NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601840 |
2mzg   |
25487 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mzg
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 464
_Distance_constraint_stats_list.Viol_count 971
_Distance_constraint_stats_list.Viol_total 2048.181
_Distance_constraint_stats_list.Viol_max 0.895
_Distance_constraint_stats_list.Viol_rms 0.0527
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0110
_Distance_constraint_stats_list.Viol_average_violations_only 0.1055
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.062 0.036 18 0 "[ . 1 . 2]"
1 4 CYS 2.011 0.154 16 0 "[ . 1 . 2]"
1 5 THR 5.001 0.165 9 0 "[ . 1 . 2]"
1 6 PRO 3.720 0.165 9 0 "[ . 1 . 2]"
1 7 LEU 2.507 0.150 3 0 "[ . 1 . 2]"
1 8 LEU 2.762 0.220 17 0 "[ . 1 . 2]"
1 9 HIS 0.788 0.060 13 0 "[ . 1 . 2]"
1 10 ASP 0.252 0.034 14 0 "[ . 1 . 2]"
1 11 CYS 0.233 0.070 17 0 "[ . 1 . 2]"
1 12 SER 9.042 0.589 7 1 "[ . + 1 . 2]"
1 13 HIS 0.916 0.154 5 0 "[ . 1 . 2]"
1 14 ASP 3.718 0.307 16 0 "[ . 1 . 2]"
1 15 ARG 0.420 0.258 2 0 "[ . 1 . 2]"
1 16 HIS 3.102 0.208 16 0 "[ . 1 . 2]"
1 17 SER 0.921 0.201 19 0 "[ . 1 . 2]"
1 18 CYS 1.553 0.110 17 0 "[ . 1 . 2]"
1 19 CYS 2.027 0.101 5 0 "[ . 1 . 2]"
1 20 ARG 2.956 0.221 6 0 "[ . 1 . 2]"
1 21 GLY 2.583 0.140 13 0 "[ . 1 . 2]"
1 22 ASP 0.419 0.100 4 0 "[ . 1 . 2]"
1 23 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.211 0.038 17 0 "[ . 1 . 2]"
1 25 LYS 6.713 0.576 11 1 "[ . 1+ . 2]"
1 26 TYR 4.225 0.576 11 1 "[ . 1+ . 2]"
1 27 VAL 8.455 0.372 18 0 "[ . 1 . 2]"
1 28 CYS 5.979 0.372 18 0 "[ . 1 . 2]"
1 29 ASP 0.121 0.043 20 0 "[ . 1 . 2]"
1 30 CYS 0.099 0.019 10 0 "[ . 1 . 2]"
1 31 PHE 0.435 0.085 17 0 "[ . 1 . 2]"
1 32 TYR 0.499 0.098 20 0 "[ . 1 . 2]"
1 33 PRO 7.416 0.296 9 0 "[ . 1 . 2]"
1 34 GLU 16.353 0.895 7 7 "[* *-* + *1 * . 2]"
1 35 GLY 6.186 0.895 7 3 "[ - + *1 . 2]"
1 36 GLU 1.565 0.217 17 0 "[ . 1 . 2]"
1 37 ASP 0.502 0.217 17 0 "[ . 1 . 2]"
1 38 LYS 0.296 0.093 4 0 "[ . 1 . 2]"
1 39 THR 0.677 0.157 4 0 "[ . 1 . 2]"
1 40 GLU 0.878 0.157 4 0 "[ . 1 . 2]"
1 41 VAL 0.670 0.063 11 0 "[ . 1 . 2]"
1 42 CYS 5.574 0.589 7 1 "[ . + 1 . 2]"
1 43 SER 0.806 0.145 16 0 "[ . 1 . 2]"
1 44 CYS 1.025 0.079 9 0 "[ . 1 . 2]"
1 45 GLN 8.250 0.371 13 0 "[ . 1 . 2]"
1 46 GLN 1.022 0.283 14 0 "[ . 1 . 2]"
1 47 PRO 0.889 0.154 12 0 "[ . 1 . 2]"
1 48 LYS 1.302 0.124 14 0 "[ . 1 . 2]"
1 49 SER 1.997 0.124 14 0 "[ . 1 . 2]"
1 50 HIS 5.687 0.379 17 0 "[ . 1 . 2]"
1 51 LYS 4.202 0.438 19 0 "[ . 1 . 2]"
1 52 ILE 4.049 0.407 11 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.177 0.036 8 0 "[ . 1 . 2]"
1 55 LYS 5.422 0.656 13 4 "[* . 1 + * -]"
1 56 ILE 4.856 0.656 13 2 "[ . 1 + - 2]"
1 57 ILE 4.284 0.377 15 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.309 0.140 13 0 "[ . 1 . 2]"
1 60 ALA 0.311 0.140 13 0 "[ . 1 . 2]"
1 61 LYS 0.674 0.101 6 0 "[ . 1 . 2]"
1 62 THR 0.242 0.033 7 0 "[ . 1 . 2]"
1 63 THR 0.193 0.033 7 0 "[ . 1 . 2]"
1 64 LEU 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 ALA HA 1 2 LYS H . . 3.680 2.603 2.140 3.392 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 LYS H . . 5.500 2.946 2.195 3.619 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS H 1 2 LYS HB3 . . 4.400 3.430 2.673 4.051 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 2 LYS HG3 . . 4.890 3.572 2.027 4.725 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS HA 1 3 ALA H . . 3.870 2.794 2.149 3.557 . 0 0 "[ . 1 . 2]" 1
6 1 3 ALA HA 1 4 CYS H . . 2.930 2.513 2.143 2.936 0.006 9 0 "[ . 1 . 2]" 1
7 1 3 ALA MB 1 4 CYS H . . 3.670 3.131 2.091 3.706 0.036 18 0 "[ . 1 . 2]" 1
8 1 4 CYS H 1 4 CYS QB . . 3.780 2.601 2.197 3.170 . 0 0 "[ . 1 . 2]" 1
9 1 4 CYS HA 1 5 THR H . . 2.510 2.544 2.327 2.664 0.154 16 0 "[ . 1 . 2]" 1
10 1 4 CYS QB 1 5 THR H . . 2.780 2.277 1.956 2.685 . 0 0 "[ . 1 . 2]" 1
11 1 4 CYS QB 1 19 CYS H . . 3.700 3.693 3.594 3.759 0.059 11 0 "[ . 1 . 2]" 1
12 1 5 THR H 1 5 THR HA . . 3.050 2.945 2.931 2.949 . 0 0 "[ . 1 . 2]" 1
13 1 5 THR H 1 5 THR HB . . 2.860 2.648 2.590 2.783 . 0 0 "[ . 1 . 2]" 1
14 1 5 THR H 1 5 THR MG . . 4.200 3.854 3.833 3.893 . 0 0 "[ . 1 . 2]" 1
15 1 5 THR H 1 6 PRO HD3 . . 3.550 3.608 3.508 3.715 0.165 9 0 "[ . 1 . 2]" 1
16 1 5 THR H 1 18 CYS HA . . 3.000 3.027 2.765 3.110 0.110 17 0 "[ . 1 . 2]" 1
17 1 5 THR HB 1 19 CYS H . . 3.750 3.656 3.488 3.784 0.034 19 0 "[ . 1 . 2]" 1
18 1 5 THR MG 1 9 HIS H . . 4.160 3.923 3.703 4.097 . 0 0 "[ . 1 . 2]" 1
19 1 5 THR MG 1 10 ASP H . . 4.350 3.482 3.150 3.626 . 0 0 "[ . 1 . 2]" 1
20 1 5 THR MG 1 19 CYS H . . 4.410 4.441 4.335 4.511 0.101 5 0 "[ . 1 . 2]" 1
21 1 5 THR MG 1 44 CYS H . . 4.640 3.923 3.615 4.220 . 0 0 "[ . 1 . 2]" 1
22 1 6 PRO HA 1 7 LEU H . . 2.820 2.648 2.613 2.689 . 0 0 "[ . 1 . 2]" 1
23 1 6 PRO HA 1 19 CYS H . . 4.000 3.380 2.742 4.021 0.021 17 0 "[ . 1 . 2]" 1
24 1 6 PRO HB2 1 7 LEU H . . 3.630 2.053 1.971 2.125 . 0 0 "[ . 1 . 2]" 1
25 1 6 PRO HB3 1 7 LEU H . . 3.080 3.202 3.171 3.230 0.150 3 0 "[ . 1 . 2]" 1
26 1 7 LEU H 1 7 LEU HB2 . . 3.060 2.378 2.177 2.756 . 0 0 "[ . 1 . 2]" 1
27 1 7 LEU H 1 7 LEU HB3 . . 4.110 2.667 2.284 2.893 . 0 0 "[ . 1 . 2]" 1
28 1 7 LEU H 1 7 LEU MD1 . . 4.410 3.867 3.631 4.183 . 0 0 "[ . 1 . 2]" 1
29 1 7 LEU H 1 7 LEU MD2 . . 4.330 4.223 4.125 4.290 . 0 0 "[ . 1 . 2]" 1
30 1 7 LEU H 1 26 TYR QE . . 3.670 3.398 2.915 3.666 . 0 0 "[ . 1 . 2]" 1
31 1 7 LEU HA 1 8 LEU H . . 2.570 2.238 2.186 2.283 . 0 0 "[ . 1 . 2]" 1
32 1 7 LEU MD1 1 8 LEU H . . 3.200 2.764 1.937 3.220 0.020 3 0 "[ . 1 . 2]" 1
33 1 7 LEU MD1 1 46 GLN H . . 3.580 2.800 2.216 3.189 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU MD2 1 8 LEU H . . 4.270 4.050 3.691 4.292 0.022 16 0 "[ . 1 . 2]" 1
35 1 7 LEU MD2 1 46 GLN H . . 4.560 4.236 3.742 4.565 0.005 6 0 "[ . 1 . 2]" 1
36 1 7 LEU MD2 1 46 GLN HE21 . . 4.630 3.497 1.987 4.585 . 0 0 "[ . 1 . 2]" 1
37 1 7 LEU HG 1 8 LEU H . . 3.820 2.513 2.099 2.773 . 0 0 "[ . 1 . 2]" 1
38 1 8 LEU H 1 8 LEU HA . . 2.580 2.274 2.273 2.276 . 0 0 "[ . 1 . 2]" 1
39 1 8 LEU H 1 8 LEU HB2 . . 4.120 3.627 3.362 3.754 . 0 0 "[ . 1 . 2]" 1
40 1 8 LEU H 1 8 LEU HB3 . . 3.950 4.021 3.984 4.084 0.134 13 0 "[ . 1 . 2]" 1
41 1 8 LEU H 1 8 LEU MD2 . . 3.300 2.884 2.465 3.312 0.012 13 0 "[ . 1 . 2]" 1
42 1 8 LEU H 1 8 LEU HG . . 3.780 3.041 2.892 3.136 . 0 0 "[ . 1 . 2]" 1
43 1 8 LEU H 1 9 HIS H . . 3.220 2.791 2.714 2.916 . 0 0 "[ . 1 . 2]" 1
44 1 8 LEU H 1 44 CYS H . . 4.150 3.765 3.684 3.888 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU H 1 44 CYS HB2 . . 3.930 3.980 3.948 4.009 0.079 9 0 "[ . 1 . 2]" 1
46 1 8 LEU H 1 44 CYS HB3 . . 3.380 2.497 2.435 2.530 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU HA 1 9 HIS H . . 3.880 2.612 2.544 2.667 . 0 0 "[ . 1 . 2]" 1
48 1 8 LEU HA 1 44 CYS H . . 4.320 3.940 3.845 4.063 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU MD2 1 9 HIS H . . 4.820 4.332 4.173 4.522 . 0 0 "[ . 1 . 2]" 1
50 1 8 LEU MD2 1 45 GLN HE21 . . 3.950 2.797 2.275 3.739 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU MD2 1 45 GLN HE22 . . 3.740 3.403 2.662 3.960 0.220 17 0 "[ . 1 . 2]" 1
52 1 9 HIS H 1 9 HIS HD2 . . 3.920 3.947 3.920 3.980 0.060 13 0 "[ . 1 . 2]" 1
53 1 9 HIS H 1 44 CYS HB3 . . 3.860 2.697 2.593 2.783 . 0 0 "[ . 1 . 2]" 1
54 1 9 HIS HA 1 10 ASP H . . 2.740 2.442 2.420 2.482 . 0 0 "[ . 1 . 2]" 1
55 1 9 HIS HB2 1 10 ASP H . . 3.830 3.837 3.758 3.864 0.034 14 0 "[ . 1 . 2]" 1
56 1 9 HIS HB3 1 10 ASP H . . 3.260 2.428 2.321 2.470 . 0 0 "[ . 1 . 2]" 1
57 1 10 ASP H 1 10 ASP QB . . 2.860 2.373 2.051 2.720 . 0 0 "[ . 1 . 2]" 1
58 1 10 ASP HA 1 11 CYS H . . 2.620 2.143 2.139 2.170 . 0 0 "[ . 1 . 2]" 1
59 1 10 ASP HA 1 12 SER H . . 3.880 3.364 3.244 3.427 . 0 0 "[ . 1 . 2]" 1
60 1 11 CYS H 1 11 CYS HB2 . . 4.250 3.811 3.718 3.857 . 0 0 "[ . 1 . 2]" 1
61 1 11 CYS H 1 11 CYS HB3 . . 3.960 3.026 2.749 3.246 . 0 0 "[ . 1 . 2]" 1
62 1 11 CYS H 1 12 SER H . . 2.890 2.012 1.883 2.283 . 0 0 "[ . 1 . 2]" 1
63 1 11 CYS H 1 42 CYS HB3 . . 4.360 4.268 3.928 4.430 0.070 17 0 "[ . 1 . 2]" 1
64 1 11 CYS H 1 43 SER HA . . 3.080 2.830 2.512 3.070 . 0 0 "[ . 1 . 2]" 1
65 1 11 CYS HA 1 12 SER H . . 3.610 3.200 3.160 3.244 . 0 0 "[ . 1 . 2]" 1
66 1 11 CYS HA 1 13 HIS H . . 3.870 3.558 3.280 3.899 0.029 7 0 "[ . 1 . 2]" 1
67 1 11 CYS HA 1 14 ASP H . . 4.500 3.185 2.966 3.328 . 0 0 "[ . 1 . 2]" 1
68 1 11 CYS HB2 1 12 SER H . . 5.000 4.411 4.337 4.478 . 0 0 "[ . 1 . 2]" 1
69 1 11 CYS HB2 1 14 ASP H . . 5.380 3.992 3.806 4.120 . 0 0 "[ . 1 . 2]" 1
70 1 11 CYS HB3 1 12 SER H . . 4.510 4.372 4.300 4.444 . 0 0 "[ . 1 . 2]" 1
71 1 12 SER H 1 12 SER HA . . 2.970 2.781 2.750 2.804 . 0 0 "[ . 1 . 2]" 1
72 1 12 SER H 1 12 SER HB2 . . 3.340 2.589 2.078 3.383 0.043 5 0 "[ . 1 . 2]" 1
73 1 12 SER H 1 12 SER HB3 . . 3.320 2.698 2.080 3.397 0.077 19 0 "[ . 1 . 2]" 1
74 1 12 SER H 1 13 HIS H . . 3.460 2.736 2.641 2.894 . 0 0 "[ . 1 . 2]" 1
75 1 12 SER H 1 42 CYS HB2 . . 4.160 2.838 2.598 2.980 . 0 0 "[ . 1 . 2]" 1
76 1 12 SER H 1 42 CYS HB3 . . 3.950 4.140 3.870 4.178 0.228 13 0 "[ . 1 . 2]" 1
77 1 12 SER H 1 43 SER HA . . 4.560 4.546 4.317 4.588 0.028 14 0 "[ . 1 . 2]" 1
78 1 12 SER HB2 1 13 HIS H . . 3.950 3.804 2.597 4.104 0.154 5 0 "[ . 1 . 2]" 1
79 1 12 SER HB2 1 14 ASP H . . 5.300 5.414 4.630 5.607 0.307 16 0 "[ . 1 . 2]" 1
80 1 12 SER HB2 1 42 CYS H . . 4.230 2.983 2.465 4.819 0.589 7 1 "[ . + 1 . 2]" 1
81 1 12 SER HB3 1 13 HIS H . . 4.000 3.057 2.484 4.123 0.123 19 0 "[ . 1 . 2]" 1
82 1 12 SER HB3 1 42 CYS H . . 4.810 4.090 3.032 4.819 0.009 9 0 "[ . 1 . 2]" 1
83 1 13 HIS H 1 13 HIS HB2 . . 3.060 2.307 2.194 2.512 . 0 0 "[ . 1 . 2]" 1
84 1 13 HIS H 1 13 HIS HB3 . . 3.590 3.561 3.494 3.619 0.029 13 0 "[ . 1 . 2]" 1
85 1 13 HIS H 1 13 HIS HD2 . . 4.680 3.675 2.560 4.547 . 0 0 "[ . 1 . 2]" 1
86 1 13 HIS H 1 14 ASP H . . 2.930 2.463 2.387 2.668 . 0 0 "[ . 1 . 2]" 1
87 1 13 HIS HA 1 14 ASP H . . 4.720 3.313 3.040 3.427 . 0 0 "[ . 1 . 2]" 1
88 1 13 HIS HB2 1 14 ASP H . . 4.190 3.422 3.105 3.990 . 0 0 "[ . 1 . 2]" 1
89 1 13 HIS HB3 1 14 ASP H . . 4.430 4.016 3.734 4.314 . 0 0 "[ . 1 . 2]" 1
90 1 14 ASP H 1 15 ARG H . . 4.040 3.855 3.556 4.010 . 0 0 "[ . 1 . 2]" 1
91 1 14 ASP H 1 15 ARG HG2 . . 5.500 5.287 4.797 5.512 0.012 4 0 "[ . 1 . 2]" 1
92 1 14 ASP H 1 15 ARG HG3 . . 4.860 4.466 3.960 5.118 0.258 2 0 "[ . 1 . 2]" 1
93 1 14 ASP HA 1 15 ARG H . . 2.540 2.160 2.140 2.231 . 0 0 "[ . 1 . 2]" 1
94 1 14 ASP QB 1 15 ARG H . . 4.590 3.543 3.355 3.809 . 0 0 "[ . 1 . 2]" 1
95 1 14 ASP QB 1 17 SER H . . 4.570 2.995 2.642 3.462 . 0 0 "[ . 1 . 2]" 1
96 1 15 ARG H 1 15 ARG HA . . 2.960 2.877 2.846 2.897 . 0 0 "[ . 1 . 2]" 1
97 1 15 ARG H 1 15 ARG HB2 . . 3.250 2.555 2.448 2.719 . 0 0 "[ . 1 . 2]" 1
98 1 15 ARG H 1 15 ARG HB3 . . 3.780 3.615 3.586 3.634 . 0 0 "[ . 1 . 2]" 1
99 1 15 ARG H 1 15 ARG HD2 . . 4.530 4.335 3.856 4.566 0.036 14 0 "[ . 1 . 2]" 1
100 1 15 ARG H 1 15 ARG HD3 . . 4.560 4.341 3.121 4.570 0.010 7 0 "[ . 1 . 2]" 1
101 1 15 ARG H 1 15 ARG HG2 . . 4.000 3.548 2.855 3.850 . 0 0 "[ . 1 . 2]" 1
102 1 15 ARG H 1 15 ARG HG3 . . 3.350 2.221 1.956 2.409 . 0 0 "[ . 1 . 2]" 1
103 1 15 ARG H 1 16 HIS H . . 3.370 2.546 2.319 2.947 . 0 0 "[ . 1 . 2]" 1
104 1 15 ARG HA 1 16 HIS H . . 4.000 3.447 3.303 3.567 . 0 0 "[ . 1 . 2]" 1
105 1 15 ARG HA 1 17 SER H . . 4.200 3.804 3.543 4.207 0.007 14 0 "[ . 1 . 2]" 1
106 1 15 ARG HB2 1 16 HIS H . . 4.370 2.819 1.938 3.449 . 0 0 "[ . 1 . 2]" 1
107 1 15 ARG HB3 1 16 HIS H . . 4.960 3.817 2.887 4.282 . 0 0 "[ . 1 . 2]" 1
108 1 15 ARG HG3 1 16 HIS H . . 5.020 4.244 3.936 4.468 . 0 0 "[ . 1 . 2]" 1
109 1 16 HIS H 1 16 HIS HB2 . . 3.770 2.336 2.241 2.455 . 0 0 "[ . 1 . 2]" 1
110 1 16 HIS H 1 16 HIS HB3 . . 3.400 3.555 3.503 3.608 0.208 16 0 "[ . 1 . 2]" 1
111 1 16 HIS H 1 16 HIS HD2 . . 4.650 3.853 3.286 4.552 . 0 0 "[ . 1 . 2]" 1
112 1 16 HIS H 1 17 SER H . . 3.030 2.620 2.277 2.801 . 0 0 "[ . 1 . 2]" 1
113 1 16 HIS HA 1 17 SER H . . 3.660 2.986 2.858 3.081 . 0 0 "[ . 1 . 2]" 1
114 1 16 HIS HB2 1 17 SER H . . 4.270 4.087 3.950 4.228 . 0 0 "[ . 1 . 2]" 1
115 1 16 HIS HB3 1 17 SER H . . 4.430 4.295 4.247 4.358 . 0 0 "[ . 1 . 2]" 1
116 1 17 SER H 1 17 SER HB2 . . 3.480 2.725 2.201 3.681 0.201 19 0 "[ . 1 . 2]" 1
117 1 17 SER H 1 17 SER HB3 . . 4.140 3.347 2.851 3.681 . 0 0 "[ . 1 . 2]" 1
118 1 17 SER H 1 18 CYS H . . 3.360 2.223 2.105 2.385 . 0 0 "[ . 1 . 2]" 1
119 1 17 SER HA 1 18 CYS H . . 3.950 3.451 3.336 3.535 . 0 0 "[ . 1 . 2]" 1
120 1 18 CYS H 1 18 CYS HB2 . . 3.390 2.334 2.226 2.470 . 0 0 "[ . 1 . 2]" 1
121 1 18 CYS H 1 18 CYS HB3 . . 3.890 3.555 3.520 3.588 . 0 0 "[ . 1 . 2]" 1
122 1 18 CYS H 1 28 CYS QB . . 4.610 4.523 4.206 4.633 0.023 19 0 "[ . 1 . 2]" 1
123 1 18 CYS HA 1 19 CYS H . . 2.660 2.237 2.163 2.343 . 0 0 "[ . 1 . 2]" 1
124 1 18 CYS HB2 1 19 CYS H . . 4.190 4.141 3.977 4.275 0.085 4 0 "[ . 1 . 2]" 1
125 1 18 CYS HB3 1 19 CYS H . . 3.670 2.981 2.650 3.225 . 0 0 "[ . 1 . 2]" 1
126 1 19 CYS H 1 19 CYS HB2 . . 3.200 2.458 2.166 2.683 . 0 0 "[ . 1 . 2]" 1
127 1 19 CYS H 1 19 CYS HB3 . . 3.760 3.570 3.476 3.617 . 0 0 "[ . 1 . 2]" 1
128 1 19 CYS H 1 26 TYR QD . . 3.820 3.538 2.914 3.844 0.024 3 0 "[ . 1 . 2]" 1
129 1 19 CYS HA 1 20 ARG H . . 2.910 2.401 2.287 2.555 . 0 0 "[ . 1 . 2]" 1
130 1 19 CYS HB2 1 20 ARG H . . 3.660 3.650 3.497 3.742 0.082 11 0 "[ . 1 . 2]" 1
131 1 19 CYS HB3 1 20 ARG H . . 3.170 2.479 2.104 2.775 . 0 0 "[ . 1 . 2]" 1
132 1 20 ARG H 1 20 ARG HB2 . . 3.390 2.733 2.187 3.611 0.221 6 0 "[ . 1 . 2]" 1
133 1 20 ARG H 1 20 ARG HB3 . . 3.340 2.533 2.328 3.042 . 0 0 "[ . 1 . 2]" 1
134 1 20 ARG H 1 20 ARG QD . . 4.860 4.319 3.476 4.749 . 0 0 "[ . 1 . 2]" 1
135 1 20 ARG H 1 20 ARG HG2 . . 4.530 4.167 2.373 4.604 0.074 4 0 "[ . 1 . 2]" 1
136 1 20 ARG HA 1 21 GLY H . . 2.810 2.364 2.275 2.569 . 0 0 "[ . 1 . 2]" 1
137 1 20 ARG HA 1 26 TYR H . . 3.220 3.117 2.626 3.237 0.017 12 0 "[ . 1 . 2]" 1
138 1 20 ARG HB2 1 21 GLY H . . 3.810 3.694 2.383 3.950 0.140 13 0 "[ . 1 . 2]" 1
139 1 20 ARG HB3 1 21 GLY H . . 3.940 3.669 2.645 3.966 0.026 9 0 "[ . 1 . 2]" 1
140 1 20 ARG HG2 1 21 GLY H . . 4.130 2.815 1.992 4.107 . 0 0 "[ . 1 . 2]" 1
141 1 20 ARG HG3 1 21 GLY H . . 4.160 2.438 1.950 3.666 . 0 0 "[ . 1 . 2]" 1
142 1 21 GLY H 1 22 ASP H . . 4.430 4.406 4.169 4.530 0.100 4 0 "[ . 1 . 2]" 1
143 1 21 GLY H 1 24 PHE H . . 4.240 4.225 4.102 4.278 0.038 17 0 "[ . 1 . 2]" 1
144 1 21 GLY H 1 25 LYS HA . . 3.650 2.140 1.945 2.538 . 0 0 "[ . 1 . 2]" 1
145 1 21 GLY H 1 26 TYR H . . 3.980 3.942 3.602 4.004 0.024 13 0 "[ . 1 . 2]" 1
146 1 21 GLY HA2 1 22 ASP H . . 3.440 2.621 2.193 2.924 . 0 0 "[ . 1 . 2]" 1
147 1 21 GLY HA3 1 22 ASP H . . 3.250 2.526 2.260 3.047 . 0 0 "[ . 1 . 2]" 1
148 1 21 GLY HA3 1 23 MET H . . 4.480 3.351 3.197 3.504 . 0 0 "[ . 1 . 2]" 1
149 1 22 ASP H 1 22 ASP QB . . 3.200 2.186 2.066 2.409 . 0 0 "[ . 1 . 2]" 1
150 1 22 ASP H 1 23 MET H . . 3.430 2.515 2.387 2.788 . 0 0 "[ . 1 . 2]" 1
151 1 22 ASP H 1 24 PHE H . . 4.620 4.083 3.712 4.557 . 0 0 "[ . 1 . 2]" 1
152 1 22 ASP HA 1 23 MET H . . 3.800 3.492 3.449 3.512 . 0 0 "[ . 1 . 2]" 1
153 1 22 ASP QB 1 23 MET H . . 3.730 2.873 2.720 3.547 . 0 0 "[ . 1 . 2]" 1
154 1 23 MET H 1 23 MET HB2 . . 3.610 2.615 2.321 2.805 . 0 0 "[ . 1 . 2]" 1
155 1 23 MET H 1 23 MET HB3 . . 4.000 3.737 3.575 3.829 . 0 0 "[ . 1 . 2]" 1
156 1 23 MET H 1 23 MET HG2 . . 4.430 3.483 2.721 4.287 . 0 0 "[ . 1 . 2]" 1
157 1 23 MET H 1 23 MET HG3 . . 4.310 3.202 2.432 4.022 . 0 0 "[ . 1 . 2]" 1
158 1 23 MET H 1 24 PHE H . . 2.870 2.171 1.904 2.586 . 0 0 "[ . 1 . 2]" 1
159 1 23 MET HA 1 24 PHE H . . 4.030 3.553 3.517 3.571 . 0 0 "[ . 1 . 2]" 1
160 1 23 MET HB2 1 24 PHE H . . 3.620 2.420 2.009 2.720 . 0 0 "[ . 1 . 2]" 1
161 1 23 MET HB3 1 24 PHE H . . 3.810 3.536 2.887 3.800 . 0 0 "[ . 1 . 2]" 1
162 1 24 PHE H 1 24 PHE HB2 . . 3.500 2.926 2.780 2.988 . 0 0 "[ . 1 . 2]" 1
163 1 24 PHE H 1 24 PHE HB3 . . 4.050 3.920 3.847 3.950 . 0 0 "[ . 1 . 2]" 1
164 1 24 PHE H 1 24 PHE QD . . 3.790 2.841 2.677 3.009 . 0 0 "[ . 1 . 2]" 1
165 1 24 PHE H 1 24 PHE QE . . 4.750 4.740 4.624 4.770 0.020 18 0 "[ . 1 . 2]" 1
166 1 24 PHE H 1 25 LYS H . . 4.660 4.375 4.291 4.452 . 0 0 "[ . 1 . 2]" 1
167 1 24 PHE HA 1 25 LYS H . . 2.690 2.342 2.193 2.551 . 0 0 "[ . 1 . 2]" 1
168 1 24 PHE HB2 1 25 LYS H . . 4.080 3.589 3.133 3.936 . 0 0 "[ . 1 . 2]" 1
169 1 24 PHE HB3 1 25 LYS H . . 3.540 2.668 2.231 3.072 . 0 0 "[ . 1 . 2]" 1
170 1 24 PHE QD 1 25 LYS H . . 4.330 4.152 3.912 4.346 0.016 19 0 "[ . 1 . 2]" 1
171 1 25 LYS H 1 25 LYS HB2 . . 3.370 2.899 2.206 3.576 0.206 4 0 "[ . 1 . 2]" 1
172 1 25 LYS H 1 25 LYS HB3 . . 3.200 2.488 2.173 2.908 . 0 0 "[ . 1 . 2]" 1
173 1 25 LYS H 1 25 LYS HG2 . . 4.370 3.831 2.521 4.401 0.031 12 0 "[ . 1 . 2]" 1
174 1 25 LYS H 1 25 LYS HG3 . . 4.270 4.249 3.845 4.640 0.370 18 0 "[ . 1 . 2]" 1
175 1 25 LYS HA 1 26 TYR H . . 2.690 2.312 2.219 2.436 . 0 0 "[ . 1 . 2]" 1
176 1 25 LYS HB2 1 26 TYR H . . 4.050 3.540 2.483 4.081 0.031 13 0 "[ . 1 . 2]" 1
177 1 25 LYS HB3 1 26 TYR H . . 3.880 3.821 3.279 4.230 0.350 18 0 "[ . 1 . 2]" 1
178 1 25 LYS HG2 1 26 TYR H . . 3.830 3.127 1.933 4.406 0.576 11 1 "[ . 1+ . 2]" 1
179 1 25 LYS HG3 1 26 TYR H . . 4.420 3.078 2.072 3.920 . 0 0 "[ . 1 . 2]" 1
180 1 26 TYR H 1 26 TYR HB2 . . 3.480 2.487 2.355 2.584 . 0 0 "[ . 1 . 2]" 1
181 1 26 TYR H 1 26 TYR HB3 . . 3.710 3.619 3.577 3.655 . 0 0 "[ . 1 . 2]" 1
182 1 26 TYR H 1 26 TYR QD . . 3.730 3.240 3.102 3.354 . 0 0 "[ . 1 . 2]" 1
183 1 26 TYR H 1 26 TYR QE . . 4.820 4.644 4.459 4.822 0.002 16 0 "[ . 1 . 2]" 1
184 1 26 TYR H 1 27 VAL H . . 4.730 4.592 4.542 4.630 . 0 0 "[ . 1 . 2]" 1
185 1 26 TYR HA 1 27 VAL H . . 2.890 2.376 2.188 2.534 . 0 0 "[ . 1 . 2]" 1
186 1 26 TYR HB2 1 27 VAL H . . 4.120 3.653 3.416 4.001 . 0 0 "[ . 1 . 2]" 1
187 1 26 TYR HB3 1 27 VAL H . . 3.460 2.518 2.141 3.084 . 0 0 "[ . 1 . 2]" 1
188 1 26 TYR HB3 1 45 GLN H . . 3.890 3.659 3.395 3.907 0.017 8 0 "[ . 1 . 2]" 1
189 1 26 TYR QD 1 27 VAL H . . 3.950 3.769 3.411 3.986 0.036 17 0 "[ . 1 . 2]" 1
190 1 27 VAL H 1 27 VAL HB . . 3.370 3.281 2.737 3.663 0.293 17 0 "[ . 1 . 2]" 1
191 1 27 VAL H 1 27 VAL QG . . 3.210 2.060 1.876 2.462 . 0 0 "[ . 1 . 2]" 1
192 1 27 VAL H 1 45 GLN H . . 3.360 3.435 3.290 3.482 0.122 18 0 "[ . 1 . 2]" 1
193 1 27 VAL H 1 47 PRO QD . . 4.210 2.866 2.584 3.727 . 0 0 "[ . 1 . 2]" 1
194 1 27 VAL HA 1 28 CYS H . . 2.620 2.284 2.184 2.547 . 0 0 "[ . 1 . 2]" 1
195 1 27 VAL HB 1 28 CYS H . . 3.440 3.633 2.736 3.812 0.372 18 0 "[ . 1 . 2]" 1
196 1 27 VAL QG 1 28 CYS H . . 3.520 2.218 1.878 3.349 . 0 0 "[ . 1 . 2]" 1
197 1 27 VAL QG 1 45 GLN H . . 3.810 3.297 3.058 3.667 . 0 0 "[ . 1 . 2]" 1
198 1 27 VAL QG 1 46 GLN H . . 4.570 3.883 3.634 4.361 . 0 0 "[ . 1 . 2]" 1
199 1 27 VAL QG 1 48 LYS H . . 4.520 3.918 3.645 4.168 . 0 0 "[ . 1 . 2]" 1
200 1 28 CYS H 1 28 CYS QB . . 2.940 2.323 2.262 2.387 . 0 0 "[ . 1 . 2]" 1
201 1 28 CYS HA 1 29 ASP H . . 2.730 2.145 2.138 2.168 . 0 0 "[ . 1 . 2]" 1
202 1 28 CYS HA 1 43 SER H . . 4.560 4.537 4.413 4.611 0.051 9 0 "[ . 1 . 2]" 1
203 1 28 CYS HA 1 45 GLN H . . 3.820 3.117 2.977 3.276 . 0 0 "[ . 1 . 2]" 1
204 1 28 CYS QB 1 29 ASP H . . 4.710 3.840 3.689 3.917 . 0 0 "[ . 1 . 2]" 1
205 1 29 ASP H 1 29 ASP HB2 . . 3.250 2.325 2.256 2.441 . 0 0 "[ . 1 . 2]" 1
206 1 29 ASP H 1 29 ASP HB3 . . 3.570 3.558 3.512 3.584 0.014 9 0 "[ . 1 . 2]" 1
207 1 29 ASP H 1 43 SER H . . 3.440 3.168 2.953 3.286 . 0 0 "[ . 1 . 2]" 1
208 1 29 ASP H 1 44 CYS HA . . 3.820 3.434 3.298 3.602 . 0 0 "[ . 1 . 2]" 1
209 1 29 ASP H 1 45 GLN H . . 4.510 3.492 3.173 3.884 . 0 0 "[ . 1 . 2]" 1
210 1 29 ASP HA 1 30 CYS H . . 2.660 2.224 2.138 2.328 . 0 0 "[ . 1 . 2]" 1
211 1 29 ASP HB2 1 30 CYS H . . 4.520 4.218 3.935 4.494 . 0 0 "[ . 1 . 2]" 1
212 1 29 ASP HB2 1 43 SER H . . 4.790 3.694 3.392 4.150 . 0 0 "[ . 1 . 2]" 1
213 1 29 ASP HB3 1 30 CYS H . . 4.250 3.091 2.644 3.641 . 0 0 "[ . 1 . 2]" 1
214 1 29 ASP HB3 1 43 SER H . . 4.490 4.294 4.108 4.533 0.043 20 0 "[ . 1 . 2]" 1
215 1 30 CYS H 1 30 CYS HB2 . . 3.370 2.551 2.330 2.722 . 0 0 "[ . 1 . 2]" 1
216 1 30 CYS H 1 30 CYS HB3 . . 3.850 3.710 3.563 3.816 . 0 0 "[ . 1 . 2]" 1
217 1 30 CYS HA 1 31 PHE H . . 2.990 2.226 2.152 2.310 . 0 0 "[ . 1 . 2]" 1
218 1 30 CYS HA 1 43 SER H . . 3.590 3.566 3.382 3.609 0.019 10 0 "[ . 1 . 2]" 1
219 1 30 CYS HB2 1 31 PHE H . . 4.690 4.091 3.918 4.218 . 0 0 "[ . 1 . 2]" 1
220 1 30 CYS HB3 1 31 PHE H . . 3.990 2.962 2.674 3.289 . 0 0 "[ . 1 . 2]" 1
221 1 31 PHE H 1 31 PHE HB2 . . 4.360 2.771 2.688 2.861 . 0 0 "[ . 1 . 2]" 1
222 1 31 PHE H 1 31 PHE HB3 . . 4.380 3.825 3.740 3.904 . 0 0 "[ . 1 . 2]" 1
223 1 31 PHE H 1 31 PHE QD . . 4.070 3.591 3.144 4.000 . 0 0 "[ . 1 . 2]" 1
224 1 31 PHE H 1 40 GLU HA . . 4.560 4.577 4.472 4.645 0.085 17 0 "[ . 1 . 2]" 1
225 1 31 PHE H 1 40 GLU QB . . 4.950 4.234 2.857 4.769 . 0 0 "[ . 1 . 2]" 1
226 1 31 PHE H 1 41 VAL H . . 3.490 3.215 2.990 3.365 . 0 0 "[ . 1 . 2]" 1
227 1 31 PHE H 1 41 VAL HB . . 4.700 3.819 3.645 3.989 . 0 0 "[ . 1 . 2]" 1
228 1 31 PHE H 1 41 VAL MG1 . . 5.170 4.573 4.472 4.703 . 0 0 "[ . 1 . 2]" 1
229 1 31 PHE H 1 41 VAL MG2 . . 4.880 4.753 4.630 4.851 . 0 0 "[ . 1 . 2]" 1
230 1 31 PHE HA 1 32 TYR H . . 2.950 2.446 2.226 2.643 . 0 0 "[ . 1 . 2]" 1
231 1 31 PHE HB2 1 32 TYR H . . 4.040 3.670 3.195 4.002 . 0 0 "[ . 1 . 2]" 1
232 1 31 PHE HB3 1 32 TYR H . . 3.350 2.377 1.943 2.931 . 0 0 "[ . 1 . 2]" 1
233 1 31 PHE QD 1 32 TYR H . . 4.820 3.319 2.796 4.026 . 0 0 "[ . 1 . 2]" 1
234 1 32 TYR H 1 32 TYR HB2 . . 3.440 2.932 2.559 3.099 . 0 0 "[ . 1 . 2]" 1
235 1 32 TYR H 1 32 TYR HB3 . . 4.080 3.870 3.631 3.941 . 0 0 "[ . 1 . 2]" 1
236 1 32 TYR H 1 32 TYR QD . . 3.780 2.799 1.978 3.181 . 0 0 "[ . 1 . 2]" 1
237 1 32 TYR HA 1 41 VAL H . . 4.700 3.214 2.860 3.671 . 0 0 "[ . 1 . 2]" 1
238 1 32 TYR HB2 1 35 GLY H . . 4.000 3.170 2.475 4.098 0.098 20 0 "[ . 1 . 2]" 1
239 1 32 TYR HB3 1 35 GLY H . . 4.000 3.395 3.117 4.098 0.098 20 0 "[ . 1 . 2]" 1
240 1 32 TYR QD 1 39 THR H . . 5.050 4.376 3.693 5.067 0.017 9 0 "[ . 1 . 2]" 1
241 1 33 PRO HA 1 34 GLU H . . 3.420 2.548 2.432 3.340 . 0 0 "[ . 1 . 2]" 1
242 1 33 PRO HB2 1 34 GLU H . . 4.650 4.248 3.896 4.306 . 0 0 "[ . 1 . 2]" 1
243 1 33 PRO HB3 1 34 GLU H . . 4.490 4.570 4.466 4.602 0.112 16 0 "[ . 1 . 2]" 1
244 1 33 PRO HD2 1 34 GLU H . . 4.770 4.624 2.941 4.867 0.097 9 0 "[ . 1 . 2]" 1
245 1 33 PRO HD3 1 41 VAL H . . 4.270 3.918 3.241 4.287 0.017 17 0 "[ . 1 . 2]" 1
246 1 33 PRO HG3 1 34 GLU H . . 5.470 5.627 4.518 5.766 0.296 9 0 "[ . 1 . 2]" 1
247 1 34 GLU H 1 34 GLU HB2 . . 3.570 3.258 2.948 3.770 0.200 17 0 "[ . 1 . 2]" 1
248 1 34 GLU H 1 34 GLU HB3 . . 4.050 3.965 3.720 4.080 0.030 10 0 "[ . 1 . 2]" 1
249 1 34 GLU H 1 34 GLU HG2 . . 4.260 4.060 2.696 5.128 0.868 5 5 "[* *-+ 1 * . 2]" 1
250 1 34 GLU H 1 35 GLY H . . 3.740 2.650 2.455 2.776 . 0 0 "[ . 1 . 2]" 1
251 1 34 GLU HA 1 35 GLY H . . 3.100 2.954 2.879 3.006 . 0 0 "[ . 1 . 2]" 1
252 1 34 GLU HB2 1 35 GLY H . . 4.900 4.244 3.997 4.472 . 0 0 "[ . 1 . 2]" 1
253 1 34 GLU HB3 1 35 GLY H . . 4.760 4.242 4.017 4.535 . 0 0 "[ . 1 . 2]" 1
254 1 34 GLU HG2 1 35 GLY H . . 4.980 5.139 4.767 5.875 0.895 7 3 "[ - + *1 . 2]" 1
255 1 35 GLY HA2 1 36 GLU H . . 3.740 2.386 2.139 3.569 . 0 0 "[ . 1 . 2]" 1
256 1 35 GLY HA3 1 36 GLU H . . 3.370 3.229 2.605 3.568 0.198 9 0 "[ . 1 . 2]" 1
257 1 36 GLU H 1 36 GLU HB2 . . 4.130 3.217 2.282 3.682 . 0 0 "[ . 1 . 2]" 1
258 1 36 GLU H 1 36 GLU HB3 . . 3.710 2.882 2.483 3.689 . 0 0 "[ . 1 . 2]" 1
259 1 36 GLU H 1 36 GLU HG2 . . 5.080 2.911 2.184 4.444 . 0 0 "[ . 1 . 2]" 1
260 1 36 GLU H 1 36 GLU HG3 . . 4.720 3.293 1.947 4.521 . 0 0 "[ . 1 . 2]" 1
261 1 36 GLU H 1 37 ASP H . . 3.580 2.749 2.206 3.797 0.217 17 0 "[ . 1 . 2]" 1
262 1 36 GLU HA 1 37 ASP H . . 3.640 3.177 2.344 3.570 . 0 0 "[ . 1 . 2]" 1
263 1 36 GLU HB2 1 37 ASP H . . 4.810 4.040 2.109 4.654 . 0 0 "[ . 1 . 2]" 1
264 1 36 GLU HB3 1 37 ASP H . . 4.740 4.102 2.980 4.570 . 0 0 "[ . 1 . 2]" 1
265 1 37 ASP H 1 37 ASP QB . . 3.840 2.375 2.058 2.708 . 0 0 "[ . 1 . 2]" 1
266 1 37 ASP H 1 38 LYS H . . 3.570 2.696 2.310 3.612 0.042 20 0 "[ . 1 . 2]" 1
267 1 37 ASP HA 1 38 LYS H . . 3.770 3.073 2.552 3.568 . 0 0 "[ . 1 . 2]" 1
268 1 37 ASP QB 1 38 LYS H . . 5.080 3.542 2.098 4.023 . 0 0 "[ . 1 . 2]" 1
269 1 38 LYS H 1 38 LYS HB3 . . 3.830 3.660 3.235 3.842 0.012 4 0 "[ . 1 . 2]" 1
270 1 38 LYS H 1 38 LYS HD2 . . 5.500 4.511 2.861 5.518 0.018 10 0 "[ . 1 . 2]" 1
271 1 38 LYS H 1 38 LYS HD3 . . 5.500 4.764 2.970 5.515 0.015 2 0 "[ . 1 . 2]" 1
272 1 38 LYS H 1 38 LYS QE . . 5.340 4.786 3.285 5.375 0.035 13 0 "[ . 1 . 2]" 1
273 1 38 LYS H 1 38 LYS HG2 . . 4.820 3.638 1.971 4.777 . 0 0 "[ . 1 . 2]" 1
274 1 38 LYS H 1 38 LYS HG3 . . 4.650 3.451 2.595 4.074 . 0 0 "[ . 1 . 2]" 1
275 1 38 LYS HA 1 39 THR H . . 3.610 3.498 3.019 3.571 . 0 0 "[ . 1 . 2]" 1
276 1 38 LYS HB2 1 39 THR H . . 3.880 2.546 1.979 3.973 0.093 4 0 "[ . 1 . 2]" 1
277 1 38 LYS HB3 1 39 THR H . . 4.400 3.217 2.506 4.418 0.018 4 0 "[ . 1 . 2]" 1
278 1 39 THR H 1 39 THR HB . . 3.800 3.138 2.956 3.267 . 0 0 "[ . 1 . 2]" 1
279 1 39 THR H 1 39 THR MG . . 4.690 4.029 3.964 4.057 . 0 0 "[ . 1 . 2]" 1
280 1 39 THR HA 1 40 GLU H . . 3.010 2.226 2.143 2.617 . 0 0 "[ . 1 . 2]" 1
281 1 39 THR HB 1 40 GLU H . . 4.160 3.964 3.095 4.317 0.157 4 0 "[ . 1 . 2]" 1
282 1 39 THR MG 1 40 GLU H . . 4.020 2.668 1.942 4.090 0.070 4 0 "[ . 1 . 2]" 1
283 1 40 GLU H 1 40 GLU QB . . 3.550 2.762 2.369 2.890 . 0 0 "[ . 1 . 2]" 1
284 1 40 GLU HA 1 41 VAL H . . 2.760 2.158 2.139 2.275 . 0 0 "[ . 1 . 2]" 1
285 1 40 GLU QB 1 41 VAL H . . 3.970 3.261 2.702 3.494 . 0 0 "[ . 1 . 2]" 1
286 1 41 VAL H 1 41 VAL HB . . 3.440 2.678 2.606 2.713 . 0 0 "[ . 1 . 2]" 1
287 1 41 VAL H 1 41 VAL MG1 . . 4.400 3.855 3.819 3.878 . 0 0 "[ . 1 . 2]" 1
288 1 41 VAL H 1 41 VAL MG2 . . 3.590 2.441 2.211 2.611 . 0 0 "[ . 1 . 2]" 1
289 1 41 VAL HA 1 42 CYS H . . 2.690 2.142 2.139 2.150 . 0 0 "[ . 1 . 2]" 1
290 1 41 VAL HB 1 42 CYS H . . 4.190 4.219 4.120 4.253 0.063 11 0 "[ . 1 . 2]" 1
291 1 41 VAL MG1 1 42 CYS H . . 3.980 2.855 2.626 2.998 . 0 0 "[ . 1 . 2]" 1
292 1 41 VAL MG1 1 43 SER H . . 4.930 4.787 4.465 4.924 . 0 0 "[ . 1 . 2]" 1
293 1 41 VAL MG2 1 42 CYS H . . 4.520 4.201 4.108 4.247 . 0 0 "[ . 1 . 2]" 1
294 1 42 CYS H 1 42 CYS HB2 . . 4.250 2.663 2.490 2.745 . 0 0 "[ . 1 . 2]" 1
295 1 42 CYS H 1 42 CYS HB3 . . 3.800 3.760 3.659 3.799 . 0 0 "[ . 1 . 2]" 1
296 1 42 CYS HA 1 43 SER H . . 2.860 2.259 2.167 2.302 . 0 0 "[ . 1 . 2]" 1
297 1 42 CYS HB2 1 43 SER H . . 3.990 3.819 3.660 4.135 0.145 16 0 "[ . 1 . 2]" 1
298 1 42 CYS HB3 1 43 SER H . . 4.730 2.844 2.704 3.182 . 0 0 "[ . 1 . 2]" 1
299 1 43 SER H 1 43 SER HB3 . . 4.200 3.562 3.387 3.670 . 0 0 "[ . 1 . 2]" 1
300 1 43 SER HA 1 44 CYS H . . 3.000 2.295 2.219 2.351 . 0 0 "[ . 1 . 2]" 1
301 1 43 SER HB2 1 44 CYS H . . 3.310 2.752 2.575 2.991 . 0 0 "[ . 1 . 2]" 1
302 1 43 SER HB3 1 44 CYS H . . 3.900 3.705 3.552 3.860 . 0 0 "[ . 1 . 2]" 1
303 1 44 CYS H 1 44 CYS HA . . 3.000 2.848 2.833 2.881 . 0 0 "[ . 1 . 2]" 1
304 1 44 CYS H 1 44 CYS HB2 . . 3.680 2.263 2.238 2.314 . 0 0 "[ . 1 . 2]" 1
305 1 44 CYS H 1 44 CYS HB3 . . 3.190 2.865 2.838 2.886 . 0 0 "[ . 1 . 2]" 1
306 1 44 CYS HA 1 45 GLN H . . 2.530 2.153 2.140 2.174 . 0 0 "[ . 1 . 2]" 1
307 1 44 CYS HB2 1 45 GLN H . . 4.500 4.419 4.344 4.513 0.013 8 0 "[ . 1 . 2]" 1
308 1 44 CYS HB3 1 45 GLN H . . 4.190 3.944 3.819 4.115 . 0 0 "[ . 1 . 2]" 1
309 1 45 GLN H 1 45 GLN HB2 . . 3.280 2.722 2.579 2.776 . 0 0 "[ . 1 . 2]" 1
310 1 45 GLN H 1 45 GLN HB3 . . 4.010 3.814 3.740 3.847 . 0 0 "[ . 1 . 2]" 1
311 1 45 GLN H 1 45 GLN HG2 . . 4.080 3.481 2.938 3.795 . 0 0 "[ . 1 . 2]" 1
312 1 45 GLN H 1 45 GLN HG3 . . 3.740 4.016 3.721 4.111 0.371 13 0 "[ . 1 . 2]" 1
313 1 45 GLN HA 1 45 GLN HE22 . . 5.330 4.381 3.138 5.058 . 0 0 "[ . 1 . 2]" 1
314 1 45 GLN HA 1 46 GLN H . . 3.660 2.528 2.441 2.631 . 0 0 "[ . 1 . 2]" 1
315 1 45 GLN HB2 1 46 GLN H . . 3.940 3.477 3.177 3.680 . 0 0 "[ . 1 . 2]" 1
316 1 45 GLN HB3 1 45 GLN HE22 . . 5.500 4.152 3.708 4.455 . 0 0 "[ . 1 . 2]" 1
317 1 45 GLN HB3 1 46 GLN H . . 3.310 2.163 1.986 2.344 . 0 0 "[ . 1 . 2]" 1
318 1 45 GLN HE21 1 45 GLN HG3 . . 3.550 3.200 2.622 3.540 . 0 0 "[ . 1 . 2]" 1
319 1 45 GLN HE22 1 45 GLN HG3 . . 3.920 3.920 3.645 4.091 0.171 10 0 "[ . 1 . 2]" 1
320 1 46 GLN H 1 46 GLN HB2 . . 3.390 2.682 2.158 3.673 0.283 14 0 "[ . 1 . 2]" 1
321 1 46 GLN H 1 46 GLN HB3 . . 3.730 3.442 2.675 3.675 . 0 0 "[ . 1 . 2]" 1
322 1 46 GLN H 1 46 GLN QG . . 3.550 2.685 2.060 3.507 . 0 0 "[ . 1 . 2]" 1
323 1 46 GLN HE21 1 46 GLN QG . . 3.230 2.238 2.098 2.652 . 0 0 "[ . 1 . 2]" 1
324 1 46 GLN HE22 1 46 GLN QG . . 3.640 3.264 3.217 3.439 . 0 0 "[ . 1 . 2]" 1
325 1 47 PRO HA 1 48 LYS H . . 2.870 2.354 2.206 2.460 . 0 0 "[ . 1 . 2]" 1
326 1 47 PRO HB2 1 48 LYS H . . 4.230 2.755 2.465 3.207 . 0 0 "[ . 1 . 2]" 1
327 1 47 PRO QD 1 50 HIS H . . 4.200 3.629 3.264 4.174 . 0 0 "[ . 1 . 2]" 1
328 1 47 PRO HG2 1 50 HIS H . . 3.720 2.141 2.047 2.391 . 0 0 "[ . 1 . 2]" 1
329 1 47 PRO HG3 1 50 HIS H . . 3.790 3.834 3.796 3.944 0.154 12 0 "[ . 1 . 2]" 1
330 1 48 LYS H 1 48 LYS HB2 . . 3.240 2.083 2.060 2.172 . 0 0 "[ . 1 . 2]" 1
331 1 48 LYS H 1 48 LYS HB3 . . 3.320 3.163 2.946 3.303 . 0 0 "[ . 1 . 2]" 1
332 1 48 LYS H 1 48 LYS QD . . 4.140 3.569 2.933 4.130 . 0 0 "[ . 1 . 2]" 1
333 1 48 LYS H 1 48 LYS HG2 . . 4.910 4.558 4.430 4.663 . 0 0 "[ . 1 . 2]" 1
334 1 48 LYS H 1 49 SER H . . 3.390 2.704 2.643 2.771 . 0 0 "[ . 1 . 2]" 1
335 1 48 LYS HA 1 49 SER H . . 3.410 3.475 3.418 3.534 0.124 14 0 "[ . 1 . 2]" 1
336 1 48 LYS HA 1 51 LYS H . . 4.180 3.594 3.446 3.707 . 0 0 "[ . 1 . 2]" 1
337 1 48 LYS HB2 1 49 SER H . . 3.740 3.513 3.298 3.732 . 0 0 "[ . 1 . 2]" 1
338 1 48 LYS HB3 1 49 SER H . . 3.600 3.110 2.777 3.463 . 0 0 "[ . 1 . 2]" 1
339 1 49 SER H 1 49 SER HB2 . . 3.640 2.619 2.091 3.588 . 0 0 "[ . 1 . 2]" 1
340 1 49 SER H 1 49 SER HB3 . . 3.800 3.204 2.135 3.611 . 0 0 "[ . 1 . 2]" 1
341 1 49 SER H 1 50 HIS H . . 3.360 2.748 2.619 2.830 . 0 0 "[ . 1 . 2]" 1
342 1 49 SER HA 1 50 HIS H . . 3.530 3.564 3.521 3.571 0.041 19 0 "[ . 1 . 2]" 1
343 1 49 SER HA 1 52 ILE H . . 4.230 3.914 3.611 4.160 . 0 0 "[ . 1 . 2]" 1
344 1 49 SER HB2 1 50 HIS H . . 4.270 2.848 2.214 3.864 . 0 0 "[ . 1 . 2]" 1
345 1 49 SER HB3 1 50 HIS H . . 4.210 3.108 2.266 3.999 . 0 0 "[ . 1 . 2]" 1
346 1 50 HIS H 1 50 HIS HB2 . . 3.420 2.307 2.069 3.326 . 0 0 "[ . 1 . 2]" 1
347 1 50 HIS H 1 50 HIS HB3 . . 3.200 3.206 2.074 3.579 0.379 17 0 "[ . 1 . 2]" 1
348 1 50 HIS H 1 50 HIS HD2 . . 3.530 3.502 3.178 3.653 0.123 12 0 "[ . 1 . 2]" 1
349 1 50 HIS H 1 51 LYS H . . 2.960 2.677 2.536 2.782 . 0 0 "[ . 1 . 2]" 1
350 1 50 HIS HA 1 51 LYS H . . 3.880 3.522 3.485 3.567 . 0 0 "[ . 1 . 2]" 1
351 1 50 HIS HA 1 53 ALA H . . 4.280 3.810 3.586 4.002 . 0 0 "[ . 1 . 2]" 1
352 1 50 HIS HB2 1 51 LYS H . . 4.100 3.200 2.669 4.222 0.122 12 0 "[ . 1 . 2]" 1
353 1 50 HIS HB3 1 51 LYS H . . 3.890 3.190 2.803 3.759 . 0 0 "[ . 1 . 2]" 1
354 1 51 LYS H 1 51 LYS QB . . 2.950 2.213 2.043 2.541 . 0 0 "[ . 1 . 2]" 1
355 1 51 LYS H 1 51 LYS QD . . 3.550 3.567 3.285 3.751 0.201 8 0 "[ . 1 . 2]" 1
356 1 51 LYS H 1 51 LYS HG2 . . 4.210 3.754 1.983 4.648 0.438 19 0 "[ . 1 . 2]" 1
357 1 51 LYS H 1 52 ILE H . . 3.150 2.834 2.633 2.968 . 0 0 "[ . 1 . 2]" 1
358 1 51 LYS HA 1 52 ILE H . . 3.860 3.567 3.548 3.572 . 0 0 "[ . 1 . 2]" 1
359 1 51 LYS HA 1 54 GLU H . . 3.900 3.855 3.727 3.925 0.025 19 0 "[ . 1 . 2]" 1
360 1 51 LYS QB 1 52 ILE H . . 3.550 2.363 2.099 3.299 . 0 0 "[ . 1 . 2]" 1
361 1 52 ILE H 1 52 ILE HB . . 2.890 2.530 2.382 2.597 . 0 0 "[ . 1 . 2]" 1
362 1 52 ILE H 1 52 ILE MD . . 4.130 3.349 3.162 3.673 . 0 0 "[ . 1 . 2]" 1
363 1 52 ILE H 1 52 ILE HG12 . . 3.220 3.126 2.054 3.627 0.407 11 0 "[ . 1 . 2]" 1
364 1 52 ILE H 1 52 ILE HG13 . . 3.730 2.520 1.981 3.662 . 0 0 "[ . 1 . 2]" 1
365 1 52 ILE H 1 52 ILE MG . . 3.950 3.759 3.729 3.766 . 0 0 "[ . 1 . 2]" 1
366 1 52 ILE H 1 53 ALA H . . 3.150 2.797 2.669 2.878 . 0 0 "[ . 1 . 2]" 1
367 1 52 ILE HA 1 53 ALA H . . 4.180 3.551 3.488 3.571 . 0 0 "[ . 1 . 2]" 1
368 1 52 ILE HA 1 55 LYS H . . 4.210 3.597 3.375 3.812 . 0 0 "[ . 1 . 2]" 1
369 1 52 ILE HB 1 53 ALA H . . 3.440 2.494 2.245 2.884 . 0 0 "[ . 1 . 2]" 1
370 1 52 ILE MD 1 53 ALA H . . 4.720 4.391 4.136 4.714 . 0 0 "[ . 1 . 2]" 1
371 1 52 ILE MG 1 53 ALA H . . 3.950 3.289 2.931 3.607 . 0 0 "[ . 1 . 2]" 1
372 1 53 ALA H 1 53 ALA MB . . 3.160 2.194 2.110 2.235 . 0 0 "[ . 1 . 2]" 1
373 1 53 ALA HA 1 54 GLU H . . 4.160 3.564 3.517 3.574 . 0 0 "[ . 1 . 2]" 1
374 1 53 ALA HA 1 56 ILE H . . 3.830 3.696 3.446 3.826 . 0 0 "[ . 1 . 2]" 1
375 1 53 ALA MB 1 54 GLU H . . 3.450 2.333 2.156 2.682 . 0 0 "[ . 1 . 2]" 1
376 1 54 GLU H 1 54 GLU QB . . 3.180 2.227 2.096 2.453 . 0 0 "[ . 1 . 2]" 1
377 1 54 GLU H 1 54 GLU HG2 . . 3.650 3.075 2.313 3.686 0.036 8 0 "[ . 1 . 2]" 1
378 1 54 GLU H 1 54 GLU HG3 . . 4.270 3.520 2.708 4.082 . 0 0 "[ . 1 . 2]" 1
379 1 54 GLU H 1 55 LYS H . . 3.360 2.758 2.601 2.899 . 0 0 "[ . 1 . 2]" 1
380 1 54 GLU HA 1 55 LYS H . . 4.310 3.537 3.481 3.562 . 0 0 "[ . 1 . 2]" 1
381 1 54 GLU HA 1 57 ILE H . . 3.870 3.757 3.631 3.892 0.022 16 0 "[ . 1 . 2]" 1
382 1 54 GLU HA 1 58 ASP H . . 4.460 3.803 3.606 4.019 . 0 0 "[ . 1 . 2]" 1
383 1 54 GLU QB 1 55 LYS H . . 3.670 2.688 2.459 3.528 . 0 0 "[ . 1 . 2]" 1
384 1 55 LYS H 1 55 LYS HB2 . . 3.340 2.367 2.063 3.461 0.121 13 0 "[ . 1 . 2]" 1
385 1 55 LYS H 1 55 LYS HB3 . . 3.590 3.344 2.146 3.589 . 0 0 "[ . 1 . 2]" 1
386 1 55 LYS H 1 55 LYS HD2 . . 4.160 3.889 2.616 4.751 0.591 15 3 "[* . 1 + -]" 1
387 1 55 LYS H 1 55 LYS HD3 . . 4.620 3.796 2.620 4.646 0.026 13 0 "[ . 1 . 2]" 1
388 1 55 LYS H 1 55 LYS QE . . 5.030 4.654 2.883 5.106 0.076 15 0 "[ . 1 . 2]" 1
389 1 55 LYS H 1 55 LYS HG2 . . 4.240 3.340 1.978 4.489 0.249 19 0 "[ . 1 . 2]" 1
390 1 55 LYS H 1 55 LYS HG3 . . 5.500 3.793 2.560 4.637 . 0 0 "[ . 1 . 2]" 1
391 1 55 LYS H 1 56 ILE H . . 3.060 2.809 2.508 2.955 . 0 0 "[ . 1 . 2]" 1
392 1 55 LYS HA 1 56 ILE H . . 4.000 3.556 3.490 3.570 . 0 0 "[ . 1 . 2]" 1
393 1 55 LYS HA 1 58 ASP H . . 4.030 3.787 3.668 3.985 . 0 0 "[ . 1 . 2]" 1
394 1 55 LYS HA 1 59 LYS H . . 4.510 3.937 3.484 4.142 . 0 0 "[ . 1 . 2]" 1
395 1 55 LYS HB2 1 56 ILE H . . 3.530 2.782 2.259 4.186 0.656 13 2 "[ . 1 + - 2]" 1
396 1 56 ILE H 1 56 ILE HB . . 2.950 2.548 2.454 2.583 . 0 0 "[ . 1 . 2]" 1
397 1 56 ILE H 1 56 ILE MD . . 4.040 3.234 3.091 3.543 . 0 0 "[ . 1 . 2]" 1
398 1 56 ILE H 1 56 ILE HG12 . . 3.710 2.887 2.038 3.715 0.005 13 0 "[ . 1 . 2]" 1
399 1 56 ILE H 1 56 ILE HG13 . . 3.160 2.751 1.993 3.590 0.430 3 0 "[ . 1 . 2]" 1
400 1 56 ILE H 1 56 ILE MG . . 3.860 3.763 3.755 3.765 . 0 0 "[ . 1 . 2]" 1
401 1 56 ILE H 1 57 ILE H . . 3.300 2.843 2.605 2.938 . 0 0 "[ . 1 . 2]" 1
402 1 56 ILE HA 1 57 ILE H . . 5.500 3.566 3.550 3.571 . 0 0 "[ . 1 . 2]" 1
403 1 56 ILE HA 1 59 LYS H . . 4.100 3.709 3.413 3.885 . 0 0 "[ . 1 . 2]" 1
404 1 56 ILE HB 1 57 ILE H . . 3.350 2.316 2.197 2.509 . 0 0 "[ . 1 . 2]" 1
405 1 57 ILE H 1 57 ILE HB . . 3.030 2.578 2.513 2.609 . 0 0 "[ . 1 . 2]" 1
406 1 57 ILE H 1 57 ILE MD . . 3.650 3.185 3.012 3.316 . 0 0 "[ . 1 . 2]" 1
407 1 57 ILE H 1 57 ILE HG12 . . 3.800 2.474 1.979 3.563 . 0 0 "[ . 1 . 2]" 1
408 1 57 ILE H 1 57 ILE HG13 . . 3.230 3.078 1.978 3.607 0.377 15 0 "[ . 1 . 2]" 1
409 1 57 ILE H 1 57 ILE MG . . 3.940 3.764 3.759 3.766 . 0 0 "[ . 1 . 2]" 1
410 1 57 ILE HA 1 58 ASP H . . 4.100 3.548 3.508 3.569 . 0 0 "[ . 1 . 2]" 1
411 1 57 ILE HA 1 60 ALA H . . 3.970 3.549 3.367 3.884 . 0 0 "[ . 1 . 2]" 1
412 1 57 ILE HB 1 58 ASP H . . 3.440 2.498 2.252 2.779 . 0 0 "[ . 1 . 2]" 1
413 1 57 ILE MD 1 58 ASP H . . 5.230 4.509 4.058 4.681 . 0 0 "[ . 1 . 2]" 1
414 1 57 ILE MG 1 58 ASP H . . 4.030 3.361 3.166 3.579 . 0 0 "[ . 1 . 2]" 1
415 1 58 ASP H 1 58 ASP HB2 . . 3.200 2.296 2.186 2.519 . 0 0 "[ . 1 . 2]" 1
416 1 58 ASP H 1 58 ASP HB3 . . 3.680 3.543 3.493 3.593 . 0 0 "[ . 1 . 2]" 1
417 1 58 ASP H 1 59 LYS H . . 3.370 2.811 2.626 2.938 . 0 0 "[ . 1 . 2]" 1
418 1 58 ASP HA 1 59 LYS H . . 4.130 3.559 3.542 3.570 . 0 0 "[ . 1 . 2]" 1
419 1 58 ASP HA 1 61 LYS H . . 4.020 3.772 3.613 4.000 . 0 0 "[ . 1 . 2]" 1
420 1 58 ASP HB2 1 59 LYS H . . 3.740 2.543 2.333 2.717 . 0 0 "[ . 1 . 2]" 1
421 1 58 ASP HB3 1 59 LYS H . . 3.840 3.182 2.851 3.545 . 0 0 "[ . 1 . 2]" 1
422 1 59 LYS H 1 59 LYS HB2 . . 3.310 2.254 2.066 2.438 . 0 0 "[ . 1 . 2]" 1
423 1 59 LYS H 1 59 LYS HB3 . . 3.570 2.992 2.606 3.569 . 0 0 "[ . 1 . 2]" 1
424 1 59 LYS H 1 59 LYS QD . . 4.800 4.328 2.801 4.718 . 0 0 "[ . 1 . 2]" 1
425 1 59 LYS H 1 59 LYS QE . . 5.500 4.837 4.190 5.470 . 0 0 "[ . 1 . 2]" 1
426 1 59 LYS H 1 59 LYS HG2 . . 4.820 4.155 2.600 4.655 . 0 0 "[ . 1 . 2]" 1
427 1 59 LYS H 1 59 LYS HG3 . . 4.460 4.081 3.262 4.432 . 0 0 "[ . 1 . 2]" 1
428 1 59 LYS H 1 60 ALA H . . 3.150 2.671 2.590 2.929 . 0 0 "[ . 1 . 2]" 1
429 1 59 LYS HA 1 60 ALA H . . 4.100 3.499 3.448 3.571 . 0 0 "[ . 1 . 2]" 1
430 1 59 LYS HA 1 62 THR H . . 4.520 3.750 3.412 4.251 . 0 0 "[ . 1 . 2]" 1
431 1 59 LYS HB2 1 60 ALA H . . 3.850 3.550 2.864 3.990 0.140 13 0 "[ . 1 . 2]" 1
432 1 59 LYS HB3 1 60 ALA H . . 3.990 2.980 2.190 3.819 . 0 0 "[ . 1 . 2]" 1
433 1 60 ALA H 1 60 ALA MB . . 2.890 2.193 2.050 2.249 . 0 0 "[ . 1 . 2]" 1
434 1 60 ALA H 1 61 LYS H . . 3.360 2.762 2.644 2.904 . 0 0 "[ . 1 . 2]" 1
435 1 60 ALA MB 1 61 LYS H . . 3.310 2.280 2.088 2.396 . 0 0 "[ . 1 . 2]" 1
436 1 60 ALA MB 1 62 THR H . . 4.550 4.360 4.063 4.551 0.001 14 0 "[ . 1 . 2]" 1
437 1 61 LYS H 1 61 LYS HB2 . . 3.500 2.838 2.183 3.601 0.101 6 0 "[ . 1 . 2]" 1
438 1 61 LYS H 1 61 LYS HB3 . . 3.760 3.013 2.389 3.598 . 0 0 "[ . 1 . 2]" 1
439 1 61 LYS H 1 61 LYS QD . . 3.670 3.552 3.002 3.676 0.006 12 0 "[ . 1 . 2]" 1
440 1 61 LYS H 1 61 LYS QE . . 5.500 4.802 4.015 5.479 . 0 0 "[ . 1 . 2]" 1
441 1 61 LYS H 1 62 THR H . . 3.400 2.701 2.489 2.950 . 0 0 "[ . 1 . 2]" 1
442 1 61 LYS HA 1 62 THR H . . 3.790 3.519 3.455 3.567 . 0 0 "[ . 1 . 2]" 1
443 1 61 LYS HB2 1 62 THR H . . 4.170 3.332 2.313 4.099 . 0 0 "[ . 1 . 2]" 1
444 1 61 LYS HB3 1 62 THR H . . 4.240 3.416 2.247 4.110 . 0 0 "[ . 1 . 2]" 1
445 1 61 LYS QD 1 62 THR H . . 4.900 4.426 2.703 4.903 0.003 14 0 "[ . 1 . 2]" 1
446 1 61 LYS QG 1 62 THR H . . 3.860 3.321 2.152 3.868 0.008 20 0 "[ . 1 . 2]" 1
447 1 62 THR H 1 62 THR HB . . 4.070 3.161 2.487 3.820 . 0 0 "[ . 1 . 2]" 1
448 1 62 THR H 1 62 THR MG . . 3.860 3.813 3.769 3.866 0.006 17 0 "[ . 1 . 2]" 1
449 1 62 THR H 1 63 THR H . . 3.050 2.540 2.432 2.633 . 0 0 "[ . 1 . 2]" 1
450 1 62 THR H 1 64 LEU H . . 4.230 3.941 3.770 4.219 . 0 0 "[ . 1 . 2]" 1
451 1 62 THR HA 1 63 THR H . . 5.170 3.278 3.081 3.501 . 0 0 "[ . 1 . 2]" 1
452 1 62 THR HB 1 63 THR H . . 3.870 3.436 2.825 3.903 0.033 7 0 "[ . 1 . 2]" 1
453 1 62 THR MG 1 63 THR H . . 4.450 4.026 3.594 4.319 . 0 0 "[ . 1 . 2]" 1
454 1 63 THR H 1 63 THR HB . . 3.210 2.596 2.487 2.866 . 0 0 "[ . 1 . 2]" 1
455 1 63 THR H 1 63 THR MG . . 4.250 3.799 3.770 3.824 . 0 0 "[ . 1 . 2]" 1
456 1 63 THR H 1 64 LEU H . . 3.030 2.265 2.134 2.384 . 0 0 "[ . 1 . 2]" 1
457 1 63 THR HA 1 64 LEU H . . 4.650 3.486 3.428 3.563 . 0 0 "[ . 1 . 2]" 1
458 1 63 THR HB 1 64 LEU H . . 3.630 2.880 2.397 3.135 . 0 0 "[ . 1 . 2]" 1
459 1 63 THR MG 1 64 LEU H . . 5.500 3.772 3.287 4.154 . 0 0 "[ . 1 . 2]" 1
460 1 64 LEU H 1 64 LEU HB2 . . 3.240 2.584 2.220 3.240 . 0 0 "[ . 1 . 2]" 1
461 1 64 LEU H 1 64 LEU HB3 . . 4.140 3.703 3.489 4.054 . 0 0 "[ . 1 . 2]" 1
462 1 64 LEU H 1 64 LEU MD1 . . 4.970 3.867 3.429 4.424 . 0 0 "[ . 1 . 2]" 1
463 1 64 LEU H 1 64 LEU MD2 . . 4.470 4.011 3.276 4.346 . 0 0 "[ . 1 . 2]" 1
464 1 64 LEU H 1 64 LEU HG . . 4.970 3.069 2.177 3.840 . 0 0 "[ . 1 . 2]" 1
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