.920 2.646 2.227 3.059 . 0 0 "[ . 1]" 1
457 1 31 VAL QG 1 42 CYS H 3.590 . 5.380 5.143 5.058 5.318 . 0 0 "[ . 1]" 1
458 1 32 TRP H 1 32 TRP QB 2.710 . 3.610 2.995 2.773 3.233 . 0 0 "[ . 1]" 1
459 1 32 TRP H 1 32 TRP HD1 3.270 . 4.740 4.629 4.457 4.776 0.036 3 0 "[ . 1]" 1
460 1 32 TRP H 1 32 TRP HE1 3.650 . 5.500 5.255 4.995 5.477 . 0 0 "[ . 1]" 1
461 1 32 TRP H 1 32 TRP HE3 2.570 . 3.340 2.385 1.967 2.839 . 0 0 "[ . 1]" 1
462 1 32 TRP H 1 32 TRP HZ3 3.120 . 4.450 4.133 3.788 4.516 0.066 10 0 "[ . 1]" 1
463 1 32 TRP H 1 33 LYS H 3.100 . 4.400 4.416 4.344 4.489 0.089 4 0 "[ . 1]" 1
464 1 32 TRP H 1 41 THR MG 3.270 . 4.750 4.215 3.661 4.536 . 0 0 "[ . 1]" 1
465 1 32 TRP H 1 42 CYS H 3.550 . 5.300 5.310 5.097 5.637 0.337 3 0 "[ . 1]" 1
466 1 32 TRP HA 1 32 TRP HD1 3.650 . 5.500 4.425 4.358 4.490 . 0 0 "[ . 1]" 1
467 1 32 TRP HA 1 32 TRP HE3 3.650 . 5.500 4.121 4.034 4.206 . 0 0 "[ . 1]" 1
468 1 32 TRP HA 1 33 LYS H 2.340 . 2.880 2.411 2.334 2.499 . 0 0 "[ . 1]" 1
469 1 32 TRP HA 1 33 LYS HA 3.210 . 4.620 4.444 4.416 4.471 . 0 0 "[ . 1]" 1
470 1 32 TRP QB 1 33 LYS H 2.380 . 2.960 2.291 2.108 2.445 . 0 0 "[ . 1]" 1
471 1 32 TRP HD1 1 33 LYS H 2.920 . 4.040 3.314 3.159 3.431 . 0 0 "[ . 1]" 1
472 1 32 TRP HD1 1 34 THR H 3.210 . 4.620 4.188 4.069 4.332 . 0 0 "[ . 1]" 1
473 1 32 TRP HD1 1 34 THR HA 3.550 . 5.300 3.767 3.506 3.992 . 0 0 "[ . 1]" 1
474 1 32 TRP HD1 1 34 THR MG 3.090 . 4.380 2.540 2.300 2.644 . 0 0 "[ . 1]" 1
475 1 32 TRP HD1 1 40 CYS HB2 3.360 . 4.920 4.252 4.126 4.352 . 0 0 "[ . 1]" 1
476 1 32 TRP HE1 1 33 LYS H 3.650 . 5.500 5.674 5.542 5.778 0.278 5 0 "[ . 1]" 1
477 1 32 TRP HE1 1 34 THR H 3.650 . 5.500 5.175 4.976 5.357 . 0 0 "[ . 1]" 1
478 1 32 TRP HE1 1 34 THR HA 3.530 . 5.260 5.044 4.628 5.439 0.179 7 0 "[ . 1]" 1
479 1 32 TRP HE1 1 34 THR MG 2.630 . 3.460 2.475 2.223 2.770 . 0 0 "[ . 1]" 1
480 1 32 TRP HE1 1 40 CYS H 3.650 . 5.500 4.986 4.683 5.495 . 0 0 "[ . 1]" 1
481 1 32 TRP HE1 1 40 CYS HB2 3.090 . 4.380 3.015 2.934 3.352 . 0 0 "[ . 1]" 1
482 1 32 TRP HE1 1 40 CYS HB3 3.020 . 4.250 4.097 3.975 4.232 . 0 0 "[ . 1]" 1
483 1 32 TRP HE1 1 47 ILE MD 3.500 . 5.210 5.176 4.681 5.316 0.106 7 0 "[ . 1]" 1
484 1 32 TRP HE1 1 47 ILE MG 3.320 . 4.840 4.829 4.506 4.958 0.118 5 0 "[ . 1]" 1
485 1 32 TRP HE3 1 33 LYS H 3.650 . 5.500 5.722 5.657 5.784 0.284 7 0 "[ . 1]" 1
486 1 32 TRP HE3 1 41 THR HA 3.550 . 5.300 3.720 3.512 4.094 . 0 0 "[ . 1]" 1
487 1 32 TRP HE3 1 42 CYS H 3.080 . 4.370 4.141 4.052 4.318 . 0 0 "[ . 1]" 1
488 1 32 TRP HH2 1 41 THR HA 3.650 . 5.500 3.827 3.635 4.123 . 0 0 "[ . 1]" 1
489 1 32 TRP HH2 1 42 CYS H 2.820 . 3.840 3.128 2.907 3.271 . 0 0 "[ . 1]" 1
490 1 32 TRP HH2 1 42 CYS HA 3.150 . 4.500 2.869 2.761 3.008 . 0 0 "[ . 1]" 1
491 1 32 TRP HH2 1 42 CYS QB 2.890 . 3.980 2.401 2.298 2.597 . 0 0 "[ . 1]" 1
492 1 32 TRP HH2 1 47 ILE HB 3.650 . 5.500 5.033 4.828 5.190 . 0 0 "[ . 1]" 1
493 1 32 TRP HH2 1 47 ILE MD 3.020 . 4.250 2.931 2.676 3.155 . 0 0 "[ . 1]" 1
494 1 32 TRP HH2 1 47 ILE HG12 3.040 . 4.290 3.478 2.965 3.722 . 0 0 "[ . 1]" 1
495 1 32 TRP HH2 1 47 ILE HG13 3.650 . 5.500 5.055 4.662 5.236 . 0 0 "[ . 1]" 1
496 1 32 TRP HH2 1 47 ILE MG 2.940 . 4.080 2.333 2.205 2.533 . 0 0 "[ . 1]" 1
497 1 32 TRP HZ2 1 40 CYS HB2 3.500 . 5.200 3.099 2.921 3.517 . 0 0 "[ . 1]" 1
498 1 32 TRP HZ2 1 40 CYS HB3 3.180 . 4.560 2.799 2.656 2.908 . 0 0 "[ . 1]" 1
499 1 32 TRP HZ2 1 42 CYS H 3.620 . 5.450 5.411 5.216 5.552 0.102 9 0 "[ . 1]" 1
500 1 32 TRP HZ2 1 47 ILE MD 3.010 . 4.220 2.865 2.429 2.994 . 0 0 "[ . 1]" 1
501 1 32 TRP HZ2 1 47 ILE HG12 3.470 . 5.140 4.735 4.053 5.026 . 0 0 "[ . 1]" 1
502 1 32 TRP HZ2 1 47 ILE MG 2.960 . 4.130 2.649 2.301 2.835 . 0 0 "[ . 1]" 1
503 1 32 TRP HZ3 1 40 CYS HB3 3.650 . 5.500 4.866 4.541 5.058 . 0 0 "[ . 1]" 1
504 1 32 TRP HZ3 1 41 THR HA 3.230 . 4.660 2.630 2.420 2.953 . 0 0 "[ . 1]" 1
505 1 32 TRP HZ3 1 42 CYS H 2.670 . 3.530 1.929 1.804 2.157 0.006 2 0 "[ . 1]" 1
506 1 32 TRP HZ3 1 42 CYS HA 3.320 . 4.840 3.904 3.749 4.050 . 0 0 "[ . 1]" 1
507 1 32 TRP HZ3 1 42 CYS QB 2.710 . 3.620 2.532 2.396 2.661 . 0 0 "[ . 1]" 1
508 1 32 TRP HZ3 1 47 ILE MG 3.120 . 4.450 4.058 3.815 4.248 . 0 0 "[ . 1]" 1
509 1 33 LYS H 1 33 LYS HB2 2.410 . 3.020 2.648 2.501 2.903 . 0 0 "[ . 1]" 1
510 1 33 LYS H 1 33 LYS HB3 2.870 . 3.940 3.767 3.700 3.830 . 0 0 "[ . 1]" 1
511 1 33 LYS H 1 33 LYS QD 3.250 . 4.700 4.248 4.015 4.639 . 0 0 "[ . 1]" 1
512 1 33 LYS H 1 33 LYS QG 2.670 . 3.540 2.775 2.354 2.958 . 0 0 "[ . 1]" 1
513 1 33 LYS HA 1 33 LYS QD 3.040 . 4.290 3.902 2.714 4.220 . 0 0 "[ . 1]" 1
514 1 33 LYS HA 1 33 LYS QG 2.580 . 3.360 2.417 2.312 2.634 . 0 0 "[ . 1]" 1
515 1 33 LYS HA 1 34 THR H 2.310 . 2.820 2.169 2.126 2.221 . 0 0 "[ . 1]" 1
516 1 33 LYS HA 1 34 THR MG 3.070 . 4.340 3.264 3.184 3.371 . 0 0 "[ . 1]" 1
517 1 33 LYS HA 1 38 GLU H 3.350 . 4.910 4.465 3.643 4.978 0.068 5 0 "[ . 1]" 1
518 1 33 LYS HA 1 39 GLU H 3.620 . 5.440 5.029 4.793 5.318 . 0 0 "[ . 1]" 1
519 1 33 LYS HA 1 39 GLU HA 2.600 . 3.400 2.756 2.372 3.397 . 0 0 "[ . 1]" 1
520 1 33 LYS HA 1 40 CYS H 2.750 . 3.690 3.534 3.238 3.740 0.050 8 0 "[ . 1]" 1
521 1 33 LYS HB2 1 34 THR H 3.010 . 4.220 4.082 3.858 4.268 0.048 5 0 "[ . 1]" 1
522 1 33 LYS HB3 1 34 THR H 2.620 . 3.450 3.153 2.926 3.366 . 0 0 "[ . 1]" 1
523 1 33 LYS QE 1 33 LYS QG 2.470 . 3.140 2.446 2.209 2.927 . 0 0 "[ . 1]" 1
524 1 33 LYS QE 1 39 GLU QB 3.560 . 5.320 4.357 2.384 5.520 0.200 5 0 "[ . 1]" 1
525 1 33 LYS QG 1 34 THR H 3.090 . 4.380 4.107 3.869 4.400 0.020 2 0 "[ . 1]" 1
526 1 33 LYS QG 1 39 GLU HA 2.980 . 4.170 2.839 2.250 3.639 . 0 0 "[ . 1]" 1
527 1 33 LYS QG 1 40 CYS H 3.270 . 4.740 4.123 3.648 4.742 0.002 5 0 "[ . 1]" 1
528 1 34 THR H 1 34 THR MG 2.420 . 3.040 2.140 2.003 2.370 . 0 0 "[ . 1]" 1
529 1 34 THR H 1 37 CYS H 3.450 . 5.100 4.716 4.027 5.160 0.060 6 0 "[ . 1]" 1
530 1 34 THR H 1 38 GLU H 2.710 . 3.620 3.320 2.754 3.691 0.071 5 0 "[ . 1]" 1
531 1 34 THR H 1 38 GLU QG 2.790 . 3.770 2.868 2.547 3.545 . 0 0 "[ . 1]" 1
532 1 34 THR HA 1 34 THR MG 2.750 . 3.700 2.501 2.431 2.655 . 0 0 "[ . 1]" 1
533 1 34 THR HA 1 36 ASP H 3.040 . 4.290 4.052 3.806 4.444 0.154 1 0 "[ . 1]" 1
534 1 34 THR HB 1 36 ASP H 2.560 . 3.320 3.282 2.995 3.497 0.177 7 0 "[ . 1]" 1
535 1 34 THR MG 1 36 ASP H 3.020 . 4.240 4.015 3.716 4.299 0.059 9 0 "[ . 1]" 1
536 1 34 THR MG 1 38 GLU H 3.120 . 4.450 4.379 4.147 4.564 0.114 9 0 "[ . 1]" 1
537 1 34 THR MG 1 38 GLU QG 2.800 . 3.800 2.642 2.289 3.535 . 0 0 "[ . 1]" 1
538 1 35 LYS HA 1 35 LYS QG 2.900 . 4.000 2.360 2.276 2.645 . 0 0 "[ . 1]" 1
539 1 35 LYS HA 1 36 ASP H 2.620 . 3.440 3.268 3.049 3.504 0.064 1 0 "[ . 1]" 1
540 1 35 LYS QB 1 36 ASP H 2.670 . 3.540 3.302 2.638 3.669 0.129 4 0 "[ . 1]" 1
541 1 35 LYS QE 1 35 LYS QG 2.740 . 3.680 2.345 2.122 2.634 . 0 0 "[ . 1]" 1
542 1 35 LYS QG 1 36 ASP H 3.270 . 4.750 4.428 4.009 4.854 0.104 5 0 "[ . 1]" 1
543 1 36 ASP H 1 36 ASP QB 2.460 . 3.120 2.442 2.158 2.776 . 0 0 "[ . 1]" 1
544 1 36 ASP H 1 37 CYS H 2.730 . 3.660 2.763 2.510 2.975 . 0 0 "[ . 1]" 1
545 1 36 ASP H 1 38 GLU H 2.940 . 4.080 3.672 3.177 4.041 . 0 0 "[ . 1]" 1
546 1 36 ASP HA 1 37 CYS H 2.670 . 3.530 2.968 2.829 3.041 . 0 0 "[ . 1]" 1
547 1 36 ASP HA 1 38 GLU H 3.510 . 5.220 4.641 3.999 5.423 0.203 8 0 "[ . 1]" 1
548 1 36 ASP HA 1 68 LEU QD 3.240 . 4.680 4.463 3.996 4.994 0.314 4 0 "[ . 1]" 1
549 1 36 ASP QB 1 37 CYS H 2.810 . 3.830 3.789 3.680 4.000 0.170 7 0 "[ . 1]" 1
550 1 36 ASP QB 1 38 GLU H 3.060 . 4.330 3.607 2.805 4.475 0.145 8 0 "[ . 1]" 1
551 1 37 CYS H 1 37 CYS QB 2.710 . 3.610 2.896 2.721 3.175 . 0 0 "[ . 1]" 1
552 1 37 CYS H 1 38 GLU H 2.570 . 3.340 3.028 2.807 3.298 . 0 0 "[ . 1]" 1
553 1 37 CYS H 1 38 GLU QG 3.190 2.190 43.190 4.085 3.694 5.035 . 0 0 "[ . 1]" 1
554 1 37 CYS HA 1 38 GLU H 2.500 . 3.200 2.787 2.325 3.170 . 0 0 "[ . 1]" 1
555 1 37 CYS QB 1 38 GLU H 3.190 . 4.590 3.800 3.546 4.019 . 0 0 "[ . 1]" 1
556 1 37 CYS QB 1 53 ALA H 3.210 . 4.620 4.754 4.629 4.903 0.283 4 0 "[ . 1]" 1
557 1 37 CYS QB 1 53 ALA MB 3.000 . 4.200 3.636 2.769 3.906 . 0 0 "[ . 1]" 1
558 1 37 CYS QB 1 68 LEU QD 2.900 . 4.000 3.181 2.205 4.320 0.320 1 0 "[ . 1]" 1
559 1 38 GLU H 1 38 GLU QB 2.600 . 3.400 2.916 2.338 3.359 . 0 0 "[ . 1]" 1
560 1 38 GLU H 1 38 GLU QG 2.400 . 3.000 2.249 1.736 2.720 0.064 9 0 "[ . 1]" 1
561 1 38 GLU H 1 39 GLU H 3.210 . 4.630 4.461 4.359 4.570 . 0 0 "[ . 1]" 1
562 1 38 GLU H 1 39 GLU HA 3.650 . 5.500 5.008 4.705 5.255 . 0 0 "[ . 1]" 1
563 1 38 GLU H 1 51 ASN HA 3.650 . 5.500 5.096 4.695 5.441 . 0 0 "[ . 1]" 1
564 1 38 GLU H 1 52 THR MG 3.300 . 4.800 4.264 3.150 4.847 0.047 5 0 "[ . 1]" 1
565 1 38 GLU HA 1 39 GLU H 2.340 . 2.880 2.448 2.355 2.606 . 0 0 "[ . 1]" 1
566 1 38 GLU HA 1 51 ASN HA 2.870 . 3.930 2.718 2.334 3.054 . 0 0 "[ . 1]" 1
567 1 38 GLU HA 1 52 THR H 2.730 . 3.650 2.539 2.278 2.720 . 0 0 "[ . 1]" 1
568 1 38 GLU HA 1 52 THR MG 2.810 . 3.810 2.389 2.228 2.677 . 0 0 "[ . 1]" 1
569 1 38 GLU HA 1 53 ALA H 3.310 . 4.820 4.711 4.463 4.866 0.046 7 0 "[ . 1]" 1
570 1 38 GLU QB 1 39 GLU H 2.580 . 3.360 2.364 1.970 2.608 . 0 0 "[ . 1]" 1
571 1 38 GLU QB 1 50 CYS H 3.290 . 4.780 3.161 2.721 3.652 . 0 0 "[ . 1]" 1
572 1 38 GLU QB 1 51 ASN H 3.360 . 4.920 4.321 3.938 4.707 . 0 0 "[ . 1]" 1
573 1 38 GLU QB 1 52 THR H 2.860 . 3.920 3.767 3.449 4.019 0.099 5 0 "[ . 1]" 1
574 1 38 GLU QB 1 53 ALA H 3.570 . 5.340 5.408 5.218 5.579 0.239 8 0 "[ . 1]" 1
575 1 38 GLU QG 1 40 CYS H 3.650 . 5.500 4.609 3.912 5.565 0.065 1 0 "[ . 1]" 1
576 1 38 GLU QG 1 50 CYS H 3.610 . 5.420 4.350 3.370 4.963 . 0 0 "[ . 1]" 1
577 1 39 GLU H 1 39 GLU QB 2.420 . 3.040 2.869 2.453 3.078 0.038 3 0 "[ . 1]" 1
578 1 39 GLU H 1 39 GLU QG 2.560 . 3.320 2.347 1.923 3.374 0.054 8 0 "[ . 1]" 1
579 1 39 GLU H 1 40 CYS H 3.280 . 4.760 4.325 4.147 4.390 . 0 0 "[ . 1]" 1
580 1 39 GLU H 1 40 CYS HA 3.620 . 5.450 4.869 4.791 4.939 . 0 0 "[ . 1]" 1
581 1 39 GLU H 1 49 CYS HB3 3.650 . 5.500 4.669 4.519 4.923 . 0 0 "[ . 1]" 1
582 1 39 GLU H 1 50 CYS HA 3.650 . 5.500 4.710 4.567 4.866 . 0 0 "[ . 1]" 1
583 1 39 GLU H 1 50 CYS QB 3.400 . 5.000 3.878 3.607 4.057 . 0 0 "[ . 1]" 1
584 1 39 GLU H 1 51 ASN HA 2.920 . 4.040 3.956 3.744 4.095 0.055 1 0 "[ . 1]" 1
585 1 39 GLU H 1 52 THR H 3.040 . 4.290 4.311 4.224 4.406 0.116 1 0 "[ . 1]" 1
586 1 39 GLU H 1 52 THR MG 2.650 . 3.500 2.810 2.286 3.336 . 0 0 "[ . 1]" 1
587 1 39 GLU HA 1 39 GLU QG 2.670 . 3.540 3.021 2.256 3.367 . 0 0 "[ . 1]" 1
588 1 39 GLU HA 1 40 CYS H 2.270 . 2.740 2.171 2.093 2.223 . 0 0 "[ . 1]" 1
589 1 39 GLU HA 1 50 CYS H 3.560 . 5.320 4.758 4.686 4.820 . 0 0 "[ . 1]" 1
590 1 39 GLU QB 1 40 CYS H 2.440 . 3.080 3.195 3.102 3.473 0.393 9 0 "[ . 1]" 1
591 1 39 GLU QB 1 50 CYS H 3.270 . 4.750 4.281 3.792 4.574 . 0 0 "[ . 1]" 1
592 1 39 GLU QB 1 52 THR MG 2.780 . 3.760 2.599 2.143 2.902 . 0 0 "[ . 1]" 1
593 1 39 GLU QG 1 40 CYS H 3.570 . 5.340 4.144 3.851 4.455 . 0 0 "[ . 1]" 1
594 1 39 GLU QG 1 52 THR MG 2.540 . 3.280 2.263 1.954 2.955 . 0 0 "[ . 1]" 1
595 1 40 CYS H 1 40 CYS HB2 2.620 . 3.440 2.593 2.516 2.666 . 0 0 "[ . 1]" 1
596 1 40 CYS H 1 40 CYS HB3 2.850 . 3.900 3.754 3.713 3.797 . 0 0 "[ . 1]" 1
597 1 40 CYS H 1 41 THR H 3.130 . 4.460 4.386 4.356 4.412 . 0 0 "[ . 1]" 1
598 1 40 CYS H 1 41 THR HA 3.280 . 4.760 4.952 4.900 5.020 0.260 9 0 "[ . 1]" 1
599 1 40 CYS H 1 50 CYS H 3.310 . 4.820 4.967 4.885 5.019 0.199 8 0 "[ . 1]" 1
600 1 40 CYS HA 1 41 THR HA 3.230 . 4.660 4.424 4.409 4.446 . 0 0 "[ . 1]" 1
601 1 40 CYS HA 1 48 SER H 3.500 . 5.200 4.548 4.388 4.726 . 0 0 "[ . 1]" 1
602 1 40 CYS HA 1 49 CYS H 3.270 . 4.740 4.550 4.464 4.637 . 0 0 "[ . 1]" 1
603 1 40 CYS HA 1 49 CYS HA 2.460 . 3.110 2.225 2.185 2.263 . 0 0 "[ . 1]" 1
604 1 40 CYS HA 1 50 CYS H 2.650 . 3.500 3.730 3.643 3.824 0.324 9 0 "[ . 1]" 1
605 1 40 CYS HB2 1 41 THR H 3.090 . 4.380 4.137 3.992 4.270 . 0 0 "[ . 1]" 1
606 1 40 CYS HB2 1 47 ILE MG 3.000 . 4.200 3.638 3.414 3.836 . 0 0 "[ . 1]" 1
607 1 40 CYS HB3 1 41 THR H 2.830 . 3.870 3.089 2.899 3.283 . 0 0 "[ . 1]" 1
608 1 40 CYS HB3 1 47 ILE MG 2.560 . 3.320 2.270 2.071 2.457 . 0 0 "[ . 1]" 1
609 1 41 THR H 1 41 THR HB 2.640 . 3.480 3.297 2.981 3.532 0.052 7 0 "[ . 1]" 1
610 1 41 THR H 1 41 THR MG 2.880 . 3.960 3.746 3.591 3.966 0.006 2 0 "[ . 1]" 1
611 1 41 THR H 1 42 CYS H 3.230 . 4.660 4.353 4.301 4.411 . 0 0 "[ . 1]" 1
612 1 41 THR H 1 47 ILE MG 2.790 . 3.770 2.801 2.658 2.938 . 0 0 "[ . 1]" 1
613 1 41 THR H 1 48 SER H 2.610 . 3.420 2.958 2.826 3.052 . 0 0 "[ . 1]" 1
614 1 41 THR H 1 48 SER QB 2.960 . 4.120 3.410 3.173 4.093 . 0 0 "[ . 1]" 1
615 1 41 THR H 1 49 CYS HA 2.680 . 3.560 3.708 3.644 3.790 0.230 7 0 "[ . 1]" 1
616 1 41 THR HA 1 41 THR MG 2.870 . 3.940 2.183 2.156 2.241 . 0 0 "[ . 1]" 1
617 1 41 THR HA 1 42 CYS H 2.400 . 3.000 2.139 2.113 2.175 . 0 0 "[ . 1]" 1
618 1 41 THR HB 1 48 SER H 3.180 . 4.560 3.875 3.389 4.265 . 0 0 "[ . 1]" 1
619 1 41 THR MG 1 42 CYS H 2.580 . 3.370 2.958 2.475 3.288 . 0 0 "[ . 1]" 1
620 1 41 THR MG 1 42 CYS HA 3.380 . 4.960 4.995 4.503 5.323 0.363 7 0 "[ . 1]" 1
621 1 41 THR MG 1 42 CYS QB 3.210 . 4.620 4.338 3.817 4.677 0.057 3 0 "[ . 1]" 1
622 1 41 THR MG 1 48 SER QB 3.350 . 4.910 4.575 4.201 5.018 0.108 8 0 "[ . 1]" 1
623 1 42 CYS H 1 42 CYS QB 2.540 . 3.270 2.156 2.131 2.204 . 0 0 "[ . 1]" 1
624 1 42 CYS H 1 47 ILE MG 3.100 . 4.400 3.799 3.621 4.030 . 0 0 "[ . 1]" 1
625 1 42 CYS HA 1 43 GLY H 2.300 . 2.800 2.141 2.111 2.173 . 0 0 "[ . 1]" 1
626 1 42 CYS HA 1 46 ALA H 3.650 . 5.500 5.682 5.587 5.768 0.268 3 0 "[ . 1]" 1
627 1 42 CYS HA 1 47 ILE H 3.540 . 5.290 5.302 5.147 5.370 0.080 9 0 "[ . 1]" 1
628 1 42 CYS HA 1 47 ILE HA 2.710 . 3.610 2.855 2.798 2.929 . 0 0 "[ . 1]" 1
629 1 42 CYS HA 1 47 ILE MD 3.460 . 5.130 3.672 3.521 4.104 . 0 0 "[ . 1]" 1
630 1 42 CYS HA 1 47 ILE HG12 2.980 . 4.170 2.397 2.306 2.647 . 0 0 "[ . 1]" 1
631 1 42 CYS HA 1 47 ILE MG 2.940 . 4.090 2.453 2.311 2.888 . 0 0 "[ . 1]" 1
632 1 42 CYS HA 1 48 SER H 3.650 . 5.500 4.054 3.997 4.114 . 0 0 "[ . 1]" 1
633 1 42 CYS QB 1 43 GLY H 2.830 . 3.870 3.704 3.587 3.920 0.050 1 0 "[ . 1]" 1
634 1 42 CYS QB 1 47 ILE MD 3.300 . 4.800 3.768 3.590 4.096 . 0 0 "[ . 1]" 1
635 1 42 CYS QB 1 48 SER H 3.650 . 5.500 5.669 5.632 5.712 0.212 9 0 "[ . 1]" 1
636 1 43 GLY H 1 44 GLN H 2.920 . 4.040 3.984 2.882 4.203 0.163 10 0 "[ . 1]" 1
637 1 43 GLY H 1 45 ASP H 3.560 . 5.320 5.377 5.330 5.424 0.104 7 0 "[ . 1]" 1
638 1 43 GLY H 1 46 ALA H 2.910 . 4.020 3.786 3.658 4.043 0.023 1 0 "[ . 1]" 1
639 1 43 GLY H 1 47 ILE HG12 3.210 . 4.620 3.048 2.882 3.779 . 0 0 "[ . 1]" 1
640 1 43 GLY H 1 47 ILE HG13 3.650 . 5.500 4.034 3.885 4.561 . 0 0 "[ . 1]" 1
641 1 43 GLY H 1 47 ILE MG 3.250 . 4.700 3.789 3.679 4.018 . 0 0 "[ . 1]" 1
642 1 43 GLY H 1 48 SER H 3.230 . 4.670 4.321 3.835 4.719 0.049 9 0 "[ . 1]" 1
643 1 43 GLY HA2 1 44 GLN H 2.330 . 2.860 2.279 2.205 2.320 . 0 0 "[ . 1]" 1
644 1 43 GLY HA2 1 46 ALA H 2.980 . 4.160 3.419 3.190 4.043 . 0 0 "[ . 1]" 1
645 1 43 GLY HA3 1 44 GLN H 2.560 . 3.330 3.011 2.852 3.503 0.173 1 0 "[ . 1]" 1
646 1 44 GLN H 1 44 GLN QB 2.260 . 2.720 2.413 2.217 2.831 0.111 1 0 "[ . 1]" 1
647 1 44 GLN H 1 44 GLN QG 2.670 . 3.540 2.921 2.136 4.017 0.477 2 0 "[ . 1]" 1
648 1 44 GLN H 1 45 ASP H 2.610 . 3.420 2.580 2.312 2.707 . 0 0 "[ . 1]" 1
649 1 44 GLN H 1 46 ALA H 3.070 . 4.340 3.025 2.265 3.332 . 0 0 "[ . 1]" 1
650 1 44 GLN QB 1 45 ASP H 2.500 . 3.190 2.046 1.905 2.162 . 0 0 "[ . 1]" 1
651 1 44 GLN QB 1 46 ALA H 3.030 . 4.260 3.925 3.727 4.006 . 0 0 "[ . 1]" 1
652 1 44 GLN QG 1 45 ASP H 2.930 . 4.060 3.784 3.390 4.117 0.057 8 0 "[ . 1]" 1
653 1 45 ASP H 1 45 ASP QB 2.520 . 3.230 2.757 2.500 3.017 . 0 0 "[ . 1]" 1
654 1 45 ASP H 1 46 ALA H 2.370 . 2.940 2.267 2.185 2.384 . 0 0 "[ . 1]" 1
655 1 45 ASP H 1 46 ALA MB 2.880 . 3.960 3.679 3.599 3.790 . 0 0 "[ . 1]" 1
656 1 45 ASP HA 1 46 ALA H 2.560 . 3.320 3.164 3.061 3.225 . 0 0 "[ . 1]" 1
657 1 45 ASP QB 1 46 ALA H 2.880 . 3.960 3.824 3.560 4.016 0.056 9 0 "[ . 1]" 1
658 1 45 ASP QB 1 46 ALA MB 3.290 . 4.790 3.773 3.509 4.078 . 0 0 "[ . 1]" 1
659 1 46 ALA H 1 46 ALA MB 2.500 . 3.190 2.747 2.650 2.776 . 0 0 "[ . 1]" 1
660 1 46 ALA H 1 47 ILE H 3.000 . 4.200 4.189 3.980 4.372 0.172 6 0 "[ . 1]" 1
661 1 46 ALA HA 1 47 ILE H 2.350 . 2.900 2.204 2.129 2.302 . 0 0 "[ . 1]" 1
662 1 46 ALA MB 1 47 ILE H 2.660 . 3.520 2.818 2.477 3.223 . 0 0 "[ . 1]" 1
663 1 46 ALA MB 1 48 SER H 3.550 . 5.300 5.075 4.841 5.291 . 0 0 "[ . 1]" 1
664 1 47 ILE H 1 47 ILE HB 2.620 . 3.450 2.581 2.483 2.687 . 0 0 "[ . 1]" 1
665 1 47 ILE H 1 47 ILE MD 3.300 . 4.800 3.766 3.554 3.977 . 0 0 "[ . 1]" 1
666 1 47 ILE H 1 47 ILE HG12 2.720 . 3.640 3.633 3.421 3.748 0.108 9 0 "[ . 1]" 1
667 1 47 ILE H 1 47 ILE HG13 2.680 . 3.560 2.428 2.151 2.631 . 0 0 "[ . 1]" 1
668 1 47 ILE H 1 47 ILE MG 2.820 . 3.840 3.819 3.766 3.867 0.027 9 0 "[ . 1]" 1
669 1 47 ILE H 1 48 SER H 3.280 . 4.760 4.498 4.325 4.618 . 0 0 "[ . 1]" 1
670 1 47 ILE HA 1 47 ILE MD 3.050 . 4.300 3.832 3.814 3.859 . 0 0 "[ . 1]" 1
671 1 47 ILE HA 1 47 ILE HG12 3.020 . 4.240 2.560 2.530 2.589 . 0 0 "[ . 1]" 1
672 1 47 ILE HA 1 47 ILE MG 2.710 . 3.620 2.338 2.310 2.363 . 0 0 "[ . 1]" 1
673 1 47 ILE HA 1 48 SER H 2.470 . 3.140 2.239 2.193 2.292 . 0 0 "[ . 1]" 1
674 1 47 ILE HB 1 47 ILE MD 2.730 . 3.660 2.288 2.247 2.321 . 0 0 "[ . 1]" 1
675 1 47 ILE HB 1 48 SER H 3.000 . 4.200 4.046 3.927 4.152 . 0 0 "[ . 1]" 1
676 1 47 ILE HB 1 49 CYS H 3.520 . 5.240 5.038 4.906 5.174 . 0 0 "[ . 1]" 1
677 1 47 ILE HG12 1 48 SER H 3.290 . 4.780 4.465 4.372 4.535 . 0 0 "[ . 1]" 1
678 1 47 ILE MG 1 48 SER H 2.500 . 3.190 2.450 2.243 2.664 . 0 0 "[ . 1]" 1
679 1 47 ILE MG 1 49 CYS H 3.260 . 4.720 3.987 3.760 4.167 . 0 0 "[ . 1]" 1
680 1 47 ILE MG 1 49 CYS HA 3.610 . 5.420 4.049 3.810 4.153 . 0 0 "[ . 1]" 1
681 1 48 SER H 1 48 SER QB 2.480 . 3.160 2.501 2.267 2.753 . 0 0 "[ . 1]" 1
682 1 48 SER HA 1 49 CYS H 2.250 . 2.700 2.154 2.108 2.201 . 0 0 "[ . 1]" 1
683 1 48 SER QB 1 49 CYS H 2.890 . 3.970 3.663 3.383 3.978 0.008 1 0 "[ . 1]" 1
684 1 49 CYS H 1 49 CYS HB2 2.650 . 3.500 2.484 2.443 2.531 . 0 0 "[ . 1]" 1
685 1 49 CYS H 1 49 CYS HB3 2.830 . 3.870 3.690 3.662 3.717 . 0 0 "[ . 1]" 1
686 1 49 CYS HA 1 50 CYS H 2.340 . 2.880 2.176 2.129 2.223 . 0 0 "[ . 1]" 1
687 1 49 CYS HB2 1 50 CYS H 3.560 . 5.330 3.993 3.867 4.127 . 0 0 "[ . 1]" 1
688 1 49 CYS HB2 1 50 CYS HA 3.650 . 5.500 4.723 4.619 4.777 . 0 0 "[ . 1]" 1
689 1 49 CYS HB3 1 50 CYS H 2.700 . 3.600 2.849 2.644 3.075 . 0 0 "[ . 1]" 1
690 1 50 CYS H 1 50 CYS QB 2.710 . 3.620 2.844 2.744 2.944 . 0 0 "[ . 1]" 1
691 1 50 CYS H 1 51 ASN HA 3.650 . 5.500 4.873 4.808 4.950 . 0 0 "[ . 1]" 1
692 1 50 CYS H 1 52 THR MG 3.650 . 5.500 4.809 4.415 5.200 . 0 0 "[ . 1]" 1
693 1 50 CYS HA 1 51 ASN H 2.480 . 3.150 2.214 2.168 2.257 . 0 0 "[ . 1]" 1
694 1 50 CYS HA 1 51 ASN HA 3.300 . 4.800 4.295 4.267 4.309 . 0 0 "[ . 1]" 1
695 1 50 CYS QB 1 51 ASN H 2.900 . 4.000 3.338 3.236 3.389 . 0 0 "[ . 1]" 1
696 1 51 ASN H 1 51 ASN QB 2.440 . 3.080 2.351 2.151 2.647 . 0 0 "[ . 1]" 1
697 1 51 ASN H 1 51 ASN QD 3.050 . 4.300 3.587 2.140 4.243 . 0 0 "[ . 1]" 1
698 1 51 ASN H 1 94 LEU QD 3.530 . 5.260 4.853 4.252 5.278 0.018 1 0 "[ . 1]" 1
699 1 51 ASN HA 1 52 THR H 2.000 . 2.590 2.156 2.133 2.187 . 0 0 "[ . 1]" 1
700 1 51 ASN HA 1 52 THR MG 3.020 . 4.250 3.574 3.401 3.820 . 0 0 "[ . 1]" 1
701 1 51 ASN HA 1 53 ALA H 2.830 . 3.870 3.544 3.416 3.862 . 0 0 "[ . 1]" 1
702 1 51 ASN QB 1 51 ASN QD 2.510 . 3.220 2.304 2.182 2.715 . 0 0 "[ . 1]" 1
703 1 51 ASN QB 1 52 THR H 2.710 . 3.610 3.324 3.035 3.720 0.110 10 0 "[ . 1]" 1
704 1 51 ASN QB 1 53 ALA H 2.910 . 4.020 3.129 2.565 3.943 . 0 0 "[ . 1]" 1
705 1 51 ASN QB 1 53 ALA MB 3.280 . 4.760 3.569 3.081 4.484 . 0 0 "[ . 1]" 1
706 1 51 ASN QB 1 55 ILE MD 3.280 . 4.760 4.287 3.846 4.813 0.053 8 0 "[ . 1]" 1
707 1 51 ASN QB 1 94 LEU QD 3.420 . 5.040 4.403 3.955 4.853 . 0 0 "[ . 1]" 1
708 1 51 ASN QD 1 53 ALA H 2.770 . 3.740 3.236 2.064 3.896 0.156 6 0 "[ . 1]" 1
709 1 51 ASN QD 1 53 ALA MB 3.000 . 4.590 3.334 1.850 4.747 0.157 6 0 "[ . 1]" 1
710 1 51 ASN QD 1 55 ILE H 3.530 . 5.260 4.830 4.213 5.315 0.055 7 0 "[ . 1]" 1
711 1 51 ASN QD 1 55 ILE MD 2.870 . 3.940 2.684 1.790 3.829 0.010 4 0 "[ . 1]" 1
712 1 51 ASN QD 1 55 ILE QG 3.360 . 4.920 3.152 2.741 3.899 . 0 0 "[ . 1]" 1
713 1 51 ASN QD 1 94 LEU HA 3.150 . 4.500 4.224 3.151 4.585 0.085 2 0 "[ . 1]" 1
714 1 51 ASN QD 1 94 LEU QD 3.300 . 4.800 3.025 2.330 3.811 . 0 0 "[ . 1]" 1
715 1 52 THR H 1 52 THR HB 2.940 . 4.080 3.672 3.604 3.779 . 0 0 "[ . 1]" 1
716 1 52 THR H 1 52 THR MG 2.630 . 3.460 2.472 2.160 3.011 . 0 0 "[ . 1]" 1
717 1 52 THR H 1 53 ALA H 2.420 . 3.040 2.294 2.124 2.559 . 0 0 "[ . 1]" 1
718 1 52 THR H 1 53 ALA MB 2.950 . 4.100 3.780 3.543 3.987 . 0 0 "[ . 1]" 1
719 1 52 THR H 1 94 LEU QD 3.210 . 4.620 4.444 4.152 4.677 0.057 6 0 "[ . 1]" 1
720 1 52 THR HA 1 52 THR HB 2.100 . 2.400 2.443 2.393 2.541 0.141 6 0 "[ . 1]" 1
721 1 52 THR HA 1 52 THR MG 2.670 . 3.530 2.384 2.255 2.469 . 0 0 "[ . 1]" 1
722 1 52 THR HA 1 94 LEU QD 3.080 . 4.370 2.571 2.138 3.092 . 0 0 "[ . 1]" 1
723 1 52 THR HB 1 53 ALA H 3.060 . 4.330 4.284 3.936 4.424 0.094 2 0 "[ . 1]" 1
724 1 52 THR HB 1 53 ALA HA 3.350 . 4.900 4.763 4.470 4.898 . 0 0 "[ . 1]" 1
725 1 52 THR MG 1 53 ALA H 2.970 . 4.140 4.092 3.936 4.244 0.104 8 0 "[ . 1]" 1
726 1 53 ALA H 1 53 ALA MB 2.360 . 2.920 2.272 2.212 2.446 . 0 0 "[ . 1]" 1
727 1 53 ALA H 1 54 ALA H 3.230 . 4.660 4.490 4.390 4.549 . 0 0 "[ . 1]" 1
728 1 53 ALA H 1 68 LEU QD 3.380 . 4.960 4.129 3.808 4.540 . 0 0 "[ . 1]" 1
729 1 53 ALA H 1 75 TYR QD 3.410 . 5.020 4.754 4.497 5.038 0.018 1 0 "[ . 1]" 1
730 1 53 ALA H 1 75 TYR QE 3.580 . 5.360 4.564 4.377 4.768 . 0 0 "[ . 1]" 1
731 1 53 ALA H 1 94 LEU QD 3.150 . 4.500 3.760 2.588 4.140 . 0 0 "[ . 1]" 1
732 1 53 ALA HA 1 54 ALA HA 3.650 . 5.500 4.383 4.355 4.407 . 0 0 "[ . 1]" 1
733 1 53 ALA MB 1 54 ALA H 2.620 . 3.440 3.137 2.986 3.254 . 0 0 "[ . 1]" 1
734 1 53 ALA MB 1 55 ILE MD 3.540 . 5.280 4.316 3.035 5.469 0.189 3 0 "[ . 1]" 1
735 1 53 ALA MB 1 68 LEU QD 2.540 . 3.280 2.101 1.941 2.342 . 0 0 "[ . 1]" 1
736 1 53 ALA MB 1 74 THR H 3.130 . 4.460 4.250 3.642 4.636 0.176 1 0 "[ . 1]" 1
737 1 53 ALA MB 1 74 THR HA 2.750 . 3.700 2.869 2.284 3.429 . 0 0 "[ . 1]" 1
738 1 53 ALA MB 1 75 TYR H 2.810 . 3.830 3.116 2.552 3.721 . 0 0 "[ . 1]" 1
739 1 53 ALA MB 1 75 TYR QD 2.940 . 4.080 2.105 2.046 2.235 . 0 0 "[ . 1]" 1
740 1 53 ALA MB 1 75 TYR QE 2.970 . 4.140 2.452 2.281 2.845 . 0 0 "[ . 1]" 1
741 1 54 ALA H 1 54 ALA MB 2.310 . 2.820 2.109 2.037 2.167 . 0 0 "[ . 1]" 1
742 1 54 ALA H 1 55 ILE H 3.270 . 4.740 4.621 4.574 4.680 . 0 0 "[ . 1]" 1
743 1 54 ALA H 1 75 TYR H 3.320 . 4.840 4.223 3.930 4.540 . 0 0 "[ . 1]" 1
744 1 54 ALA H 1 75 TYR QD 3.270 . 4.740 3.888 3.760 4.114 . 0 0 "[ . 1]" 1
745 1 54 ALA H 1 92 TRP HB2 3.650 . 5.500 5.592 5.410 5.699 0.199 9 0 "[ . 1]" 1
746 1 54 ALA H 1 94 LEU HB2 3.440 . 5.090 4.952 4.624 5.200 0.110 3 0 "[ . 1]" 1
747 1 54 ALA H 1 94 LEU QD 2.830 . 3.870 3.480 2.945 3.856 . 0 0 "[ . 1]" 1
748 1 54 ALA HA 1 55 ILE H 2.310 . 2.820 2.239 2.178 2.342 . 0 0 "[ . 1]" 1
749 1 54 ALA HA 1 94 LEU QD 2.920 . 4.040 2.658 2.123 3.433 . 0 0 "[ . 1]" 1
750 1 54 ALA MB 1 55 ILE H 2.580 . 3.360 2.933 2.745 3.149 . 0 0 "[ . 1]" 1
751 1 54 ALA MB 1 74 THR HA 3.470 . 5.140 5.185 4.814 5.307 0.167 2 0 "[ . 1]" 1
752 1 54 ALA MB 1 75 TYR H 3.010 . 4.220 4.304 3.914 4.437 0.217 4 0 "[ . 1]" 1
753 1 54 ALA MB 1 92 TRP H 3.480 . 5.160 5.050 4.745 5.243 0.083 10 0 "[ . 1]" 1
754 1 54 ALA MB 1 92 TRP HA 3.460 . 5.120 4.518 4.398 4.630 . 0 0 "[ . 1]" 1
755 1 54 ALA MB 1 92 TRP HB2 2.500 . 3.200 2.230 2.171 2.257 . 0 0 "[ . 1]" 1
756 1 54 ALA MB 1 92 TRP HB3 3.210 . 4.620 2.834 2.495 2.984 . 0 0 "[ . 1]" 1
757 1 54 ALA MB 1 92 TRP HD1 3.340 . 4.880 4.337 4.083 4.596 . 0 0 "[ . 1]" 1
758 1 54 ALA MB 1 92 TRP HE1 3.650 . 5.500 5.242 5.031 5.465 . 0 0 "[ . 1]" 1
759 1 54 ALA MB 1 92 TRP HE3 2.920 . 4.040 3.164 2.578 3.419 . 0 0 "[ . 1]" 1
760 1 54 ALA MB 1 92 TRP HZ3 3.620 . 5.450 4.682 4.045 4.946 . 0 0 "[ . 1]" 1
761 1 54 ALA MB 1 93 VAL H 2.790 . 3.780 3.717 3.247 3.873 0.093 9 0 "[ . 1]" 1
762 1 54 ALA MB 1 94 LEU QD 2.750 . 3.700 3.125 2.480 3.597 . 0 0 "[ . 1]" 1
763 1 55 ILE H 1 55 ILE HB 2.410 . 3.020 2.544 2.389 2.613 . 0 0 "[ . 1]" 1
764 1 55 ILE H 1 55 ILE MD 2.890 . 3.970 3.207 2.048 3.712 . 0 0 "[ . 1]" 1
765 1 55 ILE H 1 55 ILE QG 2.690 . 3.580 2.418 2.203 3.550 . 0 0 "[ . 1]" 1
766 1 55 ILE H 1 55 ILE MG 2.920 . 4.040 3.790 3.741 3.818 . 0 0 "[ . 1]" 1
767 1 55 ILE H 1 56 PRO HD2 3.210 . 4.620 4.724 4.657 4.804 0.184 1 0 "[ . 1]" 1
768 1 55 ILE H 1 56 PRO HD3 3.050 . 4.300 4.384 4.301 4.493 0.193 1 0 "[ . 1]" 1
769 1 55 ILE H 1 92 TRP HA 3.170 . 4.540 4.509 4.420 4.618 0.078 1 0 "[ . 1]" 1
770 1 55 ILE H 1 92 TRP HB2 3.420 . 5.040 3.450 3.378 3.625 . 0 0 "[ . 1]" 1
771 1 55 ILE H 1 92 TRP HB3 3.230 . 4.670 3.588 3.485 3.705 . 0 0 "[ . 1]" 1
772 1 55 ILE H 1 92 TRP HE3 3.650 . 5.500 5.553 5.404 5.619 0.119 4 0 "[ . 1]" 1
773 1 55 ILE H 1 93 VAL H 2.770 . 3.740 2.586 2.425 2.734 . 0 0 "[ . 1]" 1
774 1 55 ILE H 1 93 VAL HB 3.460 . 5.120 4.413 3.938 5.335 0.215 4 0 "[ . 1]" 1
775 1 55 ILE H 1 94 LEU H 3.420 . 5.040 4.896 4.775 5.105 0.065 1 0 "[ . 1]" 1
776 1 55 ILE H 1 94 LEU HB2 3.300 . 4.800 3.719 3.170 4.775 . 0 0 "[ . 1]" 1
777 1 55 ILE HA 1 55 ILE MD 3.300 . 4.800 3.023 2.083 3.851 . 0 0 "[ . 1]" 1
778 1 55 ILE HA 1 55 ILE MG 2.920 . 4.040 2.287 2.244 2.433 . 0 0 "[ . 1]" 1
779 1 55 ILE HA 1 56 PRO HD2 2.550 . 3.300 2.118 2.078 2.153 . 0 0 "[ . 1]" 1
780 1 55 ILE HA 1 56 PRO HD3 2.650 . 3.500 2.751 2.610 2.852 . 0 0 "[ . 1]" 1
781 1 55 ILE HA 1 75 TYR QD 3.100 . 4.400 3.519 3.373 3.693 . 0 0 "[ . 1]" 1
782 1 55 ILE HA 1 75 TYR QE 3.650 . 5.500 4.188 4.084 4.321 . 0 0 "[ . 1]" 1
783 1 55 ILE HB 1 93 VAL H 2.750 . 3.700 2.887 2.578 3.267 . 0 0 "[ . 1]" 1
784 1 55 ILE HB 1 93 VAL HB 3.130 . 4.460 3.211 2.321 4.615 0.155 4 0 "[ . 1]" 1
785 1 55 ILE MD 1 55 ILE MG 2.540 . 3.280 2.047 1.823 3.247 . 0 0 "[ . 1]" 1
786 1 55 ILE MD 1 56 PRO HD2 3.650 . 5.500 4.518 3.430 5.486 . 0 0 "[ . 1]" 1
787 1 55 ILE MD 1 75 TYR QD 3.650 . 5.500 4.034 2.655 5.374 . 0 0 "[ . 1]" 1
788 1 55 ILE MD 1 75 TYR QE 3.650 . 5.500 3.448 2.173 4.642 . 0 0 "[ . 1]" 1
789 1 55 ILE QG 1 55 ILE MG 2.570 . 3.340 2.236 2.080 2.301 . 0 0 "[ . 1]" 1
790 1 55 ILE MG 1 56 PRO HD2 2.960 . 4.120 3.044 2.754 3.215 . 0 0 "[ . 1]" 1
791 1 55 ILE MG 1 56 PRO HD3 3.170 . 4.540 4.178 3.967 4.316 . 0 0 "[ . 1]" 1
792 1 55 ILE MG 1 56 PRO HG2 3.130 . 4.460 4.203 4.015 4.399 . 0 0 "[ . 1]" 1
793 1 55 ILE MG 1 57 THR H 3.560 . 5.320 5.203 4.942 5.324 0.004 6 0 "[ . 1]" 1
794 1 55 ILE MG 1 75 TYR HB2 3.650 . 5.500 5.361 5.016 5.611 0.111 5 0 "[ . 1]" 1
795 1 55 ILE MG 1 75 TYR QD 3.500 . 5.200 4.417 4.076 4.658 . 0 0 "[ . 1]" 1
796 1 55 ILE MG 1 75 TYR QE 3.650 . 5.500 4.186 3.631 4.490 . 0 0 "[ . 1]" 1
797 1 55 ILE MG 1 92 TRP HB3 3.500 . 5.210 4.844 4.695 4.949 . 0 0 "[ . 1]" 1
798 1 55 ILE MG 1 93 VAL H 3.100 . 4.400 4.038 3.625 4.438 0.038 3 0 "[ . 1]" 1
799 1 56 PRO HA 1 57 THR H 2.310 . 2.820 2.352 2.295 2.400 . 0 0 "[ . 1]" 1
800 1 56 PRO HA 1 77 VAL QG 3.620 . 5.440 4.656 4.467 4.826 . 0 0 "[ . 1]" 1
801 1 56 PRO HA 1 89 VAL QG 3.120 . 4.450 3.556 2.551 3.980 . 0 0 "[ . 1]" 1
802 1 56 PRO HA 1 91 GLY H 3.150 . 4.500 4.383 4.332 4.453 . 0 0 "[ . 1]" 1
803 1 56 PRO HA 1 92 TRP H 3.400 . 5.000 4.248 3.800 4.540 . 0 0 "[ . 1]" 1
804 1 56 PRO HA 1 92 TRP HA 2.750 . 3.700 2.265 2.228 2.290 . 0 0 "[ . 1]" 1
805 1 56 PRO HA 1 92 TRP HD1 3.510 . 5.220 2.536 2.403 2.929 . 0 0 "[ . 1]" 1
806 1 56 PRO HA 1 93 VAL H 2.890 . 3.970 4.007 3.948 4.090 0.120 3 0 "[ . 1]" 1
807 1 56 PRO HB2 1 57 THR H 2.730 . 3.660 2.907 2.739 3.093 . 0 0 "[ . 1]" 1
808 1 56 PRO HB2 1 59 TYR QD 3.070 . 4.340 3.313 3.025 3.520 . 0 0 "[ . 1]" 1
809 1 56 PRO HB2 1 59 TYR QE 3.480 . 5.160 4.139 3.661 4.423 . 0 0 "[ . 1]" 1
810 1 56 PRO HB2 1 77 VAL QG 2.990 . 4.180 2.519 2.286 2.733 . 0 0 "[ . 1]" 1
811 1 56 PRO HB2 1 89 VAL QG 2.750 . 3.690 2.110 1.922 2.379 . 0 0 "[ . 1]" 1
812 1 56 PRO HB3 1 77 VAL QG 3.030 . 4.260 3.397 3.094 3.720 . 0 0 "[ . 1]" 1
813 1 56 PRO HB3 1 89 VAL QG 2.940 . 4.090 2.523 2.153 2.844 . 0 0 "[ . 1]" 1
814 1 56 PRO HB3 1 92 TRP HA 3.650 . 5.500 4.449 4.347 4.508 . 0 0 "[ . 1]" 1
815 1 56 PRO HB3 1 92 TRP HB3 3.650 . 5.500 3.527 3.298 3.670 . 0 0 "[ . 1]" 1
816 1 56 PRO HB3 1 92 TRP HD1 3.570 . 5.340 2.439 2.342 2.542 . 0 0 "[ . 1]" 1
817 1 56 PRO HB3 1 92 TRP HE1 3.210 . 4.620 4.560 4.351 4.688 0.068 7 0 "[ . 1]" 1
818 1 56 PRO HD2 1 75 TYR QD 3.030 . 4.260 3.306 2.897 3.611 . 0 0 "[ . 1]" 1
819 1 56 PRO HD2 1 92 TRP HD1 3.650 . 5.500 5.601 5.517 5.661 0.161 4 0 "[ . 1]" 1
820 1 56 PRO HD3 1 75 TYR HB2 3.250 . 4.700 2.606 2.314 2.867 . 0 0 "[ . 1]" 1
821 1 56 PRO HD3 1 75 TYR HB3 3.170 . 4.540 2.326 2.263 2.522 . 0 0 "[ . 1]" 1
822 1 56 PRO HD3 1 75 TYR QD 3.130 . 4.460 3.762 3.663 3.846 . 0 0 "[ . 1]" 1
823 1 56 PRO HD3 1 77 VAL QG 3.540 . 5.290 4.288 4.050 4.509 . 0 0 "[ . 1]" 1
824 1 56 PRO HD3 1 92 TRP HD1 3.170 . 4.550 4.306 4.109 4.414 . 0 0 "[ . 1]" 1
825 1 56 PRO HG2 1 57 THR H 3.310 . 4.830 4.649 4.522 4.769 . 0 0 "[ . 1]" 1
826 1 56 PRO HG2 1 59 TYR QE 3.060 . 4.320 3.781 3.393 4.021 . 0 0 "[ . 1]" 1
827 1 56 PRO HG2 1 75 TYR QD 3.650 . 5.500 4.119 3.667 4.663 . 0 0 "[ . 1]" 1
828 1 56 PRO HG2 1 76 THR H 3.560 . 5.330 5.045 4.584 5.285 . 0 0 "[ . 1]" 1
829 1 56 PRO HG3 1 57 THR H 3.650 . 5.500 5.290 5.172 5.415 . 0 0 "[ . 1]" 1
830 1 56 PRO HG3 1 59 TYR QE 3.650 . 5.500 5.442 5.039 5.680 0.180 3 0 "[ . 1]" 1
831 1 56 PRO HG3 1 76 THR H 3.170 . 4.540 4.231 3.828 4.450 . 0 0 "[ . 1]" 1
832 1 56 PRO HG3 1 77 VAL H 3.460 . 5.130 4.724 4.419 5.071 . 0 0 "[ . 1]" 1
833 1 56 PRO HG3 1 77 VAL QG 2.670 . 3.540 2.442 2.175 2.702 . 0 0 "[ . 1]" 1
834 1 56 PRO HG3 1 89 VAL QG 3.230 . 4.660 3.462 3.341 3.774 . 0 0 "[ . 1]" 1
835 1 57 THR H 1 57 THR HB 2.890 . 3.980 3.496 3.127 3.959 . 0 0 "[ . 1]" 1
836 1 57 THR H 1 57 THR MG 2.430 . 3.060 2.390 2.266 2.561 . 0 0 "[ . 1]" 1
837 1 57 THR H 1 58 GLY H 3.560 . 5.320 4.373 4.328 4.436 . 0 0 "[ . 1]" 1
838 1 57 THR H 1 59 TYR QB 3.650 . 5.500 5.199 4.789 5.468 . 0 0 "[ . 1]" 1
839 1 57 THR H 1 59 TYR QD 3.330 . 4.870 3.741 3.492 3.943 . 0 0 "[ . 1]" 1
840 1 57 THR H 1 59 TYR QE 3.650 . 5.500 4.522 4.178 4.877 . 0 0 "[ . 1]" 1
841 1 57 THR H 1 77 VAL QG 3.470 . 5.140 4.570 4.312 4.891 . 0 0 "[ . 1]" 1
842 1 57 THR H 1 89 VAL HA 3.360 . 4.920 3.933 3.742 4.117 . 0 0 "[ . 1]" 1
843 1 57 THR H 1 89 VAL HB 3.650 . 5.500 3.237 2.619 4.970 . 0 0 "[ . 1]" 1
844 1 57 THR H 1 89 VAL QG 2.480 . 3.160 3.018 1.887 3.379 0.219 3 0 "[ . 1]" 1
845 1 57 THR H 1 91 GLY H 2.760 . 3.720 3.120 2.907 3.233 . 0 0 "[ . 1]" 1
846 1 57 THR H 1 91 GLY HA2 3.360 . 4.920 5.031 4.838 5.242 0.322 5 0 "[ . 1]" 1
847 1 57 THR H 1 91 GLY HA3 3.530 . 5.260 4.982 4.727 5.115 . 0 0 "[ . 1]" 1
848 1 57 THR H 1 92 TRP H 3.650 . 5.500 4.936 4.488 5.250 . 0 0 "[ . 1]" 1
849 1 57 THR H 1 92 TRP HA 2.660 . 3.520 3.393 3.222 3.524 0.004 8 0 "[ . 1]" 1
850 1 57 THR H 1 93 VAL H 3.600 . 5.400 5.547 5.512 5.632 0.232 8 0 "[ . 1]" 1
851 1 57 THR HA 1 57 THR MG 2.900 . 4.000 3.080 2.618 3.195 . 0 0 "[ . 1]" 1
852 1 57 THR HA 1 59 TYR H 2.770 . 3.740 3.058 2.996 3.177 . 0 0 "[ . 1]" 1
853 1 57 THR HA 1 59 TYR QD 3.190 . 4.590 2.567 2.319 2.675 . 0 0 "[ . 1]" 1
854 1 57 THR HA 1 59 TYR QE 3.150 . 4.500 2.409 2.318 2.723 . 0 0 "[ . 1]" 1
855 1 57 THR HA 1 89 VAL QG 3.380 . 4.960 4.146 3.604 4.492 . 0 0 "[ . 1]" 1
856 1 57 THR HA 1 90 THR H 3.440 . 5.080 5.104 4.791 5.271 0.191 7 0 "[ . 1]" 1
857 1 57 THR HB 1 58 GLY H 2.880 . 3.960 3.348 2.562 3.805 . 0 0 "[ . 1]" 1
858 1 57 THR HB 1 59 TYR H 3.650 . 5.500 5.116 4.670 5.447 . 0 0 "[ . 1]" 1
859 1 57 THR MG 1 58 GLY H 2.880 . 3.960 3.167 2.726 4.015 0.055 3 0 "[ . 1]" 1
860 1 57 THR MG 1 59 TYR H 3.600 . 5.400 4.653 4.403 5.214 . 0 0 "[ . 1]" 1
861 1 57 THR MG 1 91 GLY H 2.830 . 3.850 3.439 3.048 4.107 0.257 2 0 "[ . 1]" 1
862 1 57 THR MG 1 92 TRP HA 3.230 . 4.660 2.818 2.303 3.577 . 0 0 "[ . 1]" 1
863 1 58 GLY H 1 59 TYR H 2.770 . 3.740 2.667 2.533 2.795 . 0 0 "[ . 1]" 1
864 1 58 GLY QA 1 59 TYR H 2.620 . 3.450 2.943 2.928 2.956 . 0 0 "[ . 1]" 1
865 1 58 GLY QA 1 90 THR H 2.920 . 4.040 2.808 2.472 3.140 . 0 0 "[ . 1]" 1
866 1 59 TYR H 1 59 TYR QB 2.560 . 3.320 2.614 2.379 2.717 . 0 0 "[ . 1]" 1
867 1 59 TYR H 1 59 TYR QD 2.400 . 3.000 2.287 2.020 2.537 . 0 0 "[ . 1]" 1
868 1 59 TYR H 1 59 TYR QE 3.040 . 4.280 3.882 3.757 4.065 . 0 0 "[ . 1]" 1
869 1 59 TYR H 1 60 ASP H 3.230 . 4.670 4.539 4.441 4.575 . 0 0 "[ . 1]" 1
870 1 59 TYR H 1 61 THR MG 3.650 . 5.500 4.139 3.791 4.519 . 0 0 "[ . 1]" 1
871 1 59 TYR H 1 77 VAL QG 3.000 . 4.590 4.147 3.958 4.362 . 0 0 "[ . 1]" 1
872 1 59 TYR H 1 87 CYS QB 3.560 . 5.320 5.573 5.408 5.789 0.469 7 0 "[ . 1]" 1
873 1 59 TYR H 1 88 ASP QB 3.570 . 5.340 5.528 5.425 5.725 0.385 7 0 "[ . 1]" 1
874 1 59 TYR H 1 89 VAL QG 3.040 . 4.290 3.761 3.525 4.015 . 0 0 "[ . 1]" 1
875 1 59 TYR H 1 90 THR MG 3.000 . 4.590 4.702 4.417 4.940 0.350 8 0 "[ . 1]" 1
876 1 59 TYR HA 1 59 TYR QD 3.190 2.190 43.190 3.703 3.694 3.714 . 0 0 "[ . 1]" 1
877 1 59 TYR HA 1 60 ASP H 2.460 . 3.120 2.518 2.368 2.657 . 0 0 "[ . 1]" 1
878 1 59 TYR HA 1 77 VAL QG 3.460 . 5.120 4.205 4.083 4.667 . 0 0 "[ . 1]" 1
879 1 59 TYR HA 1 89 VAL HA 3.130 . 4.460 3.895 3.671 4.026 . 0 0 "[ . 1]" 1
880 1 59 TYR HA 1 90 THR H 3.610 . 5.420 5.380 5.160 5.575 0.155 8 0 "[ . 1]" 1
881 1 59 TYR QB 1 60 ASP H 2.440 . 3.070 2.179 2.072 2.379 . 0 0 "[ . 1]" 1
882 1 59 TYR QB 1 77 VAL QG 2.920 . 4.040 2.152 2.033 2.604 . 0 0 "[ . 1]" 1
883 1 59 TYR QB 1 89 VAL HA 2.900 . 4.000 3.361 2.813 3.567 . 0 0 "[ . 1]" 1
884 1 59 TYR QB 1 89 VAL QG 3.070 . 4.340 2.570 2.299 2.948 . 0 0 "[ . 1]" 1
885 1 59 TYR QB 1 90 THR H 3.540 . 5.290 5.135 4.608 5.380 0.090 10 0 "[ . 1]" 1
886 1 59 TYR QD 1 60 ASP H 2.790 . 3.770 2.950 2.239 3.180 . 0 0 "[ . 1]" 1
887 1 59 TYR QD 1 61 THR H 3.210 . 4.620 3.562 3.197 3.992 . 0 0 "[ . 1]" 1
888 1 59 TYR QD 1 61 THR HA 3.150 . 4.500 3.000 2.825 3.603 . 0 0 "[ . 1]" 1
889 1 59 TYR QD 1 61 THR MG 3.380 . 4.960 3.263 3.104 3.458 . 0 0 "[ . 1]" 1
890 1 59 TYR QD 1 64 CYS H 3.110 . 4.420 3.887 3.311 4.338 . 0 0 "[ . 1]" 1
891 1 59 TYR QD 1 64 CYS HB2 2.730 . 3.650 2.306 2.268 2.374 . 0 0 "[ . 1]" 1
892 1 59 TYR QD 1 64 CYS HB3 3.020 . 4.240 3.574 3.229 4.024 . 0 0 "[ . 1]" 1
893 1 59 TYR QD 1 65 GLN H 3.650 . 5.500 4.729 4.279 4.975 . 0 0 "[ . 1]" 1
894 1 59 TYR QD 1 77 VAL QG 3.040 . 4.280 2.547 2.234 2.764 . 0 0 "[ . 1]" 1
895 1 59 TYR QD 1 87 CYS QB 3.310 . 4.820 4.137 3.575 4.370 . 0 0 "[ . 1]" 1
896 1 59 TYR QD 1 89 VAL QG 3.040 . 4.280 2.695 2.291 3.072 . 0 0 "[ . 1]" 1
897 1 59 TYR QD 1 90 THR H 3.630 . 5.460 5.102 4.982 5.336 . 0 0 "[ . 1]" 1
898 1 59 TYR QE 1 60 ASP H 3.500 . 5.200 5.232 4.524 5.428 0.228 2 0 "[ . 1]" 1
899 1 59 TYR QE 1 61 THR H 3.480 . 5.160 4.306 4.079 4.574 . 0 0 "[ . 1]" 1
900 1 59 TYR QE 1 61 THR HA 2.900 . 4.000 2.298 2.261 2.322 . 0 0 "[ . 1]" 1
901 1 59 TYR QE 1 61 THR HB 3.270 . 4.750 3.966 3.759 4.365 . 0 0 "[ . 1]" 1
902 1 59 TYR QE 1 61 THR MG 3.000 . 4.210 2.528 2.221 2.906 . 0 0 "[ . 1]" 1
903 1 59 TYR QE 1 64 CYS H 3.350 . 4.900 4.752 3.341 5.164 0.264 3 0 "[ . 1]" 1
904 1 59 TYR QE 1 64 CYS HB2 3.160 . 4.520 3.978 2.663 4.270 . 0 0 "[ . 1]" 1
905 1 59 TYR QE 1 64 CYS HB3 3.620 . 5.440 4.820 4.249 5.183 . 0 0 "[ . 1]" 1
906 1 59 TYR QE 1 65 GLN HA 3.150 . 4.500 3.262 2.476 4.179 . 0 0 "[ . 1]" 1
907 1 59 TYR QE 1 66 LYS H 3.360 . 4.920 4.297 3.813 4.921 0.001 3 0 "[ . 1]" 1
908 1 59 TYR QE 1 66 LYS QD 3.290 . 4.790 3.596 2.493 4.843 0.053 8 0 "[ . 1]" 1
909 1 59 TYR QE 1 77 VAL QG 3.280 . 4.760 3.225 2.954 3.567 . 0 0 "[ . 1]" 1
910 1 60 ASP H 1 60 ASP HB2 2.460 . 3.110 2.484 2.357 2.579 . 0 0 "[ . 1]" 1
911 1 60 ASP H 1 60 ASP HB3 2.880 . 3.960 3.604 3.571 3.643 . 0 0 "[ . 1]" 1
912 1 60 ASP H 1 61 THR H 3.150 . 4.500 4.129 4.062 4.226 . 0 0 "[ . 1]" 1
913 1 60 ASP H 1 61 THR HA 3.630 . 5.460 5.173 5.094 5.227 . 0 0 "[ . 1]" 1
914 1 60 ASP H 1 63 LYS QB 3.330 . 4.860 4.643 4.519 4.689 . 0 0 "[ . 1]" 1
915 1 60 ASP H 1 64 CYS HB2 3.270 . 4.740 3.008 2.533 4.048 . 0 0 "[ . 1]" 1
916 1 60 ASP H 1 77 VAL QG 3.150 . 4.500 4.059 3.929 4.151 . 0 0 "[ . 1]" 1
917 1 60 ASP H 1 87 CYS QB 2.860 . 3.920 3.549 3.114 3.955 0.035 9 0 "[ . 1]" 1
918 1 60 ASP H 1 89 VAL QG 3.620 . 5.440 5.433 5.169 5.728 0.288 5 0 "[ . 1]" 1
919 1 60 ASP HA 1 61 THR H 2.330 . 2.860 2.184 2.166 2.213 . 0 0 "[ . 1]" 1
920 1 60 ASP HA 1 62 ASN H 2.850 . 3.910 3.288 3.164 3.504 . 0 0 "[ . 1]" 1
921 1 60 ASP HB2 1 62 ASN H 3.450 . 5.100 4.199 3.948 4.440 . 0 0 "[ . 1]" 1
922 1 60 ASP HB2 1 63 LYS H 2.940 . 4.080 3.082 2.763 3.425 . 0 0 "[ . 1]" 1
923 1 60 ASP HB2 1 64 CYS H 2.980 . 4.170 3.027 2.123 3.748 . 0 0 "[ . 1]" 1
924 1 60 ASP HB3 1 61 THR H 2.820 . 3.840 3.925 3.839 3.964 0.124 6 0 "[ . 1]" 1
925 1 60 ASP HB3 1 63 LYS H 3.010 . 4.220 2.554 2.260 2.937 . 0 0 "[ . 1]" 1
926 1 60 ASP HB3 1 63 LYS QB 2.820 . 3.840 2.255 2.108 2.347 . 0 0 "[ . 1]" 1
927 1 60 ASP HB3 1 64 CYS H 2.950 . 4.100 3.590 2.832 4.154 0.054 1 0 "[ . 1]" 1
928 1 61 THR H 1 61 THR MG 2.420 . 3.040 2.049 1.876 2.231 . 0 0 "[ . 1]" 1
929 1 61 THR H 1 62 ASN H 2.600 . 3.410 2.704 2.579 2.789 . 0 0 "[ . 1]" 1
930 1 61 THR H 1 63 LYS H 3.000 . 4.200 4.069 3.948 4.150 . 0 0 "[ . 1]" 1
931 1 61 THR HA 1 61 THR HB 2.380 . 2.960 2.469 2.433 2.527 . 0 0 "[ . 1]" 1
932 1 61 THR HA 1 61 THR MG 2.790 . 3.780 2.322 2.251 2.364 . 0 0 "[ . 1]" 1
933 1 61 THR HA 1 64 CYS H 2.760 . 3.720 3.816 3.724 3.921 0.201 6 0 "[ . 1]" 1
934 1 61 THR HB 1 62 ASN H 3.150 . 4.500 4.111 3.888 4.257 . 0 0 "[ . 1]" 1
935 1 61 THR MG 1 62 ASN H 2.960 . 4.120 4.046 3.951 4.138 0.018 7 0 "[ . 1]" 1
936 1 61 THR MG 1 64 CYS H 3.500 . 5.200 5.303 5.204 5.393 0.193 8 0 "[ . 1]" 1
937 1 62 ASN H 1 62 ASN QB 2.300 . 2.800 2.404 2.297 2.462 . 0 0 "[ . 1]" 1
938 1 62 ASN H 1 63 LYS H 2.000 . 2.590 2.165 2.062 2.231 . 0 0 "[ . 1]" 1
939 1 62 ASN H 1 63 LYS HA 3.360 . 4.920 4.887 4.762 4.940 0.020 8 0 "[ . 1]" 1
940 1 62 ASN H 1 63 LYS QB 2.980 . 4.160 4.086 3.838 4.229 0.069 5 0 "[ . 1]" 1
941 1 62 ASN H 1 64 CYS H 2.760 . 3.720 3.742 3.560 3.893 0.173 9 0 "[ . 1]" 1
942 1 62 ASN H 1 80 LYS QD 3.650 . 5.500 5.517 4.777 5.708 0.208 5 0 "[ . 1]" 1
943 1 62 ASN QB 1 63 LYS H 2.600 . 3.400 3.186 3.071 3.333 . 0 0 "[ . 1]" 1
944 1 62 ASN QB 1 64 CYS H 3.460 . 5.120 4.915 4.709 5.145 0.025 7 0 "[ . 1]" 1
945 1 63 LYS H 1 63 LYS QB 2.320 . 2.840 2.574 2.430 2.655 . 0 0 "[ . 1]" 1
946 1 63 LYS H 1 63 LYS QG 3.130 . 4.460 3.377 2.813 4.181 . 0 0 "[ . 1]" 1
947 1 63 LYS H 1 64 CYS H 2.380 . 2.960 2.089 1.928 2.221 . 0 0 "[ . 1]" 1
948 1 63 LYS H 1 64 CYS HB2 3.330 . 4.870 4.279 3.794 4.916 0.046 9 0 "[ . 1]" 1
949 1 63 LYS HA 1 80 LYS QD 3.400 . 5.000 3.145 2.514 4.389 . 0 0 "[ . 1]" 1
950 1 63 LYS QB 1 63 LYS QE 2.710 . 3.610 2.855 2.164 3.669 0.059 6 0 "[ . 1]" 1
951 1 63 LYS QB 1 64 CYS H 2.620 . 3.440 3.090 2.468 3.658 0.218 3 0 "[ . 1]" 1
952 1 63 LYS QE 1 63 LYS QG 2.610 . 3.420 2.254 2.118 2.538 . 0 0 "[ . 1]" 1
953 1 63 LYS QG 1 64 CYS H 3.440 . 5.090 4.299 3.952 4.864 . 0 0 "[ . 1]" 1
954 1 64 CYS H 1 64 CYS HB2 2.560 . 3.320 2.850 2.343 3.084 . 0 0 "[ . 1]" 1
955 1 64 CYS H 1 65 GLN H 3.100 . 4.400 4.445 4.385 4.504 0.104 4 0 "[ . 1]" 1
956 1 64 CYS H 1 65 GLN HG2 3.650 . 5.500 5.332 5.117 5.602 0.102 6 0 "[ . 1]" 1
957 1 64 CYS H 1 77 VAL QG 3.420 . 5.040 4.976 4.425 5.335 0.295 8 0 "[ . 1]" 1
958 1 64 CYS H 1 80 LYS H 3.270 . 4.740 4.187 3.847 4.594 . 0 0 "[ . 1]" 1
959 1 64 CYS H 1 80 LYS QD 2.970 . 4.140 3.620 2.626 4.209 0.069 4 0 "[ . 1]" 1
960 1 64 CYS H 1 80 LYS QE 3.180 . 4.560 4.062 2.012 4.732 0.172 1 0 "[ . 1]" 1
961 1 64 CYS H 1 80 LYS QG 2.930 . 4.060 3.517 2.774 4.200 0.140 7 0 "[ . 1]" 1
962 1 64 CYS HA 1 65 GLN H 2.400 . 3.000 2.401 2.291 2.542 . 0 0 "[ . 1]" 1
963 1 64 CYS HA 1 65 GLN HA 3.370 . 4.940 4.494 4.467 4.545 . 0 0 "[ . 1]" 1
964 1 64 CYS HA 1 65 GLN HG2 3.380 . 4.960 3.185 2.980 3.352 . 0 0 "[ . 1]" 1
965 1 64 CYS HA 1 65 GLN HG3 3.650 . 5.500 4.497 4.013 4.835 . 0 0 "[ . 1]" 1
966 1 64 CYS HA 1 77 VAL QG 3.480 . 5.160 3.977 3.764 4.261 . 0 0 "[ . 1]" 1
967 1 64 CYS HA 1 78 VAL H 3.500 . 5.200 4.673 4.504 4.856 . 0 0 "[ . 1]" 1
968 1 64 CYS HA 1 78 VAL HA 3.650 . 5.500 5.268 5.135 5.375 . 0 0 "[ . 1]" 1
969 1 64 CYS HA 1 79 GLU H 3.260 . 4.720 4.639 4.522 4.697 . 0 0 "[ . 1]" 1
970 1 64 CYS HA 1 79 GLU HA 2.500 . 3.200 2.271 2.227 2.322 . 0 0 "[ . 1]" 1
971 1 64 CYS HA 1 79 GLU HB2 3.650 . 5.500 5.189 5.076 5.312 . 0 0 "[ . 1]" 1
972 1 64 CYS HA 1 79 GLU QG 3.430 . 5.060 4.340 4.055 4.722 . 0 0 "[ . 1]" 1
973 1 64 CYS HA 1 80 LYS H 2.610 . 3.420 2.251 2.108 2.441 . 0 0 "[ . 1]" 1
974 1 64 CYS HA 1 80 LYS QG 2.940 . 4.080 2.487 2.310 2.803 . 0 0 "[ . 1]" 1
975 1 64 CYS HB2 1 65 GLN H 2.780 . 3.760 3.430 2.703 3.790 0.030 3 0 "[ . 1]" 1
976 1 64 CYS HB2 1 77 VAL QG 2.790 . 3.780 2.928 2.134 3.294 . 0 0 "[ . 1]" 1
977 1 64 CYS HB3 1 65 GLN H 2.580 . 3.370 2.368 2.030 2.568 . 0 0 "[ . 1]" 1
978 1 64 CYS HB3 1 77 VAL QG 2.780 . 3.760 2.191 2.064 2.311 . 0 0 "[ . 1]" 1
979 1 64 CYS HB3 1 78 VAL H 2.980 . 4.160 3.768 3.229 4.182 0.022 1 0 "[ . 1]" 1
980 1 64 CYS HB3 1 79 GLU HA 3.170 . 4.540 3.503 2.831 4.003 . 0 0 "[ . 1]" 1
981 1 64 CYS HB3 1 80 LYS H 3.080 . 4.370 4.528 4.174 4.721 0.351 10 0 "[ . 1]" 1
982 1 65 GLN H 1 65 GLN HE21 3.650 . 5.500 4.723 4.499 4.915 . 0 0 "[ . 1]" 1
983 1 65 GLN H 1 65 GLN HG2 2.690 . 3.580 2.322 2.148 2.556 . 0 0 "[ . 1]" 1
984 1 65 GLN H 1 65 GLN HG3 2.620 . 3.440 2.738 2.411 3.041 . 0 0 "[ . 1]" 1
985 1 65 GLN H 1 66 LYS H 3.120 . 4.440 4.391 4.284 4.451 0.011 1 0 "[ . 1]" 1
986 1 65 GLN H 1 66 LYS QD 3.570 . 5.340 5.321 4.946 5.623 0.283 8 0 "[ . 1]" 1
987 1 65 GLN H 1 77 VAL HA 3.270 . 4.740 4.149 3.947 4.305 . 0 0 "[ . 1]" 1
988 1 65 GLN H 1 77 VAL HB 3.650 . 5.500 5.585 5.428 5.678 0.178 6 0 "[ . 1]" 1
989 1 65 GLN H 1 77 VAL QG 2.750 . 3.700 2.815 2.558 3.014 . 0 0 "[ . 1]" 1
990 1 65 GLN H 1 78 VAL H 2.690 . 3.580 2.973 2.698 3.131 . 0 0 "[ . 1]" 1
991 1 65 GLN H 1 78 VAL HB 3.650 . 5.500 5.605 5.502 5.656 0.156 2 0 "[ . 1]" 1
992 1 65 GLN H 1 78 VAL MG2 2.850 . 3.900 3.770 3.607 3.933 0.033 6 0 "[ . 1]" 1
993 1 65 GLN H 1 79 GLU HA 2.850 . 3.890 3.965 3.913 4.053 0.163 9 0 "[ . 1]" 1
994 1 65 GLN H 1 79 GLU QG 3.650 . 5.500 5.579 5.453 5.773 0.273 6 0 "[ . 1]" 1
995 1 65 GLN H 1 80 LYS H 3.050 . 4.300 4.093 3.628 4.380 0.080 7 0 "[ . 1]" 1
996 1 65 GLN H 1 80 LYS QD 3.650 . 5.500 5.169 4.694 5.525 0.025 2 0 "[ . 1]" 1
997 1 65 GLN H 1 80 LYS QG 3.010 . 4.220 3.515 3.189 3.981 . 0 0 "[ . 1]" 1
998 1 65 GLN HA 1 65 GLN HG3 2.830 . 3.860 3.731 3.662 3.757 . 0 0 "[ . 1]" 1
999 1 65 GLN HA 1 66 LYS HA 3.480 . 5.160 4.372 4.347 4.420 . 0 0 "[ . 1]" 1
1000 1 65 GLN HA 1 77 VAL QG 3.620 . 5.440 3.730 3.579 3.853 . 0 0 "[ . 1]" 1
1001 1 65 GLN QB 1 65 GLN HE21 3.110 . 4.420 3.825 3.369 3.939 . 0 0 "[ . 1]" 1
1002 1 65 GLN QB 1 65 GLN HE22 3.150 . 4.500 4.055 3.832 4.114 . 0 0 "[ . 1]" 1
1003 1 65 GLN QB 1 66 LYS H 2.770 . 3.740 2.572 2.231 2.920 . 0 0 "[ . 1]" 1
1004 1 65 GLN QB 1 67 ILE MD 3.150 . 4.500 3.638 2.606 4.305 . 0 0 "[ . 1]" 1
1005 1 65 GLN QB 1 78 VAL H 3.570 . 5.340 4.968 4.834 5.084 . 0 0 "[ . 1]" 1
1006 1 65 GLN HE21 1 67 ILE MD 2.850 . 3.900 2.607 1.792 3.558 0.008 2 0 "[ . 1]" 1
1007 1 65 GLN HE21 1 67 ILE QG 3.310 . 4.830 3.253 2.631 3.830 . 0 0 "[ . 1]" 1
1008 1 65 GLN HE21 1 78 VAL MG2 3.070 . 4.340 2.856 2.424 3.266 . 0 0 "[ . 1]" 1
1009 1 65 GLN HE21 1 80 LYS HA 3.170 . 4.550 3.355 2.722 4.378 . 0 0 "[ . 1]" 1
1010 1 65 GLN HE22 1 65 GLN HG3 2.710 . 3.620 3.579 3.500 3.636 0.016 3 0 "[ . 1]" 1
1011 1 65 GLN HE22 1 67 ILE MD 2.790 . 3.780 3.116 2.706 3.538 . 0 0 "[ . 1]" 1
1012 1 65 GLN HE22 1 67 ILE QG 3.140 . 4.480 3.965 3.458 4.312 . 0 0 "[ . 1]" 1
1013 1 65 GLN HE22 1 80 LYS HA 3.120 . 4.440 3.626 3.197 4.347 . 0 0 "[ . 1]" 1
1014 1 65 GLN HG2 1 78 VAL MG2 3.000 . 4.210 3.549 3.012 4.043 . 0 0 "[ . 1]" 1
1015 1 65 GLN HG2 1 79 GLU HA 3.100 . 4.400 4.458 4.355 4.504 0.104 8 0 "[ . 1]" 1
1016 1 65 GLN HG2 1 80 LYS H 2.730 . 3.660 3.584 3.362 3.723 0.063 8 0 "[ . 1]" 1
1017 1 65 GLN HG2 1 80 LYS HA 2.920 . 4.040 2.908 2.292 3.183 . 0 0 "[ . 1]" 1
1018 1 65 GLN HG3 1 66 LYS H 3.060 . 4.330 4.160 3.875 4.344 0.014 7 0 "[ . 1]" 1
1019 1 65 GLN HG3 1 67 ILE H 3.650 . 5.500 4.909 4.570 5.281 . 0 0 "[ . 1]" 1
1020 1 65 GLN HG3 1 67 ILE MD 3.130 . 4.460 2.996 2.138 3.786 . 0 0 "[ . 1]" 1
1021 1 65 GLN HG3 1 78 VAL H 2.780 . 3.760 3.463 3.250 3.701 . 0 0 "[ . 1]" 1
1022 1 65 GLN HG3 1 78 VAL MG2 3.000 . 4.200 2.964 2.748 3.210 . 0 0 "[ . 1]" 1
1023 1 66 LYS H 1 66 LYS QB 2.620 . 3.440 2.739 2.539 3.018 . 0 0 "[ . 1]" 1
1024 1 66 LYS H 1 66 LYS QD 2.650 . 3.500 1.872 1.560 3.539 0.240 4 0 "[ . 1]" 1
1025 1 66 LYS H 1 66 LYS QE 3.110 . 4.420 3.578 2.898 4.624 0.204 3 0 "[ . 1]" 1
1026 1 66 LYS H 1 66 LYS QG 2.850 . 3.910 2.575 1.770 3.202 0.020 8 0 "[ . 1]" 1
1027 1 66 LYS H 1 67 ILE H 3.220 . 4.640 4.429 4.343 4.484 . 0 0 "[ . 1]" 1
1028 1 66 LYS H 1 77 VAL QG 3.560 . 5.330 3.899 3.673 4.204 . 0 0 "[ . 1]" 1
1029 1 66 LYS HA 1 66 LYS QD 2.860 . 3.920 3.424 2.286 3.665 . 0 0 "[ . 1]" 1
1030 1 66 LYS HA 1 67 ILE H 2.000 . 2.590 2.132 2.117 2.159 . 0 0 "[ . 1]" 1
1031 1 66 LYS HA 1 75 TYR QD 3.460 . 5.120 3.832 3.545 4.101 . 0 0 "[ . 1]" 1
1032 1 66 LYS HA 1 76 THR H 3.270 . 4.740 4.521 4.257 4.704 . 0 0 "[ . 1]" 1
1033 1 66 LYS HA 1 77 VAL H 3.650 . 5.500 5.245 4.941 5.535 0.035 3 0 "[ . 1]" 1
1034 1 66 LYS HA 1 77 VAL HA 2.500 . 3.190 2.867 2.547 3.191 0.001 3 0 "[ . 1]" 1
1035 1 66 LYS HA 1 77 VAL QG 2.830 . 3.850 2.493 2.292 2.817 . 0 0 "[ . 1]" 1
1036 1 66 LYS QB 1 66 LYS QD 2.520 . 3.240 2.328 2.170 2.617 . 0 0 "[ . 1]" 1
1037 1 66 LYS QB 1 66 LYS QE 2.870 . 3.930 3.491 2.122 3.843 . 0 0 "[ . 1]" 1
1038 1 66 LYS QB 1 66 LYS QG 2.060 . 2.320 2.032 2.009 2.069 . 0 0 "[ . 1]" 1
1039 1 66 LYS QB 1 67 ILE H 2.870 . 3.940 3.312 3.232 3.409 . 0 0 "[ . 1]" 1
1040 1 66 LYS QB 1 75 TYR QD 3.150 . 4.500 2.860 2.566 3.345 . 0 0 "[ . 1]" 1
1041 1 66 LYS QB 1 75 TYR QE 3.280 . 4.760 2.740 2.308 3.419 . 0 0 "[ . 1]" 1
1042 1 66 LYS QB 1 77 VAL HA 3.570 . 5.340 4.502 4.090 5.109 . 0 0 "[ . 1]" 1
1043 1 66 LYS QD 1 75 TYR QE 3.570 . 5.340 4.647 3.496 5.289 . 0 0 "[ . 1]" 1
1044 1 66 LYS QE 1 66 LYS QG 2.600 . 3.410 2.204 2.118 2.299 . 0 0 "[ . 1]" 1
1045 1 66 LYS QE 1 75 TYR QE 3.650 . 5.500 4.844 3.252 5.584 0.084 1 0 "[ . 1]" 1
1046 1 66 LYS QG 1 75 TYR QD 3.530 . 5.260 4.322 3.784 5.032 . 0 0 "[ . 1]" 1
1047 1 66 LYS QG 1 75 TYR QE 3.130 . 4.460 3.213 2.364 4.520 0.060 8 0 "[ . 1]" 1
1048 1 67 ILE H 1 67 ILE HB 2.560 . 3.330 2.606 2.384 2.729 . 0 0 "[ . 1]" 1
1049 1 67 ILE H 1 67 ILE MD 2.940 . 4.080 3.789 2.521 4.109 0.029 2 0 "[ . 1]" 1
1050 1 67 ILE H 1 67 ILE QG 2.580 . 3.360 2.952 2.802 3.828 0.468 4 0 "[ . 1]" 1
1051 1 67 ILE H 1 67 ILE MG 2.960 . 4.120 3.824 3.648 3.886 . 0 0 "[ . 1]" 1
1052 1 67 ILE H 1 68 LEU H 3.370 . 4.940 4.220 3.935 4.504 . 0 0 "[ . 1]" 1
1053 1 67 ILE H 1 75 TYR HB3 3.480 . 5.170 5.152 5.050 5.343 0.173 5 0 "[ . 1]" 1
1054 1 67 ILE H 1 75 TYR QD 2.690 . 3.580 3.280 2.950 3.492 . 0 0 "[ . 1]" 1
1055 1 67 ILE H 1 75 TYR QE 3.260 . 4.720 4.151 3.602 4.557 . 0 0 "[ . 1]" 1
1056 1 67 ILE H 1 76 THR H 2.730 . 3.660 3.243 3.116 3.341 . 0 0 "[ . 1]" 1
1057 1 67 ILE H 1 76 THR MG 3.020 . 4.240 3.073 2.621 3.354 . 0 0 "[ . 1]" 1
1058 1 67 ILE H 1 77 VAL HA 2.610 . 3.420 3.237 3.037 3.374 . 0 0 "[ . 1]" 1
1059 1 67 ILE H 1 77 VAL QG 2.900 . 4.000 3.556 3.317 3.803 . 0 0 "[ . 1]" 1
1060 1 67 ILE H 1 78 VAL H 3.250 . 4.700 4.492 4.142 4.666 . 0 0 "[ . 1]" 1
1061 1 67 ILE HA 1 67 ILE MD 3.060 . 4.320 3.017 2.121 3.859 . 0 0 "[ . 1]" 1
1062 1 67 ILE HA 1 67 ILE MG 2.710 . 3.620 2.361 2.306 2.564 . 0 0 "[ . 1]" 1
1063 1 67 ILE HA 1 68 LEU H 2.370 . 2.940 2.209 2.135 2.371 . 0 0 "[ . 1]" 1
1064 1 67 ILE HA 1 75 TYR QD 3.500 . 5.200 4.543 4.163 4.866 . 0 0 "[ . 1]" 1
1065 1 67 ILE HA 1 75 TYR QE 3.650 . 5.500 3.899 3.241 4.580 . 0 0 "[ . 1]" 1
1066 1 67 ILE HB 1 68 LEU H 3.120 . 4.450 4.291 3.819 4.571 0.121 4 0 "[ . 1]" 1
1067 1 67 ILE HB 1 76 THR H 3.060 . 4.320 4.286 4.161 4.370 0.050 8 0 "[ . 1]" 1
1068 1 67 ILE HB 1 76 THR MG 3.000 . 4.200 2.422 2.247 2.608 . 0 0 "[ . 1]" 1
1069 1 67 ILE HB 1 77 VAL HA 3.260 . 4.720 4.441 3.837 4.767 0.047 8 0 "[ . 1]" 1
1070 1 67 ILE HB 1 78 VAL H 3.650 . 5.500 4.735 4.161 5.091 . 0 0 "[ . 1]" 1
1071 1 67 ILE HB 1 78 VAL MG2 2.990 . 4.180 3.439 2.858 3.910 . 0 0 "[ . 1]" 1
1072 1 67 ILE QG 1 67 ILE MG 2.600 . 3.400 2.285 2.089 2.459 . 0 0 "[ . 1]" 1
1073 1 67 ILE QG 1 68 LEU H 3.360 . 4.920 4.398 3.864 4.760 . 0 0 "[ . 1]" 1
1074 1 67 ILE QG 1 77 VAL HA 3.560 . 5.320 4.361 4.127 4.963 . 0 0 "[ . 1]" 1
1075 1 67 ILE QG 1 78 VAL H 2.940 . 4.080 4.094 3.858 4.364 0.284 4 0 "[ . 1]" 1
1076 1 67 ILE QG 1 78 VAL MG2 2.880 . 3.960 3.003 2.514 3.513 . 0 0 "[ . 1]" 1
1077 1 67 ILE MG 1 68 LEU H 2.630 . 3.460 2.837 1.924 3.329 . 0 0 "[ . 1]" 1
1078 1 67 ILE MG 1 76 THR H 3.270 . 4.750 4.698 4.238 4.832 0.082 2 0 "[ . 1]" 1
1079 1 67 ILE MG 1 76 THR MG 2.810 . 3.820 3.010 2.277 3.327 . 0 0 "[ . 1]" 1
1080 1 68 LEU H 1 68 LEU QB 2.620 . 3.440 2.284 2.210 2.475 . 0 0 "[ . 1]" 1
1081 1 68 LEU H 1 68 LEU QD 3.130 . 4.460 3.763 3.596 3.895 . 0 0 "[ . 1]" 1
1082 1 68 LEU H 1 69 ASN H 3.210 . 4.630 4.508 4.368 4.610 . 0 0 "[ . 1]" 1
1083 1 68 LEU H 1 75 TYR QD 3.340 . 4.880 4.228 3.617 4.961 0.081 5 0 "[ . 1]" 1
1084 1 68 LEU H 1 75 TYR QE 3.020 . 4.240 3.400 2.504 4.399 0.159 5 0 "[ . 1]" 1
1085 1 68 LEU H 1 76 THR MG 3.580 . 5.360 4.644 4.228 4.922 . 0 0 "[ . 1]" 1
1086 1 68 LEU HA 1 68 LEU QD 2.710 . 3.620 2.147 2.014 2.444 . 0 0 "[ . 1]" 1
1087 1 68 LEU HA 1 69 ASN H 2.370 . 2.940 2.172 2.114 2.232 . 0 0 "[ . 1]" 1
1088 1 68 LEU HA 1 74 THR H 3.380 . 4.960 4.799 4.439 5.058 0.098 4 0 "[ . 1]" 1
1089 1 68 LEU HA 1 75 TYR HA 2.620 . 3.450 2.349 2.271 2.443 . 0 0 "[ . 1]" 1
1090 1 68 LEU HA 1 75 TYR QD 3.130 . 4.460 3.303 2.763 3.585 . 0 0 "[ . 1]" 1
1091 1 68 LEU HA 1 75 TYR QE 3.460 . 5.130 3.827 3.295 4.126 . 0 0 "[ . 1]" 1
1092 1 68 LEU HA 1 76 THR H 2.790 . 3.770 3.411 3.218 3.544 . 0 0 "[ . 1]" 1
1093 1 68 LEU QB 1 69 ASN H 2.830 . 3.860 3.729 3.580 3.862 0.002 1 0 "[ . 1]" 1
1094 1 68 LEU QB 1 75 TYR QD 3.210 . 4.630 3.711 3.592 4.038 . 0 0 "[ . 1]" 1
1095 1 68 LEU QB 1 75 TYR QE 2.850 . 3.910 2.848 2.486 3.248 . 0 0 "[ . 1]" 1
1096 1 68 LEU QB 1 76 THR H 3.540 . 5.280 5.069 4.924 5.256 . 0 0 "[ . 1]" 1
1097 1 68 LEU QD 1 69 ASN H 2.440 . 3.070 2.090 1.792 3.152 0.082 10 0 "[ . 1]" 1
1098 1 68 LEU QD 1 69 ASN HA 3.540 . 5.280 4.046 3.099 4.717 . 0 0 "[ . 1]" 1
1099 1 68 LEU QD 1 70 LYS HA 3.060 . 4.320 3.758 2.956 4.077 . 0 0 "[ . 1]" 1
1100 1 68 LEU QD 1 70 LYS QE 2.870 . 3.940 2.715 2.127 3.552 . 0 0 "[ . 1]" 1
1101 1 68 LEU QD 1 70 LYS QG 3.320 . 4.840 3.743 2.514 4.391 . 0 0 "[ . 1]" 1
1102 1 68 LEU QD 1 73 CYS H 3.300 . 4.800 4.470 4.016 4.882 0.082 5 0 "[ . 1]" 1
1103 1 68 LEU QD 1 73 CYS HA 2.920 . 4.040 3.086 2.664 3.568 . 0 0 "[ . 1]" 1
1104 1 68 LEU QD 1 73 CYS QB 3.540 . 5.280 4.036 3.292 4.612 . 0 0 "[ . 1]" 1
1105 1 68 LEU QD 1 74 THR H 2.620 . 3.440 2.788 2.485 3.075 . 0 0 "[ . 1]" 1
1106 1 68 LEU QD 1 74 THR HA 3.240 . 4.680 3.342 2.975 3.626 . 0 0 "[ . 1]" 1
1107 1 68 LEU QD 1 75 TYR H 3.360 . 4.920 3.501 3.086 4.023 . 0 0 "[ . 1]" 1
1108 1 68 LEU QD 1 75 TYR HA 3.190 2.190 43.190 2.648 2.302 3.267 . 0 0 "[ . 1]" 1
1109 1 68 LEU QD 1 75 TYR HB2 3.620 . 5.440 3.801 3.473 4.494 . 0 0 "[ . 1]" 1
1110 1 68 LEU QD 1 75 TYR QD 3.170 . 4.540 2.782 2.574 3.198 . 0 0 "[ . 1]" 1
1111 1 68 LEU QD 1 75 TYR QE 3.110 . 4.420 2.688 2.279 2.937 . 0 0 "[ . 1]" 1
1112 1 68 LEU QD 1 76 THR H 3.130 . 4.460 4.271 4.087 4.634 0.174 9 0 "[ . 1]" 1
1113 1 68 LEU HG 1 69 ASN H 2.730 . 3.650 3.186 2.714 4.128 0.478 8 0 "[ . 1]" 1
1114 1 68 LEU HG 1 74 THR H 3.650 . 5.500 4.395 3.248 5.575 0.075 8 0 "[ . 1]" 1
1115 1 68 LEU HG 1 75 TYR QD 3.650 . 5.500 5.086 2.965 5.500 . 0 0 "[ . 1]" 1
1116 1 68 LEU HG 1 75 TYR QE 3.650 . 5.500 4.863 3.099 5.449 . 0 0 "[ . 1]" 1
1117 1 69 ASN H 1 69 ASN QB 2.000 . 2.590 2.342 2.065 2.455 . 0 0 "[ . 1]" 1
1118 1 69 ASN H 1 70 LYS H 3.540 . 5.290 4.430 4.318 4.557 . 0 0 "[ . 1]" 1
1119 1 69 ASN H 1 70 LYS HA 3.560 . 5.320 5.065 4.866 5.268 . 0 0 "[ . 1]" 1
1120 1 69 ASN H 1 70 LYS QE 3.570 . 5.340 5.337 4.914 5.655 0.315 5 0 "[ . 1]" 1
1121 1 69 ASN H 1 72 THR H 3.650 . 5.500 5.715 5.632 5.818 0.318 4 0 "[ . 1]" 1
1122 1 69 ASN H 1 73 CYS H 3.600 . 5.400 5.270 5.167 5.388 . 0 0 "[ . 1]" 1
1123 1 69 ASN H 1 73 CYS HA 3.480 . 5.160 4.665 4.445 4.889 . 0 0 "[ . 1]" 1
1124 1 69 ASN H 1 74 THR H 2.730 . 3.660 3.145 2.988 3.294 . 0 0 "[ . 1]" 1
1125 1 69 ASN H 1 75 TYR H 3.440 . 5.090 4.853 4.734 5.014 . 0 0 "[ . 1]" 1
1126 1 69 ASN H 1 75 TYR HA 2.730 . 3.660 3.100 2.968 3.207 . 0 0 "[ . 1]" 1
1127 1 69 ASN H 1 75 TYR QD 3.410 . 5.020 4.870 4.568 5.094 0.074 1 0 "[ . 1]" 1
1128 1 69 ASN H 1 76 THR MG 3.120 . 4.450 3.527 2.879 4.534 0.084 3 0 "[ . 1]" 1
1129 1 69 ASN HA 1 69 ASN QD 2.890 . 3.970 2.960 1.788 4.031 0.061 6 0 "[ . 1]" 1
1130 1 69 ASN HA 1 70 LYS QD 2.890 . 3.970 3.315 2.875 4.068 0.098 7 0 "[ . 1]" 1
1131 1 69 ASN HA 1 71 LYS H 2.910 . 4.020 3.498 3.362 3.646 . 0 0 "[ . 1]" 1
1132 1 69 ASN HA 1 72 THR H 3.650 . 5.500 5.169 4.867 5.430 . 0 0 "[ . 1]" 1
1133 1 69 ASN HA 1 73 CYS H 3.650 . 5.500 5.343 5.096 5.549 0.049 4 0 "[ . 1]" 1
1134 1 69 ASN QB 1 69 ASN QD 2.500 . 3.190 2.468 2.235 2.802 . 0 0 "[ . 1]" 1
1135 1 69 ASN QB 1 71 LYS H 3.150 . 4.500 3.087 2.560 3.895 . 0 0 "[ . 1]" 1
1136 1 69 ASN QB 1 72 THR H 2.810 . 3.830 3.219 2.765 3.929 0.099 2 0 "[ . 1]" 1
1137 1 69 ASN QB 1 73 CYS H 2.950 . 4.100 3.869 3.498 4.282 0.182 2 0 "[ . 1]" 1
1138 1 69 ASN QB 1 74 THR H 2.500 . 3.200 2.730 2.463 3.028 . 0 0 "[ . 1]" 1
1139 1 69 ASN QD 1 72 THR MG 3.250 . 4.700 4.165 2.629 4.747 0.047 7 0 "[ . 1]" 1
1140 1 70 LYS H 1 70 LYS QB 2.750 . 3.690 2.487 2.189 2.823 . 0 0 "[ . 1]" 1
1141 1 70 LYS H 1 70 LYS QD 2.870 . 3.930 2.428 1.876 3.086 . 0 0 "[ . 1]" 1
1142 1 70 LYS H 1 71 LYS H 3.190 2.190 43.190 2.327 2.243 2.440 . 0 0 "[ . 1]" 1
1143 1 70 LYS HA 1 72 THR H 3.020 . 4.240 4.575 4.423 4.729 0.489 7 0 "[ . 1]" 1
1144 1 70 LYS HA 1 73 CYS H 2.690 . 3.580 3.116 3.030 3.221 . 0 0 "[ . 1]" 1
1145 1 70 LYS HA 1 73 CYS HA 2.000 . 2.590 3.074 2.935 3.180 0.590 4 5 "[ -+*** 1]" 1
1146 1 70 LYS HA 1 74 THR H 3.170 . 4.540 4.483 4.357 4.532 . 0 0 "[ . 1]" 1
1147 1 70 LYS QD 1 71 LYS H 3.200 . 4.600 4.270 4.051 4.613 0.013 7 0 "[ . 1]" 1
1148 1 70 LYS QE 1 70 LYS QG 2.460 . 3.120 2.304 2.114 2.623 . 0 0 "[ . 1]" 1
1149 1 71 LYS H 1 71 LYS QD 3.360 . 4.920 3.534 1.749 4.503 0.051 9 0 "[ . 1]" 1
1150 1 71 LYS H 1 71 LYS QG 2.720 . 3.640 2.428 1.777 3.878 0.238 8 0 "[ . 1]" 1
1151 1 71 LYS H 1 72 THR H 2.520 . 3.230 2.830 2.643 3.075 . 0 0 "[ . 1]" 1
1152 1 71 LYS H 1 72 THR MG 3.250 . 4.700 4.218 3.777 4.541 . 0 0 "[ . 1]" 1
1153 1 71 LYS H 1 73 CYS H 2.750 . 3.700 3.498 3.251 3.716 0.016 4 0 "[ . 1]" 1
1154 1 71 LYS H 1 74 THR H 3.650 . 5.500 5.048 4.887 5.241 . 0 0 "[ . 1]" 1
1155 1 71 LYS HA 1 71 LYS QD 3.030 . 4.260 3.859 3.421 4.046 . 0 0 "[ . 1]" 1
1156 1 71 LYS QD 1 72 THR H 3.560 . 5.320 4.313 3.648 4.970 . 0 0 "[ . 1]" 1
1157 1 71 LYS QE 1 72 THR H 3.650 . 5.500 4.982 3.786 5.835 0.335 4 0 "[ . 1]" 1
1158 1 71 LYS QG 1 72 THR H 3.300 . 4.800 3.874 3.588 4.239 . 0 0 "[ . 1]" 1
1159 1 72 THR H 1 72 THR MG 2.520 . 3.230 2.113 1.793 2.483 0.017 1 0 "[ . 1]" 1
1160 1 72 THR H 1 73 CYS H 2.410 . 3.020 2.320 2.200 2.482 . 0 0 "[ . 1]" 1
1161 1 72 THR H 1 73 CYS QB 3.570 . 5.340 4.807 4.671 5.071 . 0 0 "[ . 1]" 1
1162 1 72 THR H 1 74 THR H 2.920 . 4.040 4.021 3.927 4.149 0.109 5 0 "[ . 1]" 1
1163 1 72 THR HA 1 72 THR MG 2.630 . 3.460 2.758 2.401 3.186 . 0 0 "[ . 1]" 1
1164 1 72 THR MG 1 73 CYS H 2.980 . 4.170 3.670 2.967 4.157 . 0 0 "[ . 1]" 1
1165 1 72 THR MG 1 74 THR H 3.650 . 5.500 4.373 2.925 5.382 . 0 0 "[ . 1]" 1
1166 1 73 CYS H 1 73 CYS HA 2.290 . 2.770 2.285 2.265 2.298 . 0 0 "[ . 1]" 1
1167 1 73 CYS H 1 73 CYS QB 2.710 . 3.620 2.943 2.864 3.339 . 0 0 "[ . 1]" 1
1168 1 73 CYS H 1 74 THR H 2.500 . 3.190 3.029 2.811 3.136 . 0 0 "[ . 1]" 1
1169 1 73 CYS H 1 74 THR HA 3.650 . 5.500 5.499 5.378 5.558 0.058 10 0 "[ . 1]" 1
1170 1 73 CYS HA 1 74 THR H 2.370 . 2.940 2.466 2.411 2.503 . 0 0 "[ . 1]" 1
1171 1 73 CYS QB 1 74 THR H 2.980 . 4.160 4.033 3.906 4.108 . 0 0 "[ . 1]" 1
1172 1 74 THR H 1 74 THR HB 2.850 . 3.890 3.153 2.849 3.905 0.015 5 0 "[ . 1]" 1
1173 1 74 THR H 1 74 THR MG 2.940 . 4.080 3.233 2.248 3.964 . 0 0 "[ . 1]" 1
1174 1 74 THR H 1 75 TYR H 3.070 . 4.340 4.354 4.339 4.371 0.031 9 0 "[ . 1]" 1
1175 1 74 THR HA 1 74 THR MG 2.640 . 3.480 2.656 2.242 3.200 . 0 0 "[ . 1]" 1
1176 1 74 THR HA 1 75 TYR H 2.350 . 2.910 2.300 2.249 2.345 . 0 0 "[ . 1]" 1
1177 1 74 THR HB 1 75 TYR H 2.980 . 4.160 3.830 2.739 4.121 . 0 0 "[ . 1]" 1
1178 1 74 THR MG 1 75 TYR H 2.700 . 3.600 2.849 2.096 3.690 0.090 5 0 "[ . 1]" 1
1179 1 75 TYR H 1 75 TYR HB2 2.590 . 3.380 2.184 2.143 2.220 . 0 0 "[ . 1]" 1
1180 1 75 TYR H 1 75 TYR HB3 2.600 . 3.400 3.418 3.346 3.457 0.057 9 0 "[ . 1]" 1
1181 1 75 TYR H 1 75 TYR QD 2.710 . 3.620 3.388 3.101 3.628 0.008 8 0 "[ . 1]" 1
1182 1 75 TYR H 1 75 TYR QE 3.650 . 5.500 5.462 5.253 5.646 0.146 5 0 "[ . 1]" 1
1183 1 75 TYR H 1 76 THR H 3.320 . 4.840 4.560 4.536 4.583 . 0 0 "[ . 1]" 1
1184 1 75 TYR HA 1 75 TYR QD 2.870 . 3.940 2.714 2.405 2.895 . 0 0 "[ . 1]" 1
1185 1 75 TYR HA 1 75 TYR QE 3.650 . 5.500 4.330 4.229 4.411 . 0 0 "[ . 1]" 1
1186 1 75 TYR HA 1 76 THR H 2.320 . 2.840 2.198 2.123 2.307 . 0 0 "[ . 1]" 1
1187 1 75 TYR HB2 1 76 THR H 3.070 . 4.340 4.166 4.009 4.269 . 0 0 "[ . 1]" 1
1188 1 75 TYR HB3 1 76 THR H 2.670 . 3.540 2.996 2.768 3.165 . 0 0 "[ . 1]" 1
1189 1 75 TYR HB3 1 77 VAL QG 3.620 . 5.440 3.944 3.794 4.055 . 0 0 "[ . 1]" 1
1190 1 75 TYR QD 1 76 THR H 2.710 . 3.620 2.586 2.037 2.884 . 0 0 "[ . 1]" 1
1191 1 75 TYR QD 1 76 THR HA 3.460 . 5.130 4.936 4.508 5.144 0.014 1 0 "[ . 1]" 1
1192 1 75 TYR QD 1 77 VAL QG 3.490 . 5.180 4.055 3.761 4.368 . 0 0 "[ . 1]" 1
1193 1 75 TYR QE 1 76 THR H 3.340 . 4.880 4.709 4.243 4.934 0.054 1 0 "[ . 1]" 1
1194 1 76 THR H 1 76 THR HB 2.830 . 3.860 3.370 3.192 3.479 . 0 0 "[ . 1]" 1
1195 1 76 THR H 1 76 THR MG 2.680 . 3.560 2.305 2.197 2.555 . 0 0 "[ . 1]" 1
1196 1 76 THR H 1 77 VAL H 3.160 . 4.520 4.376 4.305 4.433 . 0 0 "[ . 1]" 1
1197 1 76 THR H 1 77 VAL QG 3.420 . 5.040 3.927 3.752 4.105 . 0 0 "[ . 1]" 1
1198 1 76 THR HA 1 76 THR MG 3.020 . 4.240 3.200 3.189 3.206 . 0 0 "[ . 1]" 1
1199 1 76 THR HA 1 77 VAL H 2.230 . 2.660 2.365 2.303 2.432 . 0 0 "[ . 1]" 1
1200 1 76 THR HB 1 77 VAL H 2.960 . 4.120 3.866 3.684 4.128 0.008 3 0 "[ . 1]" 1
1201 1 76 THR HB 1 77 VAL QG 3.620 . 5.440 5.031 4.845 5.164 . 0 0 "[ . 1]" 1
1202 1 76 THR HB 1 78 VAL MG1 3.400 . 5.000 4.833 4.552 5.044 0.044 3 0 "[ . 1]" 1
1203 1 76 THR MG 1 77 VAL H 2.850 . 3.890 3.611 3.295 3.732 . 0 0 "[ . 1]" 1
1204 1 76 THR MG 1 78 VAL H 3.270 . 4.750 4.596 4.265 4.794 0.044 4 0 "[ . 1]" 1
1205 1 76 THR MG 1 78 VAL MG1 2.920 . 4.040 3.284 2.697 3.598 . 0 0 "[ . 1]" 1
1206 1 77 VAL H 1 77 VAL HB 2.540 . 3.280 2.746 2.629 2.898 . 0 0 "[ . 1]" 1
1207 1 77 VAL H 1 77 VAL QG 2.520 . 3.240 2.626 2.522 2.707 . 0 0 "[ . 1]" 1
1208 1 77 VAL H 1 78 VAL HA 3.650 . 5.500 4.873 4.724 4.954 . 0 0 "[ . 1]" 1
1209 1 77 VAL H 1 78 VAL MG1 2.900 . 4.000 3.641 3.459 3.830 . 0 0 "[ . 1]" 1
1210 1 77 VAL H 1 87 CYS H 3.290 . 4.790 4.501 3.997 4.915 0.125 4 0 "[ . 1]" 1
1211 1 77 VAL H 1 89 VAL QG 3.100 . 4.400 4.217 4.039 4.464 0.064 8 0 "[ . 1]" 1
1212 1 77 VAL HA 1 77 VAL QG 2.830 . 3.850 2.105 2.076 2.135 . 0 0 "[ . 1]" 1
1213 1 77 VAL HA 1 78 VAL H 2.320 . 2.840 2.181 2.137 2.224 . 0 0 "[ . 1]" 1
1214 1 77 VAL HA 1 78 VAL MG2 2.920 . 4.040 3.455 3.318 3.598 . 0 0 "[ . 1]" 1
1215 1 77 VAL HB 1 78 VAL H 3.000 . 4.210 4.128 4.051 4.196 . 0 0 "[ . 1]" 1
1216 1 77 VAL HB 1 78 VAL HA 3.440 . 5.080 4.616 4.558 4.707 . 0 0 "[ . 1]" 1
1217 1 77 VAL HB 1 87 CYS H 2.940 . 4.080 3.438 2.806 3.976 . 0 0 "[ . 1]" 1
1218 1 77 VAL HB 1 89 VAL QG 2.810 . 3.810 2.969 2.712 3.142 . 0 0 "[ . 1]" 1
1219 1 77 VAL QG 1 78 VAL H 2.540 . 3.280 2.602 2.469 2.902 . 0 0 "[ . 1]" 1
1220 1 77 VAL QG 1 78 VAL HA 3.500 . 5.200 3.606 3.470 3.922 . 0 0 "[ . 1]" 1
1221 1 77 VAL QG 1 79 GLU H 3.480 . 5.160 4.843 4.612 5.093 . 0 0 "[ . 1]" 1
1222 1 77 VAL QG 1 87 CYS H 2.730 . 3.660 3.613 3.405 3.901 0.241 6 0 "[ . 1]" 1
1223 1 77 VAL QG 1 87 CYS HA 3.620 . 5.440 4.454 4.335 4.663 . 0 0 "[ . 1]" 1
1224 1 77 VAL QG 1 87 CYS QB 2.600 . 3.410 2.081 1.978 2.209 . 0 0 "[ . 1]" 1
1225 1 77 VAL QG 1 88 ASP H 3.620 . 5.440 3.544 3.211 4.573 . 0 0 "[ . 1]" 1
1226 1 77 VAL QG 1 89 VAL QG 2.500 . 3.200 2.255 1.902 2.550 . 0 0 "[ . 1]" 1
1227 1 78 VAL H 1 78 VAL HB 2.920 . 4.040 3.805 3.751 3.837 . 0 0 "[ . 1]" 1
1228 1 78 VAL H 1 78 VAL MG1 2.540 . 3.280 3.070 2.926 3.257 . 0 0 "[ . 1]" 1
1229 1 78 VAL H 1 78 VAL MG2 2.420 . 3.040 2.069 2.015 2.171 . 0 0 "[ . 1]" 1
1230 1 78 VAL HA 1 78 VAL MG1 2.710 . 3.620 2.279 2.225 2.355 . 0 0 "[ . 1]" 1
1231 1 78 VAL HA 1 78 VAL MG2 2.920 . 4.040 3.186 3.172 3.197 . 0 0 "[ . 1]" 1
1232 1 78 VAL HA 1 79 GLU H 2.460 . 3.120 2.335 2.273 2.392 . 0 0 "[ . 1]" 1
1233 1 78 VAL HA 1 85 LYS H 3.480 . 5.160 4.599 4.381 5.187 0.027 8 0 "[ . 1]" 1
1234 1 78 VAL HA 1 86 THR H 3.230 . 4.660 4.301 3.672 4.664 0.004 5 0 "[ . 1]" 1
1235 1 78 VAL HA 1 86 THR HA 2.600 . 3.410 2.545 2.276 2.987 . 0 0 "[ . 1]" 1
1236 1 78 VAL HA 1 86 THR HB 3.570 . 5.340 4.836 4.487 5.348 0.008 3 0 "[ . 1]" 1
1237 1 78 VAL HA 1 87 CYS H 2.520 . 3.230 3.223 2.753 3.361 0.131 9 0 "[ . 1]" 1
1238 1 78 VAL HB 1 79 GLU H 2.480 . 3.150 2.516 2.435 2.661 . 0 0 "[ . 1]" 1
1239 1 78 VAL HB 1 82 ASP H 3.650 . 5.500 5.210 4.822 5.527 0.027 6 0 "[ . 1]" 1
1240 1 78 VAL HB 1 83 PRO HA 2.740 . 3.680 2.682 2.305 3.336 . 0 0 "[ . 1]" 1
1241 1 78 VAL HB 1 84 GLY H 3.340 . 4.880 4.033 3.542 4.562 . 0 0 "[ . 1]" 1
1242 1 78 VAL HB 1 85 LYS H 3.020 . 4.240 2.979 2.415 3.938 . 0 0 "[ . 1]" 1
1243 1 78 VAL MG1 1 83 PRO HA 3.120 . 4.450 3.680 3.424 4.056 . 0 0 "[ . 1]" 1
1244 1 78 VAL MG1 1 85 LYS H 3.020 . 4.250 3.440 3.027 4.271 0.021 8 0 "[ . 1]" 1
1245 1 78 VAL MG1 1 86 THR H 3.330 . 4.860 3.958 3.656 4.210 . 0 0 "[ . 1]" 1
1246 1 78 VAL MG1 1 86 THR HA 2.760 . 3.720 2.455 2.295 2.618 . 0 0 "[ . 1]" 1
1247 1 78 VAL MG1 1 86 THR HB 3.210 . 4.620 4.464 4.082 4.788 0.168 4 0 "[ . 1]" 1
1248 1 78 VAL MG1 1 86 THR MG 2.680 . 3.560 3.014 2.686 3.284 . 0 0 "[ . 1]" 1
1249 1 78 VAL MG1 1 87 CYS H 3.240 . 4.680 4.026 3.579 4.205 . 0 0 "[ . 1]" 1
1250 1 78 VAL MG2 1 79 GLU H 2.710 . 3.620 3.613 3.510 3.741 0.121 9 0 "[ . 1]" 1
1251 1 78 VAL MG2 1 80 LYS H 3.500 . 5.200 4.882 4.390 5.262 0.062 9 0 "[ . 1]" 1
1252 1 78 VAL MG2 1 82 ASP H 3.480 . 5.160 5.135 4.770 5.507 0.347 6 0 "[ . 1]" 1
1253 1 78 VAL MG2 1 83 PRO HA 2.800 . 3.800 2.233 2.023 2.490 . 0 0 "[ . 1]" 1
1254 1 78 VAL MG2 1 83 PRO QB 2.940 . 4.080 3.135 2.737 3.403 . 0 0 "[ . 1]" 1
1255 1 78 VAL MG2 1 84 GLY H 3.380 . 4.960 4.506 3.799 5.084 0.124 1 0 "[ . 1]" 1
1256 1 79 GLU H 1 79 GLU HB2 2.490 . 3.180 2.638 2.431 2.910 . 0 0 "[ . 1]" 1
1257 1 79 GLU H 1 79 GLU QG 2.400 . 3.000 1.913 1.787 2.262 0.013 8 0 "[ . 1]" 1
1258 1 79 GLU H 1 80 LYS H 3.330 . 4.870 4.575 4.456 4.632 . 0 0 "[ . 1]" 1
1259 1 79 GLU H 1 82 ASP H 3.190 2.190 43.190 4.287 4.076 4.737 . 0 0 "[ . 1]" 1
1260 1 79 GLU H 1 82 ASP QB 3.540 . 5.280 3.732 3.340 4.245 . 0 0 "[ . 1]" 1
1261 1 79 GLU H 1 84 GLY H 3.650 . 5.500 5.169 4.782 5.433 . 0 0 "[ . 1]" 1
1262 1 79 GLU H 1 85 LYS H 2.960 . 4.120 3.718 3.495 4.144 0.024 8 0 "[ . 1]" 1
1263 1 79 GLU H 1 85 LYS QB 2.670 . 3.540 3.193 2.371 3.642 0.102 7 0 "[ . 1]" 1
1264 1 79 GLU H 1 86 THR H 3.400 . 5.000 4.351 3.252 5.147 0.147 2 0 "[ . 1]" 1
1265 1 79 GLU H 1 86 THR HA 3.040 . 4.290 4.057 3.808 4.328 0.038 6 0 "[ . 1]" 1
1266 1 79 GLU H 1 86 THR MG 3.650 . 5.500 5.461 5.349 5.568 0.068 6 0 "[ . 1]" 1
1267 1 79 GLU H 1 87 CYS H 3.360 . 4.920 4.816 4.343 5.007 0.087 9 0 "[ . 1]" 1
1268 1 79 GLU H 1 87 CYS QB 3.210 . 4.620 4.378 4.013 4.817 0.197 7 0 "[ . 1]" 1
1269 1 79 GLU HA 1 79 GLU QG 2.910 . 4.020 2.522 2.333 2.747 . 0 0 "[ . 1]" 1
1270 1 79 GLU HA 1 80 LYS H 2.460 . 3.110 2.183 2.144 2.234 . 0 0 "[ . 1]" 1
1271 1 79 GLU HA 1 82 ASP H 3.080 . 4.360 4.112 3.828 4.654 0.294 6 0 "[ . 1]" 1
1272 1 79 GLU HB2 1 81 LYS H 2.850 . 3.890 3.602 3.357 3.903 0.013 9 0 "[ . 1]" 1
1273 1 79 GLU HB2 1 82 ASP H 2.500 . 3.200 2.239 1.910 2.632 . 0 0 "[ . 1]" 1
1274 1 79 GLU HB2 1 85 LYS H 3.170 . 4.540 4.368 4.026 4.632 0.092 10 0 "[ . 1]" 1
1275 1 79 GLU HB3 1 79 GLU QG 2.370 . 2.940 2.420 2.344 2.567 . 0 0 "[ . 1]" 1
1276 1 79 GLU HB3 1 80 LYS H 3.130 . 4.460 3.202 3.020 3.551 . 0 0 "[ . 1]" 1
1277 1 79 GLU QG 1 81 LYS H 3.380 . 4.960 4.872 4.516 5.049 0.089 7 0 "[ . 1]" 1
1278 1 79 GLU QG 1 82 ASP H 2.980 . 4.170 4.205 3.887 4.547 0.377 3 0 "[ . 1]" 1
1279 1 79 GLU QG 1 85 LYS H 3.150 . 4.500 4.319 3.957 4.700 0.200 3 0 "[ . 1]" 1
1280 1 79 GLU QG 1 85 LYS QB 2.830 . 3.870 2.595 2.253 3.122 . 0 0 "[ . 1]" 1
1281 1 79 GLU QG 1 85 LYS QG 3.110 . 4.420 3.957 2.276 4.598 0.178 10 0 "[ . 1]" 1
1282 1 79 GLU QG 1 86 THR H 3.190 2.190 43.190 3.868 2.766 4.665 . 0 0 "[ . 1]" 1
1283 1 80 LYS H 1 80 LYS QB 2.580 . 3.360 2.452 2.316 2.830 . 0 0 "[ . 1]" 1
1284 1 80 LYS H 1 80 LYS QD 2.960 . 4.120 3.701 3.332 4.162 0.042 5 0 "[ . 1]" 1
1285 1 80 LYS H 1 80 LYS QE 3.270 . 4.740 4.529 3.501 4.966 0.226 2 0 "[ . 1]" 1
1286 1 80 LYS H 1 80 LYS QG 2.470 . 3.140 2.147 1.686 2.390 0.114 1 0 "[ . 1]" 1
1287 1 80 LYS H 1 81 LYS H 2.900 . 4.000 2.689 2.603 2.788 . 0 0 "[ . 1]" 1
1288 1 80 LYS H 1 81 LYS QG 3.570 . 5.340 4.102 3.565 4.534 . 0 0 "[ . 1]" 1
1289 1 80 LYS H 1 82 ASP H 3.060 . 4.330 3.930 3.749 4.484 0.154 6 0 "[ . 1]" 1
1290 1 80 LYS HA 1 80 LYS QD 3.060 . 4.330 4.054 3.961 4.360 0.030 1 0 "[ . 1]" 1
1291 1 80 LYS HA 1 80 LYS QG 2.920 . 4.040 2.448 2.300 3.229 . 0 0 "[ . 1]" 1
1292 1 80 LYS HA 1 82 ASP H 3.250 . 4.700 4.116 3.783 4.965 0.265 6 0 "[ . 1]" 1
1293 1 80 LYS QB 1 80 LYS QD 2.490 . 3.180 2.183 2.110 2.378 . 0 0 "[ . 1]" 1
1294 1 80 LYS QB 1 81 LYS H 2.670 . 3.540 2.663 2.454 3.389 . 0 0 "[ . 1]" 1
1295 1 80 LYS QE 1 80 LYS QG 2.610 . 3.420 2.361 2.160 2.578 . 0 0 "[ . 1]" 1
1296 1 80 LYS QG 1 81 LYS H 3.610 . 5.420 3.903 2.324 4.230 . 0 0 "[ . 1]" 1
1297 1 81 LYS H 1 81 LYS QB 2.890 . 3.970 2.497 2.345 2.893 . 0 0 "[ . 1]" 1
1298 1 81 LYS H 1 81 LYS QG 2.860 . 3.920 2.104 1.744 2.367 0.056 6 0 "[ . 1]" 1
1299 1 81 LYS H 1 82 ASP H 2.640 . 3.480 2.458 2.297 2.727 . 0 0 "[ . 1]" 1
1300 1 81 LYS HA 1 81 LYS QG 2.670 . 3.540 2.663 2.276 3.222 . 0 0 "[ . 1]" 1
1301 1 81 LYS QB 1 82 ASP H 2.730 . 3.650 2.886 2.734 3.074 . 0 0 "[ . 1]" 1
1302 1 81 LYS QG 1 82 ASP H 2.830 . 3.850 3.795 1.748 4.159 0.309 10 0 "[ . 1]" 1
1303 1 82 ASP H 1 82 ASP QB 2.540 . 3.280 2.662 2.298 2.937 . 0 0 "[ . 1]" 1
1304 1 82 ASP H 1 83 PRO QD 2.770 . 3.740 3.703 3.522 4.081 0.341 6 0 "[ . 1]" 1
1305 1 82 ASP HA 1 83 PRO QD 2.570 . 3.340 2.093 2.055 2.112 . 0 0 "[ . 1]" 1
1306 1 82 ASP HA 1 83 PRO HG2 3.240 . 4.680 4.467 4.450 4.489 . 0 0 "[ . 1]" 1
1307 1 82 ASP HA 1 83 PRO HG3 3.490 . 5.180 4.572 4.496 4.623 . 0 0 "[ . 1]" 1
1308 1 82 ASP HA 1 84 GLY H 2.920 . 4.040 3.329 3.201 3.597 . 0 0 "[ . 1]" 1
1309 1 82 ASP HA 1 85 LYS H 3.650 . 5.500 4.561 4.287 4.725 . 0 0 "[ . 1]" 1
1310 1 82 ASP QB 1 84 GLY H 3.000 . 4.200 3.086 2.526 3.602 . 0 0 "[ . 1]" 1
1311 1 82 ASP QB 1 85 LYS H 2.900 . 4.000 2.890 2.654 3.059 . 0 0 "[ . 1]" 1
1312 1 82 ASP QB 1 85 LYS QB 2.580 . 3.370 2.198 2.029 2.612 . 0 0 "[ . 1]" 1
1313 1 82 ASP QB 1 86 THR H 3.570 . 5.340 5.240 4.418 5.688 0.348 8 0 "[ . 1]" 1
1314 1 83 PRO HA 1 85 LYS H 3.020 . 4.240 3.851 3.600 4.385 0.145 8 0 "[ . 1]" 1
1315 1 83 PRO QD 1 84 GLY H 2.600 . 3.410 2.737 2.508 3.096 . 0 0 "[ . 1]" 1
1316 1 83 PRO HG2 1 84 GLY H 2.770 . 3.740 3.498 3.097 3.795 0.055 3 0 "[ . 1]" 1
1317 1 84 GLY H 1 85 LYS H 2.480 . 3.150 2.237 1.949 2.519 . 0 0 "[ . 1]" 1
1318 1 84 GLY H 1 85 LYS QB 2.980 . 4.160 3.906 3.378 4.337 0.177 8 0 "[ . 1]" 1
1319 1 85 LYS H 1 85 LYS QB 2.400 . 3.000 2.415 2.052 2.643 . 0 0 "[ . 1]" 1
1320 1 85 LYS H 1 85 LYS QG 2.790 . 3.770 3.499 2.961 4.079 0.309 1 0 "[ . 1]" 1
1321 1 85 LYS H 1 86 THR HA 3.650 . 5.500 5.011 4.904 5.395 . 0 0 "[ . 1]" 1
1322 1 85 LYS QB 1 86 THR H 2.570 . 3.340 2.405 1.630 3.350 0.170 3 0 "[ . 1]" 1
1323 1 85 LYS QD 1 86 THR H 2.980 . 4.160 3.472 1.765 4.516 0.356 8 0 "[ . 1]" 1
1324 1 85 LYS QE 1 85 LYS QG 2.570 . 3.340 2.395 2.094 2.825 . 0 0 "[ . 1]" 1
1325 1 85 LYS QE 1 86 THR H 2.710 . 3.610 3.495 2.737 3.885 0.275 7 0 "[ . 1]" 1
1326 1 86 THR H 1 86 THR HB 2.810 . 3.830 3.738 3.566 3.957 0.127 4 0 "[ . 1]" 1
1327 1 86 THR H 1 86 THR MG 2.610 . 3.420 2.753 2.072 3.560 0.140 9 0 "[ . 1]" 1
1328 1 86 THR HA 1 86 THR MG 2.540 . 3.280 2.302 2.182 2.430 . 0 0 "[ . 1]" 1
1329 1 86 THR HA 1 87 CYS H 2.350 . 2.910 2.332 2.136 2.416 . 0 0 "[ . 1]" 1
1330 1 86 THR HB 1 87 CYS H 2.620 . 3.440 2.651 2.369 3.414 . 0 0 "[ . 1]" 1
1331 1 86 THR MG 1 87 CYS H 2.810 . 3.830 3.698 3.488 3.929 0.099 3 0 "[ . 1]" 1
1332 1 87 CYS H 1 87 CYS QB 2.440 . 3.070 2.446 2.364 2.562 . 0 0 "[ . 1]" 1
1333 1 87 CYS H 1 88 ASP H 3.550 . 5.300 3.872 3.502 4.503 . 0 0 "[ . 1]" 1
1334 1 87 CYS HA 1 88 ASP H 2.400 . 3.000 3.117 2.408 3.314 0.314 7 0 "[ . 1]" 1
1335 1 87 CYS QB 1 88 ASP H 2.770 . 3.740 1.864 1.666 3.029 0.134 5 0 "[ . 1]" 1
1336 1 88 ASP H 1 88 ASP QB 2.370 . 2.940 2.715 2.323 2.827 . 0 0 "[ . 1]" 1
1337 1 88 ASP H 1 89 VAL H 3.250 . 4.700 4.277 4.166 4.645 . 0 0 "[ . 1]" 1
1338 1 88 ASP HA 1 89 VAL H 2.170 . 2.540 2.273 2.230 2.319 . 0 0 "[ . 1]" 1
1339 1 88 ASP HA 1 89 VAL QG 3.360 . 4.920 3.276 3.140 3.680 . 0 0 "[ . 1]" 1
1340 1 88 ASP QB 1 89 VAL H 2.650 . 3.500 3.420 2.967 3.747 0.247 5 0 "[ . 1]" 1
1341 1 89 VAL H 1 89 VAL QG 2.460 . 3.120 2.112 1.896 2.856 . 0 0 "[ . 1]" 1
1342 1 89 VAL H 1 90 THR HA 3.230 . 4.660 4.764 4.656 4.804 0.144 9 0 "[ . 1]" 1
1343 1 89 VAL HA 1 89 VAL QG 2.940 . 4.090 2.278 2.071 2.349 . 0 0 "[ . 1]" 1
1344 1 89 VAL HA 1 90 THR H 2.300 . 2.800 2.215 2.179 2.261 . 0 0 "[ . 1]" 1
1345 1 89 VAL HA 1 90 THR MG 2.790 . 3.780 3.628 3.271 3.862 0.082 3 0 "[ . 1]" 1
1346 1 89 VAL HB 1 90 THR H 3.130 . 4.460 3.196 2.800 4.188 . 0 0 "[ . 1]" 1
1347 1 89 VAL HB 1 91 GLY H 3.260 . 4.720 3.019 2.662 4.226 . 0 0 "[ . 1]" 1
1348 1 89 VAL HB 1 92 TRP HE1 3.440 . 5.080 4.649 4.355 4.864 . 0 0 "[ . 1]" 1
1349 1 89 VAL QG 1 90 THR H 2.540 . 3.280 3.201 2.378 3.453 0.173 3 0 "[ . 1]" 1
1350 1 89 VAL QG 1 90 THR HA 3.620 . 5.440 3.870 3.723 3.990 . 0 0 "[ . 1]" 1
1351 1 89 VAL QG 1 91 GLY H 2.500 . 3.190 2.943 1.855 3.306 0.116 8 0 "[ . 1]" 1
1352 1 89 VAL QG 1 92 TRP HB3 3.620 . 5.440 4.772 3.725 5.294 . 0 0 "[ . 1]" 1
1353 1 89 VAL QG 1 92 TRP HE1 2.770 . 3.730 3.192 2.484 3.478 . 0 0 "[ . 1]" 1
1354 1 89 VAL QG 1 92 TRP HZ2 3.600 . 5.410 5.240 4.611 5.458 0.048 9 0 "[ . 1]" 1
1355 1 90 THR H 1 90 THR MG 2.600 . 3.400 2.146 1.891 2.491 . 0 0 "[ . 1]" 1
1356 1 90 THR H 1 91 GLY H 2.460 . 3.110 2.200 2.101 2.319 . 0 0 "[ . 1]" 1
1357 1 90 THR HA 1 90 THR MG 2.850 . 3.890 2.871 2.372 3.197 . 0 0 "[ . 1]" 1
1358 1 90 THR HB 1 91 GLY H 3.060 . 4.320 4.255 4.114 4.329 0.009 10 0 "[ . 1]" 1
1359 1 90 THR MG 1 91 GLY H 2.910 . 4.020 3.233 2.565 4.061 0.041 6 0 "[ . 1]" 1
1360 1 91 GLY H 1 92 TRP H 3.150 . 4.500 4.126 3.706 4.401 . 0 0 "[ . 1]" 1
1361 1 91 GLY H 1 92 TRP HA 3.280 . 4.760 4.579 4.362 4.701 . 0 0 "[ . 1]" 1
1362 1 91 GLY HA2 1 92 TRP H 2.370 . 2.940 2.759 2.451 3.185 0.245 2 0 "[ . 1]" 1
1363 1 91 GLY HA3 1 92 TRP H 2.350 . 2.900 2.469 2.082 2.773 . 0 0 "[ . 1]" 1
1364 1 91 GLY HA3 1 92 TRP HD1 3.350 . 4.900 3.964 3.761 4.506 . 0 0 "[ . 1]" 1
1365 1 91 GLY HA3 1 92 TRP HE1 3.320 . 4.840 3.857 3.447 4.588 . 0 0 "[ . 1]" 1
1366 1 92 TRP H 1 92 TRP HB2 2.720 . 3.640 3.399 3.260 3.511 . 0 0 "[ . 1]" 1
1367 1 92 TRP H 1 92 TRP HB3 2.770 . 3.740 3.698 3.341 3.915 0.175 10 0 "[ . 1]" 1
1368 1 92 TRP H 1 92 TRP HD1 2.940 . 4.090 3.671 2.884 4.117 0.027 7 0 "[ . 1]" 1
1369 1 92 TRP H 1 92 TRP HE1 3.250 . 4.700 4.442 3.770 4.880 0.180 10 0 "[ . 1]" 1
1370 1 92 TRP H 1 92 TRP HE3 3.070 . 4.340 3.590 3.428 3.809 . 0 0 "[ . 1]" 1
1371 1 92 TRP H 1 93 VAL H 3.160 . 4.520 4.420 4.351 4.533 0.013 5 0 "[ . 1]" 1
1372 1 92 TRP HA 1 92 TRP HD1 3.510 . 5.220 3.561 3.447 3.880 . 0 0 "[ . 1]" 1
1373 1 92 TRP HA 1 92 TRP HE3 3.330 . 4.860 4.807 4.574 4.940 0.080 1 0 "[ . 1]" 1
1374 1 92 TRP HA 1 93 VAL H 2.330 . 2.860 2.431 2.366 2.514 . 0 0 "[ . 1]" 1
1375 1 92 TRP HB2 1 92 TRP HE3 2.960 . 4.120 2.553 2.465 2.669 . 0 0 "[ . 1]" 1
1376 1 92 TRP HB2 1 93 VAL H 2.770 . 3.730 2.584 2.308 2.789 . 0 0 "[ . 1]" 1
1377 1 92 TRP HB3 1 92 TRP HE1 3.380 . 4.960 4.782 4.760 4.815 . 0 0 "[ . 1]" 1
1378 1 92 TRP HB3 1 92 TRP HE3 3.000 . 4.210 4.084 4.006 4.154 . 0 0 "[ . 1]" 1
1379 1 92 TRP HB3 1 93 VAL H 2.610 . 3.420 2.858 2.696 2.978 . 0 0 "[ . 1]" 1
1380 1 92 TRP HE3 1 93 VAL H 3.270 . 4.740 4.656 4.337 4.836 0.096 9 0 "[ . 1]" 1
1381 1 93 VAL H 1 93 VAL HB 2.560 . 3.320 2.919 2.740 3.745 0.425 1 0 "[ . 1]" 1
1382 1 93 VAL H 1 93 VAL QG 2.410 . 3.020 2.754 2.194 3.016 . 0 0 "[ . 1]" 1
1383 1 93 VAL H 1 94 LEU H 3.170 . 4.540 4.348 4.312 4.374 . 0 0 "[ . 1]" 1
1384 1 93 VAL H 1 94 LEU HB2 3.470 . 5.140 4.667 4.385 5.026 . 0 0 "[ . 1]" 1
1385 1 93 VAL HA 1 93 VAL QG 2.980 . 4.170 2.088 2.049 2.212 . 0 0 "[ . 1]" 1
1386 1 93 VAL HA 1 94 LEU H 2.150 . 2.500 2.197 2.168 2.294 . 0 0 "[ . 1]" 1
1387 1 93 VAL HB 1 94 LEU H 2.920 . 4.040 3.932 2.784 4.158 0.118 4 0 "[ . 1]" 1
1388 1 93 VAL QG 1 94 LEU H 2.520 . 3.230 2.399 2.165 3.159 . 0 0 "[ . 1]" 1
1389 1 94 LEU H 1 94 LEU HB2 2.560 . 3.330 3.136 2.861 3.368 0.038 5 0 "[ . 1]" 1
1390 1 94 LEU H 1 94 LEU HB3 2.560 . 3.320 3.043 2.833 3.210 . 0 0 "[ . 1]" 1
1391 1 94 LEU H 1 94 LEU QD 3.330 . 4.860 3.891 3.726 4.022 . 0 0 "[ . 1]" 1
1392 1 94 LEU HA 1 94 LEU QD 2.970 . 4.140 2.242 1.994 2.421 . 0 0 "[ . 1]" 1
1393 1 94 LEU HB2 1 94 LEU QD 2.670 . 3.540 2.245 2.074 2.360 . 0 0 "[ . 1]" 1
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