NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
457174 |
2km0   |
16408 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2km0
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 1155
_Distance_constraint_stats_list.Viol_count 1756
_Distance_constraint_stats_list.Viol_total 3610.006
_Distance_constraint_stats_list.Viol_max 0.974
_Distance_constraint_stats_list.Viol_rms 0.0449
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.1028
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 1.104 0.156 15 0 "[ . 1 . 2]"
1 2 ASP 2.017 0.337 19 0 "[ . 1 . 2]"
1 3 MET 6.779 0.337 19 0 "[ . 1 . 2]"
1 4 SER 0.924 0.187 6 0 "[ . 1 . 2]"
1 5 ASN 1.842 0.178 9 0 "[ . 1 . 2]"
1 6 VAL 0.966 0.170 1 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 5.755 0.895 3 3 "[ -+ . 1 . *2]"
1 9 THR 2.541 0.117 18 0 "[ . 1 . 2]"
1 10 TYR 6.780 0.254 14 0 "[ . 1 . 2]"
1 11 ASP 22.400 0.808 4 10 "[ +. - ******. * *2]"
1 12 LEU 12.656 0.620 9 6 "[ . - +1*** . *2]"
1 13 GLN 3.141 0.602 15 2 "[ . 1 + -2]"
1 14 ASP 2.282 0.337 19 0 "[ . 1 . 2]"
1 15 GLY 1.454 0.073 20 0 "[ . 1 . 2]"
1 16 SER 3.339 0.429 4 0 "[ . 1 . 2]"
1 17 LYS 8.685 0.670 14 3 "[ . *1 +. -2]"
1 18 VAL 3.603 0.231 16 0 "[ . 1 . 2]"
1 19 HIS 9.140 0.628 5 1 "[ + 1 . 2]"
1 20 VAL 5.614 0.186 15 0 "[ . 1 . 2]"
1 21 PHE 9.764 0.419 14 0 "[ . 1 . 2]"
1 22 LYS 3.785 0.419 14 0 "[ . 1 . 2]"
1 23 ASP 2.322 0.629 10 1 "[ . + . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 8.243 0.629 10 4 "[ . +* .* -2]"
1 26 MET 5.449 0.254 14 0 "[ . 1 . 2]"
1 27 GLY 3.041 0.268 12 0 "[ . 1 . 2]"
1 28 MET 5.666 0.266 17 0 "[ . 1 . 2]"
1 29 GLU 11.156 0.628 5 2 "[ + 1 . *]"
1 30 ASN 4.668 0.305 19 0 "[ . 1 . 2]"
1 31 LYS 13.353 0.931 4 4 "[ * +.* - . 2]"
1 32 PHE 10.275 0.931 4 5 "[ * +.* *- . 2]"
1 33 GLY 6.654 0.627 20 1 "[ . 1 . +]"
1 34 LYS 7.134 0.627 11 1 "[ . 1+ . 2]"
1 35 SER 2.853 0.348 2 0 "[ . 1 . 2]"
1 36 MET 10.086 0.578 10 1 "[ . + . 2]"
1 37 ASN 2.203 0.214 6 0 "[ . 1 . 2]"
1 38 MET 4.972 0.920 10 1 "[ . + . 2]"
1 39 PRO 3.965 0.920 10 1 "[ . + . 2]"
1 40 GLU 6.263 0.645 10 3 "[ . * + . * 2]"
1 41 GLY 6.066 0.645 10 3 "[ . * + . * 2]"
1 42 LYS 1.303 0.136 6 0 "[ . 1 . 2]"
1 43 VAL 2.387 0.363 2 0 "[ . 1 . 2]"
1 44 MET 3.134 0.264 12 0 "[ . 1 . 2]"
1 45 GLU 0.111 0.078 19 0 "[ . 1 . 2]"
1 46 THR 3.199 0.143 15 0 "[ . 1 . 2]"
1 47 ARG 8.867 0.808 4 3 "[ +. * . - 2]"
1 48 ASP 10.072 0.853 3 5 "[ + - ** *. 2]"
1 49 GLY 7.723 0.853 3 6 "[ + * ** *- 2]"
1 50 THR 5.216 0.174 18 0 "[ . 1 . 2]"
1 51 LYS 8.760 0.198 16 0 "[ . 1 . 2]"
1 52 ILE 5.089 0.742 4 1 "[ +. 1 . 2]"
1 53 ILE 3.572 0.363 2 0 "[ . 1 . 2]"
1 54 MET 5.061 0.268 12 0 "[ . 1 . 2]"
1 57 ASN 1.152 0.195 13 0 "[ . 1 . 2]"
1 58 GLU 1.951 0.226 3 0 "[ . 1 . 2]"
1 59 ILE 4.648 0.300 5 0 "[ . 1 . 2]"
1 60 PHE 0.478 0.109 1 0 "[ . 1 . 2]"
1 61 ARG 1.027 0.402 15 0 "[ . 1 . 2]"
1 62 LEU 4.917 0.974 3 1 "[ + . 1 . 2]"
1 63 ASP 4.722 0.974 3 2 "[ +-. 1 . 2]"
1 64 GLU 2.646 0.391 19 0 "[ . 1 . 2]"
1 65 ALA 2.866 0.431 12 0 "[ . 1 . 2]"
1 66 LEU 5.182 0.545 4 1 "[ +. 1 . 2]"
1 67 ARG 2.728 0.423 11 0 "[ . 1 . 2]"
1 68 LYS 0.380 0.161 12 0 "[ . 1 . 2]"
1 70 HIS 0.471 0.094 6 0 "[ . 1 . 2]"
1 71 SER 0.471 0.094 6 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL HA 1 2 ASP HA 5.420 . 5.420 4.377 4.264 5.326 . 0 0 "[ . 1 . 2]" 1
2 1 1 VAL HA 1 2 ASP QB 5.500 . 5.500 4.314 3.985 4.521 . 0 0 "[ . 1 . 2]" 1
3 1 1 VAL QG 1 2 ASP HA 4.880 . 4.880 3.831 3.490 4.391 . 0 0 "[ . 1 . 2]" 1
4 1 1 VAL QG 1 3 MET H 5.500 . 5.500 2.459 1.449 4.613 . 0 0 "[ . 1 . 2]" 1
5 1 1 VAL QG 1 3 MET ME 4.640 . 4.640 2.662 1.588 4.730 0.090 3 0 "[ . 1 . 2]" 1
6 1 1 VAL QG 1 3 MET HG2 5.500 . 5.500 3.161 1.894 4.471 . 0 0 "[ . 1 . 2]" 1
7 1 1 VAL QG 1 3 MET HG3 5.500 . 5.500 4.338 3.236 5.507 0.007 2 0 "[ . 1 . 2]" 1
8 1 1 VAL QG 1 4 SER QB 5.500 . 5.500 5.195 4.329 5.656 0.156 15 0 "[ . 1 . 2]" 1
9 1 1 VAL QG 1 19 HIS HD2 3.500 . 3.500 2.798 1.842 3.516 0.016 19 0 "[ . 1 . 2]" 1
10 1 1 VAL QG 1 19 HIS HE1 6.000 . 6.000 5.303 4.349 6.078 0.078 10 0 "[ . 1 . 2]" 1
11 1 1 VAL QG 1 21 PHE QD 4.000 . 4.000 3.845 3.459 4.095 0.095 10 0 "[ . 1 . 2]" 1
12 1 1 VAL QG 1 21 PHE QE 4.000 . 4.000 2.245 1.794 2.610 . 0 0 "[ . 1 . 2]" 1
13 1 1 VAL QG 1 21 PHE HZ 4.000 . 4.000 2.392 1.742 3.187 . 0 0 "[ . 1 . 2]" 1
14 1 1 VAL QG 1 62 LEU QD 2.610 . 2.610 2.007 1.540 2.562 . 0 0 "[ . 1 . 2]" 1
15 1 2 ASP HA 1 3 MET H 3.020 . 3.020 2.950 2.160 3.357 0.337 19 0 "[ . 1 . 2]" 1
16 1 2 ASP HA 1 3 MET HG2 5.500 . 5.500 4.079 3.286 5.179 . 0 0 "[ . 1 . 2]" 1
17 1 2 ASP HA 1 3 MET HG3 5.500 . 5.500 4.819 3.739 5.379 . 0 0 "[ . 1 . 2]" 1
18 1 2 ASP HA 1 4 SER H 4.590 . 4.590 4.235 3.688 4.570 . 0 0 "[ . 1 . 2]" 1
19 1 2 ASP QB 1 3 MET H 5.000 . 5.000 3.415 2.465 3.959 . 0 0 "[ . 1 . 2]" 1
20 1 2 ASP QB 1 4 SER H 5.000 . 5.000 2.981 2.416 3.961 . 0 0 "[ . 1 . 2]" 1
21 1 2 ASP QB 1 4 SER HA 5.150 . 5.150 4.775 4.188 5.033 . 0 0 "[ . 1 . 2]" 1
22 1 3 MET H 1 3 MET HB2 3.510 . 3.510 3.248 2.418 3.559 0.049 5 0 "[ . 1 . 2]" 1
23 1 3 MET H 1 3 MET HB3 4.090 . 4.090 3.929 3.616 4.113 0.023 5 0 "[ . 1 . 2]" 1
24 1 3 MET H 1 3 MET HG2 3.720 . 3.720 2.743 2.519 3.663 . 0 0 "[ . 1 . 2]" 1
25 1 3 MET H 1 3 MET HG3 3.940 . 3.940 3.876 2.722 4.139 0.199 11 0 "[ . 1 . 2]" 1
26 1 3 MET H 1 4 SER H 3.470 . 3.470 2.694 2.294 2.895 . 0 0 "[ . 1 . 2]" 1
27 1 3 MET H 1 4 SER QB 5.500 . 5.500 4.622 3.691 5.121 . 0 0 "[ . 1 . 2]" 1
28 1 3 MET H 1 5 ASN H 4.460 . 4.460 4.336 3.741 4.601 0.141 16 0 "[ . 1 . 2]" 1
29 1 3 MET HA 1 3 MET ME 4.200 . 4.200 2.062 1.428 3.523 . 0 0 "[ . 1 . 2]" 1
30 1 3 MET HA 1 3 MET HG2 4.110 . 4.110 2.754 2.314 3.315 . 0 0 "[ . 1 . 2]" 1
31 1 3 MET HA 1 4 SER HA 4.840 . 4.840 4.661 4.533 4.838 . 0 0 "[ . 1 . 2]" 1
32 1 3 MET HA 1 4 SER QB 5.300 . 5.300 5.032 4.723 5.254 . 0 0 "[ . 1 . 2]" 1
33 1 3 MET HA 1 5 ASN H 5.260 . 5.260 3.719 3.130 4.213 . 0 0 "[ . 1 . 2]" 1
34 1 3 MET HA 1 6 VAL H 4.880 . 4.880 3.217 2.484 3.592 . 0 0 "[ . 1 . 2]" 1
35 1 3 MET HA 1 6 VAL HB 3.340 . 3.340 3.047 2.265 3.439 0.099 9 0 "[ . 1 . 2]" 1
36 1 3 MET HA 1 6 VAL QG 3.800 . 3.800 2.081 1.687 2.558 . 0 0 "[ . 1 . 2]" 1
37 1 3 MET HB2 1 4 SER H 4.620 . 4.620 3.932 3.575 4.145 . 0 0 "[ . 1 . 2]" 1
38 1 3 MET HB2 1 4 SER HA 5.480 . 5.480 4.668 4.414 4.849 . 0 0 "[ . 1 . 2]" 1
39 1 3 MET HB2 1 4 SER QB 5.500 . 5.500 5.222 4.662 5.687 0.187 6 0 "[ . 1 . 2]" 1
40 1 3 MET HB3 1 4 SER H 4.990 . 4.990 4.404 4.236 4.491 . 0 0 "[ . 1 . 2]" 1
41 1 3 MET HB3 1 6 VAL H 5.500 . 5.500 4.556 3.806 5.226 . 0 0 "[ . 1 . 2]" 1
42 1 3 MET ME 1 3 MET HG3 3.650 . 3.650 3.308 2.473 3.418 . 0 0 "[ . 1 . 2]" 1
43 1 3 MET ME 1 6 VAL H 5.500 . 5.500 3.947 3.405 4.593 . 0 0 "[ . 1 . 2]" 1
44 1 3 MET ME 1 6 VAL HB 2.460 . 2.460 2.465 2.007 2.630 0.170 1 0 "[ . 1 . 2]" 1
45 1 3 MET ME 1 6 VAL QG 4.160 . 4.160 1.998 1.294 2.412 . 0 0 "[ . 1 . 2]" 1
46 1 3 MET HG2 1 4 SER H 5.500 . 5.500 4.789 4.621 5.099 . 0 0 "[ . 1 . 2]" 1
47 1 4 SER H 1 4 SER QB 3.280 . 3.280 2.468 2.228 2.785 . 0 0 "[ . 1 . 2]" 1
48 1 4 SER H 1 5 ASN H 3.900 . 3.900 2.379 2.032 2.766 . 0 0 "[ . 1 . 2]" 1
49 1 4 SER H 1 6 VAL H 5.250 . 5.250 3.767 3.378 4.166 . 0 0 "[ . 1 . 2]" 1
50 1 4 SER HA 1 5 ASN HA 5.400 . 5.400 4.621 4.493 4.751 . 0 0 "[ . 1 . 2]" 1
51 1 4 SER HA 1 6 VAL H 5.070 . 5.070 4.109 3.745 4.524 . 0 0 "[ . 1 . 2]" 1
52 1 4 SER QB 1 5 ASN H 4.310 . 4.310 2.960 2.594 3.565 . 0 0 "[ . 1 . 2]" 1
53 1 5 ASN H 1 5 ASN HB3 3.800 . 3.800 3.526 2.690 3.735 . 0 0 "[ . 1 . 2]" 1
54 1 5 ASN H 1 5 ASN HD21 5.500 . 5.500 3.812 2.416 4.765 . 0 0 "[ . 1 . 2]" 1
55 1 5 ASN H 1 5 ASN HD22 5.500 . 5.500 4.702 3.853 5.678 0.178 9 0 "[ . 1 . 2]" 1
56 1 5 ASN H 1 6 VAL H 3.660 . 3.660 2.367 2.035 2.626 . 0 0 "[ . 1 . 2]" 1
57 1 5 ASN H 1 6 VAL HB 4.950 . 4.950 4.492 3.731 4.938 . 0 0 "[ . 1 . 2]" 1
58 1 5 ASN H 1 6 VAL QG 5.450 . 5.450 3.461 2.841 3.758 . 0 0 "[ . 1 . 2]" 1
59 1 5 ASN HA 1 5 ASN HD22 5.500 . 5.500 4.124 3.103 4.622 . 0 0 "[ . 1 . 2]" 1
60 1 5 ASN HA 1 21 PHE QD 6.000 . 6.000 4.476 4.028 4.800 . 0 0 "[ . 1 . 2]" 1
61 1 5 ASN HA 1 22 LYS H 5.500 . 5.500 3.950 3.456 4.379 . 0 0 "[ . 1 . 2]" 1
62 1 5 ASN HA 1 22 LYS QB 4.880 . 4.880 3.958 3.237 4.753 . 0 0 "[ . 1 . 2]" 1
63 1 5 ASN HA 1 22 LYS QD 4.830 . 4.830 3.625 2.430 4.749 . 0 0 "[ . 1 . 2]" 1
64 1 5 ASN HA 1 22 LYS QE 4.320 . 4.320 2.607 1.723 4.038 . 0 0 "[ . 1 . 2]" 1
65 1 5 ASN HB2 1 6 VAL H 5.410 . 5.410 3.591 2.920 4.247 . 0 0 "[ . 1 . 2]" 1
66 1 5 ASN HB2 1 21 PHE QD . . 4.000 3.132 2.023 4.030 0.030 6 0 "[ . 1 . 2]" 1
67 1 5 ASN HB3 1 6 VAL H 5.090 . 5.090 4.009 3.024 4.464 . 0 0 "[ . 1 . 2]" 1
68 1 5 ASN HB3 1 21 PHE QD . . 4.000 3.248 2.247 4.012 0.012 8 0 "[ . 1 . 2]" 1
69 1 5 ASN HB3 1 22 LYS H 5.500 . 5.500 3.348 2.499 4.254 . 0 0 "[ . 1 . 2]" 1
70 1 5 ASN HB3 1 22 LYS QB 5.180 . 5.180 4.055 2.923 5.202 0.022 9 0 "[ . 1 . 2]" 1
71 1 5 ASN HB3 1 22 LYS QE 4.590 . 4.590 4.335 3.117 4.668 0.078 15 0 "[ . 1 . 2]" 1
72 1 6 VAL H 1 6 VAL HB 3.210 . 3.210 2.677 2.528 2.956 . 0 0 "[ . 1 . 2]" 1
73 1 6 VAL H 1 6 VAL QG . . 4.050 2.025 1.872 2.369 . 0 0 "[ . 1 . 2]" 1
74 1 6 VAL HA 1 7 VAL HA 5.500 . 5.500 4.388 4.353 4.431 . 0 0 "[ . 1 . 2]" 1
75 1 6 VAL HA 1 8 LYS H 5.500 . 5.500 3.857 3.434 4.167 . 0 0 "[ . 1 . 2]" 1
76 1 6 VAL HA 1 21 PHE H 5.500 . 5.500 4.308 4.034 4.999 . 0 0 "[ . 1 . 2]" 1
77 1 6 VAL HA 1 21 PHE HA 3.650 . 3.650 1.793 1.481 2.492 . 0 0 "[ . 1 . 2]" 1
78 1 6 VAL HA 1 21 PHE QD . . 4.000 2.271 1.837 3.067 . 0 0 "[ . 1 . 2]" 1
79 1 6 VAL HA 1 22 LYS H 4.840 . 4.840 3.476 3.179 3.792 . 0 0 "[ . 1 . 2]" 1
80 1 6 VAL QG 1 7 VAL H 5.500 . 5.500 2.449 2.159 2.755 . 0 0 "[ . 1 . 2]" 1
81 1 6 VAL QG 1 8 LYS H 4.510 . 4.510 2.544 2.229 2.967 . 0 0 "[ . 1 . 2]" 1
82 1 6 VAL QG 1 8 LYS HA 4.750 . 4.750 3.733 3.463 4.119 . 0 0 "[ . 1 . 2]" 1
83 1 6 VAL QG 1 9 THR H 5.400 . 5.400 4.134 3.723 4.558 . 0 0 "[ . 1 . 2]" 1
84 1 6 VAL QG 1 9 THR MG 4.160 . 4.160 3.704 3.452 4.012 . 0 0 "[ . 1 . 2]" 1
85 1 6 VAL QG 1 19 HIS HA 4.770 . 4.770 2.783 2.554 3.041 . 0 0 "[ . 1 . 2]" 1
86 1 6 VAL QG 1 19 HIS HB2 . . 4.690 3.090 2.293 3.453 . 0 0 "[ . 1 . 2]" 1
87 1 6 VAL QG 1 19 HIS HB3 . . 4.100 2.067 1.794 2.283 . 0 0 "[ . 1 . 2]" 1
88 1 6 VAL QG 1 19 HIS HD2 6.000 . 6.000 4.709 4.055 5.028 . 0 0 "[ . 1 . 2]" 1
89 1 6 VAL QG 1 20 VAL H 4.320 . 4.320 2.818 2.578 3.294 . 0 0 "[ . 1 . 2]" 1
90 1 6 VAL QG 1 21 PHE HA 5.500 . 5.500 3.174 2.801 3.508 . 0 0 "[ . 1 . 2]" 1
91 1 6 VAL QG 1 21 PHE QD . . 3.500 2.891 2.111 3.224 . 0 0 "[ . 1 . 2]" 1
92 1 6 VAL QG 1 21 PHE QE 4.000 . 4.000 3.006 2.025 3.455 . 0 0 "[ . 1 . 2]" 1
93 1 6 VAL QG 1 21 PHE HZ 6.000 . 6.000 4.481 3.478 5.016 . 0 0 "[ . 1 . 2]" 1
94 1 7 VAL H 1 8 LYS H 4.360 . 4.360 2.002 1.852 2.177 . 0 0 "[ . 1 . 2]" 1
95 1 7 VAL HA 1 22 LYS HG3 5.500 . 5.500 4.219 3.214 5.216 . 0 0 "[ . 1 . 2]" 1
96 1 7 VAL HB 1 8 LYS H 4.890 . 4.890 3.946 3.338 4.092 . 0 0 "[ . 1 . 2]" 1
97 1 7 VAL QG 1 8 LYS H . . 5.070 2.220 1.915 2.444 . 0 0 "[ . 1 . 2]" 1
98 1 7 VAL QG 1 8 LYS HB2 . . 4.950 2.641 2.359 3.252 . 0 0 "[ . 1 . 2]" 1
99 1 7 VAL QG 1 9 THR H 5.500 . 5.500 5.150 4.997 5.397 . 0 0 "[ . 1 . 2]" 1
100 1 7 VAL QG 1 20 VAL H 5.500 . 5.500 4.574 4.246 5.149 . 0 0 "[ . 1 . 2]" 1
101 1 7 VAL QG 1 21 PHE H 5.500 . 5.500 4.203 3.929 5.107 . 0 0 "[ . 1 . 2]" 1
102 1 7 VAL QG 1 21 PHE HA 4.990 . 4.990 3.050 2.731 3.679 . 0 0 "[ . 1 . 2]" 1
103 1 7 VAL QG 1 21 PHE QD 6.000 . 6.000 4.884 4.526 5.122 . 0 0 "[ . 1 . 2]" 1
104 1 7 VAL QG 1 22 LYS H . . 4.970 3.375 2.978 3.720 . 0 0 "[ . 1 . 2]" 1
105 1 7 VAL QG 1 22 LYS HA 3.430 . 3.430 2.773 2.147 3.255 . 0 0 "[ . 1 . 2]" 1
106 1 7 VAL QG 1 22 LYS QD 5.500 . 5.500 3.441 1.888 4.402 . 0 0 "[ . 1 . 2]" 1
107 1 7 VAL QG 1 22 LYS QE 4.610 . 4.610 3.568 2.649 4.217 . 0 0 "[ . 1 . 2]" 1
108 1 7 VAL QG 1 22 LYS HG2 6.000 . 6.000 2.680 1.557 3.477 . 0 0 "[ . 1 . 2]" 1
109 1 7 VAL QG 1 22 LYS QG 6.000 . 6.000 2.410 1.548 2.909 . 0 0 "[ . 1 . 2]" 1
110 1 7 VAL QG 1 22 LYS HG3 4.360 . 4.360 2.861 1.896 3.633 . 0 0 "[ . 1 . 2]" 1
111 1 8 LYS H 1 9 THR H 5.070 . 5.070 4.302 4.131 4.442 . 0 0 "[ . 1 . 2]" 1
112 1 8 LYS H 1 20 VAL H 4.420 . 4.420 3.591 3.365 3.861 . 0 0 "[ . 1 . 2]" 1
113 1 8 LYS H 1 20 VAL HB 4.730 . 4.730 3.201 2.904 4.793 0.063 15 0 "[ . 1 . 2]" 1
114 1 8 LYS H 1 20 VAL QG 5.500 . 5.500 3.675 2.049 3.999 . 0 0 "[ . 1 . 2]" 1
115 1 8 LYS HA 1 8 LYS QD 4.170 . 4.170 2.667 1.959 4.027 . 0 0 "[ . 1 . 2]" 1
116 1 8 LYS HA 1 8 LYS HE2 5.500 . 5.500 4.789 3.641 5.739 0.239 8 0 "[ . 1 . 2]" 1
117 1 8 LYS HA 1 8 LYS HE3 5.500 . 5.500 4.606 4.007 5.314 . 0 0 "[ . 1 . 2]" 1
118 1 8 LYS HA 1 8 LYS QG 3.770 . 3.770 2.630 2.229 2.982 . 0 0 "[ . 1 . 2]" 1
119 1 8 LYS HA 1 9 THR H 2.830 . 2.830 2.216 2.087 2.353 . 0 0 "[ . 1 . 2]" 1
120 1 8 LYS HA 1 9 THR HA 5.390 . 5.390 4.414 4.342 4.488 . 0 0 "[ . 1 . 2]" 1
121 1 8 LYS HA 1 9 THR HB 4.470 . 4.470 4.515 4.451 4.587 0.117 18 0 "[ . 1 . 2]" 1
122 1 8 LYS HA 1 10 TYR QE 6.000 . 6.000 5.685 5.151 6.057 0.057 10 0 "[ . 1 . 2]" 1
123 1 8 LYS HA 1 20 VAL H 5.500 . 5.500 4.993 4.780 5.179 . 0 0 "[ . 1 . 2]" 1
124 1 8 LYS HB2 1 8 LYS QD 2.400 . 2.400 2.468 2.187 3.295 0.895 3 3 "[ -+ . 1 . *2]" 1
125 1 8 LYS HB2 1 9 THR H 4.240 . 4.240 4.127 3.882 4.280 0.040 1 0 "[ . 1 . 2]" 1
126 1 8 LYS HB2 1 10 TYR QE 5.500 . 5.500 4.782 3.981 5.089 . 0 0 "[ . 1 . 2]" 1
127 1 8 LYS HB3 1 9 THR H 4.120 . 4.120 3.746 2.622 4.176 0.056 14 0 "[ . 1 . 2]" 1
128 1 8 LYS HB3 1 10 TYR QE . . 4.000 3.913 3.040 4.181 0.181 11 0 "[ . 1 . 2]" 1
129 1 8 LYS HB3 1 20 VAL H 5.280 . 5.280 4.132 3.489 4.662 . 0 0 "[ . 1 . 2]" 1
130 1 8 LYS HB3 1 20 VAL HB 4.120 . 4.120 2.868 1.744 4.070 . 0 0 "[ . 1 . 2]" 1
131 1 8 LYS HB3 1 20 VAL QG . . 4.540 2.962 1.515 3.381 . 0 0 "[ . 1 . 2]" 1
132 1 8 LYS QD 1 9 THR H 4.230 . 4.230 3.114 1.924 4.324 0.094 2 0 "[ . 1 . 2]" 1
133 1 8 LYS QD 1 10 TYR QE . . 4.000 3.376 1.886 4.090 0.090 4 0 "[ . 1 . 2]" 1
134 1 8 LYS HE2 1 10 TYR QE 4.960 . 4.960 3.153 2.221 4.878 . 0 0 "[ . 1 . 2]" 1
135 1 8 LYS HE3 1 9 THR H 5.500 . 5.500 4.441 3.192 5.564 0.064 13 0 "[ . 1 . 2]" 1
136 1 8 LYS HE3 1 10 TYR QD 5.500 . 5.500 4.071 2.855 5.544 0.044 3 0 "[ . 1 . 2]" 1
137 1 8 LYS HE3 1 10 TYR QE 5.170 . 5.170 3.265 1.576 4.873 . 0 0 "[ . 1 . 2]" 1
138 1 8 LYS QG 1 9 THR H 3.790 . 3.790 2.683 2.058 3.768 . 0 0 "[ . 1 . 2]" 1
139 1 8 LYS QG 1 10 TYR QE 5.500 . 5.500 2.878 2.211 4.202 . 0 0 "[ . 1 . 2]" 1
140 1 8 LYS QG 1 20 VAL HB 5.490 . 5.490 4.300 3.313 5.160 . 0 0 "[ . 1 . 2]" 1
141 1 9 THR H 1 9 THR HB 3.220 . 3.220 2.745 2.553 2.889 . 0 0 "[ . 1 . 2]" 1
142 1 9 THR H 1 10 TYR H 5.500 . 5.500 4.177 3.916 4.361 . 0 0 "[ . 1 . 2]" 1
143 1 9 THR HA 1 9 THR MG 3.710 . 3.710 2.411 2.359 2.449 . 0 0 "[ . 1 . 2]" 1
144 1 9 THR HA 1 10 TYR H 3.200 . 3.200 2.152 2.128 2.193 . 0 0 "[ . 1 . 2]" 1
145 1 9 THR HA 1 10 TYR HA 5.060 . 5.060 4.394 4.362 4.418 . 0 0 "[ . 1 . 2]" 1
146 1 9 THR HA 1 10 TYR QD 4.920 . 4.920 4.340 3.945 4.596 . 0 0 "[ . 1 . 2]" 1
147 1 9 THR HA 1 10 TYR QE 6.000 . 6.000 5.143 4.783 5.367 . 0 0 "[ . 1 . 2]" 1
148 1 9 THR HB 1 10 TYR H 5.150 . 5.150 4.269 4.089 4.371 . 0 0 "[ . 1 . 2]" 1
149 1 9 THR HB 1 10 TYR HA 5.050 . 5.050 4.938 4.795 5.061 0.011 11 0 "[ . 1 . 2]" 1
150 1 9 THR HB 1 19 HIS HE1 6.000 . 6.000 5.944 5.460 6.081 0.081 18 0 "[ . 1 . 2]" 1
151 1 9 THR MG 1 10 TYR H 4.030 . 4.030 2.837 2.492 3.170 . 0 0 "[ . 1 . 2]" 1
152 1 9 THR MG 1 10 TYR HA 4.520 . 4.520 3.847 3.404 4.125 . 0 0 "[ . 1 . 2]" 1
153 1 9 THR MG 1 10 TYR QD 5.500 . 5.500 4.899 4.655 5.152 . 0 0 "[ . 1 . 2]" 1
154 1 9 THR MG 1 11 ASP H 5.210 . 5.210 4.294 3.949 4.667 . 0 0 "[ . 1 . 2]" 1
155 1 9 THR MG 1 12 LEU H 5.500 . 5.500 5.373 4.898 5.617 0.117 4 0 "[ . 1 . 2]" 1
156 1 9 THR MG 1 17 LYS QB 4.470 . 4.470 3.156 2.203 3.860 . 0 0 "[ . 1 . 2]" 1
157 1 9 THR MG 1 17 LYS QD 5.120 . 5.120 2.510 1.815 3.585 . 0 0 "[ . 1 . 2]" 1
158 1 9 THR MG 1 17 LYS QE 4.840 . 4.840 2.755 1.776 4.510 . 0 0 "[ . 1 . 2]" 1
159 1 9 THR MG 1 17 LYS HG2 3.850 . 3.850 2.414 1.860 3.554 . 0 0 "[ . 1 . 2]" 1
160 1 9 THR MG 1 17 LYS HG3 6.000 . 6.000 3.252 2.247 4.462 . 0 0 "[ . 1 . 2]" 1
161 1 9 THR MG 1 18 VAL H 4.220 . 4.220 3.287 2.786 3.663 . 0 0 "[ . 1 . 2]" 1
162 1 9 THR MG 1 19 HIS HE1 3.500 . 3.500 3.231 2.923 3.381 . 0 0 "[ . 1 . 2]" 1
163 1 10 TYR H 1 10 TYR HB2 3.970 . 3.970 2.705 2.615 2.978 . 0 0 "[ . 1 . 2]" 1
164 1 10 TYR H 1 10 TYR QD 4.270 . 4.270 3.004 2.605 3.226 . 0 0 "[ . 1 . 2]" 1
165 1 10 TYR H 1 11 ASP H 5.500 . 5.500 4.465 4.363 4.568 . 0 0 "[ . 1 . 2]" 1
166 1 10 TYR H 1 18 VAL H 4.180 . 4.180 3.276 2.957 3.613 . 0 0 "[ . 1 . 2]" 1
167 1 10 TYR H 1 18 VAL HB 5.500 . 5.500 4.906 4.652 5.036 . 0 0 "[ . 1 . 2]" 1
168 1 10 TYR H 1 18 VAL MG1 4.450 . 4.450 2.233 2.048 2.496 . 0 0 "[ . 1 . 2]" 1
169 1 10 TYR HA 1 11 ASP H 3.110 . 3.110 2.188 2.115 2.268 . 0 0 "[ . 1 . 2]" 1
170 1 10 TYR HB2 1 12 LEU QD 3.930 . 3.930 2.847 2.548 3.250 . 0 0 "[ . 1 . 2]" 1
171 1 10 TYR HB2 1 18 VAL H 4.480 . 4.480 3.572 3.256 4.039 . 0 0 "[ . 1 . 2]" 1
172 1 10 TYR HB2 1 18 VAL MG1 3.440 . 3.440 1.990 1.817 2.386 . 0 0 "[ . 1 . 2]" 1
173 1 10 TYR HB2 1 52 ILE MD 4.620 . 4.620 3.921 3.316 4.517 . 0 0 "[ . 1 . 2]" 1
174 1 10 TYR HB3 1 11 ASP H 3.430 . 3.430 3.183 2.861 3.433 0.003 13 0 "[ . 1 . 2]" 1
175 1 10 TYR HB3 1 12 LEU QD . . 4.680 3.498 3.181 3.935 . 0 0 "[ . 1 . 2]" 1
176 1 10 TYR HB3 1 46 THR HB 4.190 . 4.190 2.610 2.216 3.072 . 0 0 "[ . 1 . 2]" 1
177 1 10 TYR HB3 1 46 THR MG 3.570 . 3.570 2.076 1.833 2.727 . 0 0 "[ . 1 . 2]" 1
178 1 10 TYR HB3 1 47 ARG H 4.920 . 4.920 4.286 3.413 4.903 . 0 0 "[ . 1 . 2]" 1
179 1 10 TYR HB3 1 52 ILE MD 5.100 . 5.100 4.068 3.441 4.614 . 0 0 "[ . 1 . 2]" 1
180 1 10 TYR QD 1 11 ASP H 4.650 . 4.650 4.291 4.104 4.578 . 0 0 "[ . 1 . 2]" 1
181 1 10 TYR QD 1 12 LEU QD 5.500 . 5.500 3.762 3.405 4.207 . 0 0 "[ . 1 . 2]" 1
182 1 10 TYR QD 1 18 VAL H 5.500 . 5.500 4.526 4.093 4.714 . 0 0 "[ . 1 . 2]" 1
183 1 10 TYR QD 1 18 VAL HB 5.500 . 5.500 4.292 4.174 4.425 . 0 0 "[ . 1 . 2]" 1
184 1 10 TYR QD 1 18 VAL MG1 3.860 . 3.860 1.731 1.596 1.842 . 0 0 "[ . 1 . 2]" 1
185 1 10 TYR QD 1 18 VAL MG2 . . 4.000 3.386 3.031 3.603 . 0 0 "[ . 1 . 2]" 1
186 1 10 TYR QD 1 20 VAL QG 4.150 . 4.150 2.866 2.449 3.314 . 0 0 "[ . 1 . 2]" 1
187 1 10 TYR QD 1 26 MET ME 5.500 . 5.500 4.458 3.528 5.270 . 0 0 "[ . 1 . 2]" 1
188 1 10 TYR QD 1 46 THR HB 4.000 . 4.000 3.997 3.643 4.115 0.115 3 0 "[ . 1 . 2]" 1
189 1 10 TYR QD 1 46 THR MG 4.160 . 4.160 2.945 2.590 3.132 . 0 0 "[ . 1 . 2]" 1
190 1 10 TYR QD 1 52 ILE MD . . 3.500 2.979 2.601 3.640 0.140 4 0 "[ . 1 . 2]" 1
191 1 10 TYR QD 1 52 ILE MG 5.500 . 5.500 4.419 3.852 4.687 . 0 0 "[ . 1 . 2]" 1
192 1 10 TYR QE 1 18 VAL MG1 5.500 . 5.500 3.395 3.124 3.749 . 0 0 "[ . 1 . 2]" 1
193 1 10 TYR QE 1 18 VAL MG2 4.000 . 4.000 4.110 3.878 4.231 0.231 16 0 "[ . 1 . 2]" 1
194 1 10 TYR QE 1 20 VAL QG 3.710 . 3.710 1.936 1.541 2.372 . 0 0 "[ . 1 . 2]" 1
195 1 10 TYR QE 1 26 MET ME . . 4.000 3.936 3.206 4.254 0.254 14 0 "[ . 1 . 2]" 1
196 1 10 TYR QE 1 46 THR MG 5.500 . 5.500 4.048 3.795 4.201 . 0 0 "[ . 1 . 2]" 1
197 1 10 TYR QE 1 52 ILE MD . . 3.500 2.804 2.376 3.305 . 0 0 "[ . 1 . 2]" 1
198 1 10 TYR QE 1 52 ILE MG . . 4.000 3.942 3.482 4.224 0.224 19 0 "[ . 1 . 2]" 1
199 1 11 ASP H 1 11 ASP HB3 3.180 . 3.180 3.250 2.627 3.650 0.470 14 0 "[ . 1 . 2]" 1
200 1 11 ASP H 1 12 LEU H 4.810 . 4.810 4.421 4.316 4.502 . 0 0 "[ . 1 . 2]" 1
201 1 11 ASP H 1 12 LEU QD 5.500 . 5.500 4.227 3.969 4.667 . 0 0 "[ . 1 . 2]" 1
202 1 11 ASP H 1 17 LYS HA 5.500 . 5.500 5.197 4.939 5.411 . 0 0 "[ . 1 . 2]" 1
203 1 11 ASP H 1 46 THR HB 4.890 . 4.890 3.916 3.031 4.401 . 0 0 "[ . 1 . 2]" 1
204 1 11 ASP H 1 46 THR MG 4.890 . 4.890 4.418 3.741 4.902 0.012 2 0 "[ . 1 . 2]" 1
205 1 11 ASP H 1 47 ARG H 4.480 . 4.480 3.887 3.367 4.358 . 0 0 "[ . 1 . 2]" 1
206 1 11 ASP HA 1 12 LEU H 3.040 . 3.040 2.143 2.084 2.169 . 0 0 "[ . 1 . 2]" 1
207 1 11 ASP HA 1 17 LYS HA 3.560 . 3.560 2.823 2.418 3.248 . 0 0 "[ . 1 . 2]" 1
208 1 11 ASP HA 1 17 LYS QB 4.480 . 4.480 3.732 3.053 4.126 . 0 0 "[ . 1 . 2]" 1
209 1 11 ASP HA 1 17 LYS QD 5.370 . 5.370 3.653 1.445 4.615 . 0 0 "[ . 1 . 2]" 1
210 1 11 ASP HA 1 17 LYS QE 4.550 . 4.550 3.862 3.002 4.550 0.000 13 0 "[ . 1 . 2]" 1
211 1 11 ASP HA 1 17 LYS HG2 4.980 . 4.980 3.210 1.572 4.496 . 0 0 "[ . 1 . 2]" 1
212 1 11 ASP HA 1 17 LYS HG3 4.810 . 4.810 2.660 1.696 3.676 . 0 0 "[ . 1 . 2]" 1
213 1 11 ASP HB2 1 12 LEU H 3.960 . 3.960 4.354 3.557 4.580 0.620 9 6 "[ . - +1*** . *2]" 1
214 1 11 ASP HB2 1 17 LYS HA 5.500 . 5.500 5.605 4.888 6.170 0.670 14 3 "[ . *1 +. -2]" 1
215 1 11 ASP HB2 1 47 ARG HB2 5.330 . 5.330 3.949 2.788 5.010 . 0 0 "[ . 1 . 2]" 1
216 1 11 ASP HB2 1 47 ARG HB3 5.500 . 5.500 5.129 4.216 6.308 0.808 4 3 "[ +. * . - 2]" 1
217 1 11 ASP HB2 1 47 ARG QD 3.970 . 3.970 3.576 1.863 4.279 0.309 11 0 "[ . 1 . 2]" 1
218 1 11 ASP HB2 1 47 ARG QG 4.330 . 4.330 3.049 1.892 4.438 0.108 17 0 "[ . 1 . 2]" 1
219 1 11 ASP HB3 1 12 LEU H 4.570 . 4.570 3.726 3.323 4.180 . 0 0 "[ . 1 . 2]" 1
220 1 11 ASP HB3 1 47 ARG H 5.190 . 5.190 4.252 3.533 5.301 0.111 18 0 "[ . 1 . 2]" 1
221 1 11 ASP HB3 1 47 ARG HB2 4.940 . 4.940 4.111 2.863 4.968 0.028 18 0 "[ . 1 . 2]" 1
222 1 11 ASP HB3 1 47 ARG QD 4.120 . 4.120 2.889 1.706 4.006 . 0 0 "[ . 1 . 2]" 1
223 1 11 ASP HB3 1 47 ARG QG 4.640 . 4.640 2.613 1.648 4.494 . 0 0 "[ . 1 . 2]" 1
224 1 12 LEU H 1 12 LEU HB2 3.360 . 3.360 2.272 2.175 2.432 . 0 0 "[ . 1 . 2]" 1
225 1 12 LEU H 1 12 LEU HB3 3.500 . 3.500 3.535 3.467 3.607 0.107 2 0 "[ . 1 . 2]" 1
226 1 12 LEU H 1 12 LEU QD . . 4.370 2.460 2.097 3.231 . 0 0 "[ . 1 . 2]" 1
227 1 12 LEU H 1 13 GLN H 5.050 . 5.050 4.545 4.486 4.603 . 0 0 "[ . 1 . 2]" 1
228 1 12 LEU H 1 15 GLY H 4.910 . 4.910 4.440 4.078 4.868 . 0 0 "[ . 1 . 2]" 1
229 1 12 LEU H 1 16 SER H 4.780 . 4.780 4.318 3.780 4.691 . 0 0 "[ . 1 . 2]" 1
230 1 12 LEU H 1 17 LYS H 5.500 . 5.500 4.604 4.302 4.877 . 0 0 "[ . 1 . 2]" 1
231 1 12 LEU H 1 17 LYS HA 3.620 . 3.620 2.492 2.210 2.879 . 0 0 "[ . 1 . 2]" 1
232 1 12 LEU H 1 17 LYS QB 4.560 . 4.560 4.048 3.371 4.437 . 0 0 "[ . 1 . 2]" 1
233 1 12 LEU H 1 17 LYS HG3 4.800 . 4.800 3.686 3.242 4.339 . 0 0 "[ . 1 . 2]" 1
234 1 12 LEU H 1 18 VAL MG1 5.500 . 5.500 4.605 4.104 4.895 . 0 0 "[ . 1 . 2]" 1
235 1 12 LEU HA 1 12 LEU QD . . 3.050 1.792 1.681 1.942 . 0 0 "[ . 1 . 2]" 1
236 1 12 LEU HA 1 12 LEU HG 4.220 . 4.220 3.577 3.132 3.677 . 0 0 "[ . 1 . 2]" 1
237 1 12 LEU HA 1 13 GLN H 3.090 . 3.090 2.182 2.116 2.240 . 0 0 "[ . 1 . 2]" 1
238 1 12 LEU HA 1 13 GLN HA 4.350 . 4.350 4.335 4.263 4.387 0.037 18 0 "[ . 1 . 2]" 1
239 1 12 LEU HA 1 13 GLN HB2 5.190 . 5.190 4.579 4.269 5.697 0.507 19 1 "[ . 1 . +2]" 1
240 1 12 LEU HA 1 13 GLN QG 5.300 . 5.300 3.914 3.699 4.370 . 0 0 "[ . 1 . 2]" 1
241 1 12 LEU HA 1 15 GLY H 5.030 . 5.030 4.670 4.528 4.823 . 0 0 "[ . 1 . 2]" 1
242 1 12 LEU HA 1 47 ARG HA 5.500 . 5.500 5.275 4.756 5.564 0.064 5 0 "[ . 1 . 2]" 1
243 1 12 LEU HB2 1 15 GLY H 4.510 . 4.510 3.507 3.126 3.857 . 0 0 "[ . 1 . 2]" 1
244 1 12 LEU HB2 1 16 SER H 3.610 . 3.610 2.781 2.352 3.191 . 0 0 "[ . 1 . 2]" 1
245 1 12 LEU HB2 1 16 SER HA 5.450 . 5.450 4.213 3.853 4.500 . 0 0 "[ . 1 . 2]" 1
246 1 12 LEU HB2 1 16 SER HB2 4.780 . 4.780 2.782 1.959 3.696 . 0 0 "[ . 1 . 2]" 1
247 1 12 LEU HB2 1 16 SER HB3 5.270 . 5.270 4.070 3.453 4.577 . 0 0 "[ . 1 . 2]" 1
248 1 12 LEU HB2 1 17 LYS H 4.680 . 4.680 4.077 3.718 4.449 . 0 0 "[ . 1 . 2]" 1
249 1 12 LEU HB2 1 17 LYS HA 4.440 . 4.440 3.323 3.029 3.595 . 0 0 "[ . 1 . 2]" 1
250 1 12 LEU HB2 1 17 LYS QB 4.870 . 4.870 4.866 4.549 5.072 0.202 18 0 "[ . 1 . 2]" 1
251 1 12 LEU HB2 1 17 LYS HG3 5.500 . 5.500 5.217 4.548 5.620 0.120 8 0 "[ . 1 . 2]" 1
252 1 12 LEU HB3 1 14 ASP H 3.620 . 3.620 2.324 1.961 2.625 . 0 0 "[ . 1 . 2]" 1
253 1 12 LEU HB3 1 14 ASP QB 5.500 . 5.500 2.754 1.773 3.965 . 0 0 "[ . 1 . 2]" 1
254 1 12 LEU HB3 1 15 GLY H 4.620 . 4.620 3.353 3.074 3.821 . 0 0 "[ . 1 . 2]" 1
255 1 12 LEU HB3 1 16 SER HB2 5.040 . 5.040 3.581 2.680 4.826 . 0 0 "[ . 1 . 2]" 1
256 1 12 LEU HB3 1 17 LYS HA 5.120 . 5.120 4.967 4.513 5.217 0.097 1 0 "[ . 1 . 2]" 1
257 1 12 LEU QD 1 13 GLN H . . 4.120 3.005 2.613 3.398 . 0 0 "[ . 1 . 2]" 1
258 1 12 LEU QD 1 14 ASP H 5.390 . 5.390 3.695 3.390 3.956 . 0 0 "[ . 1 . 2]" 1
259 1 12 LEU QD 1 15 GLY H 5.500 . 5.500 4.604 4.398 4.810 . 0 0 "[ . 1 . 2]" 1
260 1 12 LEU QD 1 16 SER H 4.810 . 4.810 4.094 3.755 4.483 . 0 0 "[ . 1 . 2]" 1
261 1 12 LEU QD 1 16 SER HA 5.410 . 5.410 4.534 4.226 4.916 . 0 0 "[ . 1 . 2]" 1
262 1 12 LEU QD 1 16 SER HB2 4.690 . 4.690 2.947 2.208 3.516 . 0 0 "[ . 1 . 2]" 1
263 1 12 LEU QD 1 16 SER HB3 5.500 . 5.500 3.731 3.083 4.559 . 0 0 "[ . 1 . 2]" 1
264 1 12 LEU QD 1 17 LYS H 5.420 . 5.420 3.267 2.857 3.577 . 0 0 "[ . 1 . 2]" 1
265 1 12 LEU QD 1 17 LYS HA 4.870 . 4.870 2.313 1.971 3.092 . 0 0 "[ . 1 . 2]" 1
266 1 12 LEU QD 1 18 VAL H 5.110 . 5.110 2.414 2.106 3.451 . 0 0 "[ . 1 . 2]" 1
267 1 12 LEU QD 1 18 VAL HA 5.500 . 5.500 3.654 3.339 3.938 . 0 0 "[ . 1 . 2]" 1
268 1 12 LEU QD 1 18 VAL HB . . 4.390 2.309 2.012 2.868 . 0 0 "[ . 1 . 2]" 1
269 1 12 LEU QD 1 18 VAL MG1 3.620 . 3.620 2.031 1.833 2.348 . 0 0 "[ . 1 . 2]" 1
270 1 12 LEU QD 1 28 MET ME 3.090 . 3.090 2.379 1.936 2.627 . 0 0 "[ . 1 . 2]" 1
271 1 12 LEU QD 1 28 MET QG 5.500 . 5.500 4.894 3.938 5.099 . 0 0 "[ . 1 . 2]" 1
272 1 12 LEU QD 1 29 GLU H 5.500 . 5.500 4.721 4.434 4.997 . 0 0 "[ . 1 . 2]" 1
273 1 12 LEU QD 1 38 MET ME 6.000 . 6.000 4.017 3.188 4.879 . 0 0 "[ . 1 . 2]" 1
274 1 12 LEU QD 1 44 MET HA 4.920 . 4.920 2.901 2.480 3.417 . 0 0 "[ . 1 . 2]" 1
275 1 12 LEU QD 1 44 MET HB2 . . 4.590 3.050 2.718 3.209 . 0 0 "[ . 1 . 2]" 1
276 1 12 LEU QD 1 44 MET HB3 . . 3.850 1.741 1.451 2.001 . 0 0 "[ . 1 . 2]" 1
277 1 12 LEU QD 1 44 MET ME 4.050 . 4.050 3.407 2.697 3.797 . 0 0 "[ . 1 . 2]" 1
278 1 12 LEU QD 1 44 MET QG 4.960 . 4.960 2.992 2.478 3.386 . 0 0 "[ . 1 . 2]" 1
279 1 12 LEU QD 1 45 GLU H 4.380 . 4.380 2.761 2.228 3.127 . 0 0 "[ . 1 . 2]" 1
280 1 12 LEU QD 1 45 GLU HA 5.270 . 5.270 3.746 3.477 3.994 . 0 0 "[ . 1 . 2]" 1
281 1 12 LEU QD 1 46 THR H 4.660 . 4.660 3.507 3.225 3.792 . 0 0 "[ . 1 . 2]" 1
282 1 12 LEU QD 1 46 THR HB 4.730 . 4.730 3.835 3.397 4.192 . 0 0 "[ . 1 . 2]" 1
283 1 12 LEU QD 1 46 THR MG 3.430 . 3.430 2.553 2.140 2.941 . 0 0 "[ . 1 . 2]" 1
284 1 12 LEU QD 1 47 ARG H 4.700 . 4.700 4.160 3.823 4.513 . 0 0 "[ . 1 . 2]" 1
285 1 12 LEU QD 1 52 ILE MD 6.000 . 6.000 3.844 3.209 4.374 . 0 0 "[ . 1 . 2]" 1
286 1 12 LEU HG 1 14 ASP QB 5.500 . 5.500 4.189 3.075 5.368 . 0 0 "[ . 1 . 2]" 1
287 1 12 LEU HG 1 16 SER HB3 5.500 . 5.500 4.702 3.898 5.443 . 0 0 "[ . 1 . 2]" 1
288 1 12 LEU HG 1 17 LYS HA 4.690 . 4.690 4.435 2.250 4.831 0.141 7 0 "[ . 1 . 2]" 1
289 1 12 LEU HG 1 18 VAL HB 5.360 . 5.360 4.279 3.522 4.816 . 0 0 "[ . 1 . 2]" 1
290 1 12 LEU HG 1 18 VAL MG1 4.980 . 4.980 4.129 2.836 4.600 . 0 0 "[ . 1 . 2]" 1
291 1 12 LEU HG 1 28 MET ME 5.190 . 5.190 3.373 2.921 3.792 . 0 0 "[ . 1 . 2]" 1
292 1 13 GLN H 1 13 GLN HB2 3.110 . 3.110 2.423 2.185 3.577 0.467 19 0 "[ . 1 . 2]" 1
293 1 13 GLN H 1 13 GLN HE21 5.500 . 5.500 4.146 3.291 5.313 . 0 0 "[ . 1 . 2]" 1
294 1 13 GLN H 1 13 GLN QG 3.970 . 3.970 2.374 1.840 2.830 . 0 0 "[ . 1 . 2]" 1
295 1 13 GLN H 1 14 ASP H 3.670 . 3.670 2.566 2.433 2.739 . 0 0 "[ . 1 . 2]" 1
296 1 13 GLN H 1 15 GLY H 5.050 . 5.050 4.188 4.112 4.259 . 0 0 "[ . 1 . 2]" 1
297 1 13 GLN H 1 45 GLU H 5.060 . 5.060 4.348 3.918 4.791 . 0 0 "[ . 1 . 2]" 1
298 1 13 GLN H 1 46 THR H 5.500 . 5.500 5.070 4.794 5.506 0.006 3 0 "[ . 1 . 2]" 1
299 1 13 GLN H 1 46 THR MG 5.500 . 5.500 5.138 4.875 5.470 . 0 0 "[ . 1 . 2]" 1
300 1 13 GLN H 1 47 ARG H 5.000 . 5.000 4.521 3.871 5.005 0.005 11 0 "[ . 1 . 2]" 1
301 1 13 GLN HA 1 13 GLN HB3 2.970 . 2.970 2.538 2.384 2.652 . 0 0 "[ . 1 . 2]" 1
302 1 13 GLN HA 1 13 GLN QG 3.810 . 3.810 2.535 2.282 3.332 . 0 0 "[ . 1 . 2]" 1
303 1 13 GLN HA 1 14 ASP HA 4.960 . 4.960 4.780 4.687 4.843 . 0 0 "[ . 1 . 2]" 1
304 1 13 GLN HA 1 15 GLY H 4.250 . 4.250 3.615 3.292 3.899 . 0 0 "[ . 1 . 2]" 1
305 1 13 GLN HA 1 15 GLY HA2 5.320 . 5.320 4.929 4.657 5.345 0.025 16 0 "[ . 1 . 2]" 1
306 1 13 GLN HA 1 47 ARG QD 4.350 . 4.350 3.560 2.480 4.406 0.056 8 0 "[ . 1 . 2]" 1
307 1 13 GLN HB3 1 14 ASP H 3.900 . 3.900 3.903 3.743 4.237 0.337 19 0 "[ . 1 . 2]" 1
308 1 13 GLN HB3 1 14 ASP QB 5.500 . 5.500 5.155 4.924 5.652 0.152 19 0 "[ . 1 . 2]" 1
309 1 13 GLN HB3 1 15 GLY H 5.500 . 5.500 5.167 4.918 5.505 0.005 19 0 "[ . 1 . 2]" 1
310 1 13 GLN HE21 1 47 ARG HA 5.250 . 5.250 3.495 2.071 5.026 . 0 0 "[ . 1 . 2]" 1
311 1 13 GLN HE21 1 49 GLY H 5.120 . 5.120 4.015 2.690 5.722 0.602 15 1 "[ . 1 + 2]" 1
312 1 13 GLN HE21 1 49 GLY HA2 5.500 . 5.500 3.866 2.882 5.425 . 0 0 "[ . 1 . 2]" 1
313 1 13 GLN HE22 1 47 ARG HA 5.500 . 5.500 4.075 2.048 5.294 . 0 0 "[ . 1 . 2]" 1
314 1 13 GLN QG 1 14 ASP H . . 5.220 4.205 2.655 4.466 . 0 0 "[ . 1 . 2]" 1
315 1 13 GLN QG 1 47 ARG HA 4.050 . 4.050 2.660 1.813 3.922 . 0 0 "[ . 1 . 2]" 1
316 1 13 GLN QG 1 47 ARG QG 5.500 . 5.500 3.400 2.076 4.741 . 0 0 "[ . 1 . 2]" 1
317 1 14 ASP H 1 14 ASP QB . . 3.640 2.235 2.003 2.706 . 0 0 "[ . 1 . 2]" 1
318 1 14 ASP H 1 15 GLY H 2.510 . 2.510 2.522 2.378 2.573 0.063 4 0 "[ . 1 . 2]" 1
319 1 14 ASP HA 1 15 GLY HA3 4.460 . 4.460 4.499 4.373 4.533 0.073 20 0 "[ . 1 . 2]" 1
320 1 14 ASP QB 1 15 GLY H . . 5.200 3.223 2.908 3.881 . 0 0 "[ . 1 . 2]" 1
321 1 15 GLY H 1 16 SER HA 5.230 . 5.230 4.825 4.645 4.945 . 0 0 "[ . 1 . 2]" 1
322 1 15 GLY HA2 1 16 SER HA 5.050 . 5.050 4.612 4.515 4.717 . 0 0 "[ . 1 . 2]" 1
323 1 16 SER H 1 16 SER HB2 3.700 . 3.700 2.705 2.466 3.612 . 0 0 "[ . 1 . 2]" 1
324 1 16 SER H 1 16 SER HB3 3.630 . 3.630 3.571 3.081 3.685 0.055 13 0 "[ . 1 . 2]" 1
325 1 16 SER H 1 17 LYS H 4.960 . 4.960 4.464 4.317 4.575 . 0 0 "[ . 1 . 2]" 1
326 1 16 SER H 1 31 LYS H 5.500 . 5.500 5.098 4.244 5.654 0.154 9 0 "[ . 1 . 2]" 1
327 1 16 SER HA 1 17 LYS H 3.320 . 3.320 2.618 2.500 2.762 . 0 0 "[ . 1 . 2]" 1
328 1 16 SER HA 1 17 LYS HA 5.220 . 5.220 4.550 4.494 4.616 . 0 0 "[ . 1 . 2]" 1
329 1 16 SER HA 1 17 LYS QB 4.230 . 4.230 3.917 3.585 4.250 0.020 13 0 "[ . 1 . 2]" 1
330 1 16 SER HA 1 28 MET ME 5.500 . 5.500 5.421 5.054 5.655 0.155 9 0 "[ . 1 . 2]" 1
331 1 16 SER HA 1 30 ASN HA 3.720 . 3.720 2.043 1.526 2.736 . 0 0 "[ . 1 . 2]" 1
332 1 16 SER HA 1 30 ASN HB2 5.500 . 5.500 2.811 1.889 3.622 . 0 0 "[ . 1 . 2]" 1
333 1 16 SER HA 1 31 LYS H 4.630 . 4.630 2.610 1.894 3.021 . 0 0 "[ . 1 . 2]" 1
334 1 16 SER HA 1 36 MET ME 5.380 . 5.380 3.639 3.235 3.983 . 0 0 "[ . 1 . 2]" 1
335 1 16 SER HB2 1 17 LYS H 3.510 . 3.510 2.952 1.888 3.460 . 0 0 "[ . 1 . 2]" 1
336 1 16 SER HB2 1 28 MET ME 4.240 . 4.240 3.715 3.085 4.058 . 0 0 "[ . 1 . 2]" 1
337 1 16 SER HB2 1 29 GLU H 5.500 . 5.500 5.325 4.256 5.589 0.089 5 0 "[ . 1 . 2]" 1
338 1 16 SER HB2 1 30 ASN HA 4.370 . 4.370 3.844 2.771 4.275 . 0 0 "[ . 1 . 2]" 1
339 1 16 SER HB2 1 36 MET ME 4.190 . 4.190 2.869 1.692 3.367 . 0 0 "[ . 1 . 2]" 1
340 1 16 SER HB3 1 17 LYS H 3.620 . 3.620 2.301 1.942 3.342 . 0 0 "[ . 1 . 2]" 1
341 1 16 SER HB3 1 17 LYS QB 5.440 . 5.440 4.653 4.347 5.437 . 0 0 "[ . 1 . 2]" 1
342 1 16 SER HB3 1 28 MET ME 4.350 . 4.350 3.727 3.200 4.508 0.158 8 0 "[ . 1 . 2]" 1
343 1 16 SER HB3 1 29 GLU H 5.470 . 5.470 4.419 3.945 5.601 0.131 4 0 "[ . 1 . 2]" 1
344 1 16 SER HB3 1 30 ASN HA 4.750 . 4.750 2.592 2.114 3.244 . 0 0 "[ . 1 . 2]" 1
345 1 16 SER HB3 1 30 ASN HB2 5.500 . 5.500 4.264 3.191 4.757 . 0 0 "[ . 1 . 2]" 1
346 1 16 SER HB3 1 31 LYS H 4.570 . 4.570 4.546 4.116 4.999 0.429 4 0 "[ . 1 . 2]" 1
347 1 16 SER HB3 1 36 MET QB 5.500 . 5.500 4.523 3.986 5.427 . 0 0 "[ . 1 . 2]" 1
348 1 16 SER HB3 1 36 MET ME 4.050 . 4.050 1.976 1.572 2.330 . 0 0 "[ . 1 . 2]" 1
349 1 17 LYS H 1 17 LYS QB 3.580 . 3.580 2.693 2.588 2.783 . 0 0 "[ . 1 . 2]" 1
350 1 17 LYS H 1 17 LYS HG3 5.500 . 5.500 4.394 3.568 4.817 . 0 0 "[ . 1 . 2]" 1
351 1 17 LYS H 1 28 MET HA 5.410 . 5.410 5.184 4.667 5.475 0.065 9 0 "[ . 1 . 2]" 1
352 1 17 LYS H 1 28 MET ME 5.500 . 5.500 3.668 3.174 4.017 . 0 0 "[ . 1 . 2]" 1
353 1 17 LYS H 1 29 GLU H 3.900 . 3.900 3.661 3.369 3.963 0.063 12 0 "[ . 1 . 2]" 1
354 1 17 LYS H 1 29 GLU HB3 5.490 . 5.490 4.663 3.934 5.495 0.005 9 0 "[ . 1 . 2]" 1
355 1 17 LYS H 1 30 ASN H 5.500 . 5.500 4.408 3.900 4.894 . 0 0 "[ . 1 . 2]" 1
356 1 17 LYS H 1 30 ASN HA 4.830 . 4.830 2.283 1.715 2.884 . 0 0 "[ . 1 . 2]" 1
357 1 17 LYS H 1 31 LYS H 5.500 . 5.500 3.693 3.391 3.911 . 0 0 "[ . 1 . 2]" 1
358 1 17 LYS HA 1 17 LYS HG3 3.720 . 3.720 2.610 2.314 3.172 . 0 0 "[ . 1 . 2]" 1
359 1 17 LYS HA 1 18 VAL H 3.160 . 3.160 2.231 2.155 2.447 . 0 0 "[ . 1 . 2]" 1
360 1 17 LYS HA 1 18 VAL MG1 5.500 . 5.500 3.735 3.604 3.829 . 0 0 "[ . 1 . 2]" 1
361 1 17 LYS HA 1 28 MET ME 5.500 . 5.500 4.303 3.817 4.599 . 0 0 "[ . 1 . 2]" 1
362 1 17 LYS QB 1 17 LYS QD 3.260 . 3.260 2.181 2.081 2.341 . 0 0 "[ . 1 . 2]" 1
363 1 17 LYS QB 1 18 VAL HA 5.500 . 5.500 4.306 3.716 4.640 . 0 0 "[ . 1 . 2]" 1
364 1 17 LYS QB 1 29 GLU H 4.550 . 4.550 4.519 4.075 4.686 0.136 18 0 "[ . 1 . 2]" 1
365 1 17 LYS QB 1 29 GLU HB3 4.710 . 4.710 4.169 3.546 4.919 0.209 5 0 "[ . 1 . 2]" 1
366 1 17 LYS QD 1 17 LYS HG3 2.400 . 2.400 2.314 2.145 2.422 0.022 20 0 "[ . 1 . 2]" 1
367 1 17 LYS QE 1 31 LYS HA 5.160 . 5.160 3.562 1.945 5.015 . 0 0 "[ . 1 . 2]" 1
368 1 18 VAL H 1 18 VAL HB 4.090 . 4.090 3.016 2.928 3.256 . 0 0 "[ . 1 . 2]" 1
369 1 18 VAL H 1 18 VAL MG1 3.660 . 3.660 2.062 1.957 2.301 . 0 0 "[ . 1 . 2]" 1
370 1 18 VAL H 1 19 HIS H 5.280 . 5.280 4.362 4.187 4.435 . 0 0 "[ . 1 . 2]" 1
371 1 18 VAL H 1 29 GLU H 5.500 . 5.500 5.154 4.742 5.536 0.036 7 0 "[ . 1 . 2]" 1
372 1 18 VAL HA 1 18 VAL MG2 3.690 . 3.690 2.385 2.344 2.429 . 0 0 "[ . 1 . 2]" 1
373 1 18 VAL HA 1 19 HIS H 3.140 . 3.140 2.136 2.063 2.164 . 0 0 "[ . 1 . 2]" 1
374 1 18 VAL HA 1 19 HIS HD2 6.000 . 6.000 4.946 4.475 5.649 . 0 0 "[ . 1 . 2]" 1
375 1 18 VAL HA 1 27 GLY HA3 5.500 . 5.500 5.239 4.631 5.578 0.078 6 0 "[ . 1 . 2]" 1
376 1 18 VAL HA 1 28 MET HA 3.560 . 3.560 2.839 2.413 3.331 . 0 0 "[ . 1 . 2]" 1
377 1 18 VAL HA 1 28 MET ME 4.360 . 4.360 2.436 2.091 2.782 . 0 0 "[ . 1 . 2]" 1
378 1 18 VAL HA 1 28 MET QG 4.940 . 4.940 4.706 4.015 4.898 . 0 0 "[ . 1 . 2]" 1
379 1 18 VAL HA 1 29 GLU H 4.780 . 4.780 3.062 2.616 3.614 . 0 0 "[ . 1 . 2]" 1
380 1 18 VAL HB 1 19 HIS H 4.410 . 4.410 4.226 4.134 4.299 . 0 0 "[ . 1 . 2]" 1
381 1 18 VAL HB 1 28 MET HA 4.500 . 4.500 3.795 2.903 4.515 0.015 7 0 "[ . 1 . 2]" 1
382 1 18 VAL MG1 1 19 HIS H 4.980 . 4.980 4.041 3.920 4.156 . 0 0 "[ . 1 . 2]" 1
383 1 18 VAL MG1 1 27 GLY H 5.500 . 5.500 5.356 4.765 5.569 0.069 1 0 "[ . 1 . 2]" 1
384 1 18 VAL MG1 1 44 MET ME 4.320 . 4.320 3.383 2.600 4.086 . 0 0 "[ . 1 . 2]" 1
385 1 18 VAL MG1 1 52 ILE MD 4.510 . 4.510 3.394 2.955 4.259 . 0 0 "[ . 1 . 2]" 1
386 1 18 VAL MG1 1 52 ILE MG 4.220 . 4.220 4.137 3.513 4.305 0.085 16 0 "[ . 1 . 2]" 1
387 1 18 VAL MG2 1 19 HIS H 3.930 . 3.930 2.736 2.556 2.927 . 0 0 "[ . 1 . 2]" 1
388 1 18 VAL MG2 1 20 VAL H 5.370 . 5.370 3.671 3.377 4.087 . 0 0 "[ . 1 . 2]" 1
389 1 18 VAL MG2 1 20 VAL HA 5.500 . 5.500 3.586 3.202 4.194 . 0 0 "[ . 1 . 2]" 1
390 1 18 VAL MG2 1 20 VAL HB 5.350 . 5.350 4.816 4.559 5.068 . 0 0 "[ . 1 . 2]" 1
391 1 18 VAL MG2 1 20 VAL QG 6.000 . 6.000 2.319 2.067 2.868 . 0 0 "[ . 1 . 2]" 1
392 1 18 VAL MG2 1 26 MET H 5.500 . 5.500 4.833 4.562 5.540 0.040 15 0 "[ . 1 . 2]" 1
393 1 18 VAL MG2 1 26 MET HA 4.810 . 4.810 3.526 3.263 3.955 . 0 0 "[ . 1 . 2]" 1
394 1 18 VAL MG2 1 26 MET QB 4.430 . 4.430 1.919 1.765 2.550 . 0 0 "[ . 1 . 2]" 1
395 1 18 VAL MG2 1 26 MET ME 4.480 . 4.480 2.748 1.725 4.105 . 0 0 "[ . 1 . 2]" 1
396 1 18 VAL MG2 1 26 MET HG2 4.950 . 4.950 3.614 2.978 4.074 . 0 0 "[ . 1 . 2]" 1
397 1 18 VAL MG2 1 26 MET HG3 5.180 . 5.180 4.084 3.728 4.899 . 0 0 "[ . 1 . 2]" 1
398 1 18 VAL MG2 1 27 GLY H 4.400 . 4.400 3.150 2.547 3.477 . 0 0 "[ . 1 . 2]" 1
399 1 18 VAL MG2 1 28 MET H 5.500 . 5.500 4.152 3.200 5.120 . 0 0 "[ . 1 . 2]" 1
400 1 18 VAL MG2 1 28 MET HA 4.870 . 4.870 2.954 2.434 3.879 . 0 0 "[ . 1 . 2]" 1
401 1 18 VAL MG2 1 28 MET QG . . 4.730 4.182 3.024 4.520 . 0 0 "[ . 1 . 2]" 1
402 1 18 VAL MG2 1 29 GLU H 5.500 . 5.500 4.324 3.859 4.988 . 0 0 "[ . 1 . 2]" 1
403 1 18 VAL MG2 1 44 MET ME 3.380 . 3.380 2.909 2.401 3.423 0.043 9 0 "[ . 1 . 2]" 1
404 1 18 VAL MG2 1 52 ILE MD 5.500 . 5.500 4.446 3.808 5.218 . 0 0 "[ . 1 . 2]" 1
405 1 18 VAL MG2 1 52 ILE MG 4.840 . 4.840 4.225 3.608 4.688 . 0 0 "[ . 1 . 2]" 1
406 1 19 HIS H 1 19 HIS HB2 3.740 . 3.740 2.859 2.717 3.076 . 0 0 "[ . 1 . 2]" 1
407 1 19 HIS H 1 20 VAL H 5.500 . 5.500 4.154 4.105 4.292 . 0 0 "[ . 1 . 2]" 1
408 1 19 HIS H 1 20 VAL HA 5.500 . 5.500 4.784 4.680 4.858 . 0 0 "[ . 1 . 2]" 1
409 1 19 HIS H 1 27 GLY H 3.740 . 3.740 3.249 2.856 3.570 . 0 0 "[ . 1 . 2]" 1
410 1 19 HIS H 1 27 GLY HA3 5.500 . 5.500 3.753 3.180 4.321 . 0 0 "[ . 1 . 2]" 1
411 1 19 HIS H 1 28 MET HA 4.530 . 4.530 3.772 3.310 4.036 . 0 0 "[ . 1 . 2]" 1
412 1 19 HIS H 1 28 MET ME 5.500 . 5.500 3.934 3.558 4.271 . 0 0 "[ . 1 . 2]" 1
413 1 19 HIS HA 1 20 VAL H 3.180 . 3.180 2.158 2.096 2.187 . 0 0 "[ . 1 . 2]" 1
414 1 19 HIS HA 1 20 VAL HA 5.500 . 5.500 4.412 4.346 4.450 . 0 0 "[ . 1 . 2]" 1
415 1 19 HIS HA 1 20 VAL HB 5.420 . 5.420 4.958 4.825 5.606 0.186 15 0 "[ . 1 . 2]" 1
416 1 19 HIS HA 1 20 VAL QG 4.580 . 4.580 3.379 3.226 3.533 . 0 0 "[ . 1 . 2]" 1
417 1 19 HIS HB2 1 20 VAL H 4.940 . 4.940 4.207 4.040 4.305 . 0 0 "[ . 1 . 2]" 1
418 1 19 HIS HB2 1 27 GLY H 4.490 . 4.490 3.576 2.811 4.073 . 0 0 "[ . 1 . 2]" 1
419 1 19 HIS HB3 1 20 VAL H 4.410 . 4.410 3.815 3.598 3.902 . 0 0 "[ . 1 . 2]" 1
420 1 19 HIS HB3 1 21 PHE QD 6.000 . 6.000 4.696 4.308 5.786 . 0 0 "[ . 1 . 2]" 1
421 1 19 HIS HB3 1 21 PHE QE 6.000 . 6.000 3.696 3.218 4.994 . 0 0 "[ . 1 . 2]" 1
422 1 19 HIS HB3 1 21 PHE HZ 6.000 . 6.000 4.510 3.875 5.483 . 0 0 "[ . 1 . 2]" 1
423 1 19 HIS HB3 1 27 GLY H 5.500 . 5.500 4.957 4.298 5.360 . 0 0 "[ . 1 . 2]" 1
424 1 19 HIS HD2 1 21 PHE QD 6.000 . 6.000 6.130 6.045 6.265 0.265 18 0 "[ . 1 . 2]" 1
425 1 19 HIS HD2 1 21 PHE HZ 6.000 . 6.000 3.579 3.176 4.295 . 0 0 "[ . 1 . 2]" 1
426 1 19 HIS HD2 1 28 MET HA 6.000 . 6.000 5.355 4.849 5.980 . 0 0 "[ . 1 . 2]" 1
427 1 19 HIS HD2 1 29 GLU HA 6.000 . 6.000 5.633 5.347 6.006 0.006 2 0 "[ . 1 . 2]" 1
428 1 19 HIS HD2 1 29 GLU HB2 6.000 . 6.000 3.300 2.709 4.150 . 0 0 "[ . 1 . 2]" 1
429 1 19 HIS HD2 1 29 GLU HB3 4.000 . 4.000 3.358 2.497 4.551 0.551 5 1 "[ + 1 . 2]" 1
430 1 19 HIS HD2 1 29 GLU HG2 6.000 . 6.000 4.993 3.948 5.655 . 0 0 "[ . 1 . 2]" 1
431 1 19 HIS HD2 1 29 GLU HG3 6.000 . 6.000 5.076 2.994 5.866 . 0 0 "[ . 1 . 2]" 1
432 1 19 HIS HD2 1 62 LEU QD 4.000 . 4.000 2.788 1.740 3.622 . 0 0 "[ . 1 . 2]" 1
433 1 19 HIS HE1 1 29 GLU HB3 4.000 . 4.000 3.939 3.611 4.628 0.628 5 1 "[ + 1 . 2]" 1
434 1 19 HIS HE1 1 31 LYS QD 6.000 . 6.000 6.210 6.085 6.323 0.323 18 0 "[ . 1 . 2]" 1
435 1 20 VAL H 1 20 VAL HB 3.650 . 3.650 2.814 2.669 3.655 0.005 15 0 "[ . 1 . 2]" 1
436 1 20 VAL H 1 20 VAL QG 3.870 . 3.870 1.895 1.766 2.000 . 0 0 "[ . 1 . 2]" 1
437 1 20 VAL H 1 21 PHE H 5.350 . 5.350 4.464 4.370 4.583 . 0 0 "[ . 1 . 2]" 1
438 1 20 VAL HA 1 20 VAL QG 3.320 . 3.320 2.132 2.095 2.506 . 0 0 "[ . 1 . 2]" 1
439 1 20 VAL HA 1 21 PHE H 3.010 . 3.010 2.143 2.101 2.223 . 0 0 "[ . 1 . 2]" 1
440 1 20 VAL HA 1 21 PHE HB3 5.500 . 5.500 5.576 5.519 5.619 0.119 11 0 "[ . 1 . 2]" 1
441 1 20 VAL HA 1 21 PHE QD . . 4.000 4.005 3.617 4.141 0.141 18 0 "[ . 1 . 2]" 1
442 1 20 VAL HA 1 21 PHE HZ 6.000 . 6.000 5.952 5.533 6.113 0.113 5 0 "[ . 1 . 2]" 1
443 1 20 VAL HA 1 25 LYS H 5.450 . 5.450 5.482 5.277 5.579 0.129 19 0 "[ . 1 . 2]" 1
444 1 20 VAL HA 1 26 MET H 5.000 . 5.000 4.621 4.378 4.863 . 0 0 "[ . 1 . 2]" 1
445 1 20 VAL HA 1 26 MET HA 3.640 . 3.640 1.842 1.620 2.219 . 0 0 "[ . 1 . 2]" 1
446 1 20 VAL HA 1 26 MET QB 5.220 . 5.220 3.004 2.394 3.590 . 0 0 "[ . 1 . 2]" 1
447 1 20 VAL HA 1 26 MET ME 5.000 . 5.000 5.040 4.813 5.182 0.182 11 0 "[ . 1 . 2]" 1
448 1 20 VAL HA 1 26 MET HG2 3.960 . 3.960 3.003 2.253 3.271 . 0 0 "[ . 1 . 2]" 1
449 1 20 VAL HA 1 26 MET HG3 4.400 . 4.400 4.329 3.918 4.508 0.108 14 0 "[ . 1 . 2]" 1
450 1 20 VAL HA 1 27 GLY H 4.890 . 4.890 2.959 2.487 3.529 . 0 0 "[ . 1 . 2]" 1
451 1 20 VAL HB 1 21 PHE H 4.920 . 4.920 3.922 3.097 4.141 . 0 0 "[ . 1 . 2]" 1
452 1 20 VAL QG 1 21 PHE H 3.770 . 3.770 2.691 2.316 3.146 . 0 0 "[ . 1 . 2]" 1
453 1 20 VAL QG 1 21 PHE QD 6.000 . 6.000 4.483 4.239 4.625 . 0 0 "[ . 1 . 2]" 1
454 1 20 VAL QG 1 21 PHE QE 6.000 . 6.000 5.230 5.043 5.304 . 0 0 "[ . 1 . 2]" 1
455 1 20 VAL QG 1 23 ASP H 5.500 . 5.500 5.260 4.875 5.411 . 0 0 "[ . 1 . 2]" 1
456 1 20 VAL QG 1 25 LYS H 5.490 . 5.490 4.219 3.832 4.913 . 0 0 "[ . 1 . 2]" 1
457 1 20 VAL QG 1 26 MET HA 4.480 . 4.480 2.664 2.292 3.205 . 0 0 "[ . 1 . 2]" 1
458 1 20 VAL QG 1 26 MET QB 5.500 . 5.500 2.382 1.683 2.921 . 0 0 "[ . 1 . 2]" 1
459 1 20 VAL QG 1 26 MET ME 6.000 . 6.000 3.072 2.541 3.524 . 0 0 "[ . 1 . 2]" 1
460 1 20 VAL QG 1 26 MET HG2 3.890 . 3.890 1.381 1.148 1.811 . 0 0 "[ . 1 . 2]" 1
461 1 20 VAL QG 1 26 MET HG3 4.220 . 4.220 2.825 2.479 3.222 . 0 0 "[ . 1 . 2]" 1
462 1 20 VAL QG 1 27 GLY H 5.500 . 5.500 3.798 3.502 4.195 . 0 0 "[ . 1 . 2]" 1
463 1 20 VAL QG 1 28 MET ME 6.000 . 6.000 4.824 4.519 5.631 . 0 0 "[ . 1 . 2]" 1
464 1 20 VAL QG 1 52 ILE MD 6.000 . 6.000 3.851 3.559 4.299 . 0 0 "[ . 1 . 2]" 1
465 1 20 VAL QG 1 52 ILE MG 6.000 . 6.000 4.211 3.615 4.641 . 0 0 "[ . 1 . 2]" 1
466 1 21 PHE H 1 21 PHE HB2 3.950 . 3.950 2.610 2.517 2.695 . 0 0 "[ . 1 . 2]" 1
467 1 21 PHE H 1 21 PHE QD 3.830 . 3.830 2.819 2.481 3.100 . 0 0 "[ . 1 . 2]" 1
468 1 21 PHE H 1 22 LYS H 5.500 . 5.500 4.516 4.450 4.558 . 0 0 "[ . 1 . 2]" 1
469 1 21 PHE H 1 24 GLY H 5.110 . 5.110 4.208 3.921 4.754 . 0 0 "[ . 1 . 2]" 1
470 1 21 PHE H 1 25 LYS H 4.820 . 4.820 3.938 3.600 4.314 . 0 0 "[ . 1 . 2]" 1
471 1 21 PHE H 1 26 MET HA 4.340 . 4.340 2.708 2.418 3.082 . 0 0 "[ . 1 . 2]" 1
472 1 21 PHE H 1 26 MET HG2 5.190 . 5.190 4.143 3.437 4.714 . 0 0 "[ . 1 . 2]" 1
473 1 21 PHE H 1 26 MET HG3 5.500 . 5.500 5.151 4.707 5.472 . 0 0 "[ . 1 . 2]" 1
474 1 21 PHE HA 1 21 PHE QD 4.460 . 4.460 2.653 2.489 2.899 . 0 0 "[ . 1 . 2]" 1
475 1 21 PHE HA 1 22 LYS QB 5.500 . 5.500 4.602 4.380 4.857 . 0 0 "[ . 1 . 2]" 1
476 1 21 PHE HA 1 23 ASP H 5.050 . 5.050 3.965 3.545 4.519 . 0 0 "[ . 1 . 2]" 1
477 1 21 PHE HB2 1 22 LYS H 3.620 . 3.620 3.406 3.073 3.748 0.128 14 0 "[ . 1 . 2]" 1
478 1 21 PHE HB2 1 22 LYS HA 5.210 . 5.210 5.059 4.882 5.315 0.105 10 0 "[ . 1 . 2]" 1
479 1 21 PHE HB2 1 22 LYS QB 4.850 . 4.850 4.999 4.856 5.269 0.419 14 0 "[ . 1 . 2]" 1
480 1 21 PHE HB2 1 23 ASP H 3.750 . 3.750 2.627 2.230 3.181 . 0 0 "[ . 1 . 2]" 1
481 1 21 PHE HB2 1 24 GLY H 5.050 . 5.050 3.709 3.047 4.334 . 0 0 "[ . 1 . 2]" 1
482 1 21 PHE HB2 1 25 LYS H 4.650 . 4.650 3.553 2.639 4.181 . 0 0 "[ . 1 . 2]" 1
483 1 21 PHE HB3 1 22 LYS H 4.160 . 4.160 2.418 2.072 2.824 . 0 0 "[ . 1 . 2]" 1
484 1 21 PHE HB3 1 22 LYS HA 5.500 . 5.500 4.866 4.702 4.954 . 0 0 "[ . 1 . 2]" 1
485 1 21 PHE HB3 1 22 LYS QB 5.220 . 5.220 4.186 3.997 4.418 . 0 0 "[ . 1 . 2]" 1
486 1 21 PHE QD 1 22 LYS H 5.080 . 5.080 3.925 3.558 4.139 . 0 0 "[ . 1 . 2]" 1
487 1 21 PHE QD 1 23 ASP H 5.460 . 5.460 4.496 4.202 5.003 . 0 0 "[ . 1 . 2]" 1
488 1 21 PHE QD 1 26 MET HA 3.500 . 3.500 3.438 3.081 3.581 0.081 18 0 "[ . 1 . 2]" 1
489 1 21 PHE QD 1 62 LEU QD 6.000 . 6.000 4.475 3.656 5.260 . 0 0 "[ . 1 . 2]" 1
490 1 21 PHE QE 1 26 MET H 5.500 . 5.500 5.123 4.272 5.596 0.096 9 0 "[ . 1 . 2]" 1
491 1 21 PHE QE 1 26 MET HA 4.580 . 4.580 4.052 3.433 4.380 . 0 0 "[ . 1 . 2]" 1
492 1 21 PHE QE 1 27 GLY H 4.920 . 4.920 2.985 2.608 3.692 . 0 0 "[ . 1 . 2]" 1
493 1 21 PHE QE 1 62 LEU QD 6.000 . 6.000 2.744 1.861 3.628 . 0 0 "[ . 1 . 2]" 1
494 1 21 PHE HZ 1 62 LEU HA 6.000 . 6.000 4.248 2.794 6.049 0.049 2 0 "[ . 1 . 2]" 1
495 1 21 PHE HZ 1 62 LEU QD 6.000 . 6.000 2.288 1.726 2.899 . 0 0 "[ . 1 . 2]" 1
496 1 22 LYS H 1 22 LYS QB 3.350 . 3.350 2.408 2.285 2.579 . 0 0 "[ . 1 . 2]" 1
497 1 22 LYS H 1 22 LYS HG2 4.220 . 4.220 3.518 2.985 3.942 . 0 0 "[ . 1 . 2]" 1
498 1 22 LYS H 1 23 ASP H 3.830 . 3.830 2.633 2.466 2.787 . 0 0 "[ . 1 . 2]" 1
499 1 22 LYS H 1 24 GLY H 5.360 . 5.360 4.350 4.156 4.503 . 0 0 "[ . 1 . 2]" 1
500 1 22 LYS HA 1 22 LYS QD 4.460 . 4.460 4.041 3.370 4.234 . 0 0 "[ . 1 . 2]" 1
501 1 22 LYS HA 1 22 LYS QE 5.500 . 5.500 4.571 4.308 4.972 . 0 0 "[ . 1 . 2]" 1
502 1 22 LYS HA 1 22 LYS HG3 3.590 . 3.590 2.936 2.468 3.276 . 0 0 "[ . 1 . 2]" 1
503 1 22 LYS HA 1 24 GLY H 4.330 . 4.330 3.525 3.212 3.859 . 0 0 "[ . 1 . 2]" 1
504 1 22 LYS QB 1 22 LYS QE 3.920 . 3.920 2.800 1.894 3.638 . 0 0 "[ . 1 . 2]" 1
505 1 22 LYS QB 1 23 ASP H 3.620 . 3.620 3.166 2.835 3.415 . 0 0 "[ . 1 . 2]" 1
506 1 22 LYS QB 1 24 GLY H 5.420 . 5.420 4.584 4.363 4.748 . 0 0 "[ . 1 . 2]" 1
507 1 22 LYS HG3 1 23 ASP H 5.250 . 5.250 4.513 4.216 4.979 . 0 0 "[ . 1 . 2]" 1
508 1 23 ASP H 1 23 ASP HB2 3.630 . 3.630 2.540 2.209 2.759 . 0 0 "[ . 1 . 2]" 1
509 1 23 ASP H 1 23 ASP HB3 3.630 . 3.630 2.811 2.325 3.601 . 0 0 "[ . 1 . 2]" 1
510 1 23 ASP H 1 24 GLY H 3.340 . 3.340 2.516 2.255 2.715 . 0 0 "[ . 1 . 2]" 1
511 1 23 ASP H 1 24 GLY HA2 5.130 . 5.130 4.876 4.636 5.073 . 0 0 "[ . 1 . 2]" 1
512 1 23 ASP H 1 25 LYS H 4.410 . 4.410 3.691 3.263 4.122 . 0 0 "[ . 1 . 2]" 1
513 1 23 ASP HA 1 23 ASP HB2 2.890 . 2.890 2.629 2.381 3.030 0.140 16 0 "[ . 1 . 2]" 1
514 1 23 ASP HA 1 24 GLY HA2 5.170 . 5.170 5.067 4.965 5.154 . 0 0 "[ . 1 . 2]" 1
515 1 23 ASP HA 1 24 GLY HA3 4.750 . 4.750 4.512 4.447 4.558 . 0 0 "[ . 1 . 2]" 1
516 1 23 ASP HA 1 25 LYS H 5.490 . 5.490 4.442 4.051 4.811 . 0 0 "[ . 1 . 2]" 1
517 1 23 ASP HB2 1 24 GLY H 4.510 . 4.510 3.875 3.047 4.266 . 0 0 "[ . 1 . 2]" 1
518 1 23 ASP HB2 1 25 LYS H 4.610 . 4.610 3.823 2.227 4.639 0.029 14 0 "[ . 1 . 2]" 1
519 1 23 ASP HB3 1 24 GLY H 5.340 . 5.340 3.384 2.928 4.292 . 0 0 "[ . 1 . 2]" 1
520 1 23 ASP HB3 1 25 LYS H 5.500 . 5.500 2.890 2.519 3.887 . 0 0 "[ . 1 . 2]" 1
521 1 23 ASP HB3 1 25 LYS HA 5.500 . 5.500 5.464 5.067 6.129 0.629 10 1 "[ . + . 2]" 1
522 1 24 GLY H 1 25 LYS H 3.520 . 3.520 2.315 1.992 2.489 . 0 0 "[ . 1 . 2]" 1
523 1 24 GLY H 1 25 LYS HA 5.340 . 5.340 4.868 4.722 5.097 . 0 0 "[ . 1 . 2]" 1
524 1 24 GLY H 1 25 LYS QB 5.490 . 5.490 4.660 4.272 5.091 . 0 0 "[ . 1 . 2]" 1
525 1 24 GLY HA2 1 25 LYS HA 5.500 . 5.500 4.542 4.442 4.651 . 0 0 "[ . 1 . 2]" 1
526 1 25 LYS H 1 25 LYS QB 3.340 . 3.340 2.612 2.254 3.112 . 0 0 "[ . 1 . 2]" 1
527 1 25 LYS H 1 25 LYS QD 4.830 . 4.830 3.731 2.075 4.787 . 0 0 "[ . 1 . 2]" 1
528 1 25 LYS H 1 25 LYS HG2 3.680 . 3.680 3.433 2.080 4.218 0.538 11 3 "[ . 1+ .* -2]" 1
529 1 25 LYS H 1 25 LYS HG3 4.160 . 4.160 3.138 2.053 4.157 . 0 0 "[ . 1 . 2]" 1
530 1 25 LYS H 1 26 MET H 5.460 . 5.460 4.471 4.356 4.580 . 0 0 "[ . 1 . 2]" 1
531 1 25 LYS HA 1 25 LYS QD 3.960 . 3.960 3.498 1.723 4.178 0.218 2 0 "[ . 1 . 2]" 1
532 1 25 LYS HA 1 25 LYS QE 5.480 . 5.480 4.722 3.543 5.605 0.125 20 0 "[ . 1 . 2]" 1
533 1 25 LYS HA 1 25 LYS HG2 3.970 . 3.970 3.091 2.364 4.170 0.200 5 0 "[ . 1 . 2]" 1
534 1 25 LYS HA 1 25 LYS HG3 3.650 . 3.650 3.249 2.333 3.819 0.169 20 0 "[ . 1 . 2]" 1
535 1 25 LYS HA 1 26 MET H 3.210 . 3.210 2.490 2.302 2.690 . 0 0 "[ . 1 . 2]" 1
536 1 25 LYS HA 1 26 MET QB 5.450 . 5.450 4.508 4.306 4.758 . 0 0 "[ . 1 . 2]" 1
537 1 25 LYS HA 1 26 MET HG3 4.540 . 4.540 3.215 2.954 3.652 . 0 0 "[ . 1 . 2]" 1
538 1 25 LYS HA 1 58 GLU QG 4.970 . 4.970 3.947 2.390 4.673 . 0 0 "[ . 1 . 2]" 1
539 1 25 LYS QB 1 26 MET H . . 3.150 2.261 1.939 2.637 . 0 0 "[ . 1 . 2]" 1
540 1 25 LYS QB 1 26 MET HG3 4.550 . 4.550 4.348 4.027 4.494 . 0 0 "[ . 1 . 2]" 1
541 1 25 LYS QB 1 61 ARG HG3 5.500 . 5.500 4.777 2.676 5.456 . 0 0 "[ . 1 . 2]" 1
542 1 25 LYS QD 1 26 MET H 5.500 . 5.500 4.108 2.692 4.839 . 0 0 "[ . 1 . 2]" 1
543 1 25 LYS HG3 1 26 MET H 5.320 . 5.320 4.490 3.324 5.094 . 0 0 "[ . 1 . 2]" 1
544 1 26 MET H 1 26 MET HG2 4.610 . 4.610 3.539 2.983 4.045 . 0 0 "[ . 1 . 2]" 1
545 1 26 MET H 1 26 MET HG3 4.190 . 4.190 2.592 2.210 3.008 . 0 0 "[ . 1 . 2]" 1
546 1 26 MET H 1 27 GLY H 5.500 . 5.500 4.346 4.119 4.499 . 0 0 "[ . 1 . 2]" 1
547 1 26 MET H 1 54 MET ME 5.390 . 5.390 4.481 3.537 5.498 0.108 6 0 "[ . 1 . 2]" 1
548 1 26 MET HA 1 26 MET HG2 3.680 . 3.680 2.690 2.500 2.898 . 0 0 "[ . 1 . 2]" 1
549 1 26 MET HA 1 26 MET HG3 4.230 . 4.230 3.333 2.895 3.593 . 0 0 "[ . 1 . 2]" 1
550 1 26 MET HA 1 27 GLY H 3.330 . 3.330 2.231 2.116 2.533 . 0 0 "[ . 1 . 2]" 1
551 1 26 MET HA 1 27 GLY HA2 5.070 . 5.070 4.395 4.336 4.537 . 0 0 "[ . 1 . 2]" 1
552 1 26 MET HA 1 27 GLY HA3 5.380 . 5.380 4.356 4.320 4.413 . 0 0 "[ . 1 . 2]" 1
553 1 26 MET QB 1 27 GLY H 3.980 . 3.980 2.894 2.109 3.348 . 0 0 "[ . 1 . 2]" 1
554 1 26 MET QB 1 27 GLY HA3 5.500 . 5.500 4.677 4.219 4.940 . 0 0 "[ . 1 . 2]" 1
555 1 26 MET QB 1 54 MET ME 4.720 . 4.720 3.128 2.000 4.352 . 0 0 "[ . 1 . 2]" 1
556 1 26 MET QB 1 58 GLU QB 5.400 . 5.400 3.343 2.440 4.210 . 0 0 "[ . 1 . 2]" 1
557 1 26 MET ME 1 26 MET HG3 3.110 . 3.110 2.532 2.346 3.339 0.229 15 0 "[ . 1 . 2]" 1
558 1 26 MET ME 1 44 MET ME 6.000 . 6.000 2.432 1.805 3.509 . 0 0 "[ . 1 . 2]" 1
559 1 26 MET ME 1 52 ILE MD 4.520 . 4.520 3.394 2.861 3.971 . 0 0 "[ . 1 . 2]" 1
560 1 26 MET ME 1 52 ILE MG 3.080 . 3.080 2.057 1.697 2.507 . 0 0 "[ . 1 . 2]" 1
561 1 26 MET ME 1 54 MET HA 4.180 . 4.180 3.693 3.037 4.330 0.150 13 0 "[ . 1 . 2]" 1
562 1 26 MET ME 1 54 MET ME 4.760 . 4.760 3.792 2.005 4.905 0.145 19 0 "[ . 1 . 2]" 1
563 1 26 MET ME 1 58 GLU HA 4.840 . 4.840 4.413 3.288 4.860 0.020 9 0 "[ . 1 . 2]" 1
564 1 26 MET ME 1 58 GLU QB 3.650 . 3.650 2.505 1.875 3.129 . 0 0 "[ . 1 . 2]" 1
565 1 26 MET ME 1 58 GLU QG 3.300 . 3.300 2.742 1.554 3.297 . 0 0 "[ . 1 . 2]" 1
566 1 26 MET HG2 1 27 GLY H 5.050 . 5.050 4.543 4.127 4.920 . 0 0 "[ . 1 . 2]" 1
567 1 26 MET HG3 1 27 GLY H 5.500 . 5.500 5.097 4.728 5.289 . 0 0 "[ . 1 . 2]" 1
568 1 26 MET HG3 1 54 MET ME 5.500 . 5.500 4.838 3.710 5.643 0.143 6 0 "[ . 1 . 2]" 1
569 1 26 MET HG3 1 58 GLU QB 5.500 . 5.500 3.068 1.830 4.429 . 0 0 "[ . 1 . 2]" 1
570 1 27 GLY H 1 62 LEU QD 5.500 . 5.500 4.133 3.628 4.706 . 0 0 "[ . 1 . 2]" 1
571 1 27 GLY HA2 1 28 MET H 3.490 . 3.490 2.156 2.079 2.241 . 0 0 "[ . 1 . 2]" 1
572 1 27 GLY HA2 1 54 MET ME 4.670 . 4.670 4.209 3.817 4.485 . 0 0 "[ . 1 . 2]" 1
573 1 27 GLY HA2 1 62 LEU QD 5.500 . 5.500 2.852 2.148 3.712 . 0 0 "[ . 1 . 2]" 1
574 1 27 GLY HA3 1 54 MET ME 5.320 . 5.320 5.386 4.821 5.588 0.268 12 0 "[ . 1 . 2]" 1
575 1 27 GLY HA3 1 62 LEU QD 4.770 . 4.770 2.311 1.609 3.056 . 0 0 "[ . 1 . 2]" 1
576 1 28 MET H 1 28 MET HB2 4.020 . 4.020 2.561 2.238 2.904 . 0 0 "[ . 1 . 2]" 1
577 1 28 MET H 1 28 MET ME 5.500 . 5.500 4.044 3.719 4.408 . 0 0 "[ . 1 . 2]" 1
578 1 28 MET H 1 28 MET QG 4.510 . 4.510 3.681 2.348 4.071 . 0 0 "[ . 1 . 2]" 1
579 1 28 MET H 1 54 MET ME 5.130 . 5.130 3.287 2.652 4.026 . 0 0 "[ . 1 . 2]" 1
580 1 28 MET H 1 62 LEU HB2 5.500 . 5.500 3.289 1.695 5.406 . 0 0 "[ . 1 . 2]" 1
581 1 28 MET H 1 62 LEU HB3 5.500 . 5.500 4.601 2.618 5.554 0.054 8 0 "[ . 1 . 2]" 1
582 1 28 MET H 1 62 LEU QD 5.410 . 5.410 3.122 2.309 4.183 . 0 0 "[ . 1 . 2]" 1
583 1 28 MET HA 1 29 GLU H 3.310 . 3.310 2.101 2.030 2.188 . 0 0 "[ . 1 . 2]" 1
584 1 28 MET HA 1 36 MET ME 5.460 . 5.460 3.650 2.859 4.223 . 0 0 "[ . 1 . 2]" 1
585 1 28 MET HA 1 54 MET ME 5.160 . 5.160 3.732 2.917 4.787 . 0 0 "[ . 1 . 2]" 1
586 1 28 MET HB2 1 29 GLU H 5.060 . 5.060 4.320 4.064 4.595 . 0 0 "[ . 1 . 2]" 1
587 1 28 MET HB2 1 54 MET ME 2.930 . 2.930 2.080 1.230 3.196 0.266 17 0 "[ . 1 . 2]" 1
588 1 28 MET ME 1 29 GLU H 5.020 . 5.020 2.534 2.031 3.436 . 0 0 "[ . 1 . 2]" 1
589 1 28 MET ME 1 36 MET ME 2.710 . 2.710 2.747 2.505 2.961 0.251 10 0 "[ . 1 . 2]" 1
590 1 28 MET ME 1 38 MET ME 6.000 . 6.000 3.554 2.425 4.136 . 0 0 "[ . 1 . 2]" 1
591 1 28 MET ME 1 44 MET HA 5.500 . 5.500 5.597 5.398 5.764 0.264 12 0 "[ . 1 . 2]" 1
592 1 28 MET QG 1 29 GLU H 5.500 . 5.500 3.386 2.510 4.451 . 0 0 "[ . 1 . 2]" 1
593 1 28 MET QG 1 38 MET HB3 4.670 . 4.670 2.238 1.480 3.735 . 0 0 "[ . 1 . 2]" 1
594 1 28 MET QG 1 54 MET ME 4.330 . 4.330 2.691 1.418 3.878 . 0 0 "[ . 1 . 2]" 1
595 1 29 GLU H 1 29 GLU HB2 4.050 . 4.050 3.190 2.650 3.554 . 0 0 "[ . 1 . 2]" 1
596 1 29 GLU H 1 29 GLU HG2 5.500 . 5.500 4.649 4.056 5.196 . 0 0 "[ . 1 . 2]" 1
597 1 29 GLU H 1 30 ASN H 5.500 . 5.500 4.277 3.895 4.413 . 0 0 "[ . 1 . 2]" 1
598 1 29 GLU H 1 36 MET ME 4.370 . 4.370 2.931 2.551 3.353 . 0 0 "[ . 1 . 2]" 1
599 1 29 GLU HA 1 29 GLU HG3 4.220 . 4.220 2.737 2.303 3.605 . 0 0 "[ . 1 . 2]" 1
600 1 29 GLU HA 1 30 ASN H 3.200 . 3.200 2.420 2.163 2.577 . 0 0 "[ . 1 . 2]" 1
601 1 29 GLU HA 1 30 ASN HB3 5.500 . 5.500 4.700 4.277 4.857 . 0 0 "[ . 1 . 2]" 1
602 1 29 GLU HA 1 33 GLY QA 5.500 . 5.500 5.035 4.697 5.345 . 0 0 "[ . 1 . 2]" 1
603 1 29 GLU HA 1 36 MET H 4.230 . 4.230 3.093 2.094 4.274 0.044 3 0 "[ . 1 . 2]" 1
604 1 29 GLU HA 1 36 MET HG2 5.080 . 5.080 4.493 1.713 5.266 0.186 15 0 "[ . 1 . 2]" 1
605 1 29 GLU HA 1 36 MET HG3 5.120 . 5.120 4.254 2.291 5.196 0.076 4 0 "[ . 1 . 2]" 1
606 1 29 GLU HA 1 62 LEU QD 5.190 . 5.190 3.896 3.131 4.568 . 0 0 "[ . 1 . 2]" 1
607 1 29 GLU HB2 1 30 ASN H 4.730 . 4.730 4.028 3.521 4.325 . 0 0 "[ . 1 . 2]" 1
608 1 29 GLU HB2 1 33 GLY H 5.500 . 5.500 5.508 3.867 5.737 0.237 2 0 "[ . 1 . 2]" 1
609 1 29 GLU HB2 1 33 GLY QA 4.120 . 4.120 4.204 3.096 4.387 0.267 17 0 "[ . 1 . 2]" 1
610 1 29 GLU HB3 1 30 ASN H 4.550 . 4.550 3.541 2.240 4.467 . 0 0 "[ . 1 . 2]" 1
611 1 29 GLU HB3 1 36 MET ME 4.520 . 4.520 4.514 4.289 4.696 0.176 10 0 "[ . 1 . 2]" 1
612 1 29 GLU HB3 1 62 LEU QD 5.500 . 5.500 3.725 2.376 4.410 . 0 0 "[ . 1 . 2]" 1
613 1 29 GLU HG2 1 30 ASN H 4.720 . 4.720 2.879 1.943 4.377 . 0 0 "[ . 1 . 2]" 1
614 1 29 GLU HG2 1 33 GLY H 4.840 . 4.840 3.306 2.655 5.467 0.627 20 1 "[ . 1 . +]" 1
615 1 29 GLU HG2 1 33 GLY QA 4.030 . 4.030 2.451 1.615 3.696 . 0 0 "[ . 1 . 2]" 1
616 1 29 GLU HG2 1 62 LEU QD 5.500 . 5.500 4.139 2.470 5.125 . 0 0 "[ . 1 . 2]" 1
617 1 29 GLU HG3 1 30 ASN H 4.900 . 4.900 3.016 1.617 4.718 . 0 0 "[ . 1 . 2]" 1
618 1 29 GLU HG3 1 33 GLY H 5.380 . 5.380 4.065 2.663 5.595 0.214 5 0 "[ . 1 . 2]" 1
619 1 29 GLU HG3 1 33 GLY QA 4.040 . 4.040 2.930 1.903 4.078 0.038 18 0 "[ . 1 . 2]" 1
620 1 29 GLU HG3 1 36 MET H 5.420 . 5.420 3.898 2.378 5.297 . 0 0 "[ . 1 . 2]" 1
621 1 29 GLU HG3 1 62 LEU QD 5.500 . 5.500 3.645 2.317 5.444 . 0 0 "[ . 1 . 2]" 1
622 1 30 ASN H 1 30 ASN HB3 4.050 . 4.050 2.735 2.363 3.042 . 0 0 "[ . 1 . 2]" 1
623 1 30 ASN H 1 31 LYS H 5.500 . 5.500 4.560 4.483 4.617 . 0 0 "[ . 1 . 2]" 1
624 1 30 ASN H 1 32 PHE H 5.500 . 5.500 4.565 4.215 4.968 . 0 0 "[ . 1 . 2]" 1
625 1 30 ASN H 1 33 GLY H 5.010 . 5.010 3.864 3.403 4.807 . 0 0 "[ . 1 . 2]" 1
626 1 30 ASN H 1 34 LYS H 4.150 . 4.150 3.512 3.071 4.222 0.072 2 0 "[ . 1 . 2]" 1
627 1 30 ASN H 1 36 MET QB 4.700 . 4.700 2.702 2.165 4.281 . 0 0 "[ . 1 . 2]" 1
628 1 30 ASN HA 1 31 LYS H 3.390 . 3.390 2.502 2.206 2.666 . 0 0 "[ . 1 . 2]" 1
629 1 30 ASN HA 1 32 PHE H 4.990 . 4.990 4.182 3.944 4.358 . 0 0 "[ . 1 . 2]" 1
630 1 30 ASN HA 1 36 MET ME 4.520 . 4.520 3.031 2.692 3.314 . 0 0 "[ . 1 . 2]" 1
631 1 30 ASN HB2 1 31 LYS H 3.240 . 3.240 2.418 2.126 2.939 . 0 0 "[ . 1 . 2]" 1
632 1 30 ASN HB2 1 31 LYS HA 5.310 . 5.310 4.931 4.779 5.101 . 0 0 "[ . 1 . 2]" 1
633 1 30 ASN HB2 1 31 LYS QG 5.370 . 5.370 4.058 3.242 4.525 . 0 0 "[ . 1 . 2]" 1
634 1 30 ASN HB2 1 32 PHE H 3.710 . 3.710 3.241 2.767 3.692 . 0 0 "[ . 1 . 2]" 1
635 1 30 ASN HB2 1 36 MET ME 4.250 . 4.250 4.309 3.978 4.436 0.186 17 0 "[ . 1 . 2]" 1
636 1 30 ASN HB3 1 31 LYS H 3.750 . 3.750 3.791 3.636 3.932 0.182 16 0 "[ . 1 . 2]" 1
637 1 30 ASN HB3 1 32 PHE H 5.120 . 5.120 4.424 4.181 4.750 . 0 0 "[ . 1 . 2]" 1
638 1 30 ASN HB3 1 34 LYS H 5.500 . 5.500 4.755 4.231 5.332 . 0 0 "[ . 1 . 2]" 1
639 1 30 ASN HB3 1 36 MET QB 4.350 . 4.350 3.068 2.134 4.270 . 0 0 "[ . 1 . 2]" 1
640 1 30 ASN HB3 1 36 MET ME 4.030 . 4.030 3.266 2.861 3.700 . 0 0 "[ . 1 . 2]" 1
641 1 30 ASN HB3 1 36 MET HG2 5.160 . 5.160 4.427 3.357 5.253 0.093 5 0 "[ . 1 . 2]" 1
642 1 30 ASN HB3 1 36 MET HG3 4.920 . 4.920 3.605 2.111 5.225 0.305 19 0 "[ . 1 . 2]" 1
643 1 30 ASN HD21 1 31 LYS H 5.160 . 5.160 4.744 3.257 5.248 0.088 10 0 "[ . 1 . 2]" 1
644 1 30 ASN HD21 1 32 PHE H 5.500 . 5.500 4.116 1.909 4.832 . 0 0 "[ . 1 . 2]" 1
645 1 30 ASN HD21 1 32 PHE QD 5.010 . 5.010 3.716 1.367 5.045 0.035 3 0 "[ . 1 . 2]" 1
646 1 30 ASN HD21 1 33 GLY H 5.270 . 5.270 4.592 1.959 5.394 0.124 7 0 "[ . 1 . 2]" 1
647 1 30 ASN HD21 1 34 LYS H 4.860 . 4.860 3.726 2.141 4.564 . 0 0 "[ . 1 . 2]" 1
648 1 30 ASN HD21 1 34 LYS HB2 4.750 . 4.750 3.832 2.743 4.847 0.097 2 0 "[ . 1 . 2]" 1
649 1 30 ASN HD21 1 34 LYS HB3 4.980 . 4.980 3.587 2.874 4.809 . 0 0 "[ . 1 . 2]" 1
650 1 30 ASN HD22 1 32 PHE H 4.520 . 4.520 3.942 2.894 4.486 . 0 0 "[ . 1 . 2]" 1
651 1 30 ASN HD22 1 32 PHE HB2 4.600 . 4.600 2.956 1.978 3.658 . 0 0 "[ . 1 . 2]" 1
652 1 30 ASN HD22 1 32 PHE HB3 5.150 . 5.150 4.503 3.636 5.176 0.026 3 0 "[ . 1 . 2]" 1
653 1 30 ASN HD22 1 32 PHE QD 4.290 . 4.290 3.388 2.196 4.313 0.023 11 0 "[ . 1 . 2]" 1
654 1 30 ASN HD22 1 34 LYS H 5.250 . 5.250 2.731 1.540 3.490 . 0 0 "[ . 1 . 2]" 1
655 1 30 ASN HD22 1 34 LYS HB2 4.000 . 4.000 2.251 1.242 3.171 . 0 0 "[ . 1 . 2]" 1
656 1 30 ASN HD22 1 34 LYS HB3 4.530 . 4.530 2.289 1.447 3.334 . 0 0 "[ . 1 . 2]" 1
657 1 30 ASN HD22 1 34 LYS QD 5.500 . 5.500 4.278 2.715 5.521 0.021 9 0 "[ . 1 . 2]" 1
658 1 30 ASN HD22 1 34 LYS HG2 5.500 . 5.500 3.632 2.377 4.999 . 0 0 "[ . 1 . 2]" 1
659 1 30 ASN HD22 1 34 LYS HG3 5.500 . 5.500 4.181 2.811 5.445 . 0 0 "[ . 1 . 2]" 1
660 1 31 LYS H 1 31 LYS HB2 3.810 . 3.810 3.591 3.488 3.649 . 0 0 "[ . 1 . 2]" 1
661 1 31 LYS H 1 31 LYS HB3 3.270 . 3.270 2.501 2.173 2.856 . 0 0 "[ . 1 . 2]" 1
662 1 31 LYS H 1 31 LYS QD 4.680 . 4.680 2.915 1.423 4.361 . 0 0 "[ . 1 . 2]" 1
663 1 31 LYS H 1 31 LYS QG 3.580 . 3.580 2.659 1.695 3.222 . 0 0 "[ . 1 . 2]" 1
664 1 31 LYS H 1 32 PHE H 3.820 . 3.820 2.701 2.548 2.883 . 0 0 "[ . 1 . 2]" 1
665 1 31 LYS H 1 33 GLY H 5.020 . 5.020 4.298 4.115 4.543 . 0 0 "[ . 1 . 2]" 1
666 1 31 LYS HA 1 31 LYS HB2 2.860 . 2.860 2.407 2.276 2.600 . 0 0 "[ . 1 . 2]" 1
667 1 31 LYS HA 1 31 LYS HB3 2.960 . 2.960 2.476 2.284 2.658 . 0 0 "[ . 1 . 2]" 1
668 1 31 LYS HA 1 31 LYS QD 4.030 . 4.030 3.580 3.325 3.758 . 0 0 "[ . 1 . 2]" 1
669 1 31 LYS HA 1 31 LYS QE 5.440 . 5.440 5.027 4.310 5.479 0.039 7 0 "[ . 1 . 2]" 1
670 1 31 LYS HA 1 32 PHE QD 5.500 . 5.500 5.455 5.207 5.581 0.081 12 0 "[ . 1 . 2]" 1
671 1 31 LYS HB2 1 32 PHE H 4.890 . 4.890 4.194 3.838 4.415 . 0 0 "[ . 1 . 2]" 1
672 1 31 LYS HB3 1 31 LYS QD 3.460 . 3.460 2.815 2.084 3.408 . 0 0 "[ . 1 . 2]" 1
673 1 31 LYS HB3 1 31 LYS QE 4.940 . 4.940 3.657 2.219 4.575 . 0 0 "[ . 1 . 2]" 1
674 1 31 LYS HB3 1 32 PHE H 4.680 . 4.680 4.191 3.980 4.361 . 0 0 "[ . 1 . 2]" 1
675 1 31 LYS QD 1 32 PHE H 5.270 . 5.270 3.172 1.920 3.837 . 0 0 "[ . 1 . 2]" 1
676 1 31 LYS QD 1 32 PHE HB3 5.020 . 5.020 4.931 4.208 5.951 0.931 4 4 "[ * +.* - . 2]" 1
677 1 31 LYS QD 1 32 PHE QD 4.000 . 4.000 3.165 2.791 3.659 . 0 0 "[ . 1 . 2]" 1
678 1 31 LYS QD 1 32 PHE QE 4.000 . 4.000 3.083 2.667 3.634 . 0 0 "[ . 1 . 2]" 1
679 1 31 LYS QD 1 32 PHE HZ . . 4.000 3.801 3.098 4.142 0.142 20 0 "[ . 1 . 2]" 1
680 1 31 LYS QD 1 33 GLY H 5.430 . 5.430 4.907 4.262 5.206 . 0 0 "[ . 1 . 2]" 1
681 1 31 LYS QE 1 32 PHE QD 6.000 . 6.000 4.257 3.139 4.880 . 0 0 "[ . 1 . 2]" 1
682 1 31 LYS QE 1 32 PHE QE 4.000 . 4.000 3.345 2.538 4.055 0.055 19 0 "[ . 1 . 2]" 1
683 1 31 LYS QE 1 32 PHE HZ . . 4.000 3.309 2.454 4.103 0.103 8 0 "[ . 1 . 2]" 1
684 1 31 LYS QG 1 32 PHE H 4.330 . 4.330 2.755 2.434 3.319 . 0 0 "[ . 1 . 2]" 1
685 1 31 LYS QG 1 32 PHE QD 5.500 . 5.500 3.265 2.703 4.648 . 0 0 "[ . 1 . 2]" 1
686 1 31 LYS QG 1 32 PHE QE 5.500 . 5.500 3.419 2.990 4.813 . 0 0 "[ . 1 . 2]" 1
687 1 31 LYS QG 1 33 GLY H 5.500 . 5.500 4.791 4.552 5.294 . 0 0 "[ . 1 . 2]" 1
688 1 32 PHE H 1 32 PHE QD 4.190 . 4.190 2.823 2.272 3.582 . 0 0 "[ . 1 . 2]" 1
689 1 32 PHE H 1 33 GLY H 3.140 . 3.140 2.399 2.278 2.589 . 0 0 "[ . 1 . 2]" 1
690 1 32 PHE H 1 33 GLY QA 4.480 . 4.480 4.336 4.265 4.443 . 0 0 "[ . 1 . 2]" 1
691 1 32 PHE H 1 34 LYS H 4.090 . 4.090 3.750 3.362 4.156 0.066 9 0 "[ . 1 . 2]" 1
692 1 32 PHE HA 1 32 PHE HZ 6.000 . 6.000 5.965 5.721 6.093 0.093 17 0 "[ . 1 . 2]" 1
693 1 32 PHE HA 1 33 GLY QA 5.190 . 5.190 4.235 4.151 4.297 . 0 0 "[ . 1 . 2]" 1
694 1 32 PHE HB2 1 33 GLY H 4.780 . 4.780 3.241 2.848 3.788 . 0 0 "[ . 1 . 2]" 1
695 1 32 PHE HB2 1 34 LYS H 4.800 . 4.800 3.206 2.765 3.781 . 0 0 "[ . 1 . 2]" 1
696 1 32 PHE HB2 1 34 LYS HB2 5.500 . 5.500 3.222 2.920 3.484 . 0 0 "[ . 1 . 2]" 1
697 1 32 PHE HB2 1 34 LYS HB3 4.930 . 4.930 4.286 3.536 4.966 0.036 15 0 "[ . 1 . 2]" 1
698 1 32 PHE HB2 1 34 LYS QE 4.570 . 4.570 4.390 3.357 5.197 0.627 11 1 "[ . 1+ . 2]" 1
699 1 32 PHE HB2 1 34 LYS HG2 5.500 . 5.500 4.718 2.418 5.588 0.088 7 0 "[ . 1 . 2]" 1
700 1 32 PHE HB3 1 33 GLY H 4.640 . 4.640 4.115 3.848 4.328 . 0 0 "[ . 1 . 2]" 1
701 1 32 PHE HB3 1 34 LYS H 4.410 . 4.410 4.315 3.941 4.798 0.388 6 0 "[ . 1 . 2]" 1
702 1 32 PHE QD 1 33 GLY H 5.500 . 5.500 4.465 4.220 4.811 . 0 0 "[ . 1 . 2]" 1
703 1 32 PHE QD 1 34 LYS HB2 5.070 . 5.070 4.449 3.846 5.067 . 0 0 "[ . 1 . 2]" 1
704 1 32 PHE QD 1 34 LYS HB3 5.360 . 5.360 5.137 4.395 5.478 0.118 8 0 "[ . 1 . 2]" 1
705 1 33 GLY H 1 34 LYS H 3.250 . 3.250 2.341 1.982 2.667 . 0 0 "[ . 1 . 2]" 1
706 1 33 GLY H 1 34 LYS HA 5.270 . 5.270 5.021 4.746 5.282 0.012 2 0 "[ . 1 . 2]" 1
707 1 33 GLY H 1 34 LYS HB2 5.290 . 5.290 4.429 4.058 4.950 . 0 0 "[ . 1 . 2]" 1
708 1 33 GLY H 1 34 LYS HB3 5.500 . 5.500 5.189 4.736 5.634 0.134 14 0 "[ . 1 . 2]" 1
709 1 33 GLY QA 1 34 LYS HA 4.520 . 4.520 4.030 3.985 4.077 . 0 0 "[ . 1 . 2]" 1
710 1 33 GLY QA 1 34 LYS QD 5.500 . 5.500 4.877 3.536 5.577 0.077 11 0 "[ . 1 . 2]" 1
711 1 34 LYS H 1 34 LYS HB2 3.280 . 3.280 2.532 2.166 2.906 . 0 0 "[ . 1 . 2]" 1
712 1 34 LYS H 1 34 LYS QD 4.920 . 4.920 3.979 2.480 4.858 . 0 0 "[ . 1 . 2]" 1
713 1 34 LYS H 1 35 SER H 4.660 . 4.660 4.472 4.250 4.593 . 0 0 "[ . 1 . 2]" 1
714 1 34 LYS HA 1 34 LYS QD 3.630 . 3.630 2.376 1.907 3.393 . 0 0 "[ . 1 . 2]" 1
715 1 34 LYS HA 1 34 LYS QE 5.360 . 5.360 3.085 1.667 4.156 . 0 0 "[ . 1 . 2]" 1
716 1 34 LYS HA 1 34 LYS HG3 4.160 . 4.160 2.804 2.242 3.752 . 0 0 "[ . 1 . 2]" 1
717 1 34 LYS HA 1 35 SER H 2.870 . 2.870 2.251 2.106 2.512 . 0 0 "[ . 1 . 2]" 1
718 1 34 LYS HB2 1 35 SER H 4.160 . 4.160 4.149 3.896 4.346 0.186 9 0 "[ . 1 . 2]" 1
719 1 34 LYS HB3 1 34 LYS QD 3.920 . 3.920 3.306 2.352 3.512 . 0 0 "[ . 1 . 2]" 1
720 1 34 LYS HB3 1 35 SER H 3.560 . 3.560 3.422 2.890 3.908 0.348 2 0 "[ . 1 . 2]" 1
721 1 34 LYS QD 1 35 SER H 4.620 . 4.620 3.427 1.995 4.680 0.060 1 0 "[ . 1 . 2]" 1
722 1 34 LYS HG2 1 35 SER H 5.230 . 5.230 4.275 3.303 5.043 . 0 0 "[ . 1 . 2]" 1
723 1 34 LYS HG3 1 35 SER H 5.080 . 5.080 2.988 1.683 5.326 0.246 18 0 "[ . 1 . 2]" 1
724 1 35 SER HA 1 36 MET H 3.300 . 3.300 2.145 2.097 2.201 . 0 0 "[ . 1 . 2]" 1
725 1 36 MET H 1 36 MET QB 3.490 . 3.490 2.577 2.400 3.074 . 0 0 "[ . 1 . 2]" 1
726 1 36 MET H 1 36 MET HG2 4.510 . 4.510 4.314 3.191 4.574 0.064 15 0 "[ . 1 . 2]" 1
727 1 36 MET H 1 36 MET HG3 4.890 . 4.890 4.336 2.115 4.933 0.043 8 0 "[ . 1 . 2]" 1
728 1 36 MET HA 1 37 ASN H 3.560 . 3.560 2.262 2.085 2.539 . 0 0 "[ . 1 . 2]" 1
729 1 36 MET HA 1 37 ASN HD21 3.510 . 3.510 3.072 2.563 3.283 . 0 0 "[ . 1 . 2]" 1
730 1 36 MET HA 1 37 ASN HD22 3.710 . 3.710 3.820 3.734 3.924 0.214 6 0 "[ . 1 . 2]" 1
731 1 36 MET QB 1 36 MET ME 2.500 . 2.500 2.071 1.819 2.591 0.091 10 0 "[ . 1 . 2]" 1
732 1 36 MET QB 1 37 ASN H 5.310 . 5.310 3.352 2.344 3.815 . 0 0 "[ . 1 . 2]" 1
733 1 36 MET ME 1 36 MET HG3 3.470 . 3.470 2.719 2.376 3.411 . 0 0 "[ . 1 . 2]" 1
734 1 36 MET ME 1 38 MET HB2 5.500 . 5.500 3.714 3.056 4.403 . 0 0 "[ . 1 . 2]" 1
735 1 36 MET ME 1 38 MET HB3 4.990 . 4.990 4.301 3.387 5.568 0.578 10 1 "[ . + . 2]" 1
736 1 36 MET ME 1 38 MET ME 3.400 . 3.400 3.102 2.220 3.539 0.139 10 0 "[ . 1 . 2]" 1
737 1 37 ASN HA 1 37 ASN HD22 5.500 . 5.500 4.590 3.907 5.011 . 0 0 "[ . 1 . 2]" 1
738 1 37 ASN HA 1 38 MET H 3.330 . 3.330 2.180 2.093 2.329 . 0 0 "[ . 1 . 2]" 1
739 1 38 MET HA 1 38 MET HG3 4.240 . 4.240 2.627 2.261 3.016 . 0 0 "[ . 1 . 2]" 1
740 1 38 MET HA 1 39 PRO HB3 5.500 . 5.500 5.069 4.762 5.453 . 0 0 "[ . 1 . 2]" 1
741 1 38 MET HA 1 39 PRO HD2 3.620 . 3.620 2.249 1.864 2.734 . 0 0 "[ . 1 . 2]" 1
742 1 38 MET HA 1 39 PRO HD3 3.320 . 3.320 2.133 1.699 2.565 . 0 0 "[ . 1 . 2]" 1
743 1 38 MET HA 1 39 PRO QG 4.780 . 4.780 3.723 3.590 3.833 . 0 0 "[ . 1 . 2]" 1
744 1 38 MET HA 1 42 LYS QE 4.140 . 4.140 4.075 3.359 4.276 0.136 6 0 "[ . 1 . 2]" 1
745 1 38 MET HB2 1 38 MET ME 4.300 . 4.300 2.176 1.722 4.064 . 0 0 "[ . 1 . 2]" 1
746 1 38 MET HB2 1 39 PRO HD2 5.450 . 5.450 3.973 3.485 4.292 . 0 0 "[ . 1 . 2]" 1
747 1 38 MET HB2 1 39 PRO HD3 4.900 . 4.900 4.477 3.954 5.156 0.256 6 0 "[ . 1 . 2]" 1
748 1 38 MET HB2 1 39 PRO QG 5.500 . 5.500 5.467 5.036 5.761 0.261 10 0 "[ . 1 . 2]" 1
749 1 38 MET HB3 1 38 MET ME 4.480 . 4.480 3.107 2.791 4.007 . 0 0 "[ . 1 . 2]" 1
750 1 38 MET ME 1 38 MET HG3 3.080 . 3.080 2.542 2.402 2.730 . 0 0 "[ . 1 . 2]" 1
751 1 38 MET ME 1 39 PRO HD2 4.570 . 4.570 4.168 3.804 4.550 . 0 0 "[ . 1 . 2]" 1
752 1 38 MET ME 1 42 LYS QD 3.390 . 3.390 2.943 1.399 3.472 0.082 16 0 "[ . 1 . 2]" 1
753 1 38 MET ME 1 42 LYS QE 4.460 . 4.460 3.916 2.673 4.464 0.004 13 0 "[ . 1 . 2]" 1
754 1 38 MET ME 1 42 LYS QG 3.940 . 3.940 3.215 2.605 4.019 0.079 4 0 "[ . 1 . 2]" 1
755 1 38 MET ME 1 44 MET HA 4.420 . 4.420 4.115 3.656 4.486 0.066 16 0 "[ . 1 . 2]" 1
756 1 38 MET ME 1 44 MET QG 2.830 . 2.830 2.415 1.857 2.847 0.017 16 0 "[ . 1 . 2]" 1
757 1 38 MET HG2 1 39 PRO HD2 4.450 . 4.450 3.323 2.303 4.000 . 0 0 "[ . 1 . 2]" 1
758 1 38 MET HG2 1 39 PRO HD3 5.020 . 5.020 4.355 3.592 4.817 . 0 0 "[ . 1 . 2]" 1
759 1 38 MET HG2 1 39 PRO QG 5.500 . 5.500 4.434 3.358 5.391 . 0 0 "[ . 1 . 2]" 1
760 1 38 MET HG2 1 42 LYS QG 4.930 . 4.930 2.937 2.167 4.056 . 0 0 "[ . 1 . 2]" 1
761 1 38 MET HG2 1 44 MET QG 5.500 . 5.500 4.937 4.202 5.589 0.089 13 0 "[ . 1 . 2]" 1
762 1 38 MET HG3 1 39 PRO HD2 3.880 . 3.880 2.514 2.096 4.044 0.164 10 0 "[ . 1 . 2]" 1
763 1 38 MET HG3 1 39 PRO HD3 4.140 . 4.140 3.773 3.191 5.060 0.920 10 1 "[ . + . 2]" 1
764 1 38 MET HG3 1 39 PRO QG 5.500 . 5.500 4.040 3.211 5.684 0.184 10 0 "[ . 1 . 2]" 1
765 1 38 MET HG3 1 42 LYS QG 4.680 . 4.680 2.252 1.548 4.127 . 0 0 "[ . 1 . 2]" 1
766 1 39 PRO HA 1 40 GLU H 2.820 . 2.820 2.434 2.110 2.870 0.050 13 0 "[ . 1 . 2]" 1
767 1 39 PRO HB2 1 40 GLU H 3.760 . 3.760 2.743 1.858 3.699 . 0 0 "[ . 1 . 2]" 1
768 1 39 PRO HB2 1 42 LYS QE 5.500 . 5.500 4.022 2.622 5.146 . 0 0 "[ . 1 . 2]" 1
769 1 39 PRO HB2 1 42 LYS QG 5.230 . 5.230 3.768 2.764 4.497 . 0 0 "[ . 1 . 2]" 1
770 1 39 PRO HB3 1 40 GLU H 3.980 . 3.980 3.320 2.666 3.968 . 0 0 "[ . 1 . 2]" 1
771 1 39 PRO HD2 1 42 LYS QD 5.170 . 5.170 3.666 2.317 4.395 . 0 0 "[ . 1 . 2]" 1
772 1 39 PRO HD2 1 42 LYS QE 5.210 . 5.210 2.372 1.851 2.872 . 0 0 "[ . 1 . 2]" 1
773 1 39 PRO HD2 1 42 LYS QG 4.280 . 4.280 2.571 1.831 3.429 . 0 0 "[ . 1 . 2]" 1
774 1 39 PRO HD3 1 40 GLU H 5.500 . 5.500 5.532 5.369 5.775 0.275 15 0 "[ . 1 . 2]" 1
775 1 39 PRO HD3 1 42 LYS QE 5.380 . 5.380 3.527 3.100 4.156 . 0 0 "[ . 1 . 2]" 1
776 1 39 PRO HD3 1 42 LYS QG 4.760 . 4.760 4.011 3.224 4.796 0.036 11 0 "[ . 1 . 2]" 1
777 1 39 PRO QG 1 42 LYS QE 4.670 . 4.670 2.407 1.748 3.081 . 0 0 "[ . 1 . 2]" 1
778 1 39 PRO QG 1 42 LYS QG 4.770 . 4.770 2.863 1.951 3.888 . 0 0 "[ . 1 . 2]" 1
779 1 40 GLU H 1 40 GLU HB3 3.160 . 3.160 2.628 2.390 2.989 . 0 0 "[ . 1 . 2]" 1
780 1 40 GLU H 1 40 GLU HG3 4.550 . 4.550 3.771 2.853 4.543 . 0 0 "[ . 1 . 2]" 1
781 1 40 GLU H 1 41 GLY H 4.860 . 4.860 4.535 4.275 4.620 . 0 0 "[ . 1 . 2]" 1
782 1 40 GLU HA 1 41 GLY H 2.970 . 2.970 2.214 2.091 2.427 . 0 0 "[ . 1 . 2]" 1
783 1 40 GLU HA 1 41 GLY HA2 4.770 . 4.770 4.446 4.292 4.605 . 0 0 "[ . 1 . 2]" 1
784 1 40 GLU HA 1 41 GLY HA3 4.540 . 4.540 4.432 4.352 4.536 . 0 0 "[ . 1 . 2]" 1
785 1 40 GLU HA 1 42 LYS H 4.370 . 4.370 3.435 2.920 3.926 . 0 0 "[ . 1 . 2]" 1
786 1 40 GLU HA 1 53 ILE MG 5.400 . 5.400 4.804 4.174 5.425 0.025 8 0 "[ . 1 . 2]" 1
787 1 40 GLU HA 1 54 MET H 5.500 . 5.500 4.862 4.245 5.513 0.013 2 0 "[ . 1 . 2]" 1
788 1 40 GLU HA 1 54 MET QB 4.320 . 4.320 2.665 1.951 3.149 . 0 0 "[ . 1 . 2]" 1
789 1 40 GLU HA 1 54 MET QG 4.420 . 4.420 3.303 2.560 4.057 . 0 0 "[ . 1 . 2]" 1
790 1 40 GLU HB2 1 41 GLY H 4.400 . 4.400 3.408 2.382 4.514 0.114 4 0 "[ . 1 . 2]" 1
791 1 40 GLU HB3 1 41 GLY H 4.480 . 4.480 4.057 3.649 4.395 . 0 0 "[ . 1 . 2]" 1
792 1 40 GLU HG2 1 41 GLY H 5.220 . 5.220 4.050 2.741 5.152 . 0 0 "[ . 1 . 2]" 1
793 1 40 GLU HG3 1 41 GLY H 4.750 . 4.750 4.013 2.646 5.281 0.531 18 2 "[ . - . + 2]" 1
794 1 40 GLU HG3 1 41 GLY HA2 5.500 . 5.500 5.017 4.078 6.145 0.645 10 3 "[ . - + . * 2]" 1
795 1 40 GLU HG3 1 41 GLY HA3 5.500 . 5.500 4.759 3.613 6.020 0.520 18 1 "[ . 1 . + 2]" 1
796 1 41 GLY H 1 42 LYS H 3.740 . 3.740 2.295 1.963 2.574 . 0 0 "[ . 1 . 2]" 1
797 1 41 GLY H 1 42 LYS QG 5.500 . 5.500 4.370 3.778 4.953 . 0 0 "[ . 1 . 2]" 1
798 1 41 GLY H 1 53 ILE MG 4.130 . 4.130 3.146 2.558 4.019 . 0 0 "[ . 1 . 2]" 1
799 1 41 GLY H 1 54 MET H 4.540 . 4.540 3.599 3.146 4.260 . 0 0 "[ . 1 . 2]" 1
800 1 41 GLY H 1 54 MET HA 5.180 . 5.180 4.542 4.248 4.855 . 0 0 "[ . 1 . 2]" 1
801 1 41 GLY H 1 54 MET QB 4.010 . 4.010 2.696 2.039 3.296 . 0 0 "[ . 1 . 2]" 1
802 1 41 GLY HA2 1 53 ILE HA 5.500 . 5.500 5.001 4.416 5.382 . 0 0 "[ . 1 . 2]" 1
803 1 41 GLY HA2 1 53 ILE MG 3.480 . 3.480 2.423 2.177 2.627 . 0 0 "[ . 1 . 2]" 1
804 1 41 GLY HA2 1 54 MET H 5.500 . 5.500 4.374 3.530 5.240 . 0 0 "[ . 1 . 2]" 1
805 1 41 GLY HA3 1 53 ILE MG 3.780 . 3.780 3.821 3.606 3.949 0.169 8 0 "[ . 1 . 2]" 1
806 1 42 LYS H 1 42 LYS QB 3.300 . 3.300 2.369 2.154 2.730 . 0 0 "[ . 1 . 2]" 1
807 1 42 LYS H 1 42 LYS QD 4.960 . 4.960 4.044 3.603 4.632 . 0 0 "[ . 1 . 2]" 1
808 1 42 LYS H 1 42 LYS QG 3.810 . 3.810 2.607 2.237 3.110 . 0 0 "[ . 1 . 2]" 1
809 1 42 LYS H 1 43 VAL H 4.920 . 4.920 4.538 4.451 4.608 . 0 0 "[ . 1 . 2]" 1
810 1 42 LYS H 1 43 VAL MG2 5.500 . 5.500 5.200 4.833 5.494 . 0 0 "[ . 1 . 2]" 1
811 1 42 LYS H 1 53 ILE MG 5.040 . 5.040 3.659 2.778 4.470 . 0 0 "[ . 1 . 2]" 1
812 1 42 LYS H 1 54 MET H 4.580 . 4.580 3.392 2.473 4.262 . 0 0 "[ . 1 . 2]" 1
813 1 42 LYS H 1 54 MET QB 3.720 . 3.720 2.748 1.659 3.647 . 0 0 "[ . 1 . 2]" 1
814 1 42 LYS HA 1 42 LYS QD 3.890 . 3.890 2.625 1.991 3.889 . 0 0 "[ . 1 . 2]" 1
815 1 42 LYS HA 1 42 LYS QE 4.530 . 4.530 4.157 3.830 4.577 0.047 8 0 "[ . 1 . 2]" 1
816 1 42 LYS HA 1 42 LYS QG 3.590 . 3.590 2.665 2.185 3.407 . 0 0 "[ . 1 . 2]" 1
817 1 42 LYS HA 1 43 VAL H 2.770 . 2.770 2.211 2.132 2.416 . 0 0 "[ . 1 . 2]" 1
818 1 42 LYS HA 1 43 VAL HA 4.510 . 4.510 4.365 4.291 4.411 . 0 0 "[ . 1 . 2]" 1
819 1 42 LYS HA 1 43 VAL HB 4.870 . 4.870 4.660 4.576 4.781 . 0 0 "[ . 1 . 2]" 1
820 1 42 LYS HA 1 43 VAL MG1 5.500 . 5.500 5.451 5.364 5.515 0.015 8 0 "[ . 1 . 2]" 1
821 1 42 LYS HA 1 43 VAL MG2 4.350 . 4.350 3.485 3.113 3.752 . 0 0 "[ . 1 . 2]" 1
822 1 42 LYS QB 1 42 LYS QE 4.400 . 4.400 3.513 1.849 3.760 . 0 0 "[ . 1 . 2]" 1
823 1 42 LYS QB 1 43 VAL H 3.810 . 3.810 2.921 2.369 3.309 . 0 0 "[ . 1 . 2]" 1
824 1 42 LYS QB 1 43 VAL HA 4.900 . 4.900 4.384 4.147 4.707 . 0 0 "[ . 1 . 2]" 1
825 1 42 LYS QE 1 42 LYS QG 3.030 . 3.030 2.172 2.118 2.366 . 0 0 "[ . 1 . 2]" 1
826 1 43 VAL H 1 43 VAL HB 2.980 . 2.980 2.539 2.481 2.710 . 0 0 "[ . 1 . 2]" 1
827 1 43 VAL H 1 43 VAL MG1 4.170 . 4.170 3.792 3.761 3.882 . 0 0 "[ . 1 . 2]" 1
828 1 43 VAL H 1 43 VAL MG2 3.410 . 3.410 2.295 2.023 2.697 . 0 0 "[ . 1 . 2]" 1
829 1 43 VAL H 1 44 MET H 5.100 . 5.100 4.305 4.163 4.478 . 0 0 "[ . 1 . 2]" 1
830 1 43 VAL HA 1 43 VAL MG1 3.380 . 3.380 2.381 2.354 2.412 . 0 0 "[ . 1 . 2]" 1
831 1 43 VAL HA 1 43 VAL MG2 3.460 . 3.460 2.404 2.377 2.437 . 0 0 "[ . 1 . 2]" 1
832 1 43 VAL HA 1 44 MET H 2.930 . 2.930 2.160 2.115 2.224 . 0 0 "[ . 1 . 2]" 1
833 1 43 VAL HA 1 44 MET HA 4.490 . 4.490 4.421 4.377 4.454 . 0 0 "[ . 1 . 2]" 1
834 1 43 VAL HA 1 44 MET HB2 5.240 . 5.240 4.602 4.447 4.703 . 0 0 "[ . 1 . 2]" 1
835 1 43 VAL HA 1 44 MET QG 4.520 . 4.520 4.093 3.688 4.577 0.057 6 0 "[ . 1 . 2]" 1
836 1 43 VAL HA 1 51 LYS QD 4.910 . 4.910 4.983 4.919 5.043 0.133 10 0 "[ . 1 . 2]" 1
837 1 43 VAL HA 1 52 ILE H 5.110 . 5.110 4.538 4.174 5.000 . 0 0 "[ . 1 . 2]" 1
838 1 43 VAL HA 1 53 ILE H 5.500 . 5.500 4.903 4.212 5.440 . 0 0 "[ . 1 . 2]" 1
839 1 43 VAL HA 1 53 ILE HG13 4.700 . 4.700 3.097 2.112 5.063 0.363 2 0 "[ . 1 . 2]" 1
840 1 43 VAL MG1 1 44 MET H 3.760 . 3.760 3.078 2.681 3.397 . 0 0 "[ . 1 . 2]" 1
841 1 43 VAL MG1 1 44 MET HA 4.320 . 4.320 3.873 3.578 4.123 . 0 0 "[ . 1 . 2]" 1
842 1 43 VAL MG1 1 45 GLU H 4.510 . 4.510 3.703 3.240 4.297 . 0 0 "[ . 1 . 2]" 1
843 1 43 VAL MG1 1 45 GLU QG 5.500 . 5.500 4.405 4.085 4.813 . 0 0 "[ . 1 . 2]" 1
844 1 43 VAL MG1 1 51 LYS HA 4.610 . 4.610 3.233 2.850 3.823 . 0 0 "[ . 1 . 2]" 1
845 1 43 VAL MG1 1 51 LYS HB2 4.640 . 4.640 3.832 3.427 4.518 . 0 0 "[ . 1 . 2]" 1
846 1 43 VAL MG1 1 51 LYS HB3 4.190 . 4.190 2.483 1.959 3.874 . 0 0 "[ . 1 . 2]" 1
847 1 43 VAL MG1 1 51 LYS QD 4.530 . 4.530 2.069 1.680 2.498 . 0 0 "[ . 1 . 2]" 1
848 1 43 VAL MG1 1 51 LYS QE 4.450 . 4.450 2.995 2.180 4.167 . 0 0 "[ . 1 . 2]" 1
849 1 43 VAL MG1 1 51 LYS QG . . 3.730 2.438 2.000 3.510 . 0 0 "[ . 1 . 2]" 1
850 1 43 VAL MG2 1 51 LYS HB3 5.410 . 5.410 4.267 3.623 5.427 0.017 19 0 "[ . 1 . 2]" 1
851 1 43 VAL MG2 1 51 LYS QG 5.500 . 5.500 4.564 3.967 5.173 . 0 0 "[ . 1 . 2]" 1
852 1 43 VAL MG2 1 53 ILE HA 4.650 . 4.650 4.014 3.391 4.548 . 0 0 "[ . 1 . 2]" 1
853 1 43 VAL MG2 1 53 ILE MD 5.190 . 5.190 2.951 1.963 4.436 . 0 0 "[ . 1 . 2]" 1
854 1 43 VAL MG2 1 53 ILE HG12 4.700 . 4.700 3.615 2.724 4.732 0.032 7 0 "[ . 1 . 2]" 1
855 1 43 VAL MG2 1 53 ILE HG13 4.710 . 4.710 2.779 1.854 4.552 . 0 0 "[ . 1 . 2]" 1
856 1 43 VAL MG2 1 53 ILE MG 6.000 . 6.000 3.842 3.179 4.907 . 0 0 "[ . 1 . 2]" 1
857 1 43 VAL MG2 1 54 MET H 5.500 . 5.500 5.138 4.375 5.529 0.029 20 0 "[ . 1 . 2]" 1
858 1 44 MET H 1 44 MET HB2 3.650 . 3.650 2.486 2.393 2.620 . 0 0 "[ . 1 . 2]" 1
859 1 44 MET H 1 44 MET HB3 3.890 . 3.890 3.659 3.610 3.756 . 0 0 "[ . 1 . 2]" 1
860 1 44 MET H 1 44 MET QG 3.920 . 3.920 2.716 2.351 3.386 . 0 0 "[ . 1 . 2]" 1
861 1 44 MET H 1 45 GLU H 5.210 . 5.210 4.264 4.079 4.546 . 0 0 "[ . 1 . 2]" 1
862 1 44 MET H 1 52 ILE HB 4.720 . 4.720 4.009 3.674 4.309 . 0 0 "[ . 1 . 2]" 1
863 1 44 MET H 1 52 ILE MG 5.490 . 5.490 4.533 4.199 4.788 . 0 0 "[ . 1 . 2]" 1
864 1 44 MET H 1 53 ILE HA 4.160 . 4.160 3.126 2.378 3.640 . 0 0 "[ . 1 . 2]" 1
865 1 44 MET HA 1 44 MET ME 4.670 . 4.670 4.450 4.134 4.645 . 0 0 "[ . 1 . 2]" 1
866 1 44 MET HA 1 44 MET QG 3.230 . 3.230 2.406 2.243 2.546 . 0 0 "[ . 1 . 2]" 1
867 1 44 MET HA 1 45 GLU H 2.890 . 2.890 2.193 2.128 2.263 . 0 0 "[ . 1 . 2]" 1
868 1 44 MET HA 1 45 GLU QB 4.630 . 4.630 4.154 3.935 4.232 . 0 0 "[ . 1 . 2]" 1
869 1 44 MET HB2 1 44 MET ME 2.400 . 2.400 2.067 1.570 2.372 . 0 0 "[ . 1 . 2]" 1
870 1 44 MET HB2 1 45 GLU H 4.530 . 4.530 4.345 3.941 4.497 . 0 0 "[ . 1 . 2]" 1
871 1 44 MET HB2 1 52 ILE H 5.230 . 5.230 3.181 2.815 3.664 . 0 0 "[ . 1 . 2]" 1
872 1 44 MET HB3 1 52 ILE H 5.500 . 5.500 4.274 4.036 4.627 . 0 0 "[ . 1 . 2]" 1
873 1 44 MET HB3 1 52 ILE HB 4.700 . 4.700 3.800 3.334 4.654 . 0 0 "[ . 1 . 2]" 1
874 1 44 MET ME 1 44 MET QG 3.240 . 3.240 2.439 2.349 2.673 . 0 0 "[ . 1 . 2]" 1
875 1 44 MET ME 1 46 THR MG 5.500 . 5.500 4.761 4.310 5.244 . 0 0 "[ . 1 . 2]" 1
876 1 44 MET ME 1 52 ILE HA 5.290 . 5.290 4.525 4.035 5.300 0.010 8 0 "[ . 1 . 2]" 1
877 1 44 MET ME 1 52 ILE HB 3.200 . 3.200 2.466 1.826 3.067 . 0 0 "[ . 1 . 2]" 1
878 1 44 MET ME 1 52 ILE MD 4.390 . 4.390 3.622 2.863 4.198 . 0 0 "[ . 1 . 2]" 1
879 1 44 MET ME 1 52 ILE HG12 5.500 . 5.500 4.900 4.133 5.560 0.060 8 0 "[ . 1 . 2]" 1
880 1 44 MET ME 1 52 ILE QG 6.000 . 6.000 4.234 3.408 4.798 . 0 0 "[ . 1 . 2]" 1
881 1 44 MET ME 1 52 ILE MG 3.190 . 3.190 2.407 2.130 3.018 . 0 0 "[ . 1 . 2]" 1
882 1 44 MET ME 1 53 ILE H 5.500 . 5.500 4.508 3.846 5.580 0.080 8 0 "[ . 1 . 2]" 1
883 1 44 MET ME 1 53 ILE HA 4.890 . 4.890 3.904 3.194 4.902 0.012 1 0 "[ . 1 . 2]" 1
884 1 44 MET ME 1 54 MET H 4.260 . 4.260 3.284 2.491 4.353 0.093 1 0 "[ . 1 . 2]" 1
885 1 44 MET ME 1 54 MET QB 5.040 . 5.040 2.709 1.649 4.202 . 0 0 "[ . 1 . 2]" 1
886 1 44 MET ME 1 54 MET QG 5.500 . 5.500 3.277 1.574 4.721 . 0 0 "[ . 1 . 2]" 1
887 1 44 MET QG 1 45 GLU H 4.560 . 4.560 4.278 4.009 4.411 . 0 0 "[ . 1 . 2]" 1
888 1 44 MET QG 1 52 ILE HB 5.340 . 5.340 4.474 3.827 5.089 . 0 0 "[ . 1 . 2]" 1
889 1 45 GLU H 1 45 GLU QB 3.310 . 3.310 2.399 2.301 2.640 . 0 0 "[ . 1 . 2]" 1
890 1 45 GLU H 1 46 THR H 4.780 . 4.780 4.320 4.105 4.421 . 0 0 "[ . 1 . 2]" 1
891 1 45 GLU H 1 46 THR MG 5.500 . 5.500 4.965 4.689 5.214 . 0 0 "[ . 1 . 2]" 1
892 1 45 GLU H 1 51 LYS HA 5.420 . 5.420 4.398 4.095 4.826 . 0 0 "[ . 1 . 2]" 1
893 1 45 GLU H 1 52 ILE H 5.260 . 5.260 4.632 4.434 4.883 . 0 0 "[ . 1 . 2]" 1
894 1 45 GLU HA 1 46 THR H 2.690 . 2.690 2.108 2.056 2.137 . 0 0 "[ . 1 . 2]" 1
895 1 45 GLU HA 1 46 THR MG 4.450 . 4.450 3.480 3.369 3.583 . 0 0 "[ . 1 . 2]" 1
896 1 45 GLU HA 1 50 THR H 4.980 . 4.980 3.991 3.628 4.202 . 0 0 "[ . 1 . 2]" 1
897 1 45 GLU HA 1 51 LYS H 5.500 . 5.500 4.298 4.157 4.585 . 0 0 "[ . 1 . 2]" 1
898 1 45 GLU HA 1 51 LYS QE 5.500 . 5.500 5.127 4.491 5.578 0.078 19 0 "[ . 1 . 2]" 1
899 1 45 GLU HA 1 51 LYS QG 4.630 . 4.630 3.240 2.800 4.411 . 0 0 "[ . 1 . 2]" 1
900 1 45 GLU HA 1 52 ILE H 4.140 . 4.140 3.283 2.873 3.617 . 0 0 "[ . 1 . 2]" 1
901 1 45 GLU QB 1 45 GLU QG 2.400 . 2.400 2.082 2.077 2.088 . 0 0 "[ . 1 . 2]" 1
902 1 45 GLU QB 1 46 THR H 4.230 . 4.230 3.811 3.745 3.875 . 0 0 "[ . 1 . 2]" 1
903 1 45 GLU QB 1 46 THR MG 5.500 . 5.500 4.952 4.874 5.009 . 0 0 "[ . 1 . 2]" 1
904 1 45 GLU QB 1 50 THR H 5.500 . 5.500 4.957 4.661 5.042 . 0 0 "[ . 1 . 2]" 1
905 1 45 GLU QB 1 51 LYS QE 4.800 . 4.800 3.591 2.747 4.690 . 0 0 "[ . 1 . 2]" 1
906 1 45 GLU QG 1 46 THR H . . 4.230 3.010 2.851 3.235 . 0 0 "[ . 1 . 2]" 1
907 1 45 GLU QG 1 49 GLY H 4.750 . 4.750 3.357 3.130 3.755 . 0 0 "[ . 1 . 2]" 1
908 1 45 GLU QG 1 49 GLY HA2 4.240 . 4.240 2.355 1.977 2.701 . 0 0 "[ . 1 . 2]" 1
909 1 45 GLU QG 1 49 GLY HA3 4.540 . 4.540 3.817 3.464 4.154 . 0 0 "[ . 1 . 2]" 1
910 1 45 GLU QG 1 50 THR H 5.500 . 5.500 3.114 2.867 3.314 . 0 0 "[ . 1 . 2]" 1
911 1 45 GLU QG 1 51 LYS QE 5.370 . 5.370 3.815 2.869 4.506 . 0 0 "[ . 1 . 2]" 1
912 1 45 GLU QG 1 51 LYS QG 5.170 . 5.170 2.617 2.110 3.300 . 0 0 "[ . 1 . 2]" 1
913 1 46 THR H 1 46 THR MG 3.240 . 3.240 1.986 1.898 2.100 . 0 0 "[ . 1 . 2]" 1
914 1 46 THR H 1 47 ARG H 5.500 . 5.500 4.593 4.519 4.660 . 0 0 "[ . 1 . 2]" 1
915 1 46 THR H 1 49 GLY H 4.610 . 4.610 4.050 3.836 4.408 . 0 0 "[ . 1 . 2]" 1
916 1 46 THR H 1 49 GLY HA2 5.260 . 5.260 4.536 4.176 4.797 . 0 0 "[ . 1 . 2]" 1
917 1 46 THR H 1 50 THR H 3.850 . 3.850 2.695 2.537 2.868 . 0 0 "[ . 1 . 2]" 1
918 1 46 THR H 1 50 THR HA 5.500 . 5.500 4.421 4.310 4.532 . 0 0 "[ . 1 . 2]" 1
919 1 46 THR H 1 50 THR HB 4.520 . 4.520 3.020 2.884 3.218 . 0 0 "[ . 1 . 2]" 1
920 1 46 THR H 1 50 THR HG1 5.020 . 5.020 4.543 4.293 4.760 . 0 0 "[ . 1 . 2]" 1
921 1 46 THR H 1 51 LYS HA 3.990 . 3.990 3.771 3.507 4.039 0.049 18 0 "[ . 1 . 2]" 1
922 1 46 THR H 1 52 ILE H 4.710 . 4.710 4.262 3.905 4.687 . 0 0 "[ . 1 . 2]" 1
923 1 46 THR H 1 52 ILE HB 5.420 . 5.420 5.346 5.045 5.481 0.061 14 0 "[ . 1 . 2]" 1
924 1 46 THR H 1 52 ILE MD 5.500 . 5.500 4.432 4.262 4.707 . 0 0 "[ . 1 . 2]" 1
925 1 46 THR HA 1 46 THR MG 3.530 . 3.530 2.452 2.379 2.490 . 0 0 "[ . 1 . 2]" 1
926 1 46 THR HA 1 47 ARG H 3.200 . 3.200 2.513 2.433 2.626 . 0 0 "[ . 1 . 2]" 1
927 1 46 THR HA 1 47 ARG HA 4.870 . 4.870 4.343 4.307 4.372 . 0 0 "[ . 1 . 2]" 1
928 1 46 THR HA 1 50 THR HB 4.790 . 4.790 4.879 4.821 4.933 0.143 15 0 "[ . 1 . 2]" 1
929 1 46 THR HA 1 52 ILE MD 5.500 . 5.500 5.254 4.757 5.559 0.059 4 0 "[ . 1 . 2]" 1
930 1 46 THR HB 1 47 ARG H 2.950 . 2.950 2.315 2.049 2.553 . 0 0 "[ . 1 . 2]" 1
931 1 46 THR HB 1 48 ASP H 3.660 . 3.660 2.867 2.693 3.061 . 0 0 "[ . 1 . 2]" 1
932 1 46 THR HB 1 48 ASP HB2 5.500 . 5.500 4.428 3.896 5.342 . 0 0 "[ . 1 . 2]" 1
933 1 46 THR HB 1 49 GLY H 4.670 . 4.670 4.498 4.227 4.698 0.028 20 0 "[ . 1 . 2]" 1
934 1 46 THR HB 1 50 THR H 4.500 . 4.500 4.226 3.967 4.427 . 0 0 "[ . 1 . 2]" 1
935 1 46 THR MG 1 47 ARG H 4.340 . 4.340 3.788 3.615 3.898 . 0 0 "[ . 1 . 2]" 1
936 1 46 THR MG 1 48 ASP H 4.950 . 4.950 4.023 3.931 4.115 . 0 0 "[ . 1 . 2]" 1
937 1 46 THR MG 1 48 ASP HB2 5.500 . 5.500 4.624 4.092 5.577 0.077 18 0 "[ . 1 . 2]" 1
938 1 46 THR MG 1 49 GLY H 5.190 . 5.190 4.716 4.541 5.050 . 0 0 "[ . 1 . 2]" 1
939 1 46 THR MG 1 50 THR H 4.030 . 4.030 3.498 3.308 3.650 . 0 0 "[ . 1 . 2]" 1
940 1 46 THR MG 1 50 THR HB 3.580 . 3.580 2.261 2.103 2.506 . 0 0 "[ . 1 . 2]" 1
941 1 46 THR MG 1 51 LYS HA 5.340 . 5.340 4.378 4.141 4.713 . 0 0 "[ . 1 . 2]" 1
942 1 46 THR MG 1 52 ILE H 5.500 . 5.500 4.011 3.752 4.606 . 0 0 "[ . 1 . 2]" 1
943 1 46 THR MG 1 52 ILE HB 5.130 . 5.130 3.908 3.635 4.286 . 0 0 "[ . 1 . 2]" 1
944 1 46 THR MG 1 52 ILE MD 3.690 . 3.690 2.411 2.078 2.621 . 0 0 "[ . 1 . 2]" 1
945 1 46 THR MG 1 52 ILE HG13 4.340 . 4.340 3.021 2.705 3.263 . 0 0 "[ . 1 . 2]" 1
946 1 47 ARG H 1 47 ARG HB2 3.280 . 3.280 2.420 2.174 2.542 . 0 0 "[ . 1 . 2]" 1
947 1 47 ARG H 1 47 ARG HB3 3.600 . 3.600 3.588 3.482 3.618 0.018 18 0 "[ . 1 . 2]" 1
948 1 47 ARG H 1 47 ARG QD 4.990 . 4.990 3.695 3.101 4.395 . 0 0 "[ . 1 . 2]" 1
949 1 47 ARG H 1 47 ARG HG3 3.680 . 3.680 3.078 2.245 3.894 0.214 2 0 "[ . 1 . 2]" 1
950 1 47 ARG H 1 48 ASP H 3.740 . 3.740 2.643 2.486 2.733 . 0 0 "[ . 1 . 2]" 1
951 1 47 ARG H 1 48 ASP HA 5.310 . 5.310 5.199 5.110 5.311 0.001 2 0 "[ . 1 . 2]" 1
952 1 47 ARG H 1 49 GLY H 4.940 . 4.940 4.147 3.992 4.280 . 0 0 "[ . 1 . 2]" 1
953 1 47 ARG HA 1 47 ARG QD 4.100 . 4.100 3.077 1.920 4.182 0.082 4 0 "[ . 1 . 2]" 1
954 1 47 ARG HA 1 47 ARG QG 3.400 . 3.400 2.631 2.305 3.064 . 0 0 "[ . 1 . 2]" 1
955 1 47 ARG HA 1 49 GLY H 4.310 . 4.310 3.472 3.214 3.694 . 0 0 "[ . 1 . 2]" 1
956 1 47 ARG HA 1 50 THR H 5.500 . 5.500 5.350 5.103 5.567 0.067 2 0 "[ . 1 . 2]" 1
957 1 47 ARG HB2 1 47 ARG QD 3.450 . 3.450 2.985 2.327 3.529 0.079 2 0 "[ . 1 . 2]" 1
958 1 47 ARG HB2 1 48 ASP H 4.270 . 4.270 3.379 3.085 3.727 . 0 0 "[ . 1 . 2]" 1
959 1 47 ARG HB3 1 48 ASP H 4.290 . 4.290 4.107 3.579 4.305 0.015 8 0 "[ . 1 . 2]" 1
960 1 47 ARG HB3 1 49 GLY H 5.310 . 5.310 5.144 4.975 5.323 0.013 4 0 "[ . 1 . 2]" 1
961 1 47 ARG HG3 1 48 ASP H 5.170 . 5.170 5.061 4.532 5.522 0.352 12 0 "[ . 1 . 2]" 1
962 1 48 ASP H 1 48 ASP HB2 4.150 . 4.150 2.766 2.539 3.595 . 0 0 "[ . 1 . 2]" 1
963 1 48 ASP H 1 48 ASP HB3 3.950 . 3.950 3.311 2.409 3.696 . 0 0 "[ . 1 . 2]" 1
964 1 48 ASP H 1 49 GLY HA2 5.340 . 5.340 4.612 4.432 4.756 . 0 0 "[ . 1 . 2]" 1
965 1 48 ASP H 1 50 THR HG1 3.810 . 3.810 3.844 3.562 3.984 0.174 18 0 "[ . 1 . 2]" 1
966 1 48 ASP HA 1 49 GLY HA2 5.200 . 5.200 5.094 4.899 5.177 . 0 0 "[ . 1 . 2]" 1
967 1 48 ASP HA 1 50 THR H 5.320 . 5.320 4.789 4.560 5.138 . 0 0 "[ . 1 . 2]" 1
968 1 48 ASP HB2 1 49 GLY H 4.830 . 4.830 3.704 3.211 4.332 . 0 0 "[ . 1 . 2]" 1
969 1 48 ASP HB2 1 49 GLY HA2 5.500 . 5.500 5.465 4.936 6.353 0.853 3 5 "[ + - ** *. 2]" 1
970 1 48 ASP HB2 1 49 GLY HA3 5.500 . 5.500 5.048 4.575 5.963 0.463 11 0 "[ . 1 . 2]" 1
971 1 48 ASP HB2 1 50 THR H 5.110 . 5.110 3.678 2.676 4.839 . 0 0 "[ . 1 . 2]" 1
972 1 48 ASP HB3 1 49 GLY H 5.120 . 5.120 4.106 3.290 4.592 . 0 0 "[ . 1 . 2]" 1
973 1 48 ASP HB3 1 50 THR H 5.370 . 5.370 4.334 3.134 5.454 0.084 18 0 "[ . 1 . 2]" 1
974 1 49 GLY H 1 50 THR HA 5.500 . 5.500 4.992 4.903 5.171 . 0 0 "[ . 1 . 2]" 1
975 1 49 GLY H 1 50 THR HG1 4.730 . 4.730 3.925 3.469 4.744 0.014 2 0 "[ . 1 . 2]" 1
976 1 49 GLY HA2 1 50 THR HA 5.500 . 5.500 4.578 4.515 4.654 . 0 0 "[ . 1 . 2]" 1
977 1 50 THR H 1 50 THR HB 3.080 . 3.080 2.615 2.527 2.701 . 0 0 "[ . 1 . 2]" 1
978 1 50 THR H 1 50 THR HG1 3.820 . 3.820 2.542 2.181 3.125 . 0 0 "[ . 1 . 2]" 1
979 1 50 THR H 1 51 LYS H 4.800 . 4.800 4.338 4.244 4.411 . 0 0 "[ . 1 . 2]" 1
980 1 50 THR HA 1 50 THR MG 3.420 . 3.420 2.328 2.282 2.377 . 0 0 "[ . 1 . 2]" 1
981 1 50 THR HA 1 51 LYS H 2.810 . 2.810 2.137 2.118 2.166 . 0 0 "[ . 1 . 2]" 1
982 1 50 THR HA 1 51 LYS HA 5.470 . 5.470 4.368 4.341 4.403 . 0 0 "[ . 1 . 2]" 1
983 1 50 THR HA 1 51 LYS HB2 4.590 . 4.590 4.381 4.173 4.492 . 0 0 "[ . 1 . 2]" 1
984 1 50 THR HA 1 51 LYS HB3 5.500 . 5.500 5.597 5.346 5.648 0.148 8 0 "[ . 1 . 2]" 1
985 1 50 THR HA 1 51 LYS QG 5.410 . 5.410 4.164 3.704 5.151 . 0 0 "[ . 1 . 2]" 1
986 1 50 THR HB 1 51 LYS H 4.230 . 4.230 4.217 4.069 4.264 0.034 16 0 "[ . 1 . 2]" 1
987 1 50 THR HB 1 52 ILE MD 5.500 . 5.500 3.503 3.109 3.781 . 0 0 "[ . 1 . 2]" 1
988 1 50 THR MG 1 51 LYS H 3.620 . 3.620 2.937 2.616 3.165 . 0 0 "[ . 1 . 2]" 1
989 1 50 THR MG 1 51 LYS HB3 5.500 . 5.500 5.283 5.046 5.443 . 0 0 "[ . 1 . 2]" 1
990 1 50 THR MG 1 52 ILE HA 5.370 . 5.370 4.241 3.981 4.551 . 0 0 "[ . 1 . 2]" 1
991 1 50 THR MG 1 52 ILE HG12 4.490 . 4.490 2.914 2.633 3.478 . 0 0 "[ . 1 . 2]" 1
992 1 51 LYS H 1 51 LYS HB2 3.250 . 3.250 2.294 2.192 2.402 . 0 0 "[ . 1 . 2]" 1
993 1 51 LYS H 1 51 LYS HB3 3.400 . 3.400 3.513 3.204 3.572 0.172 7 0 "[ . 1 . 2]" 1
994 1 51 LYS H 1 51 LYS QD 4.770 . 4.770 4.198 3.817 4.792 0.022 19 0 "[ . 1 . 2]" 1
995 1 51 LYS H 1 51 LYS QE 5.500 . 5.500 4.785 3.625 5.532 0.032 1 0 "[ . 1 . 2]" 1
996 1 51 LYS H 1 51 LYS QG 4.280 . 4.280 2.815 2.424 3.687 . 0 0 "[ . 1 . 2]" 1
997 1 51 LYS H 1 52 ILE H 5.040 . 5.040 4.306 4.194 4.463 . 0 0 "[ . 1 . 2]" 1
998 1 51 LYS H 1 52 ILE MD 5.500 . 5.500 5.474 4.361 5.597 0.097 13 0 "[ . 1 . 2]" 1
999 1 51 LYS HA 1 51 LYS QD 5.140 . 5.140 3.816 2.290 3.997 . 0 0 "[ . 1 . 2]" 1
1000 1 51 LYS HA 1 51 LYS QG 3.780 . 3.780 2.315 2.182 2.872 . 0 0 "[ . 1 . 2]" 1
1001 1 51 LYS HA 1 52 ILE H 2.830 . 2.830 2.111 2.081 2.186 . 0 0 "[ . 1 . 2]" 1
1002 1 51 LYS HA 1 52 ILE HA 5.130 . 5.130 4.378 4.362 4.408 . 0 0 "[ . 1 . 2]" 1
1003 1 51 LYS HA 1 52 ILE HB 5.500 . 5.500 4.635 4.492 4.822 . 0 0 "[ . 1 . 2]" 1
1004 1 51 LYS HA 1 52 ILE HG12 5.500 . 5.500 5.102 3.546 5.311 . 0 0 "[ . 1 . 2]" 1
1005 1 51 LYS HB2 1 51 LYS QE 4.000 . 4.000 3.732 1.824 4.198 0.198 16 0 "[ . 1 . 2]" 1
1006 1 51 LYS HB2 1 52 ILE H 4.590 . 4.590 4.424 4.337 4.538 . 0 0 "[ . 1 . 2]" 1
1007 1 51 LYS HB3 1 51 LYS QD 3.710 . 3.710 2.321 2.242 2.420 . 0 0 "[ . 1 . 2]" 1
1008 1 51 LYS HB3 1 52 ILE H 3.870 . 3.870 3.633 3.493 3.794 . 0 0 "[ . 1 . 2]" 1
1009 1 51 LYS HB3 1 52 ILE HA 4.540 . 4.540 4.519 4.262 4.636 0.096 8 0 "[ . 1 . 2]" 1
1010 1 51 LYS QD 1 51 LYS QG 2.400 . 2.400 2.076 2.007 2.092 . 0 0 "[ . 1 . 2]" 1
1011 1 51 LYS QD 1 52 ILE H 5.500 . 5.500 5.182 4.038 5.490 . 0 0 "[ . 1 . 2]" 1
1012 1 51 LYS QE 1 51 LYS QG 3.320 . 3.320 2.215 2.077 2.567 . 0 0 "[ . 1 . 2]" 1
1013 1 52 ILE H 1 52 ILE HB 3.470 . 3.470 2.610 2.511 2.751 . 0 0 "[ . 1 . 2]" 1
1014 1 52 ILE H 1 52 ILE MD 5.300 . 5.300 3.876 3.382 4.088 . 0 0 "[ . 1 . 2]" 1
1015 1 52 ILE H 1 52 ILE HG13 4.360 . 4.360 2.738 2.551 3.658 . 0 0 "[ . 1 . 2]" 1
1016 1 52 ILE H 1 52 ILE MG 4.570 . 4.570 3.834 3.791 3.874 . 0 0 "[ . 1 . 2]" 1
1017 1 52 ILE H 1 53 ILE H 4.340 . 4.340 4.305 4.041 4.407 0.067 15 0 "[ . 1 . 2]" 1
1018 1 52 ILE H 1 53 ILE HA 5.220 . 5.220 4.805 4.670 4.918 . 0 0 "[ . 1 . 2]" 1
1019 1 52 ILE H 1 53 ILE MD 4.450 . 4.450 4.002 3.698 4.323 . 0 0 "[ . 1 . 2]" 1
1020 1 52 ILE HA 1 52 ILE MD 4.590 . 4.590 3.786 2.460 3.876 . 0 0 "[ . 1 . 2]" 1
1021 1 52 ILE HA 1 52 ILE MG 3.580 . 3.580 2.391 2.279 2.448 . 0 0 "[ . 1 . 2]" 1
1022 1 52 ILE HA 1 53 ILE H 2.990 . 2.990 2.176 2.141 2.230 . 0 0 "[ . 1 . 2]" 1
1023 1 52 ILE HA 1 53 ILE HB 4.930 . 4.930 4.550 4.319 4.767 . 0 0 "[ . 1 . 2]" 1
1024 1 52 ILE HA 1 53 ILE HG13 5.500 . 5.500 5.194 4.628 5.545 0.045 7 0 "[ . 1 . 2]" 1
1025 1 52 ILE HB 1 53 ILE H 4.920 . 4.920 4.205 3.948 4.412 . 0 0 "[ . 1 . 2]" 1
1026 1 52 ILE HB 1 53 ILE MD 5.500 . 5.500 5.021 4.778 5.190 . 0 0 "[ . 1 . 2]" 1
1027 1 52 ILE MD 1 52 ILE MG 3.650 . 3.650 1.971 1.912 2.036 . 0 0 "[ . 1 . 2]" 1
1028 1 52 ILE MD 1 53 ILE H 5.500 . 5.500 5.165 4.305 5.488 . 0 0 "[ . 1 . 2]" 1
1029 1 52 ILE HG12 1 52 ILE MG 2.460 . 2.460 2.404 2.333 3.202 0.742 4 1 "[ +. 1 . 2]" 1
1030 1 52 ILE HG13 1 53 ILE H 5.500 . 5.500 5.089 4.960 5.724 0.224 4 0 "[ . 1 . 2]" 1
1031 1 52 ILE MG 1 53 ILE H 3.950 . 3.950 2.797 2.377 3.280 . 0 0 "[ . 1 . 2]" 1
1032 1 52 ILE MG 1 53 ILE HA 5.500 . 5.500 4.031 3.843 4.301 . 0 0 "[ . 1 . 2]" 1
1033 1 52 ILE MG 1 53 ILE MD 4.310 . 4.310 4.187 3.880 4.468 0.158 7 0 "[ . 1 . 2]" 1
1034 1 52 ILE MG 1 54 MET H 5.500 . 5.500 4.445 4.113 4.788 . 0 0 "[ . 1 . 2]" 1
1035 1 52 ILE MG 1 54 MET HA 5.500 . 5.500 4.007 3.577 4.568 . 0 0 "[ . 1 . 2]" 1
1036 1 53 ILE H 1 53 ILE HB 3.210 . 3.210 2.456 2.280 2.664 . 0 0 "[ . 1 . 2]" 1
1037 1 53 ILE H 1 53 ILE MD 4.230 . 4.230 2.303 1.756 3.475 . 0 0 "[ . 1 . 2]" 1
1038 1 53 ILE H 1 53 ILE HG12 4.680 . 4.680 3.914 2.403 4.354 . 0 0 "[ . 1 . 2]" 1
1039 1 53 ILE H 1 53 ILE HG13 4.130 . 4.130 3.737 3.366 4.297 0.167 19 0 "[ . 1 . 2]" 1
1040 1 53 ILE H 1 54 MET H 5.170 . 5.170 4.461 4.252 4.555 . 0 0 "[ . 1 . 2]" 1
1041 1 53 ILE HA 1 53 ILE MD 4.240 . 4.240 2.806 1.791 3.209 . 0 0 "[ . 1 . 2]" 1
1042 1 53 ILE HA 1 53 ILE HG12 4.130 . 4.130 3.546 3.130 3.636 . 0 0 "[ . 1 . 2]" 1
1043 1 53 ILE HA 1 53 ILE HG13 3.970 . 3.970 2.549 2.290 3.707 . 0 0 "[ . 1 . 2]" 1
1044 1 53 ILE HA 1 53 ILE MG 3.410 . 3.410 2.500 2.368 2.637 . 0 0 "[ . 1 . 2]" 1
1045 1 53 ILE HA 1 54 MET H 2.910 . 2.910 2.132 2.061 2.191 . 0 0 "[ . 1 . 2]" 1
1046 1 53 ILE HA 1 54 MET QB 4.760 . 4.760 4.056 3.897 4.425 . 0 0 "[ . 1 . 2]" 1
1047 1 53 ILE HB 1 53 ILE MD 3.730 . 3.730 2.483 2.322 3.225 . 0 0 "[ . 1 . 2]" 1
1048 1 53 ILE HB 1 54 MET H 4.730 . 4.730 4.232 3.974 4.380 . 0 0 "[ . 1 . 2]" 1
1049 1 53 ILE HG12 1 54 MET H 5.200 . 5.200 5.143 4.876 5.262 0.062 18 0 "[ . 1 . 2]" 1
1050 1 53 ILE HG13 1 53 ILE MG 3.700 . 3.700 2.496 2.254 2.598 . 0 0 "[ . 1 . 2]" 1
1051 1 53 ILE HG13 1 54 MET H 5.340 . 5.340 4.302 3.763 5.307 . 0 0 "[ . 1 . 2]" 1
1052 1 53 ILE MG 1 54 MET H 3.740 . 3.740 2.657 2.399 2.888 . 0 0 "[ . 1 . 2]" 1
1053 1 53 ILE MG 1 54 MET QB 4.970 . 4.970 3.808 3.599 4.103 . 0 0 "[ . 1 . 2]" 1
1054 1 53 ILE MG 1 57 ASN QD 5.500 . 5.500 5.087 4.124 5.402 . 0 0 "[ . 1 . 2]" 1
1055 1 54 MET H 1 54 MET QB . . 3.350 2.244 2.087 2.447 . 0 0 "[ . 1 . 2]" 1
1056 1 54 MET HA 1 54 MET ME 4.880 . 4.880 3.978 2.438 4.447 . 0 0 "[ . 1 . 2]" 1
1057 1 54 MET HA 1 58 GLU QB 3.810 . 3.810 3.049 2.328 3.712 . 0 0 "[ . 1 . 2]" 1
1058 1 54 MET HA 1 58 GLU QG 5.240 . 5.240 3.804 1.604 4.952 . 0 0 "[ . 1 . 2]" 1
1059 1 54 MET ME 1 54 MET QG 3.150 . 3.150 2.227 2.153 2.398 . 0 0 "[ . 1 . 2]" 1
1060 1 54 MET QG 1 58 GLU HA 5.500 . 5.500 5.172 4.629 5.420 . 0 0 "[ . 1 . 2]" 1
1061 1 57 ASN H 1 58 GLU H 4.900 . 4.900 2.425 1.956 2.716 . 0 0 "[ . 1 . 2]" 1
1062 1 57 ASN H 1 58 GLU HA 5.390 . 5.390 5.049 4.699 5.322 . 0 0 "[ . 1 . 2]" 1
1063 1 57 ASN H 1 59 ILE H 5.500 . 5.500 4.989 3.578 5.693 0.193 2 0 "[ . 1 . 2]" 1
1064 1 57 ASN HA 1 59 ILE H 5.500 . 5.500 4.799 3.543 5.695 0.195 13 0 "[ . 1 . 2]" 1
1065 1 57 ASN HB2 1 58 GLU H 4.720 . 4.720 4.123 3.496 4.382 . 0 0 "[ . 1 . 2]" 1
1066 1 57 ASN HB3 1 58 GLU H 4.830 . 4.830 4.276 3.133 4.536 . 0 0 "[ . 1 . 2]" 1
1067 1 57 ASN QD 1 58 GLU H 5.500 . 5.500 3.229 2.268 4.450 . 0 0 "[ . 1 . 2]" 1
1068 1 57 ASN QD 1 58 GLU HA 5.270 . 5.270 4.003 3.403 4.780 . 0 0 "[ . 1 . 2]" 1
1069 1 58 GLU H 1 59 ILE HA 4.440 . 4.440 4.372 4.085 4.555 0.115 10 0 "[ . 1 . 2]" 1
1070 1 58 GLU H 1 59 ILE HB 5.500 . 5.500 4.956 3.688 5.698 0.198 13 0 "[ . 1 . 2]" 1
1071 1 58 GLU HA 1 59 ILE MG 5.460 . 5.460 4.950 3.868 5.686 0.226 3 0 "[ . 1 . 2]" 1
1072 1 58 GLU QB 1 59 ILE H 4.670 . 4.670 3.582 2.170 4.004 . 0 0 "[ . 1 . 2]" 1
1073 1 58 GLU QG 1 59 ILE HA 5.500 . 5.500 4.805 3.874 5.514 0.014 15 0 "[ . 1 . 2]" 1
1074 1 59 ILE H 1 59 ILE HB 3.740 . 3.740 2.995 2.414 3.738 . 0 0 "[ . 1 . 2]" 1
1075 1 59 ILE H 1 59 ILE HG12 4.490 . 4.490 3.303 1.811 4.596 0.106 7 0 "[ . 1 . 2]" 1
1076 1 59 ILE H 1 59 ILE HG13 4.330 . 4.330 3.803 2.690 4.630 0.300 5 0 "[ . 1 . 2]" 1
1077 1 59 ILE H 1 59 ILE MG 4.520 . 4.520 3.139 2.077 4.103 . 0 0 "[ . 1 . 2]" 1
1078 1 59 ILE HA 1 60 PHE HA 5.120 . 5.120 4.542 4.227 4.846 . 0 0 "[ . 1 . 2]" 1
1079 1 59 ILE HB 1 60 PHE H 4.650 . 4.650 3.222 1.647 4.469 . 0 0 "[ . 1 . 2]" 1
1080 1 59 ILE MD 1 59 ILE MG 2.600 . 2.600 1.960 1.894 2.030 . 0 0 "[ . 1 . 2]" 1
1081 1 59 ILE HG12 1 60 PHE H 5.500 . 5.500 3.983 1.684 5.173 . 0 0 "[ . 1 . 2]" 1
1082 1 59 ILE MG 1 60 PHE H 4.730 . 4.730 3.083 1.481 4.025 . 0 0 "[ . 1 . 2]" 1
1083 1 59 ILE MG 1 60 PHE HA 5.380 . 5.380 3.924 3.027 5.412 0.032 15 0 "[ . 1 . 2]" 1
1084 1 59 ILE MG 1 60 PHE HB2 5.500 . 5.500 4.156 2.333 5.558 0.058 16 0 "[ . 1 . 2]" 1
1085 1 59 ILE MG 1 60 PHE HB3 5.500 . 5.500 4.706 2.591 5.609 0.109 1 0 "[ . 1 . 2]" 1
1086 1 60 PHE H 1 60 PHE HB3 4.060 . 4.060 2.577 2.361 2.865 . 0 0 "[ . 1 . 2]" 1
1087 1 60 PHE H 1 60 PHE QD 5.320 . 5.320 3.890 1.939 4.303 . 0 0 "[ . 1 . 2]" 1
1088 1 60 PHE H 1 61 ARG H 4.590 . 4.590 2.539 2.062 3.042 . 0 0 "[ . 1 . 2]" 1
1089 1 60 PHE HA 1 60 PHE QD 4.180 . 4.180 2.813 2.281 3.741 . 0 0 "[ . 1 . 2]" 1
1090 1 60 PHE HB2 1 61 ARG H 5.080 . 5.080 3.792 3.313 4.355 . 0 0 "[ . 1 . 2]" 1
1091 1 60 PHE HB3 1 61 ARG H 5.300 . 5.300 2.774 1.978 4.111 . 0 0 "[ . 1 . 2]" 1
1092 1 60 PHE QE 1 62 LEU QD 6.000 . 6.000 4.806 3.434 6.053 0.053 1 0 "[ . 1 . 2]" 1
1093 1 60 PHE QE 1 66 LEU QD 6.000 . 6.000 4.064 2.133 5.598 . 0 0 "[ . 1 . 2]" 1
1094 1 60 PHE HZ 1 66 LEU QD 6.000 . 6.000 4.566 1.928 5.966 . 0 0 "[ . 1 . 2]" 1
1095 1 61 ARG H 1 61 ARG HG2 4.900 . 4.900 4.121 2.527 5.302 0.402 15 0 "[ . 1 . 2]" 1
1096 1 61 ARG H 1 61 ARG HG3 5.500 . 5.500 3.673 2.671 4.960 . 0 0 "[ . 1 . 2]" 1
1097 1 62 LEU H 1 63 ASP H 3.510 . 3.510 2.960 2.021 4.484 0.974 3 1 "[ + . 1 . 2]" 1
1098 1 62 LEU HA 1 62 LEU HB3 2.860 . 2.860 2.853 2.302 3.023 0.163 1 0 "[ . 1 . 2]" 1
1099 1 62 LEU HA 1 62 LEU QD 3.460 . 3.460 1.994 1.674 3.188 . 0 0 "[ . 1 . 2]" 1
1100 1 62 LEU HA 1 63 ASP H 3.450 . 3.450 3.127 2.058 3.552 0.102 19 0 "[ . 1 . 2]" 1
1101 1 62 LEU QD 1 63 ASP H 4.900 . 4.900 3.136 1.487 4.453 . 0 0 "[ . 1 . 2]" 1
1102 1 62 LEU QD 1 63 ASP HA 5.080 . 5.080 4.220 3.415 5.091 0.011 8 0 "[ . 1 . 2]" 1
1103 1 62 LEU QD 1 65 ALA MB 6.000 . 6.000 3.573 1.766 5.416 . 0 0 "[ . 1 . 2]" 1
1104 1 63 ASP H 1 63 ASP HB3 3.990 . 3.990 3.048 2.326 3.670 . 0 0 "[ . 1 . 2]" 1
1105 1 63 ASP H 1 64 GLU H 3.930 . 3.930 2.702 1.814 3.480 . 0 0 "[ . 1 . 2]" 1
1106 1 63 ASP HA 1 64 GLU HA 5.360 . 5.360 4.799 4.696 4.925 . 0 0 "[ . 1 . 2]" 1
1107 1 63 ASP HA 1 65 ALA H 5.090 . 5.090 4.151 3.757 4.916 . 0 0 "[ . 1 . 2]" 1
1108 1 63 ASP HA 1 66 LEU H 5.120 . 5.120 3.452 2.995 3.995 . 0 0 "[ . 1 . 2]" 1
1109 1 63 ASP HA 1 66 LEU HB2 5.440 . 5.440 3.072 2.417 4.890 . 0 0 "[ . 1 . 2]" 1
1110 1 63 ASP HA 1 66 LEU HB3 4.970 . 4.970 4.553 3.841 5.515 0.545 4 1 "[ +. 1 . 2]" 1
1111 1 63 ASP HA 1 66 LEU QD 4.660 . 4.660 2.624 1.411 4.278 . 0 0 "[ . 1 . 2]" 1
1112 1 63 ASP QB 1 64 GLU HA 5.280 . 5.280 4.142 3.723 4.533 . 0 0 "[ . 1 . 2]" 1
1113 1 63 ASP HB3 1 66 LEU H 5.500 . 5.500 5.391 4.753 5.814 0.314 16 0 "[ . 1 . 2]" 1
1114 1 64 GLU H 1 64 GLU HB3 3.550 . 3.550 3.043 2.517 3.622 0.072 18 0 "[ . 1 . 2]" 1
1115 1 64 GLU H 1 64 GLU HG3 4.480 . 4.480 3.571 1.816 4.545 0.065 13 0 "[ . 1 . 2]" 1
1116 1 64 GLU HA 1 64 GLU HG2 3.800 . 3.800 3.037 2.303 4.191 0.391 19 0 "[ . 1 . 2]" 1
1117 1 64 GLU HA 1 65 ALA MB 5.500 . 5.500 4.997 4.929 5.040 . 0 0 "[ . 1 . 2]" 1
1118 1 64 GLU HA 1 66 LEU H 5.500 . 5.500 4.111 3.734 4.467 . 0 0 "[ . 1 . 2]" 1
1119 1 64 GLU HA 1 67 ARG H 5.060 . 5.060 3.582 2.828 4.252 . 0 0 "[ . 1 . 2]" 1
1120 1 64 GLU HA 1 67 ARG QD 4.930 . 4.930 3.583 1.970 5.152 0.222 7 0 "[ . 1 . 2]" 1
1121 1 64 GLU HA 1 67 ARG QG 4.690 . 4.690 3.216 2.079 4.650 . 0 0 "[ . 1 . 2]" 1
1122 1 64 GLU HB2 1 65 ALA H 4.060 . 4.060 3.419 2.337 4.088 0.028 6 0 "[ . 1 . 2]" 1
1123 1 64 GLU HB2 1 65 ALA HA 5.440 . 5.440 4.919 3.943 5.642 0.202 11 0 "[ . 1 . 2]" 1
1124 1 64 GLU HB3 1 65 ALA HA 5.500 . 5.500 4.462 4.080 5.667 0.167 6 0 "[ . 1 . 2]" 1
1125 1 64 GLU HG3 1 65 ALA H 5.340 . 5.340 4.482 2.151 5.301 . 0 0 "[ . 1 . 2]" 1
1126 1 65 ALA H 1 65 ALA MB 3.450 . 3.450 2.253 2.193 2.316 . 0 0 "[ . 1 . 2]" 1
1127 1 65 ALA H 1 66 LEU H 3.260 . 3.260 2.488 2.201 2.723 . 0 0 "[ . 1 . 2]" 1
1128 1 65 ALA H 1 67 ARG H 5.260 . 5.260 3.992 3.566 4.497 . 0 0 "[ . 1 . 2]" 1
1129 1 65 ALA MB 1 66 LEU H 4.220 . 4.220 2.792 2.532 3.190 . 0 0 "[ . 1 . 2]" 1
1130 1 65 ALA MB 1 66 LEU HB2 4.770 . 4.770 4.573 3.984 5.201 0.431 12 0 "[ . 1 . 2]" 1
1131 1 65 ALA MB 1 66 LEU HB3 5.180 . 5.180 5.127 3.961 5.273 0.093 16 0 "[ . 1 . 2]" 1
1132 1 65 ALA MB 1 66 LEU QD 4.750 . 4.750 3.003 1.827 4.046 . 0 0 "[ . 1 . 2]" 1
1133 1 65 ALA MB 1 66 LEU HG 4.470 . 4.470 3.435 2.648 4.595 0.125 9 0 "[ . 1 . 2]" 1
1134 1 66 LEU H 1 66 LEU HB2 4.060 . 4.060 2.491 2.266 3.600 . 0 0 "[ . 1 . 2]" 1
1135 1 66 LEU H 1 66 LEU HB3 3.480 . 3.480 3.548 2.841 3.638 0.158 4 0 "[ . 1 . 2]" 1
1136 1 66 LEU H 1 66 LEU QD 4.990 . 4.990 2.886 1.929 3.355 . 0 0 "[ . 1 . 2]" 1
1137 1 66 LEU H 1 67 ARG H 3.680 . 3.680 2.367 2.031 2.593 . 0 0 "[ . 1 . 2]" 1
1138 1 66 LEU HB2 1 67 ARG H 4.260 . 4.260 3.046 2.206 4.141 . 0 0 "[ . 1 . 2]" 1
1139 1 66 LEU HB3 1 67 ARG H 4.270 . 4.270 3.907 3.085 4.329 0.059 12 0 "[ . 1 . 2]" 1
1140 1 66 LEU QD 1 67 ARG H 5.500 . 5.500 4.006 2.788 4.347 . 0 0 "[ . 1 . 2]" 1
1141 1 67 ARG H 1 67 ARG HB3 3.620 . 3.620 3.357 2.302 4.043 0.423 11 0 "[ . 1 . 2]" 1
1142 1 67 ARG H 1 67 ARG QD 5.500 . 5.500 4.083 3.192 4.657 . 0 0 "[ . 1 . 2]" 1
1143 1 67 ARG H 1 67 ARG QG 4.360 . 4.360 2.731 1.799 3.991 . 0 0 "[ . 1 . 2]" 1
1144 1 67 ARG H 1 68 LYS H 4.230 . 4.230 2.978 2.000 4.391 0.161 12 0 "[ . 1 . 2]" 1
1145 1 67 ARG HA 1 67 ARG QD 4.490 . 4.490 3.604 1.872 4.499 0.009 9 0 "[ . 1 . 2]" 1
1146 1 67 ARG HA 1 68 LYS H 3.520 . 3.520 3.083 2.219 3.557 0.037 4 0 "[ . 1 . 2]" 1
1147 1 67 ARG HB2 1 67 ARG QD 3.390 . 3.390 2.673 2.305 3.448 0.058 10 0 "[ . 1 . 2]" 1
1148 1 70 HIS HA 1 71 SER HA 4.740 . 4.740 4.410 4.274 4.660 . 0 0 "[ . 1 . 2]" 1
1149 1 70 HIS HE1 1 71 SER HA 6.000 . 6.000 5.932 5.434 6.094 0.094 6 0 "[ . 1 . 2]" 1
1150 1 71 SER QB 1 72 GLU H 5.010 . 5.010 3.026 1.799 4.056 . 0 0 "[ . 1 . 2]" 1
1151 1 71 SER QB 1 72 GLU HA 5.100 . 5.100 4.407 3.773 5.056 . 0 0 "[ . 1 . 2]" 1
1152 1 72 GLU H 1 73 GLY H 5.500 . 5.500 3.319 1.803 4.549 . 0 0 "[ . 1 . 2]" 1
1153 1 72 GLU HB2 1 72 GLU QG 2.650 . 2.650 2.275 2.144 2.406 . 0 0 "[ . 1 . 2]" 1
1154 1 73 GLY H 1 74 GLY H 5.500 . 5.500 3.013 1.553 4.393 . 0 0 "[ . 1 . 2]" 1
1155 1 73 GLY HA2 1 74 GLY QA 4.430 . 4.430 4.105 3.885 4.363 . 0 0 "[ . 1 . 2]" 1
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