NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
647368 |
6txt   |
34477 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6txt
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 625
_Distance_constraint_stats_list.Viol_count 896
_Distance_constraint_stats_list.Viol_total 1376.733
_Distance_constraint_stats_list.Viol_max 0.864
_Distance_constraint_stats_list.Viol_rms 0.0704
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0220
_Distance_constraint_stats_list.Viol_average_violations_only 0.1537
_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 2 LEU 0.000 0.000 . 0 "[ . 1]"
1 3 THR 0.000 0.000 . 0 "[ . 1]"
1 5 GLN 0.982 0.382 3 0 "[ . 1]"
1 6 LYS 1.538 0.382 3 0 "[ . 1]"
1 7 ASP 0.556 0.203 10 0 "[ . 1]"
1 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 VAL 0.000 0.000 . 0 "[ . 1]"
1 10 SER 0.000 0.000 . 0 "[ . 1]"
1 11 ASP 0.000 0.000 . 0 "[ . 1]"
1 12 THR 0.000 0.000 . 0 "[ . 1]"
1 13 GLY 4.531 0.344 10 0 "[ . 1]"
1 14 THR 0.000 0.000 . 0 "[ . 1]"
1 15 ALA 5.557 0.346 6 0 "[ . 1]"
1 16 ALA 1.246 0.279 2 0 "[ . 1]"
1 17 VAL 5.588 0.410 1 0 "[ . 1]"
1 18 VAL 1.855 0.279 2 0 "[ . 1]"
1 19 LYS 0.426 0.088 2 0 "[ . 1]"
1 20 VAL 7.027 0.395 3 0 "[ . 1]"
1 21 VAL 6.363 0.472 7 0 "[ . 1]"
1 22 GLU 1.866 0.274 5 0 "[ . 1]"
1 23 SER 0.423 0.094 8 0 "[ . 1]"
1 24 GLN 0.021 0.021 6 0 "[ . 1]"
1 25 ALA 7.725 0.472 7 0 "[ . 1]"
1 26 GLU 2.372 0.295 8 0 "[ . 1]"
1 27 LEU 4.343 0.347 9 0 "[ . 1]"
1 28 TYR 9.021 0.609 8 2 "[ . +-1]"
1 29 GLU 5.760 0.374 7 0 "[ . 1]"
1 30 LEU 2.525 0.347 9 0 "[ . 1]"
1 31 LYS 3.166 0.374 7 0 "[ . 1]"
1 32 ASN 4.589 0.609 8 2 "[ . +-1]"
1 33 THR 1.193 0.171 10 0 "[ . 1]"
1 34 ASN 0.000 0.000 . 0 "[ . 1]"
1 35 GLU 2.147 0.307 10 0 "[ . 1]"
1 36 LYS 3.951 0.327 4 0 "[ . 1]"
1 37 ALA 6.307 0.432 4 0 "[ . 1]"
1 38 SER 7.106 0.386 8 0 "[ . 1]"
1 39 LEU 5.012 0.320 1 0 "[ . 1]"
1 40 SER 0.021 0.017 9 0 "[ . 1]"
1 41 LYS 5.878 0.279 3 0 "[ . 1]"
1 42 LEU 12.323 0.448 6 0 "[ . 1]"
1 43 VAL 24.644 0.600 3 3 "[ +*. - 1]"
1 44 SER 6.134 0.600 3 3 "[ +*. - 1]"
1 45 SER 2.323 0.288 8 0 "[ . 1]"
1 46 GLY 0.407 0.116 7 0 "[ . 1]"
1 47 ASN 4.408 0.464 6 0 "[ . 1]"
1 48 ILE 3.504 0.232 3 0 "[ . 1]"
1 49 SER 1.696 0.352 8 0 "[ . 1]"
1 50 GLN 7.343 0.433 2 0 "[ . 1]"
1 51 LYS 8.691 0.464 4 0 "[ . 1]"
1 52 GLN 6.023 0.337 1 0 "[ . 1]"
1 53 ALA 9.494 0.464 4 0 "[ . 1]"
1 54 ASP 10.554 0.444 6 0 "[ . 1]"
1 55 SER 0.320 0.112 9 0 "[ . 1]"
1 56 TYR 10.738 0.435 7 0 "[ . 1]"
1 57 LYS 3.833 0.410 1 0 "[ . 1]"
1 58 ALA 5.116 0.328 8 0 "[ . 1]"
1 59 TYR 0.529 0.185 1 0 "[ . 1]"
1 60 TYR 7.127 0.387 7 0 "[ . 1]"
1 61 GLY 4.717 0.294 5 0 "[ . 1]"
1 62 LYS 0.260 0.092 6 0 "[ . 1]"
1 63 HIS 0.494 0.091 5 0 "[ . 1]"
1 64 SER 1.176 0.265 6 0 "[ . 1]"
1 65 GLY 0.000 0.000 . 0 "[ . 1]"
1 66 GLU 1.603 0.265 6 0 "[ . 1]"
1 67 THR 0.000 0.000 . 0 "[ . 1]"
1 68 GLN 10.122 0.458 5 0 "[ . 1]"
1 69 THR 0.000 0.000 . 0 "[ . 1]"
1 70 VAL 13.193 0.864 7 1 "[ . + 1]"
1 71 ALA 5.094 0.864 7 1 "[ . + 1]"
1 72 ASN 3.001 0.458 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LEU HA 1 3 THR H 5.260 . 5.260 2.517 2.134 3.554 . 0 0 "[ . 1]" 1
2 1 2 LEU HB2 1 3 THR H 5.460 . 5.460 4.131 3.854 4.309 . 0 0 "[ . 1]" 1
3 1 5 GLN HA 1 6 LYS H 5.770 . 5.770 2.291 2.148 2.531 . 0 0 "[ . 1]" 1
4 1 5 GLN HB2 1 6 LYS H 4.970 . 4.970 3.576 1.944 4.522 . 0 0 "[ . 1]" 1
5 1 5 GLN HB3 1 6 LYS HA 5.410 . 5.410 5.083 3.989 5.792 0.382 3 0 "[ . 1]" 1
6 1 5 GLN HG3 1 6 LYS HA 5.290 . 5.290 4.701 3.680 5.376 0.086 7 0 "[ . 1]" 1
7 1 6 LYS H 1 7 ASP HB2 5.300 . 5.300 5.192 4.938 5.455 0.155 5 0 "[ . 1]" 1
8 1 6 LYS HA 1 7 ASP H 4.390 . 4.390 2.708 2.181 3.522 . 0 0 "[ . 1]" 1
9 1 6 LYS HA 1 7 ASP HB3 4.800 . 4.800 4.606 4.406 5.003 0.203 10 0 "[ . 1]" 1
10 1 6 LYS HB2 1 7 ASP H 5.400 . 5.400 3.654 2.621 4.486 . 0 0 "[ . 1]" 1
11 1 6 LYS HB3 1 7 ASP H 5.400 . 5.400 3.673 1.889 4.660 . 0 0 "[ . 1]" 1
12 1 7 ASP HA 1 8 ALA H 4.560 . 4.560 2.937 2.135 3.581 . 0 0 "[ . 1]" 1
13 1 7 ASP HB2 1 8 ALA H 5.570 . 5.570 4.136 3.498 4.631 . 0 0 "[ . 1]" 1
14 1 8 ALA HA 1 9 VAL H 4.210 . 4.210 2.728 2.187 3.558 . 0 0 "[ . 1]" 1
15 1 8 ALA MB 1 9 VAL H 5.320 . 5.320 2.576 1.976 2.968 . 0 0 "[ . 1]" 1
16 1 9 VAL HA 1 9 VAL MG1 3.660 . 3.660 2.596 2.275 3.194 . 0 0 "[ . 1]" 1
17 1 9 VAL HA 1 10 SER H 4.900 . 4.900 2.829 2.162 3.554 . 0 0 "[ . 1]" 1
18 1 9 VAL HB 1 10 SER H 5.590 . 5.590 3.633 2.413 4.469 . 0 0 "[ . 1]" 1
19 1 10 SER HA 1 11 ASP H 5.380 . 5.380 2.564 2.144 3.537 . 0 0 "[ . 1]" 1
20 1 10 SER HB2 1 11 ASP H 5.770 . 5.770 3.503 2.489 4.625 . 0 0 "[ . 1]" 1
21 1 11 ASP HA 1 12 THR H 5.060 . 5.060 2.557 2.169 3.539 . 0 0 "[ . 1]" 1
22 1 11 ASP HB3 1 12 THR H 5.570 . 5.570 3.315 2.147 4.379 . 0 0 "[ . 1]" 1
23 1 12 THR HA 1 13 GLY H 5.530 . 5.530 2.725 2.165 3.568 . 0 0 "[ . 1]" 1
24 1 12 THR HB 1 13 GLY H 5.530 . 5.530 3.645 2.481 4.401 . 0 0 "[ . 1]" 1
25 1 13 GLY HA2 1 15 ALA H 4.230 . 4.230 3.601 3.215 4.059 . 0 0 "[ . 1]" 1
26 1 13 GLY HA2 1 17 VAL H 3.940 . 3.940 4.092 3.952 4.266 0.326 6 0 "[ . 1]" 1
27 1 13 GLY HA3 1 15 ALA H 4.230 . 4.230 4.465 4.318 4.574 0.344 10 0 "[ . 1]" 1
28 1 13 GLY HA3 1 17 VAL H 3.940 . 3.940 3.807 3.191 4.136 0.196 4 0 "[ . 1]" 1
29 1 14 THR HA 1 15 ALA H 4.520 . 4.520 3.528 3.494 3.570 . 0 0 "[ . 1]" 1
30 1 14 THR HA 1 17 VAL H 5.330 . 5.330 3.543 3.375 3.653 . 0 0 "[ . 1]" 1
31 1 14 THR HA 1 17 VAL MG1 5.080 . 5.080 2.859 2.012 3.946 . 0 0 "[ . 1]" 1
32 1 14 THR MG 1 15 ALA H 4.740 . 4.740 3.356 1.856 3.790 . 0 0 "[ . 1]" 1
33 1 15 ALA H 1 16 ALA HA 5.080 . 5.080 5.099 5.038 5.152 0.072 10 0 "[ . 1]" 1
34 1 15 ALA H 1 18 VAL H 5.540 . 5.540 5.036 4.753 5.482 . 0 0 "[ . 1]" 1
35 1 15 ALA HA 1 16 ALA H 4.730 . 4.730 3.477 3.454 3.493 . 0 0 "[ . 1]" 1
36 1 15 ALA HA 1 17 VAL H 3.940 . 3.940 4.199 4.101 4.286 0.346 6 0 "[ . 1]" 1
37 1 15 ALA HA 1 18 VAL H 3.980 . 3.980 3.535 3.379 3.833 . 0 0 "[ . 1]" 1
38 1 15 ALA MB 1 18 VAL H 4.530 . 4.530 4.550 4.454 4.666 0.136 4 0 "[ . 1]" 1
39 1 16 ALA H 1 18 VAL H 5.540 . 5.540 4.161 4.013 4.412 . 0 0 "[ . 1]" 1
40 1 16 ALA HA 1 17 VAL H 4.730 . 4.730 3.514 3.447 3.551 . 0 0 "[ . 1]" 1
41 1 16 ALA HA 1 18 VAL H 3.980 . 3.980 4.054 3.819 4.259 0.279 2 0 "[ . 1]" 1
42 1 16 ALA MB 1 17 VAL H 4.580 . 4.580 2.608 2.561 2.645 . 0 0 "[ . 1]" 1
43 1 16 ALA MB 1 18 VAL H 4.840 . 4.840 4.419 4.344 4.537 . 0 0 "[ . 1]" 1
44 1 17 VAL H 1 17 VAL HB 4.200 . 4.200 2.466 2.215 2.688 . 0 0 "[ . 1]" 1
45 1 17 VAL H 1 17 VAL MG2 4.430 . 4.430 3.473 2.243 3.855 . 0 0 "[ . 1]" 1
46 1 17 VAL H 1 18 VAL H 4.780 . 4.780 2.685 2.565 2.860 . 0 0 "[ . 1]" 1
47 1 17 VAL H 1 19 LYS H 5.300 . 5.300 4.302 4.117 4.380 . 0 0 "[ . 1]" 1
48 1 17 VAL HA 1 20 VAL MG2 3.730 . 3.730 2.014 1.855 2.809 . 0 0 "[ . 1]" 1
49 1 17 VAL HB 1 18 VAL H 5.480 . 5.480 3.633 2.336 4.127 . 0 0 "[ . 1]" 1
50 1 17 VAL MG1 1 56 TYR H 4.500 . 4.500 3.574 2.523 4.372 . 0 0 "[ . 1]" 1
51 1 17 VAL MG1 1 56 TYR HA 3.890 . 3.890 2.741 1.980 3.469 . 0 0 "[ . 1]" 1
52 1 17 VAL MG2 1 18 VAL H 4.420 . 4.420 3.902 3.728 4.173 . 0 0 "[ . 1]" 1
53 1 17 VAL MG2 1 56 TYR H 4.680 . 4.680 2.861 2.149 4.237 . 0 0 "[ . 1]" 1
54 1 17 VAL MG2 1 56 TYR HB2 5.130 . 5.130 3.067 2.085 5.130 0.000 2 0 "[ . 1]" 1
55 1 17 VAL MG2 1 57 LYS H 5.080 . 5.080 4.779 4.182 5.490 0.410 1 0 "[ . 1]" 1
56 1 18 VAL H 1 18 VAL HB 4.100 . 4.100 2.419 2.372 2.456 . 0 0 "[ . 1]" 1
57 1 18 VAL H 1 18 VAL MG1 4.420 . 4.420 3.748 3.728 3.765 . 0 0 "[ . 1]" 1
58 1 18 VAL H 1 18 VAL MG2 4.270 . 4.270 2.280 2.202 2.378 . 0 0 "[ . 1]" 1
59 1 18 VAL H 1 19 LYS H 4.480 . 4.480 2.604 2.432 2.793 . 0 0 "[ . 1]" 1
60 1 18 VAL H 1 20 VAL H 5.030 . 5.030 4.247 4.142 4.573 . 0 0 "[ . 1]" 1
61 1 18 VAL HA 1 21 VAL HB 4.730 . 4.730 3.775 3.418 4.483 . 0 0 "[ . 1]" 1
62 1 18 VAL MG1 1 19 LYS H 4.900 . 4.900 3.199 3.084 3.259 . 0 0 "[ . 1]" 1
63 1 18 VAL MG1 1 22 GLU HG2 5.290 . 5.290 4.000 3.377 4.331 . 0 0 "[ . 1]" 1
64 1 18 VAL MG2 1 19 LYS H 5.420 . 5.420 3.848 3.762 3.921 . 0 0 "[ . 1]" 1
65 1 18 VAL MG2 1 59 TYR H 5.890 . 5.890 5.818 5.090 6.075 0.185 1 0 "[ . 1]" 1
66 1 19 LYS H 1 19 LYS HB2 4.020 . 4.020 2.494 2.412 2.539 . 0 0 "[ . 1]" 1
67 1 19 LYS H 1 19 LYS QB 3.670 . 3.670 2.235 2.220 2.250 . 0 0 "[ . 1]" 1
68 1 19 LYS H 1 19 LYS HB3 4.020 . 4.020 2.532 2.469 2.657 . 0 0 "[ . 1]" 1
69 1 19 LYS H 1 19 LYS QG 4.700 . 4.700 3.962 3.925 4.023 . 0 0 "[ . 1]" 1
70 1 19 LYS H 1 20 VAL H 4.600 . 4.600 2.900 2.819 3.042 . 0 0 "[ . 1]" 1
71 1 19 LYS H 1 21 VAL H 5.960 . 5.960 4.721 4.483 5.004 . 0 0 "[ . 1]" 1
72 1 19 LYS HA 1 19 LYS QD 5.030 . 5.030 3.474 2.015 4.189 . 0 0 "[ . 1]" 1
73 1 19 LYS HA 1 20 VAL H 5.220 . 5.220 3.618 3.590 3.650 . 0 0 "[ . 1]" 1
74 1 19 LYS HA 1 22 GLU H 4.350 . 4.350 4.219 3.902 4.404 0.054 2 0 "[ . 1]" 1
75 1 19 LYS HA 1 22 GLU HB3 4.900 . 4.900 4.890 4.615 4.988 0.088 2 0 "[ . 1]" 1
76 1 19 LYS HB2 1 20 VAL H 4.880 . 4.880 4.017 3.938 4.110 . 0 0 "[ . 1]" 1
77 1 19 LYS HB3 1 20 VAL H 4.880 . 4.880 2.720 2.601 2.893 . 0 0 "[ . 1]" 1
78 1 19 LYS QG 1 23 SER H 5.070 . 5.070 4.529 4.278 4.814 . 0 0 "[ . 1]" 1
79 1 20 VAL H 1 22 GLU H 5.560 . 5.560 4.249 4.063 4.447 . 0 0 "[ . 1]" 1
80 1 20 VAL H 1 52 GLN HG2 4.750 . 4.750 5.017 4.931 5.086 0.336 8 0 "[ . 1]" 1
81 1 20 VAL HA 1 21 VAL H 5.240 . 5.240 3.561 3.493 3.597 . 0 0 "[ . 1]" 1
82 1 20 VAL HA 1 23 SER H 4.220 . 4.220 3.679 3.374 4.039 . 0 0 "[ . 1]" 1
83 1 20 VAL HA 1 23 SER HB2 5.010 . 5.010 3.770 2.845 4.761 . 0 0 "[ . 1]" 1
84 1 20 VAL HA 1 24 GLN H 5.270 . 5.270 3.949 3.588 4.205 . 0 0 "[ . 1]" 1
85 1 20 VAL HA 1 52 GLN HE21 3.940 . 3.940 4.060 3.656 4.261 0.321 9 0 "[ . 1]" 1
86 1 20 VAL HB 1 21 VAL H 4.960 . 4.960 3.448 3.314 3.612 . 0 0 "[ . 1]" 1
87 1 20 VAL MG1 1 21 VAL H 5.200 . 5.200 3.861 3.808 3.890 . 0 0 "[ . 1]" 1
88 1 20 VAL MG2 1 21 VAL H 5.040 . 5.040 1.842 1.799 1.924 0.001 5 0 "[ . 1]" 1
89 1 20 VAL MG2 1 52 GLN HE21 4.570 . 4.570 2.065 1.871 2.466 . 0 0 "[ . 1]" 1
90 1 20 VAL MG2 1 56 TYR H 5.080 . 5.080 5.341 5.093 5.475 0.395 3 0 "[ . 1]" 1
91 1 20 VAL MG2 1 56 TYR HB2 5.130 . 5.130 4.569 4.213 4.844 . 0 0 "[ . 1]" 1
92 1 21 VAL H 1 21 VAL MG1 4.320 . 4.320 3.777 3.731 3.816 . 0 0 "[ . 1]" 1
93 1 21 VAL H 1 22 GLU H 4.860 . 4.860 2.820 2.752 2.940 . 0 0 "[ . 1]" 1
94 1 21 VAL HA 1 22 GLU H 5.240 . 5.240 3.574 3.553 3.603 . 0 0 "[ . 1]" 1
95 1 21 VAL HA 1 23 SER H 5.620 . 5.620 4.422 4.002 4.825 . 0 0 "[ . 1]" 1
96 1 21 VAL HA 1 25 ALA H 5.020 . 5.020 3.678 3.460 3.803 . 0 0 "[ . 1]" 1
97 1 21 VAL HA 1 48 ILE MD 5.260 . 5.260 3.151 2.296 5.007 . 0 0 "[ . 1]" 1
98 1 21 VAL HA 1 48 ILE MG 4.310 . 4.310 3.089 2.215 4.079 . 0 0 "[ . 1]" 1
99 1 21 VAL HB 1 22 GLU H 5.170 . 5.170 2.656 2.558 2.822 . 0 0 "[ . 1]" 1
100 1 21 VAL HB 1 56 TYR H 5.680 . 5.680 5.396 4.682 5.745 0.065 5 0 "[ . 1]" 1
101 1 21 VAL MG1 1 25 ALA HA 4.010 . 4.010 4.355 4.191 4.482 0.472 7 0 "[ . 1]" 1
102 1 21 VAL MG1 1 39 LEU HA 5.340 . 5.340 3.649 3.273 3.922 . 0 0 "[ . 1]" 1
103 1 21 VAL MG1 1 39 LEU HG 4.200 . 4.200 3.514 3.139 4.122 . 0 0 "[ . 1]" 1
104 1 21 VAL MG1 1 53 ALA HA 4.180 . 4.180 4.145 3.894 4.365 0.185 6 0 "[ . 1]" 1
105 1 21 VAL MG1 1 56 TYR H 4.810 . 4.810 4.827 4.366 4.962 0.152 1 0 "[ . 1]" 1
106 1 21 VAL MG1 1 56 TYR HA 4.740 . 4.740 4.889 4.745 5.036 0.296 3 0 "[ . 1]" 1
107 1 21 VAL MG1 1 56 TYR HB2 4.720 . 4.720 3.023 2.542 3.294 . 0 0 "[ . 1]" 1
108 1 21 VAL MG1 1 56 TYR HB3 4.410 . 4.410 2.957 2.653 3.261 . 0 0 "[ . 1]" 1
109 1 21 VAL MG1 1 57 LYS H 5.460 . 5.460 5.241 4.865 5.583 0.123 5 0 "[ . 1]" 1
110 1 21 VAL MG1 1 70 VAL H 5.430 . 5.430 4.405 3.903 4.737 . 0 0 "[ . 1]" 1
111 1 22 GLU H 1 22 GLU HG2 . . 4.760 3.488 2.328 3.646 . 0 0 "[ . 1]" 1
112 1 22 GLU H 1 23 SER H 5.000 . 5.000 2.766 2.646 2.869 . 0 0 "[ . 1]" 1
113 1 22 GLU H 1 25 ALA MB 4.750 . 4.750 4.199 4.025 4.459 . 0 0 "[ . 1]" 1
114 1 22 GLU H 1 70 VAL MG1 5.010 . 5.010 5.098 4.913 5.284 0.274 5 0 "[ . 1]" 1
115 1 22 GLU HA 1 23 SER H 5.060 . 5.060 3.568 3.483 3.627 . 0 0 "[ . 1]" 1
116 1 22 GLU HA 1 24 GLN H 5.270 . 5.270 4.697 4.521 4.874 . 0 0 "[ . 1]" 1
117 1 22 GLU HA 1 25 ALA H 4.650 . 4.650 3.553 3.303 3.814 . 0 0 "[ . 1]" 1
118 1 22 GLU HA 1 25 ALA MB 3.990 . 3.990 2.260 2.020 2.610 . 0 0 "[ . 1]" 1
119 1 22 GLU HA 1 70 VAL MG1 4.130 . 4.130 3.745 2.749 4.189 0.059 2 0 "[ . 1]" 1
120 1 22 GLU HB2 1 23 SER H 4.760 . 4.760 2.810 2.325 3.103 . 0 0 "[ . 1]" 1
121 1 22 GLU HB2 1 23 SER HA 4.600 . 4.600 4.494 4.350 4.586 . 0 0 "[ . 1]" 1
122 1 22 GLU HB3 1 23 SER H 4.640 . 4.640 3.652 3.212 3.910 . 0 0 "[ . 1]" 1
123 1 22 GLU HG2 1 70 VAL MG1 5.760 . 5.760 4.269 3.808 4.522 . 0 0 "[ . 1]" 1
124 1 22 GLU HG3 1 70 VAL MG1 4.540 . 4.540 4.568 4.499 4.598 0.058 2 0 "[ . 1]" 1
125 1 23 SER H 1 23 SER HB2 4.000 . 4.000 2.742 2.417 3.626 . 0 0 "[ . 1]" 1
126 1 23 SER H 1 25 ALA H 5.180 . 5.180 3.878 3.620 4.169 . 0 0 "[ . 1]" 1
127 1 23 SER HA 1 24 GLN H 4.930 . 4.930 3.546 3.487 3.585 . 0 0 "[ . 1]" 1
128 1 23 SER HA 1 25 ALA H 5.780 . 5.780 4.477 4.326 4.680 . 0 0 "[ . 1]" 1
129 1 23 SER HA 1 26 GLU H 4.430 . 4.430 3.733 3.504 3.991 . 0 0 "[ . 1]" 1
130 1 23 SER HA 1 26 GLU HB2 4.360 . 4.360 3.870 3.615 4.075 . 0 0 "[ . 1]" 1
131 1 23 SER HA 1 26 GLU HB3 3.830 . 3.830 3.260 3.055 3.483 . 0 0 "[ . 1]" 1
132 1 23 SER HA 1 27 LEU H 4.490 . 4.490 4.469 4.209 4.563 0.073 2 0 "[ . 1]" 1
133 1 23 SER HB2 1 26 GLU HB3 5.710 . 5.710 5.610 5.290 5.804 0.094 8 0 "[ . 1]" 1
134 1 23 SER HB3 1 24 GLN H 4.240 . 4.240 3.111 2.316 3.852 . 0 0 "[ . 1]" 1
135 1 24 GLN H 1 24 GLN HG3 5.470 . 5.470 3.735 3.500 4.474 . 0 0 "[ . 1]" 1
136 1 24 GLN H 1 25 ALA H 4.810 . 4.810 2.564 2.500 2.637 . 0 0 "[ . 1]" 1
137 1 24 GLN H 1 26 GLU H 5.200 . 5.200 4.190 4.063 4.382 . 0 0 "[ . 1]" 1
138 1 24 GLN H 1 27 LEU H 5.330 . 5.330 4.718 4.562 4.839 . 0 0 "[ . 1]" 1
139 1 24 GLN H 1 48 ILE MG 4.710 . 4.710 4.289 3.926 4.686 . 0 0 "[ . 1]" 1
140 1 24 GLN HA 1 25 ALA H 5.270 . 5.270 3.494 3.462 3.542 . 0 0 "[ . 1]" 1
141 1 24 GLN HB3 1 25 ALA H 4.800 . 4.800 3.474 2.580 3.644 . 0 0 "[ . 1]" 1
142 1 24 GLN HB3 1 48 ILE MG 4.070 . 4.070 3.173 2.560 4.091 0.021 6 0 "[ . 1]" 1
143 1 24 GLN HG2 1 42 LEU MD1 6.430 . 6.430 4.557 2.657 5.605 . 0 0 "[ . 1]" 1
144 1 24 GLN HG2 1 48 ILE MD 6.780 . 6.780 4.775 2.759 5.515 . 0 0 "[ . 1]" 1
145 1 24 GLN HG2 1 48 ILE MG 5.580 . 5.580 2.735 1.935 3.311 . 0 0 "[ . 1]" 1
146 1 24 GLN HG3 1 27 LEU MD2 5.880 . 5.880 4.623 3.422 5.632 . 0 0 "[ . 1]" 1
147 1 24 GLN HG3 1 42 LEU MD1 7.670 . 7.670 4.566 2.083 5.379 . 0 0 "[ . 1]" 1
148 1 25 ALA H 1 26 GLU H 4.630 . 4.630 2.717 2.616 2.839 . 0 0 "[ . 1]" 1
149 1 25 ALA H 1 26 GLU HB3 5.390 . 5.390 4.880 4.799 4.999 . 0 0 "[ . 1]" 1
150 1 25 ALA H 1 27 LEU H 3.910 . 3.910 4.035 3.911 4.140 0.230 2 0 "[ . 1]" 1
151 1 25 ALA H 1 28 TYR HB3 5.430 . 5.430 5.368 5.235 5.484 0.054 8 0 "[ . 1]" 1
152 1 25 ALA H 1 37 ALA MB 5.530 . 5.530 4.785 4.194 5.642 0.112 8 0 "[ . 1]" 1
153 1 25 ALA H 1 42 LEU MD1 5.390 . 5.390 2.843 2.397 3.296 . 0 0 "[ . 1]" 1
154 1 25 ALA H 1 42 LEU MD2 5.310 . 5.310 3.643 3.295 4.018 . 0 0 "[ . 1]" 1
155 1 25 ALA HA 1 27 LEU H 4.690 . 4.690 4.415 4.313 4.520 . 0 0 "[ . 1]" 1
156 1 25 ALA HA 1 28 TYR HB2 4.120 . 4.120 3.741 3.493 4.101 . 0 0 "[ . 1]" 1
157 1 25 ALA HA 1 28 TYR HB3 4.330 . 4.330 2.960 2.735 3.177 . 0 0 "[ . 1]" 1
158 1 25 ALA HA 1 29 GLU H 5.200 . 5.200 4.072 3.839 4.393 . 0 0 "[ . 1]" 1
159 1 25 ALA HA 1 29 GLU HG3 4.330 . 4.330 4.256 3.952 4.653 0.323 10 0 "[ . 1]" 1
160 1 25 ALA HA 1 37 ALA MB 3.350 . 3.350 2.554 1.980 3.320 . 0 0 "[ . 1]" 1
161 1 25 ALA HA 1 42 LEU MD1 3.850 . 3.850 2.089 1.994 2.250 . 0 0 "[ . 1]" 1
162 1 25 ALA HA 1 70 VAL MG2 3.550 . 3.550 3.526 3.277 3.689 0.139 7 0 "[ . 1]" 1
163 1 25 ALA MB 1 26 GLU H 4.380 . 4.380 2.460 2.239 2.562 . 0 0 "[ . 1]" 1
164 1 25 ALA MB 1 26 GLU HA 5.060 . 5.060 3.753 3.653 3.820 . 0 0 "[ . 1]" 1
165 1 25 ALA MB 1 28 TYR H 4.670 . 4.670 4.570 4.466 4.697 0.027 8 0 "[ . 1]" 1
166 1 25 ALA MB 1 29 GLU H 4.500 . 4.500 4.565 4.426 4.680 0.180 7 0 "[ . 1]" 1
167 1 25 ALA MB 1 70 VAL HA 3.950 . 3.950 3.951 3.721 4.333 0.383 7 0 "[ . 1]" 1
168 1 26 GLU H 1 26 GLU HB2 3.770 . 3.770 2.549 2.486 2.593 . 0 0 "[ . 1]" 1
169 1 26 GLU H 1 26 GLU HG3 5.040 . 5.040 4.417 4.374 4.456 . 0 0 "[ . 1]" 1
170 1 26 GLU H 1 28 TYR H 3.880 . 3.880 4.078 4.007 4.175 0.295 8 0 "[ . 1]" 1
171 1 26 GLU H 1 42 LEU QD 4.540 . 4.540 4.189 4.015 4.339 . 0 0 "[ . 1]" 1
172 1 26 GLU HA 1 27 LEU H 4.160 . 4.160 3.525 3.448 3.559 . 0 0 "[ . 1]" 1
173 1 26 GLU HB3 1 27 LEU H 4.580 . 4.580 2.538 2.401 2.659 . 0 0 "[ . 1]" 1
174 1 26 GLU HB3 1 27 LEU HA 4.680 . 4.680 4.200 4.166 4.244 . 0 0 "[ . 1]" 1
175 1 26 GLU HG3 1 27 LEU H 5.140 . 5.140 4.372 3.599 4.722 . 0 0 "[ . 1]" 1
176 1 26 GLU HG3 1 27 LEU HA 5.030 . 5.030 4.633 3.572 5.081 0.051 8 0 "[ . 1]" 1
177 1 27 LEU H 1 27 LEU MD2 4.800 . 4.800 4.324 4.289 4.404 . 0 0 "[ . 1]" 1
178 1 27 LEU H 1 28 TYR H 4.660 . 4.660 2.670 2.592 2.776 . 0 0 "[ . 1]" 1
179 1 27 LEU H 1 29 GLU H 5.400 . 5.400 4.017 3.825 4.357 . 0 0 "[ . 1]" 1
180 1 27 LEU HB2 1 28 TYR H 4.740 . 4.740 3.942 3.813 3.998 . 0 0 "[ . 1]" 1
181 1 27 LEU HB3 1 28 TYR H 5.100 . 5.100 2.681 2.472 2.768 . 0 0 "[ . 1]" 1
182 1 27 LEU HG 1 30 LEU H 4.350 . 4.350 4.602 4.506 4.697 0.347 9 0 "[ . 1]" 1
183 1 28 TYR H 1 29 GLU HG3 4.420 . 4.420 4.162 3.714 4.363 . 0 0 "[ . 1]" 1
184 1 28 TYR H 1 30 LEU H 5.410 . 5.410 3.690 3.426 4.049 . 0 0 "[ . 1]" 1
185 1 28 TYR H 1 31 LYS H 6.340 . 6.340 4.538 4.381 4.861 . 0 0 "[ . 1]" 1
186 1 28 TYR H 1 32 ASN H 5.410 . 5.410 5.847 5.744 6.019 0.609 8 2 "[ . +-1]" 1
187 1 28 TYR H 1 37 ALA MB 4.670 . 4.670 3.918 3.586 4.559 . 0 0 "[ . 1]" 1
188 1 28 TYR HA 1 31 LYS HB2 4.450 . 4.450 3.110 2.580 3.623 . 0 0 "[ . 1]" 1
189 1 28 TYR HA 1 31 LYS HB3 4.450 . 4.450 2.690 2.257 3.370 . 0 0 "[ . 1]" 1
190 1 28 TYR HB2 1 29 GLU H 4.930 . 4.930 3.879 3.796 4.033 . 0 0 "[ . 1]" 1
191 1 28 TYR HB2 1 37 ALA MB 5.290 . 5.290 3.252 2.939 3.539 . 0 0 "[ . 1]" 1
192 1 28 TYR HB2 1 42 LEU MD1 4.200 . 4.200 4.197 4.094 4.308 0.108 8 0 "[ . 1]" 1
193 1 28 TYR HB2 1 42 LEU QD 4.310 . 4.310 1.964 1.917 1.998 . 0 0 "[ . 1]" 1
194 1 28 TYR HB3 1 29 GLU H 4.490 . 4.490 2.689 2.469 2.886 . 0 0 "[ . 1]" 1
195 1 28 TYR HB3 1 31 LYS H 5.550 . 5.550 5.428 5.229 5.560 0.010 3 0 "[ . 1]" 1
196 1 28 TYR HB3 1 37 ALA MB 4.420 . 4.420 2.053 1.884 2.430 . 0 0 "[ . 1]" 1
197 1 28 TYR HB3 1 38 SER H 4.880 . 4.880 4.897 4.723 5.003 0.123 10 0 "[ . 1]" 1
198 1 28 TYR HB3 1 42 LEU HA 4.750 . 4.750 4.932 4.830 5.031 0.281 6 0 "[ . 1]" 1
199 1 28 TYR HB3 1 42 LEU QD 4.170 . 4.170 2.198 2.016 2.512 . 0 0 "[ . 1]" 1
200 1 29 GLU H 1 29 GLU HG2 4.980 . 4.980 3.555 3.301 3.692 . 0 0 "[ . 1]" 1
201 1 29 GLU H 1 29 GLU HG3 . . 4.490 2.163 1.907 2.312 . 0 0 "[ . 1]" 1
202 1 29 GLU H 1 30 LEU HB2 5.460 . 5.460 5.071 4.907 5.219 . 0 0 "[ . 1]" 1
203 1 29 GLU H 1 31 LYS H 5.110 . 5.110 4.095 3.959 4.223 . 0 0 "[ . 1]" 1
204 1 29 GLU H 1 37 ALA H 5.400 . 5.400 4.283 3.697 5.323 . 0 0 "[ . 1]" 1
205 1 29 GLU H 1 37 ALA MB 4.500 . 4.500 3.112 2.818 3.747 . 0 0 "[ . 1]" 1
206 1 29 GLU HA 1 37 ALA H 4.740 . 4.740 3.743 3.286 4.755 0.015 8 0 "[ . 1]" 1
207 1 29 GLU HA 1 37 ALA MB 4.620 . 4.620 3.779 3.198 4.201 . 0 0 "[ . 1]" 1
208 1 29 GLU HB2 1 30 LEU H 5.640 . 5.640 3.126 2.651 4.102 . 0 0 "[ . 1]" 1
209 1 29 GLU HB2 1 31 LYS H 5.450 . 5.450 5.228 4.958 5.700 0.250 10 0 "[ . 1]" 1
210 1 29 GLU HB2 1 37 ALA H 5.260 . 5.260 4.526 3.544 5.294 0.034 8 0 "[ . 1]" 1
211 1 29 GLU HB3 1 36 LYS HA 4.980 . 4.980 3.896 2.076 4.725 . 0 0 "[ . 1]" 1
212 1 29 GLU HB3 1 37 ALA H 5.230 . 5.230 4.025 1.944 5.105 . 0 0 "[ . 1]" 1
213 1 29 GLU HG2 1 37 ALA H 4.070 . 4.070 2.524 1.949 3.612 . 0 0 "[ . 1]" 1
214 1 29 GLU HG2 1 37 ALA MB 4.480 . 4.480 3.415 2.842 4.073 . 0 0 "[ . 1]" 1
215 1 29 GLU HG3 1 31 LYS H 5.550 . 5.550 5.702 4.952 5.924 0.374 7 0 "[ . 1]" 1
216 1 29 GLU HG3 1 33 THR HA 5.410 . 5.410 5.507 5.392 5.581 0.171 10 0 "[ . 1]" 1
217 1 29 GLU HG3 1 37 ALA H 4.080 . 4.080 2.781 2.079 4.087 0.007 3 0 "[ . 1]" 1
218 1 29 GLU HG3 1 37 ALA MB 3.950 . 3.950 2.550 2.034 3.842 . 0 0 "[ . 1]" 1
219 1 30 LEU H 1 30 LEU QD 4.970 . 4.970 3.723 3.673 3.764 . 0 0 "[ . 1]" 1
220 1 30 LEU H 1 30 LEU HG 5.220 . 5.220 4.424 4.406 4.451 . 0 0 "[ . 1]" 1
221 1 30 LEU H 1 31 LYS H 4.020 . 4.020 2.488 2.224 2.617 . 0 0 "[ . 1]" 1
222 1 30 LEU H 1 31 LYS HB2 5.020 . 5.020 4.893 4.636 5.001 . 0 0 "[ . 1]" 1
223 1 30 LEU H 1 31 LYS HB3 5.020 . 5.020 4.637 4.334 4.856 . 0 0 "[ . 1]" 1
224 1 30 LEU HA 1 30 LEU QD 4.010 . 4.010 2.014 2.010 2.017 . 0 0 "[ . 1]" 1
225 1 30 LEU HB2 1 31 LYS H 4.840 . 4.840 3.753 3.671 3.829 . 0 0 "[ . 1]" 1
226 1 30 LEU HB3 1 31 LYS HA 5.170 . 5.170 4.202 4.152 4.235 . 0 0 "[ . 1]" 1
227 1 30 LEU HG 1 31 LYS HA 4.270 . 4.270 3.684 3.640 3.829 . 0 0 "[ . 1]" 1
228 1 31 LYS H 1 31 LYS HB2 4.400 . 4.400 2.555 2.516 2.574 . 0 0 "[ . 1]" 1
229 1 31 LYS H 1 31 LYS QB 3.710 . 3.710 2.301 2.276 2.317 . 0 0 "[ . 1]" 1
230 1 31 LYS H 1 31 LYS HB3 4.400 . 4.400 2.614 2.583 2.634 . 0 0 "[ . 1]" 1
231 1 31 LYS H 1 31 LYS HG3 . . 5.330 4.452 4.429 4.481 . 0 0 "[ . 1]" 1
232 1 31 LYS H 1 32 ASN H 4.020 . 4.020 2.777 2.663 2.912 . 0 0 "[ . 1]" 1
233 1 31 LYS HA 1 31 LYS HD3 5.500 . 5.500 4.292 2.758 4.795 . 0 0 "[ . 1]" 1
234 1 31 LYS HA 1 31 LYS HG2 3.980 . 3.980 3.190 3.022 3.742 . 0 0 "[ . 1]" 1
235 1 31 LYS HA 1 32 ASN H 5.100 . 5.100 3.546 3.531 3.581 . 0 0 "[ . 1]" 1
236 1 31 LYS HB2 1 32 ASN H 5.020 . 5.020 3.776 3.741 3.851 . 0 0 "[ . 1]" 1
237 1 31 LYS HB3 1 32 ASN H 5.020 . 5.020 2.432 2.391 2.513 . 0 0 "[ . 1]" 1
238 1 32 ASN H 1 32 ASN HD21 5.560 . 5.560 4.334 3.997 4.601 . 0 0 "[ . 1]" 1
239 1 32 ASN H 1 32 ASN HD22 5.230 . 5.230 4.834 4.233 5.138 . 0 0 "[ . 1]" 1
240 1 32 ASN H 1 33 THR HA 5.100 . 5.100 4.543 4.446 4.676 . 0 0 "[ . 1]" 1
241 1 32 ASN HA 1 34 ASN H 4.270 . 4.270 3.591 3.297 3.876 . 0 0 "[ . 1]" 1
242 1 32 ASN HA 1 35 GLU H 5.020 . 5.020 4.749 4.248 5.091 0.071 3 0 "[ . 1]" 1
243 1 32 ASN HB3 1 34 ASN H 4.700 . 4.700 3.474 2.990 4.177 . 0 0 "[ . 1]" 1
244 1 32 ASN HB3 1 35 GLU H 3.470 . 3.470 3.156 2.840 3.542 0.072 10 0 "[ . 1]" 1
245 1 33 THR HA 1 34 ASN H 4.220 . 4.220 3.482 3.345 3.564 . 0 0 "[ . 1]" 1
246 1 33 THR HA 1 35 GLU H 4.250 . 4.250 4.112 3.581 4.328 0.078 2 0 "[ . 1]" 1
247 1 33 THR MG 1 34 ASN H 5.330 . 5.330 3.459 2.532 4.164 . 0 0 "[ . 1]" 1
248 1 34 ASN H 1 35 GLU H 4.560 . 4.560 2.658 2.405 2.804 . 0 0 "[ . 1]" 1
249 1 34 ASN HB2 1 35 GLU H 5.100 . 5.100 3.318 2.583 3.854 . 0 0 "[ . 1]" 1
250 1 34 ASN HB3 1 35 GLU HG2 5.470 . 5.470 3.835 2.628 4.495 . 0 0 "[ . 1]" 1
251 1 34 ASN HB3 1 35 GLU HG3 5.470 . 5.470 3.744 2.708 5.272 . 0 0 "[ . 1]" 1
252 1 35 GLU H 1 35 GLU HG2 4.160 . 4.160 3.273 2.206 3.973 . 0 0 "[ . 1]" 1
253 1 35 GLU H 1 35 GLU HG3 . . 4.160 3.095 2.590 3.968 . 0 0 "[ . 1]" 1
254 1 35 GLU HA 1 36 LYS H 3.670 . 3.670 2.472 2.252 2.856 . 0 0 "[ . 1]" 1
255 1 35 GLU HB2 1 37 ALA H 5.230 . 5.230 5.402 5.245 5.537 0.307 10 0 "[ . 1]" 1
256 1 35 GLU HG2 1 36 LYS H 5.480 . 5.480 4.345 3.860 5.030 . 0 0 "[ . 1]" 1
257 1 35 GLU HG3 1 36 LYS H 5.480 . 5.480 4.707 3.914 5.157 . 0 0 "[ . 1]" 1
258 1 36 LYS H 1 36 LYS HB2 4.380 . 4.380 2.436 2.187 2.714 . 0 0 "[ . 1]" 1
259 1 36 LYS H 1 36 LYS HB3 4.220 . 4.220 3.583 3.425 3.794 . 0 0 "[ . 1]" 1
260 1 36 LYS H 1 36 LYS QD 4.220 . 4.220 3.477 2.504 4.035 . 0 0 "[ . 1]" 1
261 1 36 LYS H 1 36 LYS HG2 5.240 . 5.240 3.859 2.403 4.818 . 0 0 "[ . 1]" 1
262 1 36 LYS H 1 36 LYS QG 4.630 . 4.630 3.136 2.377 4.070 . 0 0 "[ . 1]" 1
263 1 36 LYS H 1 36 LYS HG3 5.240 . 5.240 3.588 2.577 4.471 . 0 0 "[ . 1]" 1
264 1 36 LYS H 1 71 ALA H 5.290 . 5.290 5.520 5.353 5.617 0.327 4 0 "[ . 1]" 1
265 1 36 LYS HA 1 36 LYS QD 4.360 . 4.360 2.975 2.010 4.121 . 0 0 "[ . 1]" 1
266 1 36 LYS HA 1 37 ALA H 4.120 . 4.120 2.140 2.029 2.250 . 0 0 "[ . 1]" 1
267 1 36 LYS HB2 1 37 ALA H 4.870 . 4.870 4.189 3.906 4.510 . 0 0 "[ . 1]" 1
268 1 36 LYS HB3 1 37 ALA H 5.000 . 5.000 3.177 2.773 3.594 . 0 0 "[ . 1]" 1
269 1 36 LYS HB3 1 37 ALA HA 4.820 . 4.820 4.941 4.659 5.038 0.218 4 0 "[ . 1]" 1
270 1 36 LYS QD 1 37 ALA H 5.000 . 5.000 4.508 3.515 5.196 0.196 10 0 "[ . 1]" 1
271 1 36 LYS QG 1 37 ALA H 5.450 . 5.450 3.899 3.526 4.610 . 0 0 "[ . 1]" 1
272 1 37 ALA H 1 42 LEU QD 5.250 . 5.250 4.755 4.384 5.286 0.036 6 0 "[ . 1]" 1
273 1 37 ALA HA 1 38 SER H 3.950 . 3.950 2.514 2.205 2.896 . 0 0 "[ . 1]" 1
274 1 37 ALA HA 1 41 LYS HD2 5.000 . 5.000 3.130 2.084 5.040 0.040 9 0 "[ . 1]" 1
275 1 37 ALA HA 1 41 LYS HD3 4.020 . 4.020 3.131 2.668 3.912 . 0 0 "[ . 1]" 1
276 1 37 ALA HA 1 70 VAL MG2 4.410 . 4.410 3.861 3.466 4.624 0.214 7 0 "[ . 1]" 1
277 1 37 ALA MB 1 38 SER H 3.920 . 3.920 2.394 1.978 2.855 . 0 0 "[ . 1]" 1
278 1 37 ALA MB 1 70 VAL MG1 3.410 . 3.410 3.601 2.864 3.842 0.432 4 0 "[ . 1]" 1
279 1 37 ALA MB 1 70 VAL MG2 3.420 . 3.420 2.117 1.829 3.089 . 0 0 "[ . 1]" 1
280 1 38 SER H 1 38 SER HB3 3.950 . 3.950 3.412 3.188 3.802 . 0 0 "[ . 1]" 1
281 1 38 SER H 1 39 LEU H 5.650 . 5.650 4.343 4.300 4.461 . 0 0 "[ . 1]" 1
282 1 38 SER H 1 41 LYS H 4.840 . 4.840 3.355 3.153 3.639 . 0 0 "[ . 1]" 1
283 1 38 SER H 1 41 LYS HA 4.540 . 4.540 4.764 4.709 4.812 0.272 7 0 "[ . 1]" 1
284 1 38 SER H 1 41 LYS HB2 3.570 . 3.570 1.839 1.805 1.907 . 0 0 "[ . 1]" 1
285 1 38 SER H 1 41 LYS HB3 3.270 . 3.270 3.282 3.132 3.379 0.109 5 0 "[ . 1]" 1
286 1 38 SER H 1 41 LYS QE 4.880 . 4.880 4.237 3.276 4.754 . 0 0 "[ . 1]" 1
287 1 38 SER H 1 41 LYS HG2 4.960 . 4.960 4.643 4.504 4.822 . 0 0 "[ . 1]" 1
288 1 38 SER H 1 41 LYS HG3 4.960 . 4.960 3.814 3.570 4.301 . 0 0 "[ . 1]" 1
289 1 38 SER H 1 42 LEU H 4.560 . 4.560 3.081 2.617 3.566 . 0 0 "[ . 1]" 1
290 1 38 SER H 1 42 LEU HB2 5.160 . 5.160 4.878 4.308 5.238 0.078 9 0 "[ . 1]" 1
291 1 38 SER H 1 42 LEU QD 4.050 . 4.050 3.528 3.194 3.875 . 0 0 "[ . 1]" 1
292 1 38 SER H 1 70 VAL MG2 4.050 . 4.050 3.215 2.702 4.032 . 0 0 "[ . 1]" 1
293 1 38 SER HA 1 40 SER H 4.600 . 4.600 4.367 4.088 4.604 0.004 8 0 "[ . 1]" 1
294 1 38 SER HA 1 41 LYS H 4.730 . 4.730 4.357 4.127 4.466 . 0 0 "[ . 1]" 1
295 1 38 SER HA 1 70 VAL H 5.480 . 5.480 5.614 5.186 5.866 0.386 8 0 "[ . 1]" 1
296 1 38 SER HA 1 70 VAL MG2 4.200 . 4.200 1.947 1.802 2.034 . 0 0 "[ . 1]" 1
297 1 38 SER HA 1 71 ALA H 4.830 . 4.830 3.650 2.977 4.203 . 0 0 "[ . 1]" 1
298 1 38 SER HA 1 71 ALA MB 4.810 . 4.810 3.712 2.939 3.990 . 0 0 "[ . 1]" 1
299 1 38 SER HB2 1 39 LEU H 5.320 . 5.320 2.695 2.323 3.867 . 0 0 "[ . 1]" 1
300 1 38 SER HB2 1 40 SER H 3.690 . 3.690 3.179 2.990 3.707 0.017 9 0 "[ . 1]" 1
301 1 38 SER HB2 1 41 LYS H 3.710 . 3.710 3.328 2.091 3.737 0.027 2 0 "[ . 1]" 1
302 1 38 SER HB2 1 70 VAL MG2 3.860 . 3.860 4.009 3.897 4.204 0.344 4 0 "[ . 1]" 1
303 1 38 SER HB3 1 39 LEU H 5.500 . 5.500 3.642 2.934 3.977 . 0 0 "[ . 1]" 1
304 1 38 SER HB3 1 41 LYS H 4.730 . 4.730 3.829 3.132 4.145 . 0 0 "[ . 1]" 1
305 1 38 SER HB3 1 41 LYS HD2 5.000 . 5.000 3.490 2.881 4.444 . 0 0 "[ . 1]" 1
306 1 38 SER HB3 1 70 VAL MG2 4.410 . 4.410 3.768 3.643 3.935 . 0 0 "[ . 1]" 1
307 1 38 SER HB3 1 71 ALA H 4.810 . 4.810 4.657 3.897 5.060 0.250 9 0 "[ . 1]" 1
308 1 38 SER HB3 1 71 ALA MB 4.890 . 4.890 3.278 1.933 4.528 . 0 0 "[ . 1]" 1
309 1 39 LEU H 1 41 LYS H 5.760 . 5.760 4.050 3.964 4.148 . 0 0 "[ . 1]" 1
310 1 39 LEU H 1 70 VAL MG2 4.570 . 4.570 3.425 2.237 3.897 . 0 0 "[ . 1]" 1
311 1 39 LEU H 1 71 ALA H 5.950 . 5.950 5.610 4.523 6.092 0.142 3 0 "[ . 1]" 1
312 1 39 LEU H 1 71 ALA MB 5.370 . 5.370 5.223 4.614 5.500 0.130 6 0 "[ . 1]" 1
313 1 39 LEU H 1 72 ASN H 5.900 . 5.900 4.451 2.957 5.979 0.079 5 0 "[ . 1]" 1
314 1 39 LEU HA 1 39 LEU MD1 4.360 . 4.360 3.642 3.257 3.856 . 0 0 "[ . 1]" 1
315 1 39 LEU HA 1 41 LYS H 4.730 . 4.730 4.347 4.090 4.566 . 0 0 "[ . 1]" 1
316 1 39 LEU HA 1 42 LEU H 4.330 . 4.330 3.779 3.254 4.291 . 0 0 "[ . 1]" 1
317 1 39 LEU HA 1 42 LEU HB2 4.840 . 4.840 3.221 2.627 3.663 . 0 0 "[ . 1]" 1
318 1 39 LEU HA 1 43 VAL H 4.330 . 4.330 4.089 3.511 4.446 0.116 6 0 "[ . 1]" 1
319 1 39 LEU HB2 1 40 SER H 4.620 . 4.620 2.999 2.514 3.695 . 0 0 "[ . 1]" 1
320 1 39 LEU HB3 1 40 SER H 4.660 . 4.660 3.067 2.252 3.654 . 0 0 "[ . 1]" 1
321 1 39 LEU MD1 1 53 ALA HA 4.220 . 4.220 3.427 2.803 3.761 . 0 0 "[ . 1]" 1
322 1 39 LEU MD1 1 56 TYR H 4.970 . 4.970 3.498 3.251 3.692 . 0 0 "[ . 1]" 1
323 1 39 LEU MD1 1 56 TYR HB2 5.020 . 5.020 3.495 3.238 3.640 . 0 0 "[ . 1]" 1
324 1 39 LEU MD1 1 57 LYS H 5.310 . 5.310 2.069 1.971 2.150 . 0 0 "[ . 1]" 1
325 1 39 LEU MD1 1 58 ALA MB 4.980 . 4.980 5.189 5.114 5.285 0.305 1 0 "[ . 1]" 1
326 1 39 LEU HG 1 56 TYR HB2 4.910 . 4.910 4.863 4.440 5.214 0.304 8 0 "[ . 1]" 1
327 1 39 LEU HG 1 56 TYR HB3 4.750 . 4.750 3.579 3.290 3.818 . 0 0 "[ . 1]" 1
328 1 39 LEU HG 1 57 LYS H 4.600 . 4.600 4.626 4.195 4.920 0.320 1 0 "[ . 1]" 1
329 1 39 LEU HG 1 57 LYS HA 5.020 . 5.020 4.839 4.355 5.196 0.176 6 0 "[ . 1]" 1
330 1 40 SER H 1 41 LYS H 4.850 . 4.850 2.688 2.584 2.786 . 0 0 "[ . 1]" 1
331 1 40 SER H 1 41 LYS QG 4.660 . 4.660 4.453 4.299 4.640 . 0 0 "[ . 1]" 1
332 1 40 SER QB 1 41 LYS H 4.920 . 4.920 2.957 2.532 3.490 . 0 0 "[ . 1]" 1
333 1 41 LYS H 1 41 LYS HG2 5.100 . 5.100 3.665 3.529 3.925 . 0 0 "[ . 1]" 1
334 1 41 LYS H 1 41 LYS QG 3.880 . 3.880 2.401 2.266 2.623 . 0 0 "[ . 1]" 1
335 1 41 LYS H 1 41 LYS HG3 5.100 . 5.100 2.435 2.294 2.664 . 0 0 "[ . 1]" 1
336 1 41 LYS H 1 42 LEU H 4.570 . 4.570 2.758 2.487 2.897 . 0 0 "[ . 1]" 1
337 1 41 LYS H 1 42 LEU HB2 5.460 . 5.460 4.860 4.705 5.061 . 0 0 "[ . 1]" 1
338 1 41 LYS H 1 43 VAL H 3.810 . 3.810 3.957 3.878 4.064 0.254 7 0 "[ . 1]" 1
339 1 41 LYS HA 1 41 LYS QG 4.010 . 4.010 2.279 2.248 2.316 . 0 0 "[ . 1]" 1
340 1 41 LYS HA 1 42 LEU H 4.900 . 4.900 3.530 3.447 3.580 . 0 0 "[ . 1]" 1
341 1 41 LYS HA 1 43 VAL H 4.080 . 4.080 4.230 4.131 4.359 0.279 3 0 "[ . 1]" 1
342 1 41 LYS HA 1 45 SER H 5.110 . 5.110 3.740 3.488 3.950 . 0 0 "[ . 1]" 1
343 1 41 LYS QG 1 44 SER H 5.180 . 5.180 5.114 4.876 5.219 0.039 7 0 "[ . 1]" 1
344 1 41 LYS QG 1 45 SER H 5.760 . 5.760 5.424 5.163 5.649 . 0 0 "[ . 1]" 1
345 1 42 LEU H 1 42 LEU MD1 5.380 . 5.380 3.535 3.302 3.715 . 0 0 "[ . 1]" 1
346 1 42 LEU H 1 43 VAL HA 4.680 . 4.680 5.068 5.000 5.128 0.448 6 0 "[ . 1]" 1
347 1 42 LEU H 1 43 VAL HB 4.180 . 4.180 4.459 4.305 4.557 0.377 10 0 "[ . 1]" 1
348 1 42 LEU HA 1 42 LEU MD1 4.380 . 4.380 3.814 3.766 3.870 . 0 0 "[ . 1]" 1
349 1 42 LEU HA 1 43 VAL H 4.800 . 4.800 3.460 3.378 3.551 . 0 0 "[ . 1]" 1
350 1 42 LEU HA 1 45 SER H 3.780 . 3.780 3.797 3.712 3.868 0.088 7 0 "[ . 1]" 1
351 1 42 LEU HA 1 47 ASN HB3 4.700 . 4.700 4.181 3.415 4.707 0.007 1 0 "[ . 1]" 1
352 1 42 LEU HB2 1 43 VAL H 5.020 . 5.020 2.524 2.163 2.844 . 0 0 "[ . 1]" 1
353 1 42 LEU HB2 1 48 ILE MD 4.190 . 4.190 2.269 1.993 2.618 . 0 0 "[ . 1]" 1
354 1 42 LEU HB2 1 48 ILE HG12 5.060 . 5.060 3.078 2.762 3.374 . 0 0 "[ . 1]" 1
355 1 42 LEU HB2 1 48 ILE HG13 3.570 . 3.570 3.569 3.309 3.700 0.130 8 0 "[ . 1]" 1
356 1 42 LEU HB3 1 43 VAL H 5.470 . 5.470 3.576 3.325 3.762 . 0 0 "[ . 1]" 1
357 1 42 LEU HB3 1 47 ASN H 4.810 . 4.810 4.270 3.949 4.565 . 0 0 "[ . 1]" 1
358 1 42 LEU HB3 1 47 ASN HB3 7.800 . 7.800 3.315 2.530 3.646 . 0 0 "[ . 1]" 1
359 1 42 LEU HB3 1 48 ILE HG13 3.580 . 3.580 3.160 2.353 3.539 . 0 0 "[ . 1]" 1
360 1 42 LEU HB3 1 48 ILE MG 3.900 . 3.900 3.519 2.928 4.033 0.133 6 0 "[ . 1]" 1
361 1 42 LEU QD 1 45 SER H 5.420 . 5.420 5.056 4.943 5.183 . 0 0 "[ . 1]" 1
362 1 42 LEU MD1 1 43 VAL H 5.380 . 5.380 4.372 4.005 4.718 . 0 0 "[ . 1]" 1
363 1 42 LEU MD1 1 47 ASN HB3 4.290 . 4.290 4.444 4.150 4.554 0.264 2 0 "[ . 1]" 1
364 1 42 LEU MD1 1 68 GLN HE22 5.170 . 5.170 5.181 4.809 5.321 0.151 6 0 "[ . 1]" 1
365 1 43 VAL H 1 43 VAL HB 4.180 . 4.180 2.163 2.002 2.256 . 0 0 "[ . 1]" 1
366 1 43 VAL H 1 43 VAL MG1 4.420 . 4.420 2.735 2.481 3.448 . 0 0 "[ . 1]" 1
367 1 43 VAL H 1 44 SER HA 4.690 . 4.690 5.093 4.976 5.290 0.600 3 3 "[ +*. - 1]" 1
368 1 43 VAL H 1 48 ILE MD 4.920 . 4.920 3.451 2.782 3.933 . 0 0 "[ . 1]" 1
369 1 43 VAL HA 1 44 SER H 4.300 . 4.300 3.566 3.494 3.658 . 0 0 "[ . 1]" 1
370 1 43 VAL HA 1 46 GLY H 3.470 . 3.470 3.381 3.128 3.586 0.116 7 0 "[ . 1]" 1
371 1 43 VAL HA 1 47 ASN H 3.940 . 3.940 3.554 3.218 3.768 . 0 0 "[ . 1]" 1
372 1 43 VAL HA 1 48 ILE H 4.470 . 4.470 3.136 2.730 3.491 . 0 0 "[ . 1]" 1
373 1 43 VAL HA 1 48 ILE MD 5.100 . 5.100 3.412 1.947 4.045 . 0 0 "[ . 1]" 1
374 1 43 VAL HA 1 50 GLN H 5.360 . 5.360 5.282 4.823 5.787 0.427 2 0 "[ . 1]" 1
375 1 43 VAL HA 1 53 ALA MB 5.310 . 5.310 3.975 3.611 4.295 . 0 0 "[ . 1]" 1
376 1 43 VAL HB 1 44 SER H 4.200 . 4.200 3.687 3.179 3.918 . 0 0 "[ . 1]" 1
377 1 43 VAL HB 1 44 SER HA 5.280 . 5.280 5.375 4.889 5.486 0.206 10 0 "[ . 1]" 1
378 1 43 VAL HB 1 45 SER H 5.290 . 5.290 5.491 5.284 5.578 0.288 8 0 "[ . 1]" 1
379 1 43 VAL HB 1 47 ASN H 5.840 . 5.840 5.972 5.682 6.304 0.464 6 0 "[ . 1]" 1
380 1 43 VAL HB 1 53 ALA H 4.810 . 4.810 4.939 4.547 5.090 0.280 4 0 "[ . 1]" 1
381 1 43 VAL MG1 1 44 SER H 5.180 . 5.180 2.304 2.036 3.035 . 0 0 "[ . 1]" 1
382 1 43 VAL MG1 1 45 SER H 5.990 . 5.990 4.291 4.117 4.720 . 0 0 "[ . 1]" 1
383 1 43 VAL MG1 1 48 ILE H 5.730 . 5.730 5.640 5.371 5.908 0.178 10 0 "[ . 1]" 1
384 1 43 VAL MG1 1 50 GLN H 5.000 . 5.000 4.583 3.942 5.086 0.086 4 0 "[ . 1]" 1
385 1 43 VAL MG1 1 50 GLN HA 3.860 . 3.860 3.616 2.589 3.962 0.102 7 0 "[ . 1]" 1
386 1 43 VAL MG1 1 50 GLN HB2 5.030 . 5.030 4.076 3.322 4.744 . 0 0 "[ . 1]" 1
387 1 43 VAL MG1 1 50 GLN HE21 7.330 . 7.330 4.183 3.507 5.389 . 0 0 "[ . 1]" 1
388 1 43 VAL MG1 1 50 GLN HE22 7.930 . 7.930 3.609 2.254 6.599 . 0 0 "[ . 1]" 1
389 1 43 VAL MG1 1 53 ALA MB 3.560 . 3.560 2.915 2.553 3.284 . 0 0 "[ . 1]" 1
390 1 43 VAL MG1 1 54 ASP H 5.540 . 5.540 5.639 5.546 5.780 0.240 8 0 "[ . 1]" 1
391 1 43 VAL MG2 1 44 SER H 4.910 . 4.910 4.166 4.008 4.329 . 0 0 "[ . 1]" 1
392 1 43 VAL MG2 1 45 SER H 5.660 . 5.660 5.347 5.207 5.550 . 0 0 "[ . 1]" 1
393 1 43 VAL MG2 1 46 GLY H 4.670 . 4.670 4.292 4.019 4.599 . 0 0 "[ . 1]" 1
394 1 43 VAL MG2 1 48 ILE H 5.420 . 5.420 3.916 3.575 4.309 . 0 0 "[ . 1]" 1
395 1 43 VAL MG2 1 48 ILE MG 4.590 . 4.590 4.717 4.539 4.822 0.232 3 0 "[ . 1]" 1
396 1 43 VAL MG2 1 50 GLN H 4.370 . 4.370 2.763 2.226 3.466 . 0 0 "[ . 1]" 1
397 1 43 VAL MG2 1 50 GLN HB3 4.830 . 4.830 4.060 3.761 4.398 . 0 0 "[ . 1]" 1
398 1 43 VAL MG2 1 53 ALA MB 4.280 . 4.280 1.914 1.739 2.423 0.061 6 0 "[ . 1]" 1
399 1 44 SER H 1 44 SER HB2 3.310 . 3.310 2.539 2.389 2.630 . 0 0 "[ . 1]" 1
400 1 44 SER H 1 44 SER QB 3.890 . 3.890 2.302 2.236 2.376 . 0 0 "[ . 1]" 1
401 1 44 SER H 1 44 SER HB3 3.310 . 3.310 2.819 2.454 3.544 0.234 6 0 "[ . 1]" 1
402 1 44 SER H 1 46 GLY H 4.300 . 4.300 3.859 3.586 4.109 . 0 0 "[ . 1]" 1
403 1 44 SER HA 1 45 SER H 4.040 . 4.040 3.456 3.414 3.480 . 0 0 "[ . 1]" 1
404 1 44 SER HA 1 46 GLY H 3.470 . 3.470 3.337 3.300 3.388 . 0 0 "[ . 1]" 1
405 1 44 SER QB 1 45 SER H 4.540 . 4.540 2.275 2.191 2.386 . 0 0 "[ . 1]" 1
406 1 45 SER H 1 46 GLY H 4.700 . 4.700 2.943 2.774 3.065 . 0 0 "[ . 1]" 1
407 1 45 SER HA 1 46 GLY H 5.460 . 5.460 3.241 3.164 3.302 . 0 0 "[ . 1]" 1
408 1 45 SER HA 1 47 ASN H 5.320 . 5.320 4.298 4.188 4.395 . 0 0 "[ . 1]" 1
409 1 45 SER HB3 1 46 GLY H 6.220 . 6.220 4.236 3.743 4.633 . 0 0 "[ . 1]" 1
410 1 46 GLY H 1 47 ASN H 4.600 . 4.600 3.056 2.958 3.235 . 0 0 "[ . 1]" 1
411 1 46 GLY H 1 48 ILE H 5.150 . 5.150 4.529 4.413 4.880 . 0 0 "[ . 1]" 1
412 1 46 GLY HA2 1 47 ASN H 4.730 . 4.730 2.962 2.827 3.212 . 0 0 "[ . 1]" 1
413 1 46 GLY HA3 1 47 ASN H 4.800 . 4.800 3.528 3.498 3.561 . 0 0 "[ . 1]" 1
414 1 47 ASN H 1 47 ASN HD22 5.850 . 5.850 5.281 4.415 5.869 0.019 6 0 "[ . 1]" 1
415 1 47 ASN H 1 48 ILE H 4.260 . 4.260 2.309 2.188 2.527 . 0 0 "[ . 1]" 1
416 1 47 ASN HB2 1 48 ILE HG13 5.390 . 5.390 4.585 3.806 5.567 0.177 10 0 "[ . 1]" 1
417 1 47 ASN HB2 1 48 ILE MG 4.870 . 4.870 3.879 3.055 4.545 . 0 0 "[ . 1]" 1
418 1 47 ASN HB3 1 48 ILE H 5.060 . 5.060 2.736 1.956 3.482 . 0 0 "[ . 1]" 1
419 1 47 ASN HB3 1 48 ILE HG13 4.790 . 4.790 4.137 2.245 4.997 0.207 4 0 "[ . 1]" 1
420 1 48 ILE H 1 49 SER H 5.820 . 5.820 4.433 4.211 4.593 . 0 0 "[ . 1]" 1
421 1 48 ILE HA 1 49 SER H 4.300 . 4.300 2.439 2.212 2.790 . 0 0 "[ . 1]" 1
422 1 48 ILE HB 1 49 SER H 4.520 . 4.520 2.589 1.900 3.174 . 0 0 "[ . 1]" 1
423 1 48 ILE HB 1 53 ALA H 4.810 . 4.810 4.150 3.756 4.585 . 0 0 "[ . 1]" 1
424 1 48 ILE MD 1 52 GLN HA 5.180 . 5.180 4.888 4.553 5.195 0.015 6 0 "[ . 1]" 1
425 1 48 ILE MD 1 52 GLN HB3 4.760 . 4.760 2.739 2.061 3.224 . 0 0 "[ . 1]" 1
426 1 48 ILE MD 1 53 ALA H 4.030 . 4.030 3.381 2.893 4.027 . 0 0 "[ . 1]" 1
427 1 48 ILE MD 1 53 ALA MB 3.500 . 3.500 2.715 2.191 3.187 . 0 0 "[ . 1]" 1
428 1 48 ILE MG 1 49 SER H 4.700 . 4.700 3.657 3.468 3.924 . 0 0 "[ . 1]" 1
429 1 48 ILE MG 1 52 GLN HB3 4.220 . 4.220 3.561 2.872 4.004 . 0 0 "[ . 1]" 1
430 1 49 SER H 1 51 LYS H 5.340 . 5.340 4.646 3.913 5.436 0.096 8 0 "[ . 1]" 1
431 1 49 SER H 1 51 LYS HG2 4.350 . 4.350 4.280 3.781 4.702 0.352 8 0 "[ . 1]" 1
432 1 49 SER H 1 52 GLN H 4.580 . 4.580 3.725 3.334 4.076 . 0 0 "[ . 1]" 1
433 1 49 SER H 1 52 GLN HB2 3.690 . 3.690 2.640 2.070 3.021 . 0 0 "[ . 1]" 1
434 1 49 SER H 1 52 GLN HB3 4.350 . 4.350 3.417 2.364 4.126 . 0 0 "[ . 1]" 1
435 1 49 SER H 1 53 ALA H 5.340 . 5.340 4.426 4.038 5.047 . 0 0 "[ . 1]" 1
436 1 49 SER HA 1 50 GLN H 4.450 . 4.450 2.265 2.087 2.421 . 0 0 "[ . 1]" 1
437 1 49 SER HA 1 51 LYS H 5.170 . 5.170 4.155 3.767 4.810 . 0 0 "[ . 1]" 1
438 1 49 SER HA 1 53 ALA H 5.170 . 5.170 4.885 4.658 5.268 0.098 6 0 "[ . 1]" 1
439 1 49 SER HB2 1 50 GLN H 5.000 . 5.000 3.324 2.276 4.127 . 0 0 "[ . 1]" 1
440 1 49 SER HB2 1 51 LYS H 4.450 . 4.450 3.274 2.840 4.183 . 0 0 "[ . 1]" 1
441 1 49 SER HB2 1 52 GLN H 5.270 . 5.270 3.670 2.508 4.458 . 0 0 "[ . 1]" 1
442 1 49 SER HB2 1 53 ALA H 5.550 . 5.550 5.128 4.229 5.695 0.145 4 0 "[ . 1]" 1
443 1 50 GLN H 1 50 GLN HG2 5.020 . 5.020 4.445 3.762 4.664 . 0 0 "[ . 1]" 1
444 1 50 GLN H 1 50 GLN HG3 5.020 . 5.020 4.357 2.969 4.622 . 0 0 "[ . 1]" 1
445 1 50 GLN H 1 51 LYS H 5.060 . 5.060 2.984 2.808 3.118 . 0 0 "[ . 1]" 1
446 1 50 GLN H 1 52 GLN H 5.550 . 5.550 4.309 3.938 4.756 . 0 0 "[ . 1]" 1
447 1 50 GLN H 1 53 ALA H 4.220 . 4.220 4.355 4.226 4.573 0.353 6 0 "[ . 1]" 1
448 1 50 GLN H 1 53 ALA MB 5.220 . 5.220 4.078 3.393 4.797 . 0 0 "[ . 1]" 1
449 1 50 GLN HA 1 53 ALA H 3.750 . 3.750 2.884 2.575 3.124 . 0 0 "[ . 1]" 1
450 1 50 GLN HA 1 53 ALA MB 3.380 . 3.380 2.071 1.895 2.498 . 0 0 "[ . 1]" 1
451 1 50 GLN HA 1 54 ASP H 4.560 . 4.560 3.301 2.690 4.162 . 0 0 "[ . 1]" 1
452 1 50 GLN HB2 1 51 LYS H 5.450 . 5.450 3.996 3.723 4.145 . 0 0 "[ . 1]" 1
453 1 50 GLN HB2 1 53 ALA H 5.260 . 5.260 5.223 5.133 5.307 0.047 8 0 "[ . 1]" 1
454 1 50 GLN HB3 1 51 LYS H 4.990 . 4.990 3.086 2.469 3.968 . 0 0 "[ . 1]" 1
455 1 50 GLN HB3 1 53 ALA H 4.770 . 4.770 5.022 4.826 5.163 0.393 3 0 "[ . 1]" 1
456 1 50 GLN HE21 1 53 ALA MB 3.970 . 3.970 2.895 2.270 3.802 . 0 0 "[ . 1]" 1
457 1 50 GLN HE21 1 54 ASP H 4.760 . 4.760 3.522 2.304 4.474 . 0 0 "[ . 1]" 1
458 1 50 GLN HE22 1 53 ALA MB 4.790 . 4.790 3.160 2.393 4.853 0.063 6 0 "[ . 1]" 1
459 1 50 GLN HE22 1 54 ASP H 5.710 . 5.710 4.426 3.011 5.812 0.102 7 0 "[ . 1]" 1
460 1 50 GLN HG2 1 51 LYS H 5.300 . 5.300 5.066 4.034 5.486 0.186 9 0 "[ . 1]" 1
461 1 50 GLN HG2 1 54 ASP H 4.970 . 4.970 4.734 3.517 5.163 0.193 8 0 "[ . 1]" 1
462 1 50 GLN HG3 1 51 LYS H 5.300 . 5.300 4.523 3.673 5.319 0.019 7 0 "[ . 1]" 1
463 1 50 GLN HG3 1 54 ASP H 4.970 . 4.970 3.910 3.139 5.403 0.433 2 0 "[ . 1]" 1
464 1 51 LYS H 1 51 LYS HB2 . . 3.900 3.463 2.621 3.706 . 0 0 "[ . 1]" 1
465 1 51 LYS H 1 52 GLN HB3 4.960 . 4.960 5.084 4.642 5.297 0.337 1 0 "[ . 1]" 1
466 1 51 LYS H 1 54 ASP H 3.960 . 3.960 4.230 4.114 4.404 0.444 6 0 "[ . 1]" 1
467 1 51 LYS HA 1 52 GLN H 4.850 . 4.850 3.443 3.389 3.519 . 0 0 "[ . 1]" 1
468 1 51 LYS HA 1 53 ALA H 5.050 . 5.050 4.298 3.888 4.762 . 0 0 "[ . 1]" 1
469 1 51 LYS HA 1 54 ASP H 4.380 . 4.380 3.426 2.666 4.314 . 0 0 "[ . 1]" 1
470 1 51 LYS HA 1 54 ASP HB2 4.320 . 4.320 2.839 2.067 4.075 . 0 0 "[ . 1]" 1
471 1 51 LYS HA 1 55 SER H 5.230 . 5.230 4.072 3.554 4.733 . 0 0 "[ . 1]" 1
472 1 51 LYS HB3 1 53 ALA H 5.200 . 5.200 5.460 5.304 5.664 0.464 4 0 "[ . 1]" 1
473 1 52 GLN H 1 53 ALA MB 4.760 . 4.760 4.130 3.953 4.346 . 0 0 "[ . 1]" 1
474 1 52 GLN H 1 54 ASP H 4.760 . 4.760 4.029 3.850 4.331 . 0 0 "[ . 1]" 1
475 1 52 GLN HA 1 53 ALA H 4.870 . 4.870 3.555 3.495 3.632 . 0 0 "[ . 1]" 1
476 1 52 GLN HB2 1 53 ALA H 4.610 . 4.610 3.184 2.561 3.803 . 0 0 "[ . 1]" 1
477 1 53 ALA H 1 54 ASP H 4.700 . 4.700 2.684 2.156 2.874 . 0 0 "[ . 1]" 1
478 1 53 ALA H 1 55 SER H 5.130 . 5.130 4.103 3.544 4.519 . 0 0 "[ . 1]" 1
479 1 53 ALA HA 1 54 ASP H 5.470 . 5.470 3.561 3.496 3.637 . 0 0 "[ . 1]" 1
480 1 53 ALA HA 1 55 SER H 4.960 . 4.960 4.328 3.804 5.002 0.042 9 0 "[ . 1]" 1
481 1 53 ALA HA 1 56 TYR H 4.730 . 4.730 3.620 3.290 3.933 . 0 0 "[ . 1]" 1
482 1 53 ALA HA 1 56 TYR HB2 4.690 . 4.690 3.940 3.416 4.525 . 0 0 "[ . 1]" 1
483 1 53 ALA HA 1 56 TYR HB3 4.870 . 4.870 4.010 3.231 5.032 0.162 2 0 "[ . 1]" 1
484 1 53 ALA HA 1 57 LYS H 4.960 . 4.960 4.298 3.878 4.888 . 0 0 "[ . 1]" 1
485 1 53 ALA MB 1 54 ASP H 4.300 . 4.300 2.504 2.354 2.638 . 0 0 "[ . 1]" 1
486 1 53 ALA MB 1 55 SER H 5.000 . 5.000 4.466 4.135 4.861 . 0 0 "[ . 1]" 1
487 1 53 ALA MB 1 56 TYR H 5.030 . 5.030 4.696 4.442 4.879 . 0 0 "[ . 1]" 1
488 1 53 ALA MB 1 57 LYS H 5.030 . 5.030 4.676 4.303 5.078 0.048 2 0 "[ . 1]" 1
489 1 54 ASP H 1 54 ASP HB2 . . 4.380 2.407 2.329 2.462 . 0 0 "[ . 1]" 1
490 1 54 ASP H 1 55 SER H 4.640 . 4.640 2.745 2.552 3.073 . 0 0 "[ . 1]" 1
491 1 54 ASP H 1 55 SER HB2 5.520 . 5.520 4.918 4.730 5.138 . 0 0 "[ . 1]" 1
492 1 54 ASP H 1 56 TYR H 5.540 . 5.540 4.357 4.147 4.601 . 0 0 "[ . 1]" 1
493 1 54 ASP H 1 57 LYS QB 5.160 . 5.160 4.591 4.379 5.016 . 0 0 "[ . 1]" 1
494 1 54 ASP HA 1 56 TYR H 3.980 . 3.980 4.263 4.045 4.415 0.435 7 0 "[ . 1]" 1
495 1 54 ASP HA 1 57 LYS H 3.980 . 3.980 3.282 2.903 3.499 . 0 0 "[ . 1]" 1
496 1 54 ASP HA 1 57 LYS HB2 4.490 . 4.490 2.947 2.554 3.373 . 0 0 "[ . 1]" 1
497 1 54 ASP HA 1 57 LYS QB 3.750 . 3.750 2.320 2.029 2.706 . 0 0 "[ . 1]" 1
498 1 54 ASP HA 1 57 LYS HB3 4.490 . 4.490 2.439 2.129 2.850 . 0 0 "[ . 1]" 1
499 1 54 ASP HA 1 57 LYS HD2 4.650 . 4.650 3.936 3.511 4.408 . 0 0 "[ . 1]" 1
500 1 54 ASP HA 1 57 LYS QD 4.120 . 4.120 3.285 2.955 3.702 . 0 0 "[ . 1]" 1
501 1 54 ASP HA 1 57 LYS HD3 4.650 . 4.650 3.526 3.179 3.978 . 0 0 "[ . 1]" 1
502 1 54 ASP HA 1 58 ALA MB 4.720 . 4.720 4.734 4.597 5.048 0.328 8 0 "[ . 1]" 1
503 1 54 ASP HB2 1 55 SER H 4.900 . 4.900 2.877 2.505 3.284 . 0 0 "[ . 1]" 1
504 1 54 ASP HB2 1 56 TYR H 5.080 . 5.080 5.260 5.130 5.436 0.356 6 0 "[ . 1]" 1
505 1 54 ASP HB3 1 55 SER H 5.210 . 5.210 3.666 3.297 4.014 . 0 0 "[ . 1]" 1
506 1 55 SER H 1 55 SER HB3 4.390 . 4.390 3.470 2.495 3.612 . 0 0 "[ . 1]" 1
507 1 55 SER H 1 58 ALA MB 5.040 . 5.040 4.619 4.170 5.152 0.112 9 0 "[ . 1]" 1
508 1 55 SER HA 1 56 TYR H 4.910 . 4.910 3.618 3.538 3.696 . 0 0 "[ . 1]" 1
509 1 55 SER HA 1 56 TYR HA 4.750 . 4.750 4.658 4.565 4.734 . 0 0 "[ . 1]" 1
510 1 55 SER HA 1 58 ALA H 4.160 . 4.160 3.489 3.342 3.665 . 0 0 "[ . 1]" 1
511 1 55 SER HA 1 58 ALA MB 3.800 . 3.800 2.552 2.017 3.200 . 0 0 "[ . 1]" 1
512 1 55 SER HA 1 59 TYR H 5.160 . 5.160 4.814 4.541 5.057 . 0 0 "[ . 1]" 1
513 1 55 SER HB2 1 56 TYR H 4.270 . 4.270 2.935 2.661 4.071 . 0 0 "[ . 1]" 1
514 1 56 TYR H 1 56 TYR HB2 4.390 . 4.390 2.371 2.287 2.469 . 0 0 "[ . 1]" 1
515 1 56 TYR H 1 57 LYS HB2 4.740 . 4.740 4.730 4.496 4.863 0.123 5 0 "[ . 1]" 1
516 1 56 TYR H 1 57 LYS HB3 4.740 . 4.740 4.657 4.475 4.764 0.024 8 0 "[ . 1]" 1
517 1 56 TYR H 1 58 ALA MB 5.220 . 5.220 4.579 4.173 5.146 . 0 0 "[ . 1]" 1
518 1 56 TYR H 1 59 TYR H 5.300 . 5.300 4.843 4.544 5.167 . 0 0 "[ . 1]" 1
519 1 56 TYR HA 1 57 LYS H 4.560 . 4.560 3.490 3.430 3.571 . 0 0 "[ . 1]" 1
520 1 56 TYR HA 1 59 TYR H 3.620 . 3.620 3.033 2.536 3.386 . 0 0 "[ . 1]" 1
521 1 56 TYR HB2 1 57 LYS H 4.620 . 4.620 3.631 3.531 3.763 . 0 0 "[ . 1]" 1
522 1 56 TYR HB2 1 58 ALA H 5.780 . 5.780 5.397 5.039 5.845 0.065 1 0 "[ . 1]" 1
523 1 56 TYR HB3 1 57 LYS H 4.670 . 4.670 2.763 2.525 3.109 . 0 0 "[ . 1]" 1
524 1 57 LYS H 1 57 LYS QB 3.880 . 3.880 2.262 2.239 2.304 . 0 0 "[ . 1]" 1
525 1 57 LYS H 1 57 LYS HD2 5.390 . 5.390 4.924 4.894 4.994 . 0 0 "[ . 1]" 1
526 1 57 LYS H 1 57 LYS QD 5.200 . 5.200 4.411 4.391 4.452 . 0 0 "[ . 1]" 1
527 1 57 LYS H 1 57 LYS HD3 5.390 . 5.390 4.980 4.939 5.042 . 0 0 "[ . 1]" 1
528 1 57 LYS H 1 57 LYS HG2 5.040 . 5.040 4.474 4.435 4.528 . 0 0 "[ . 1]" 1
529 1 57 LYS H 1 59 TYR H 5.520 . 5.520 4.092 3.797 4.518 . 0 0 "[ . 1]" 1
530 1 57 LYS HA 1 57 LYS HD2 5.480 . 5.480 4.289 4.270 4.303 . 0 0 "[ . 1]" 1
531 1 57 LYS HA 1 57 LYS HD3 5.480 . 5.480 4.642 4.628 4.652 . 0 0 "[ . 1]" 1
532 1 57 LYS HA 1 58 ALA H 4.790 . 4.790 3.447 3.269 3.694 . 0 0 "[ . 1]" 1
533 1 57 LYS QB 1 58 ALA H 4.220 . 4.220 2.635 2.409 2.808 . 0 0 "[ . 1]" 1
534 1 57 LYS QB 1 60 TYR H 4.860 . 4.860 4.966 4.836 5.191 0.331 1 0 "[ . 1]" 1
535 1 58 ALA H 1 60 TYR H 5.090 . 5.090 4.115 3.690 4.471 . 0 0 "[ . 1]" 1
536 1 58 ALA HA 1 59 TYR H 5.350 . 5.350 3.558 3.399 3.610 . 0 0 "[ . 1]" 1
537 1 58 ALA HA 1 61 GLY H 4.220 . 4.220 3.209 3.010 3.481 . 0 0 "[ . 1]" 1
538 1 58 ALA HA 1 61 GLY HA2 4.470 . 4.470 4.660 4.505 4.764 0.294 5 0 "[ . 1]" 1
539 1 58 ALA HA 1 61 GLY HA3 4.750 . 4.750 3.078 2.916 3.312 . 0 0 "[ . 1]" 1
540 1 58 ALA MB 1 59 TYR H 5.090 . 5.090 2.727 2.218 3.312 . 0 0 "[ . 1]" 1
541 1 58 ALA MB 1 59 TYR HA 5.040 . 5.040 3.823 3.641 4.021 . 0 0 "[ . 1]" 1
542 1 58 ALA MB 1 60 TYR H 5.100 . 5.100 4.588 4.450 4.827 . 0 0 "[ . 1]" 1
543 1 58 ALA MB 1 61 GLY H 4.550 . 4.550 4.425 4.348 4.593 0.043 5 0 "[ . 1]" 1
544 1 59 TYR H 1 60 TYR H 5.030 . 5.030 2.645 2.311 3.221 . 0 0 "[ . 1]" 1
545 1 59 TYR HA 1 60 TYR H 4.400 . 4.400 3.556 3.479 3.622 . 0 0 "[ . 1]" 1
546 1 59 TYR HA 1 62 LYS H 3.960 . 3.960 3.366 3.213 3.751 . 0 0 "[ . 1]" 1
547 1 59 TYR HB2 1 60 TYR H 4.910 . 4.910 3.644 2.758 3.964 . 0 0 "[ . 1]" 1
548 1 59 TYR HB3 1 60 TYR H 5.230 . 5.230 2.776 2.496 3.628 . 0 0 "[ . 1]" 1
549 1 60 TYR H 1 61 GLY H 4.980 . 4.980 2.435 2.345 2.523 . 0 0 "[ . 1]" 1
550 1 60 TYR H 1 61 GLY HA3 4.400 . 4.400 4.609 4.532 4.678 0.278 8 0 "[ . 1]" 1
551 1 60 TYR H 1 62 LYS H 4.840 . 4.840 4.120 3.935 4.288 . 0 0 "[ . 1]" 1
552 1 60 TYR H 1 62 LYS QB 5.100 . 5.100 5.021 4.833 5.178 0.078 7 0 "[ . 1]" 1
553 1 60 TYR H 1 68 GLN H 5.090 . 5.090 5.258 4.596 5.477 0.387 7 0 "[ . 1]" 1
554 1 60 TYR H 1 68 GLN HE21 5.090 . 5.090 4.812 4.046 5.303 0.213 3 0 "[ . 1]" 1
555 1 60 TYR HA 1 63 HIS H 4.060 . 4.060 3.727 3.527 4.038 . 0 0 "[ . 1]" 1
556 1 60 TYR HA 1 63 HIS HB2 4.790 . 4.790 4.363 3.523 4.857 0.067 4 0 "[ . 1]" 1
557 1 60 TYR HA 1 68 GLN H 4.710 . 4.710 3.554 2.903 4.468 . 0 0 "[ . 1]" 1
558 1 60 TYR HA 1 68 GLN HA 5.330 . 5.330 4.934 4.436 5.452 0.122 5 0 "[ . 1]" 1
559 1 60 TYR HA 1 68 GLN HB2 5.520 . 5.520 4.877 3.735 5.664 0.144 6 0 "[ . 1]" 1
560 1 60 TYR HA 1 68 GLN HB3 5.520 . 5.520 4.524 3.346 5.774 0.254 2 0 "[ . 1]" 1
561 1 60 TYR HB2 1 61 GLY H 5.290 . 5.290 3.813 3.683 4.085 . 0 0 "[ . 1]" 1
562 1 60 TYR HB2 1 72 ASN HD22 4.120 . 4.120 2.941 1.845 3.692 . 0 0 "[ . 1]" 1
563 1 60 TYR HB3 1 72 ASN HD22 4.200 . 4.200 3.445 2.652 4.222 0.022 5 0 "[ . 1]" 1
564 1 61 GLY H 1 62 LYS H 4.700 . 4.700 2.849 2.770 2.941 . 0 0 "[ . 1]" 1
565 1 61 GLY H 1 62 LYS QB 5.460 . 5.460 4.586 4.469 4.759 . 0 0 "[ . 1]" 1
566 1 61 GLY H 1 63 HIS H 5.250 . 5.250 4.447 4.044 4.636 . 0 0 "[ . 1]" 1
567 1 61 GLY H 1 72 ASN HD22 5.750 . 5.750 5.593 4.738 6.035 0.285 5 0 "[ . 1]" 1
568 1 61 GLY HA3 1 62 LYS H 5.030 . 5.030 2.752 2.658 2.857 . 0 0 "[ . 1]" 1
569 1 62 LYS H 1 63 HIS H 4.560 . 4.560 2.849 2.738 2.958 . 0 0 "[ . 1]" 1
570 1 62 LYS HA 1 62 LYS HD2 5.350 . 5.350 3.712 2.034 4.685 . 0 0 "[ . 1]" 1
571 1 62 LYS HA 1 62 LYS HD3 5.350 . 5.350 4.070 2.873 4.816 . 0 0 "[ . 1]" 1
572 1 62 LYS HA 1 63 HIS H 5.360 . 5.360 3.552 3.345 3.618 . 0 0 "[ . 1]" 1
573 1 62 LYS QB 1 62 LYS HE2 4.060 . 4.060 3.545 2.048 4.152 0.092 6 0 "[ . 1]" 1
574 1 62 LYS HB2 1 63 HIS H 4.970 . 4.970 3.766 2.738 3.988 . 0 0 "[ . 1]" 1
575 1 63 HIS H 1 64 SER H 5.710 . 5.710 4.086 2.767 4.613 . 0 0 "[ . 1]" 1
576 1 63 HIS HA 1 64 SER H 4.720 . 4.720 2.504 2.135 3.557 . 0 0 "[ . 1]" 1
577 1 63 HIS HB2 1 66 GLU H 5.090 . 5.090 3.769 2.788 4.980 . 0 0 "[ . 1]" 1
578 1 63 HIS HB2 1 66 GLU HG3 3.410 . 3.410 3.308 2.253 3.501 0.091 5 0 "[ . 1]" 1
579 1 63 HIS HB3 1 64 SER H 5.710 . 5.710 3.164 2.053 3.894 . 0 0 "[ . 1]" 1
580 1 64 SER H 1 65 GLY H 5.630 . 5.630 3.294 1.884 4.453 . 0 0 "[ . 1]" 1
581 1 64 SER HA 1 65 GLY H 4.930 . 4.930 2.977 2.267 3.576 . 0 0 "[ . 1]" 1
582 1 64 SER HA 1 66 GLU H 4.770 . 4.770 4.032 2.993 4.576 . 0 0 "[ . 1]" 1
583 1 64 SER HB2 1 65 GLY H 5.420 . 5.420 3.735 2.647 4.632 . 0 0 "[ . 1]" 1
584 1 64 SER HB3 1 66 GLU H 4.460 . 4.460 4.264 2.524 4.725 0.265 6 0 "[ . 1]" 1
585 1 65 GLY H 1 66 GLU H 5.240 . 5.240 2.558 2.311 2.732 . 0 0 "[ . 1]" 1
586 1 65 GLY HA2 1 66 GLU H 5.350 . 5.350 3.317 3.039 3.511 . 0 0 "[ . 1]" 1
587 1 65 GLY HA3 1 66 GLU H 5.390 . 5.390 3.192 2.803 3.455 . 0 0 "[ . 1]" 1
588 1 66 GLU H 1 66 GLU HG2 5.060 . 5.060 2.875 1.934 4.709 . 0 0 "[ . 1]" 1
589 1 66 GLU H 1 67 THR HA 5.390 . 5.390 4.989 4.699 5.317 . 0 0 "[ . 1]" 1
590 1 66 GLU HA 1 67 THR H 4.160 . 4.160 2.652 2.152 3.439 . 0 0 "[ . 1]" 1
591 1 66 GLU HB3 1 67 THR H 5.110 . 5.110 3.821 2.768 4.357 . 0 0 "[ . 1]" 1
592 1 67 THR H 1 67 THR HB 4.370 . 4.370 3.327 2.584 3.796 . 0 0 "[ . 1]" 1
593 1 67 THR H 1 68 GLN H 5.500 . 5.500 3.760 2.109 4.529 . 0 0 "[ . 1]" 1
594 1 67 THR HA 1 68 GLN H 3.760 . 3.760 2.747 2.094 3.575 . 0 0 "[ . 1]" 1
595 1 67 THR MG 1 68 GLN H 4.690 . 4.690 3.358 2.071 4.065 . 0 0 "[ . 1]" 1
596 1 68 GLN H 1 68 GLN HB2 4.010 . 4.010 3.056 2.133 3.689 . 0 0 "[ . 1]" 1
597 1 68 GLN H 1 68 GLN HB3 4.010 . 4.010 2.819 2.192 3.500 . 0 0 "[ . 1]" 1
598 1 68 GLN H 1 68 GLN HG3 5.270 . 5.270 3.608 2.415 4.811 . 0 0 "[ . 1]" 1
599 1 68 GLN H 1 70 VAL H 5.160 . 5.160 5.188 4.820 5.345 0.185 6 0 "[ . 1]" 1
600 1 68 GLN H 1 72 ASN H 5.550 . 5.550 5.565 5.125 5.869 0.319 2 0 "[ . 1]" 1
601 1 68 GLN H 1 72 ASN HD22 4.990 . 4.990 4.605 3.180 5.070 0.080 3 0 "[ . 1]" 1
602 1 68 GLN HA 1 68 GLN HE21 5.110 . 5.110 4.613 3.986 5.399 0.289 8 0 "[ . 1]" 1
603 1 68 GLN HA 1 69 THR H 4.210 . 4.210 2.357 1.964 3.560 . 0 0 "[ . 1]" 1
604 1 68 GLN HA 1 70 VAL H 4.820 . 4.820 3.936 3.122 4.547 . 0 0 "[ . 1]" 1
605 1 68 GLN HB2 1 68 GLN HE21 4.550 . 4.550 3.310 1.952 4.591 0.041 2 0 "[ . 1]" 1
606 1 68 GLN HB2 1 70 VAL H 4.310 . 4.310 3.671 2.542 4.656 0.346 5 0 "[ . 1]" 1
607 1 68 GLN HB3 1 68 GLN HE21 4.550 . 4.550 2.883 1.799 4.119 0.001 5 0 "[ . 1]" 1
608 1 68 GLN HB3 1 70 VAL H 4.310 . 4.310 3.846 2.925 4.444 0.134 4 0 "[ . 1]" 1
609 1 68 GLN HE21 1 70 VAL H 5.160 . 5.160 4.378 2.590 5.255 0.095 3 0 "[ . 1]" 1
610 1 68 GLN HE22 1 72 ASN H 4.600 . 4.600 4.555 4.054 5.058 0.458 5 0 "[ . 1]" 1
611 1 68 GLN HG2 1 70 VAL H 4.240 . 4.240 3.925 2.090 4.506 0.266 4 0 "[ . 1]" 1
612 1 69 THR H 1 69 THR MG 4.740 . 4.740 3.386 2.022 3.766 . 0 0 "[ . 1]" 1
613 1 69 THR H 1 70 VAL H 4.730 . 4.730 2.827 2.613 2.985 . 0 0 "[ . 1]" 1
614 1 69 THR HA 1 70 VAL H 4.580 . 4.580 3.448 2.825 3.619 . 0 0 "[ . 1]" 1
615 1 70 VAL H 1 70 VAL HB 4.280 . 4.280 3.320 2.928 4.041 . 0 0 "[ . 1]" 1
616 1 70 VAL H 1 70 VAL MG1 . . 4.270 2.245 1.811 3.457 . 0 0 "[ . 1]" 1
617 1 70 VAL HB 1 71 ALA H 5.540 . 5.540 3.628 1.915 4.310 . 0 0 "[ . 1]" 1
618 1 70 VAL MG1 1 71 ALA HA 4.600 . 4.600 4.716 4.520 5.464 0.864 7 1 "[ . + 1]" 1
619 1 70 VAL MG2 1 71 ALA H 4.380 . 4.380 2.344 2.011 3.356 . 0 0 "[ . 1]" 1
620 1 70 VAL MG2 1 71 ALA HA 4.630 . 4.630 4.100 3.917 4.846 0.216 5 0 "[ . 1]" 1
621 1 70 VAL MG2 1 72 ASN H 4.500 . 4.500 3.891 1.906 4.641 0.141 3 0 "[ . 1]" 1
622 1 71 ALA HA 1 72 ASN H 3.800 . 3.800 2.524 2.097 3.542 . 0 0 "[ . 1]" 1
623 1 71 ALA MB 1 72 ASN H 3.910 . 3.910 3.414 2.739 3.696 . 0 0 "[ . 1]" 1
624 1 72 ASN H 1 72 ASN HB2 4.000 . 4.000 3.095 2.060 3.691 . 0 0 "[ . 1]" 1
625 1 72 ASN H 1 72 ASN HD21 6.030 . 6.030 4.067 3.081 4.798 . 0 0 "[ . 1]" 1
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