NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
599568 |
2mz4   |
25472 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mz4
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 530
_Distance_constraint_stats_list.Viol_count 637
_Distance_constraint_stats_list.Viol_total 1142.394
_Distance_constraint_stats_list.Viol_max 0.558
_Distance_constraint_stats_list.Viol_rms 0.0311
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0897
_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 ASP 0.021 0.010 18 0 "[ . 1 . 2]"
1 3 ASN 0.143 0.046 19 0 "[ . 1 . 2]"
1 4 LYS 0.990 0.198 2 0 "[ . 1 . 2]"
1 5 CYS 0.535 0.198 2 0 "[ . 1 . 2]"
1 6 GLU 0.178 0.036 10 0 "[ . 1 . 2]"
1 7 ASN 0.413 0.084 19 0 "[ . 1 . 2]"
1 8 SER 0.999 0.207 9 0 "[ . 1 . 2]"
1 9 LEU 0.682 0.207 9 0 "[ . 1 . 2]"
1 10 ARG 1.859 0.337 1 0 "[ . 1 . 2]"
1 11 ARG 0.804 0.084 19 0 "[ . 1 . 2]"
1 12 GLU 2.322 0.181 20 0 "[ . 1 . 2]"
1 13 ILE 2.020 0.170 5 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 8.883 0.230 1 0 "[ . 1 . 2]"
1 16 GLY 1.734 0.211 1 0 "[ . 1 . 2]"
1 17 GLN 1.945 0.193 16 0 "[ . 1 . 2]"
1 18 CYS 3.144 0.264 4 0 "[ . 1 . 2]"
1 19 ARG 8.055 0.343 18 0 "[ . 1 . 2]"
1 20 ASP 1.471 0.278 15 0 "[ . 1 . 2]"
1 21 LYS 9.919 0.350 18 0 "[ . 1 . 2]"
1 22 VAL 14.219 0.422 18 0 "[ . 1 . 2]"
1 23 LYS 2.818 0.199 13 0 "[ . 1 . 2]"
1 24 THR 0.168 0.068 16 0 "[ . 1 . 2]"
1 25 ASP 0.039 0.015 20 0 "[ . 1 . 2]"
1 26 GLY 0.059 0.047 1 0 "[ . 1 . 2]"
1 27 TYR 0.209 0.068 16 0 "[ . 1 . 2]"
1 28 PHE 2.147 0.246 1 0 "[ . 1 . 2]"
1 29 TYR 0.510 0.145 1 0 "[ . 1 . 2]"
1 30 GLU 1.393 0.155 15 0 "[ . 1 . 2]"
1 31 CYS 7.426 0.410 6 0 "[ . 1 . 2]"
1 32 CYS 3.206 0.230 1 0 "[ . 1 . 2]"
1 33 THR 0.261 0.061 12 0 "[ . 1 . 2]"
1 34 SER 0.875 0.155 13 0 "[ . 1 . 2]"
1 35 ASP 0.056 0.031 5 0 "[ . 1 . 2]"
1 36 SER 0.012 0.012 4 0 "[ . 1 . 2]"
1 37 THR 0.472 0.062 2 0 "[ . 1 . 2]"
1 38 PHE 0.136 0.047 17 0 "[ . 1 . 2]"
1 39 LYS 0.689 0.144 2 0 "[ . 1 . 2]"
1 40 LYS 1.331 0.151 12 0 "[ . 1 . 2]"
1 41 CYS 0.167 0.047 17 0 "[ . 1 . 2]"
1 42 GLN 4.591 0.283 16 0 "[ . 1 . 2]"
1 43 ASP 1.801 0.144 2 0 "[ . 1 . 2]"
1 44 LEU 1.851 0.558 5 1 "[ + 1 . 2]"
1 45 LEU 2.098 0.212 12 0 "[ . 1 . 2]"
1 46 HIS 4.686 0.283 16 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 2 ASP H 1 2 ASP QB 3.470 . 3.470 2.734 2.260 3.133 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASP H 1 3 ASN H 4.020 . 4.020 3.506 1.902 4.024 0.004 16 0 "[ . 1 . 2]" 1
3 1 2 ASP HA 1 3 ASN H 3.140 . 3.140 2.671 2.153 3.150 0.010 18 0 "[ . 1 . 2]" 1
4 1 3 ASN H 1 3 ASN QB 3.570 . 3.570 2.920 2.393 3.448 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASN H 1 4 LYS H 3.840 . 3.840 3.408 2.312 3.832 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASN H 1 4 LYS HA 5.460 . 5.460 4.798 4.221 5.506 0.046 19 0 "[ . 1 . 2]" 1
7 1 3 ASN H 1 4 LYS QG 4.560 . 4.560 3.403 2.603 4.568 0.008 1 0 "[ . 1 . 2]" 1
8 1 3 ASN HA 1 4 LYS H 2.850 . 2.850 2.352 2.140 2.719 . 0 0 "[ . 1 . 2]" 1
9 1 3 ASN HA 1 6 GLU H 5.160 . 5.160 4.596 3.905 5.195 0.035 7 0 "[ . 1 . 2]" 1
10 1 3 ASN HA 1 7 ASN H 5.210 . 5.210 4.663 4.143 5.174 . 0 0 "[ . 1 . 2]" 1
11 1 3 ASN QB 1 4 LYS HA 4.840 . 4.840 4.350 4.161 4.562 . 0 0 "[ . 1 . 2]" 1
12 1 4 LYS H 1 4 LYS QG 2.840 . 2.840 2.209 1.713 2.677 . 0 0 "[ . 1 . 2]" 1
13 1 4 LYS H 1 6 GLU H 3.750 . 3.750 2.858 2.363 3.739 . 0 0 "[ . 1 . 2]" 1
14 1 4 LYS HA 1 4 LYS QG 3.690 . 3.690 3.037 2.378 3.326 . 0 0 "[ . 1 . 2]" 1
15 1 4 LYS HA 1 5 CYS QB 5.340 . 5.340 5.097 4.417 5.538 0.198 2 0 "[ . 1 . 2]" 1
16 1 4 LYS HA 1 6 GLU H 4.270 . 4.270 4.018 3.829 4.306 0.036 10 0 "[ . 1 . 2]" 1
17 1 4 LYS HA 1 32 CYS HB3 5.500 . 5.500 5.076 4.409 5.583 0.083 3 0 "[ . 1 . 2]" 1
18 1 4 LYS QB 1 32 CYS HA 4.690 . 4.690 3.818 3.373 4.171 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS QB 1 32 CYS HB3 4.540 . 4.540 3.074 2.492 3.826 . 0 0 "[ . 1 . 2]" 1
20 1 4 LYS QB 1 33 THR HA 4.180 . 4.180 3.210 2.623 3.668 . 0 0 "[ . 1 . 2]" 1
21 1 4 LYS QB 1 33 THR MG 5.340 . 5.340 3.857 3.111 4.388 . 0 0 "[ . 1 . 2]" 1
22 1 4 LYS HB2 1 5 CYS H 3.530 . 3.530 1.875 1.694 2.538 . 0 0 "[ . 1 . 2]" 1
23 1 4 LYS HB2 1 32 CYS HA 5.430 . 5.430 4.485 3.444 5.620 0.190 4 0 "[ . 1 . 2]" 1
24 1 4 LYS HB2 1 33 THR HA 4.860 . 4.860 4.117 3.157 4.885 0.025 10 0 "[ . 1 . 2]" 1
25 1 4 LYS HB3 1 5 CYS H 3.530 . 3.530 2.836 1.786 3.346 . 0 0 "[ . 1 . 2]" 1
26 1 4 LYS HB3 1 32 CYS HA 5.430 . 5.430 4.602 3.795 5.433 0.003 5 0 "[ . 1 . 2]" 1
27 1 4 LYS HB3 1 33 THR HA 4.860 . 4.860 3.400 2.802 4.125 . 0 0 "[ . 1 . 2]" 1
28 1 5 CYS H 1 5 CYS QB 3.150 . 3.150 2.417 2.053 2.935 . 0 0 "[ . 1 . 2]" 1
29 1 5 CYS H 1 6 GLU H 3.240 . 3.240 2.767 2.553 3.193 . 0 0 "[ . 1 . 2]" 1
30 1 5 CYS H 1 6 GLU QB 5.230 . 5.230 4.540 4.047 4.781 . 0 0 "[ . 1 . 2]" 1
31 1 5 CYS H 1 7 ASN H 4.970 . 4.970 4.493 4.216 4.869 . 0 0 "[ . 1 . 2]" 1
32 1 5 CYS H 1 32 CYS HB3 3.620 . 3.620 3.424 2.904 3.694 0.074 11 0 "[ . 1 . 2]" 1
33 1 5 CYS HA 1 6 GLU H 3.530 . 3.530 3.155 2.895 3.345 . 0 0 "[ . 1 . 2]" 1
34 1 5 CYS HA 1 7 ASN H 4.120 . 4.120 3.540 3.194 3.735 . 0 0 "[ . 1 . 2]" 1
35 1 5 CYS HA 1 12 GLU HA 4.920 . 4.920 3.838 3.070 4.809 . 0 0 "[ . 1 . 2]" 1
36 1 5 CYS QB 1 32 CYS HB2 5.340 . 5.340 4.237 3.486 4.937 . 0 0 "[ . 1 . 2]" 1
37 1 6 GLU H 1 6 GLU QB 3.300 . 3.300 2.837 2.570 3.160 . 0 0 "[ . 1 . 2]" 1
38 1 6 GLU H 1 6 GLU HG2 3.690 . 3.690 2.531 1.848 3.252 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLU H 1 6 GLU QG 2.940 . 2.940 2.003 1.837 2.269 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLU H 1 6 GLU HG3 3.690 . 3.690 2.661 1.869 3.719 0.029 18 0 "[ . 1 . 2]" 1
41 1 6 GLU H 1 7 ASN H 2.400 . 2.400 2.189 1.896 2.425 0.025 17 0 "[ . 1 . 2]" 1
42 1 6 GLU H 1 7 ASN QB 4.410 . 4.410 3.807 3.555 4.177 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLU QB 1 7 ASN H 4.420 . 4.420 3.887 3.690 3.983 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLU QG 1 7 ASN H 3.280 . 3.280 2.890 2.295 3.245 . 0 0 "[ . 1 . 2]" 1
45 1 7 ASN H 1 7 ASN HB2 3.670 . 3.670 2.562 2.099 3.578 . 0 0 "[ . 1 . 2]" 1
46 1 7 ASN H 1 7 ASN QB 3.210 . 3.210 2.279 2.076 2.754 . 0 0 "[ . 1 . 2]" 1
47 1 7 ASN H 1 7 ASN HB3 3.670 . 3.670 2.763 2.394 3.601 . 0 0 "[ . 1 . 2]" 1
48 1 7 ASN H 1 11 ARG QG 4.560 . 4.560 4.407 3.605 4.644 0.084 19 0 "[ . 1 . 2]" 1
49 1 7 ASN QB 1 8 SER H 3.270 . 3.270 2.013 1.720 2.994 . 0 0 "[ . 1 . 2]" 1
50 1 7 ASN QB 1 8 SER QB 4.420 . 4.420 3.623 2.942 4.203 . 0 0 "[ . 1 . 2]" 1
51 1 8 SER H 1 8 SER QB 2.960 . 2.960 2.689 2.133 2.976 0.016 7 0 "[ . 1 . 2]" 1
52 1 8 SER H 1 9 LEU H 4.640 . 4.640 4.443 4.364 4.588 . 0 0 "[ . 1 . 2]" 1
53 1 8 SER H 1 9 LEU HA 5.500 . 5.500 5.124 4.864 5.707 0.207 9 0 "[ . 1 . 2]" 1
54 1 8 SER H 1 10 ARG H 5.150 . 5.150 4.986 4.417 5.195 0.045 11 0 "[ . 1 . 2]" 1
55 1 8 SER H 1 10 ARG QB 5.340 . 5.340 5.320 5.096 5.448 0.108 11 0 "[ . 1 . 2]" 1
56 1 8 SER H 1 11 ARG QG 3.540 . 3.540 2.735 2.291 3.573 0.033 4 0 "[ . 1 . 2]" 1
57 1 8 SER HA 1 9 LEU H 2.820 . 2.820 2.329 2.159 2.603 . 0 0 "[ . 1 . 2]" 1
58 1 8 SER HA 1 10 ARG H 4.520 . 4.520 4.105 3.565 4.483 . 0 0 "[ . 1 . 2]" 1
59 1 8 SER QB 1 9 LEU H 4.060 . 4.060 2.867 2.363 3.312 . 0 0 "[ . 1 . 2]" 1
60 1 8 SER QB 1 10 ARG QB 3.080 . 3.080 2.755 2.377 3.031 . 0 0 "[ . 1 . 2]" 1
61 1 8 SER QB 1 11 ARG H 3.670 . 3.670 2.858 2.462 3.586 . 0 0 "[ . 1 . 2]" 1
62 1 8 SER QB 1 11 ARG QG 3.620 . 3.620 2.565 2.206 3.649 0.029 4 0 "[ . 1 . 2]" 1
63 1 9 LEU H 1 9 LEU QB 2.710 . 2.710 2.529 2.056 2.775 0.065 15 0 "[ . 1 . 2]" 1
64 1 9 LEU H 1 9 LEU MD1 5.500 . 5.500 2.774 1.705 4.081 . 0 0 "[ . 1 . 2]" 1
65 1 9 LEU H 1 9 LEU MD2 4.330 . 4.330 3.102 1.769 3.813 . 0 0 "[ . 1 . 2]" 1
66 1 9 LEU H 1 10 ARG H 3.300 . 3.300 2.650 2.296 2.798 . 0 0 "[ . 1 . 2]" 1
67 1 9 LEU H 1 10 ARG HA 5.480 . 5.480 5.225 4.852 5.362 . 0 0 "[ . 1 . 2]" 1
68 1 9 LEU H 1 10 ARG QB 4.810 . 4.810 4.640 4.486 4.875 0.065 19 0 "[ . 1 . 2]" 1
69 1 9 LEU H 1 11 ARG H 4.910 . 4.910 4.489 4.241 4.945 0.035 5 0 "[ . 1 . 2]" 1
70 1 9 LEU H 1 12 GLU QB 5.340 . 5.340 4.931 4.529 5.373 0.033 19 0 "[ . 1 . 2]" 1
71 1 9 LEU H 1 13 ILE MD 5.370 . 5.370 4.986 4.804 5.091 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU HA 1 11 ARG H 4.960 . 4.960 4.319 3.756 5.001 0.041 15 0 "[ . 1 . 2]" 1
73 1 9 LEU QB 1 12 GLU QB 4.600 . 4.600 3.795 2.801 4.415 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU QB 1 13 ILE MD 5.340 . 5.340 2.563 2.251 3.020 . 0 0 "[ . 1 . 2]" 1
75 1 10 ARG H 1 10 ARG QB 3.040 . 3.040 2.414 2.279 2.595 . 0 0 "[ . 1 . 2]" 1
76 1 10 ARG H 1 10 ARG HG2 3.610 . 3.610 2.941 2.193 3.659 0.049 15 0 "[ . 1 . 2]" 1
77 1 10 ARG H 1 10 ARG QG 2.750 . 2.750 2.199 1.902 2.512 . 0 0 "[ . 1 . 2]" 1
78 1 10 ARG H 1 10 ARG HG3 3.610 . 3.610 2.606 1.917 3.739 0.129 1 0 "[ . 1 . 2]" 1
79 1 10 ARG H 1 11 ARG H 3.440 . 3.440 2.817 2.698 3.064 . 0 0 "[ . 1 . 2]" 1
80 1 10 ARG H 1 11 ARG QG 4.170 . 4.170 3.975 3.640 4.250 0.080 11 0 "[ . 1 . 2]" 1
81 1 10 ARG H 1 13 ILE MD 4.060 . 4.060 3.767 3.525 3.926 . 0 0 "[ . 1 . 2]" 1
82 1 10 ARG HA 1 10 ARG HG2 3.760 . 3.760 2.571 2.343 3.659 . 0 0 "[ . 1 . 2]" 1
83 1 10 ARG HA 1 10 ARG QG 2.930 . 2.930 2.450 2.243 3.267 0.337 1 0 "[ . 1 . 2]" 1
84 1 10 ARG HA 1 10 ARG HG3 3.760 . 3.760 3.246 2.706 3.722 . 0 0 "[ . 1 . 2]" 1
85 1 10 ARG HA 1 13 ILE H 4.030 . 4.030 3.672 3.444 3.944 . 0 0 "[ . 1 . 2]" 1
86 1 10 ARG HA 1 13 ILE HB 3.520 . 3.520 2.973 2.609 3.620 0.100 1 0 "[ . 1 . 2]" 1
87 1 10 ARG HA 1 13 ILE MD 3.910 . 3.910 2.519 2.279 2.823 . 0 0 "[ . 1 . 2]" 1
88 1 10 ARG HA 1 13 ILE HG13 4.470 . 4.470 4.111 3.707 4.451 . 0 0 "[ . 1 . 2]" 1
89 1 10 ARG QB 1 11 ARG H 3.450 . 3.450 2.543 2.035 3.440 . 0 0 "[ . 1 . 2]" 1
90 1 10 ARG HB2 1 11 ARG H 4.080 . 4.080 2.640 2.060 3.944 . 0 0 "[ . 1 . 2]" 1
91 1 10 ARG HB3 1 11 ARG H 4.080 . 4.080 3.492 2.815 3.849 . 0 0 "[ . 1 . 2]" 1
92 1 11 ARG H 1 11 ARG QB 2.860 . 2.860 2.630 2.424 2.933 0.073 15 0 "[ . 1 . 2]" 1
93 1 11 ARG H 1 11 ARG QG 3.050 . 3.050 1.915 1.700 2.202 . 0 0 "[ . 1 . 2]" 1
94 1 11 ARG H 1 12 GLU H 3.440 . 3.440 2.675 2.256 2.864 . 0 0 "[ . 1 . 2]" 1
95 1 11 ARG H 1 13 ILE H 4.890 . 4.890 4.163 3.816 4.544 . 0 0 "[ . 1 . 2]" 1
96 1 11 ARG HA 1 15 CYS H 4.410 . 4.410 3.904 3.519 4.202 . 0 0 "[ . 1 . 2]" 1
97 1 11 ARG QB 1 12 GLU H 4.210 . 4.210 2.592 2.091 3.459 . 0 0 "[ . 1 . 2]" 1
98 1 11 ARG QB 1 15 CYS H 5.340 . 5.340 4.626 4.407 4.872 . 0 0 "[ . 1 . 2]" 1
99 1 11 ARG QG 1 12 GLU H 3.860 . 3.860 3.379 1.758 3.903 0.043 18 0 "[ . 1 . 2]" 1
100 1 12 GLU H 1 12 GLU QB 2.850 . 2.850 2.261 2.067 2.534 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLU H 1 15 CYS H 5.500 . 5.500 5.299 5.168 5.413 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLU HA 1 13 ILE HA 5.500 . 5.500 4.770 4.728 4.810 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLU HA 1 15 CYS HB2 3.960 . 3.960 3.986 3.770 4.141 0.181 20 0 "[ . 1 . 2]" 1
104 1 12 GLU HA 1 15 CYS HB3 5.140 . 5.140 4.371 3.102 5.054 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLU HA 1 16 GLY H 3.930 . 3.930 3.966 3.720 4.068 0.138 18 0 "[ . 1 . 2]" 1
106 1 12 GLU QB 1 13 ILE H 3.180 . 3.180 2.544 2.296 2.771 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLU QB 1 13 ILE HG13 4.570 . 4.570 3.074 2.906 3.294 . 0 0 "[ . 1 . 2]" 1
108 1 13 ILE H 1 13 ILE HB 3.110 . 3.110 2.453 2.377 2.496 . 0 0 "[ . 1 . 2]" 1
109 1 13 ILE H 1 13 ILE MD 3.770 . 3.770 3.192 3.089 3.439 . 0 0 "[ . 1 . 2]" 1
110 1 13 ILE H 1 13 ILE HG12 5.500 . 5.500 3.645 3.578 3.728 . 0 0 "[ . 1 . 2]" 1
111 1 13 ILE H 1 13 ILE HG13 3.550 . 3.550 2.197 2.099 2.319 . 0 0 "[ . 1 . 2]" 1
112 1 13 ILE H 1 14 ALA H 3.340 . 3.340 2.626 2.511 2.744 . 0 0 "[ . 1 . 2]" 1
113 1 13 ILE H 1 14 ALA MB 4.770 . 4.770 4.233 4.142 4.357 . 0 0 "[ . 1 . 2]" 1
114 1 13 ILE H 1 15 CYS H 5.500 . 5.500 4.862 4.709 5.019 . 0 0 "[ . 1 . 2]" 1
115 1 13 ILE HA 1 13 ILE HG13 3.510 . 3.510 2.719 2.639 2.805 . 0 0 "[ . 1 . 2]" 1
116 1 13 ILE HA 1 13 ILE MG 3.240 . 3.240 2.343 2.303 2.400 . 0 0 "[ . 1 . 2]" 1
117 1 13 ILE HA 1 14 ALA HA 5.500 . 5.500 4.864 4.832 4.906 . 0 0 "[ . 1 . 2]" 1
118 1 13 ILE HA 1 16 GLY H 3.970 . 3.970 3.640 3.500 3.761 . 0 0 "[ . 1 . 2]" 1
119 1 13 ILE HB 1 13 ILE MD 3.580 . 3.580 2.225 2.194 2.272 . 0 0 "[ . 1 . 2]" 1
120 1 13 ILE HB 1 14 ALA H 3.590 . 3.590 2.508 2.247 2.665 . 0 0 "[ . 1 . 2]" 1
121 1 13 ILE HB 1 15 CYS H 5.500 . 5.500 5.587 5.399 5.670 0.170 5 0 "[ . 1 . 2]" 1
122 1 13 ILE HB 1 16 GLY H 5.500 . 5.500 5.417 5.298 5.544 0.044 1 0 "[ . 1 . 2]" 1
123 1 13 ILE MD 1 13 ILE MG 3.820 . 3.820 2.121 1.981 2.223 . 0 0 "[ . 1 . 2]" 1
124 1 13 ILE MG 1 14 ALA H 3.980 . 3.980 3.332 3.069 3.425 . 0 0 "[ . 1 . 2]" 1
125 1 13 ILE MG 1 14 ALA HA 4.970 . 4.970 3.419 3.321 3.492 . 0 0 "[ . 1 . 2]" 1
126 1 13 ILE MG 1 16 GLY HA3 5.500 . 5.500 4.512 4.395 4.704 . 0 0 "[ . 1 . 2]" 1
127 1 13 ILE MG 1 17 GLN H 4.400 . 4.400 3.512 3.279 3.730 . 0 0 "[ . 1 . 2]" 1
128 1 14 ALA H 1 14 ALA HA 2.910 . 2.910 2.759 2.729 2.797 . 0 0 "[ . 1 . 2]" 1
129 1 14 ALA H 1 14 ALA MB 2.760 . 2.760 2.215 2.192 2.227 . 0 0 "[ . 1 . 2]" 1
130 1 14 ALA H 1 15 CYS H 3.450 . 3.450 3.165 3.030 3.288 . 0 0 "[ . 1 . 2]" 1
131 1 14 ALA HA 1 14 ALA MB 2.590 . 2.590 2.122 2.116 2.130 . 0 0 "[ . 1 . 2]" 1
132 1 14 ALA HA 1 18 CYS H 4.720 . 4.720 4.244 3.845 4.457 . 0 0 "[ . 1 . 2]" 1
133 1 14 ALA HA 1 42 GLN HA 5.500 . 5.500 4.302 3.383 5.430 . 0 0 "[ . 1 . 2]" 1
134 1 14 ALA HA 1 45 LEU MD2 3.560 . 3.560 3.350 2.741 3.505 . 0 0 "[ . 1 . 2]" 1
135 1 14 ALA MB 1 15 CYS H 3.470 . 3.470 1.872 1.773 2.001 . 0 0 "[ . 1 . 2]" 1
136 1 14 ALA MB 1 15 CYS HA 5.500 . 5.500 3.703 3.660 3.736 . 0 0 "[ . 1 . 2]" 1
137 1 14 ALA MB 1 15 CYS HB2 4.570 . 4.570 3.539 3.429 3.808 . 0 0 "[ . 1 . 2]" 1
138 1 14 ALA MB 1 16 GLY H 5.180 . 5.180 3.942 3.856 4.070 . 0 0 "[ . 1 . 2]" 1
139 1 14 ALA MB 1 18 CYS H 5.500 . 5.500 4.910 4.517 5.039 . 0 0 "[ . 1 . 2]" 1
140 1 15 CYS H 1 15 CYS HB2 3.240 . 3.240 2.118 2.069 2.336 . 0 0 "[ . 1 . 2]" 1
141 1 15 CYS H 1 15 CYS HB3 3.660 . 3.660 3.267 2.666 3.523 . 0 0 "[ . 1 . 2]" 1
142 1 15 CYS H 1 16 GLY H 3.690 . 3.690 2.748 2.615 2.873 . 0 0 "[ . 1 . 2]" 1
143 1 15 CYS H 1 18 CYS H 5.260 . 5.260 5.022 4.766 5.244 . 0 0 "[ . 1 . 2]" 1
144 1 15 CYS H 1 42 GLN HA 5.500 . 5.500 5.372 4.913 5.682 0.182 13 0 "[ . 1 . 2]" 1
145 1 15 CYS H 1 45 LEU MD2 5.500 . 5.500 5.234 4.711 5.380 . 0 0 "[ . 1 . 2]" 1
146 1 15 CYS HA 1 17 GLN H 5.500 . 5.500 5.502 5.206 5.659 0.159 10 0 "[ . 1 . 2]" 1
147 1 15 CYS HA 1 18 CYS H 4.160 . 4.160 3.901 3.668 4.117 . 0 0 "[ . 1 . 2]" 1
148 1 15 CYS HA 1 18 CYS HA 5.500 . 5.500 5.262 4.983 5.516 0.016 8 0 "[ . 1 . 2]" 1
149 1 15 CYS HA 1 18 CYS QB 3.800 . 3.800 2.381 2.196 2.580 . 0 0 "[ . 1 . 2]" 1
150 1 15 CYS HA 1 19 ARG H 4.400 . 4.400 3.941 3.395 4.387 . 0 0 "[ . 1 . 2]" 1
151 1 15 CYS HB2 1 16 GLY H 3.630 . 3.630 3.333 2.906 3.742 0.112 1 0 "[ . 1 . 2]" 1
152 1 15 CYS HB2 1 16 GLY HA2 5.330 . 5.330 5.148 4.709 5.541 0.211 1 0 "[ . 1 . 2]" 1
153 1 15 CYS HB3 1 16 GLY H 3.990 . 3.990 3.113 2.499 3.378 . 0 0 "[ . 1 . 2]" 1
154 1 15 CYS HB3 1 19 ARG H 5.460 . 5.460 5.093 4.624 5.485 0.025 1 0 "[ . 1 . 2]" 1
155 1 15 CYS HB3 1 31 CYS H 5.500 . 5.500 5.436 4.790 5.723 0.223 4 0 "[ . 1 . 2]" 1
156 1 15 CYS HB3 1 32 CYS H 4.140 . 4.140 4.148 3.853 4.312 0.172 3 0 "[ . 1 . 2]" 1
157 1 15 CYS HB3 1 32 CYS HA 4.480 . 4.480 4.217 3.811 4.710 0.230 1 0 "[ . 1 . 2]" 1
158 1 16 GLY H 1 17 GLN H 3.450 . 3.450 3.259 3.061 3.428 . 0 0 "[ . 1 . 2]" 1
159 1 16 GLY H 1 17 GLN QG 5.020 . 5.020 4.787 4.497 5.062 0.042 20 0 "[ . 1 . 2]" 1
160 1 16 GLY H 1 18 CYS H 5.230 . 5.230 3.993 3.777 4.242 . 0 0 "[ . 1 . 2]" 1
161 1 16 GLY H 1 19 ARG H 5.270 . 5.270 5.057 4.799 5.228 . 0 0 "[ . 1 . 2]" 1
162 1 16 GLY HA2 1 19 ARG H 5.500 . 5.500 4.161 3.609 4.641 . 0 0 "[ . 1 . 2]" 1
163 1 16 GLY HA3 1 17 GLN H 3.280 . 3.280 2.335 2.276 2.441 . 0 0 "[ . 1 . 2]" 1
164 1 16 GLY HA3 1 18 CYS H 5.500 . 5.500 4.298 4.117 4.512 . 0 0 "[ . 1 . 2]" 1
165 1 17 GLN H 1 17 GLN QB 3.380 . 3.380 2.574 2.457 2.683 . 0 0 "[ . 1 . 2]" 1
166 1 17 GLN H 1 17 GLN HG2 3.860 . 3.860 2.279 1.845 2.931 . 0 0 "[ . 1 . 2]" 1
167 1 17 GLN H 1 17 GLN QG 3.180 . 3.180 2.055 1.782 2.238 . 0 0 "[ . 1 . 2]" 1
168 1 17 GLN H 1 17 GLN HG3 3.860 . 3.860 2.719 1.805 3.309 . 0 0 "[ . 1 . 2]" 1
169 1 17 GLN H 1 18 CYS H 3.370 . 3.370 2.949 2.724 3.121 . 0 0 "[ . 1 . 2]" 1
170 1 17 GLN H 1 20 ASP QB 4.360 . 4.360 3.790 3.531 4.243 . 0 0 "[ . 1 . 2]" 1
171 1 17 GLN HA 1 19 ARG H 5.500 . 5.500 5.080 4.139 5.584 0.084 20 0 "[ . 1 . 2]" 1
172 1 17 GLN HA 1 20 ASP H 3.760 . 3.760 3.456 2.856 3.824 0.064 6 0 "[ . 1 . 2]" 1
173 1 17 GLN HA 1 20 ASP QB 3.170 . 3.170 2.133 2.040 2.238 . 0 0 "[ . 1 . 2]" 1
174 1 17 GLN QB 1 20 ASP H 5.340 . 5.340 4.555 4.224 4.915 . 0 0 "[ . 1 . 2]" 1
175 1 17 GLN QB 1 21 LYS H 5.340 . 5.340 4.916 4.545 5.424 0.084 4 0 "[ . 1 . 2]" 1
176 1 17 GLN QB 1 21 LYS QG 4.750 . 4.750 4.068 2.774 4.943 0.193 16 0 "[ . 1 . 2]" 1
177 1 17 GLN QG 1 18 CYS H 4.060 . 4.060 3.962 3.750 4.116 0.056 11 0 "[ . 1 . 2]" 1
178 1 18 CYS H 1 18 CYS HB2 3.880 . 3.880 2.418 2.093 2.720 . 0 0 "[ . 1 . 2]" 1
179 1 18 CYS H 1 18 CYS QB 3.180 . 3.180 2.250 2.065 2.404 . 0 0 "[ . 1 . 2]" 1
180 1 18 CYS H 1 18 CYS HB3 3.880 . 3.880 2.895 2.405 3.594 . 0 0 "[ . 1 . 2]" 1
181 1 18 CYS H 1 19 ARG H 3.620 . 3.620 3.213 2.831 3.426 . 0 0 "[ . 1 . 2]" 1
182 1 18 CYS H 1 19 ARG HB2 5.500 . 5.500 5.322 4.940 5.626 0.126 12 0 "[ . 1 . 2]" 1
183 1 18 CYS H 1 20 ASP H 5.500 . 5.500 3.743 3.640 3.863 . 0 0 "[ . 1 . 2]" 1
184 1 18 CYS H 1 20 ASP QB 5.340 . 5.340 4.267 4.018 4.481 . 0 0 "[ . 1 . 2]" 1
185 1 18 CYS H 1 21 LYS QB 5.340 . 5.340 5.293 4.670 5.604 0.264 4 0 "[ . 1 . 2]" 1
186 1 18 CYS H 1 21 LYS QG 5.340 . 5.340 4.809 4.056 5.319 . 0 0 "[ . 1 . 2]" 1
187 1 18 CYS H 1 45 LEU HB2 5.500 . 5.500 5.447 5.046 5.712 0.212 12 0 "[ . 1 . 2]" 1
188 1 18 CYS H 1 45 LEU MD1 5.300 . 5.300 4.410 3.706 4.690 . 0 0 "[ . 1 . 2]" 1
189 1 18 CYS H 1 45 LEU MD2 . . 4.710 2.670 2.242 2.961 . 0 0 "[ . 1 . 2]" 1
190 1 18 CYS H 1 45 LEU HG 5.500 . 5.500 3.902 3.075 4.221 . 0 0 "[ . 1 . 2]" 1
191 1 18 CYS HA 1 21 LYS H 4.240 . 4.240 3.964 3.608 4.424 0.184 2 0 "[ . 1 . 2]" 1
192 1 18 CYS HA 1 21 LYS QG 4.250 . 4.250 3.206 2.332 4.354 0.104 20 0 "[ . 1 . 2]" 1
193 1 18 CYS HA 1 22 VAL MG2 5.500 . 5.500 3.533 3.176 3.783 . 0 0 "[ . 1 . 2]" 1
194 1 18 CYS HA 1 45 LEU MD2 4.890 . 4.890 2.752 2.338 3.083 . 0 0 "[ . 1 . 2]" 1
195 1 18 CYS QB 1 19 ARG H 3.830 . 3.830 2.061 1.725 2.518 . 0 0 "[ . 1 . 2]" 1
196 1 18 CYS QB 1 19 ARG HA 5.040 . 5.040 4.073 3.713 4.390 . 0 0 "[ . 1 . 2]" 1
197 1 18 CYS QB 1 20 ASP H 4.450 . 4.450 4.007 3.789 4.305 . 0 0 "[ . 1 . 2]" 1
198 1 18 CYS QB 1 22 VAL MG2 5.340 . 5.340 4.146 3.444 4.638 . 0 0 "[ . 1 . 2]" 1
199 1 19 ARG H 1 19 ARG HB2 3.110 . 3.110 2.416 2.155 2.601 . 0 0 "[ . 1 . 2]" 1
200 1 19 ARG H 1 19 ARG HE 3.350 . 3.350 2.964 2.433 3.363 0.013 13 0 "[ . 1 . 2]" 1
201 1 19 ARG H 1 19 ARG HG2 4.150 . 4.150 2.771 1.865 4.127 . 0 0 "[ . 1 . 2]" 1
202 1 19 ARG H 1 19 ARG QG 3.480 . 3.480 2.611 1.856 3.709 0.229 7 0 "[ . 1 . 2]" 1
203 1 19 ARG H 1 19 ARG HG3 4.150 . 4.150 3.716 3.414 4.203 0.053 7 0 "[ . 1 . 2]" 1
204 1 19 ARG H 1 20 ASP H 3.660 . 3.660 2.639 2.150 2.870 . 0 0 "[ . 1 . 2]" 1
205 1 19 ARG H 1 20 ASP HA 5.500 . 5.500 5.116 4.729 5.341 . 0 0 "[ . 1 . 2]" 1
206 1 19 ARG H 1 20 ASP QB 5.280 . 5.280 4.180 3.703 4.719 . 0 0 "[ . 1 . 2]" 1
207 1 19 ARG H 1 21 LYS H 4.570 . 4.570 4.254 3.897 4.510 . 0 0 "[ . 1 . 2]" 1
208 1 19 ARG H 1 22 VAL MG2 5.500 . 5.500 4.063 3.854 4.272 . 0 0 "[ . 1 . 2]" 1
209 1 19 ARG H 1 28 PHE H 5.500 . 5.500 5.569 5.505 5.663 0.163 3 0 "[ . 1 . 2]" 1
210 1 19 ARG H 1 28 PHE HA 4.350 . 4.350 4.199 4.042 4.365 0.015 2 0 "[ . 1 . 2]" 1
211 1 19 ARG H 1 28 PHE QB 5.340 . 5.340 4.133 3.692 4.469 . 0 0 "[ . 1 . 2]" 1
212 1 19 ARG HA 1 19 ARG QD 3.370 . 3.370 2.587 2.311 3.049 . 0 0 "[ . 1 . 2]" 1
213 1 19 ARG HA 1 19 ARG HE 2.680 . 2.680 1.972 1.794 2.188 . 0 0 "[ . 1 . 2]" 1
214 1 19 ARG HA 1 22 VAL HB 4.620 . 4.620 4.458 4.115 4.718 0.098 8 0 "[ . 1 . 2]" 1
215 1 19 ARG HA 1 23 LYS H 3.310 . 3.310 2.480 2.280 2.666 . 0 0 "[ . 1 . 2]" 1
216 1 19 ARG HA 1 23 LYS HB2 3.430 . 3.430 2.731 2.369 3.018 . 0 0 "[ . 1 . 2]" 1
217 1 19 ARG HA 1 23 LYS HG2 4.350 . 4.350 2.997 2.552 3.318 . 0 0 "[ . 1 . 2]" 1
218 1 19 ARG HA 1 23 LYS HG3 4.990 . 4.990 3.853 3.468 4.145 . 0 0 "[ . 1 . 2]" 1
219 1 19 ARG HB2 1 19 ARG QD 3.430 . 3.430 3.016 2.312 3.407 . 0 0 "[ . 1 . 2]" 1
220 1 19 ARG HB2 1 19 ARG HE 3.950 . 3.950 3.911 3.824 4.195 0.245 11 0 "[ . 1 . 2]" 1
221 1 19 ARG HB2 1 20 ASP H 4.410 . 4.410 3.549 2.915 3.877 . 0 0 "[ . 1 . 2]" 1
222 1 19 ARG HB2 1 20 ASP HA 4.890 . 4.890 4.682 4.370 4.966 0.076 19 0 "[ . 1 . 2]" 1
223 1 19 ARG HB2 1 21 LYS H 5.500 . 5.500 5.284 4.863 5.536 0.036 6 0 "[ . 1 . 2]" 1
224 1 19 ARG HB2 1 28 PHE H 4.040 . 4.040 3.188 2.954 3.441 . 0 0 "[ . 1 . 2]" 1
225 1 19 ARG HB2 1 28 PHE HA 3.990 . 3.990 2.468 2.326 2.742 . 0 0 "[ . 1 . 2]" 1
226 1 19 ARG HB2 1 28 PHE QB 3.370 . 3.370 2.483 2.292 2.819 . 0 0 "[ . 1 . 2]" 1
227 1 19 ARG HB2 1 29 TYR H 5.500 . 5.500 5.366 5.127 5.512 0.012 3 0 "[ . 1 . 2]" 1
228 1 19 ARG HB3 1 19 ARG HE 3.940 . 3.940 3.828 3.473 4.283 0.343 18 0 "[ . 1 . 2]" 1
229 1 19 ARG HB3 1 23 LYS HA 5.220 . 5.220 5.296 5.173 5.388 0.168 18 0 "[ . 1 . 2]" 1
230 1 19 ARG HB3 1 28 PHE HA 4.370 . 4.370 3.404 3.138 3.689 . 0 0 "[ . 1 . 2]" 1
231 1 19 ARG QD 1 19 ARG HE 2.580 . 2.580 2.420 2.261 2.478 . 0 0 "[ . 1 . 2]" 1
232 1 19 ARG QD 1 22 VAL MG2 5.340 . 5.340 3.669 3.256 4.072 . 0 0 "[ . 1 . 2]" 1
233 1 19 ARG QD 1 23 LYS H 4.910 . 4.910 4.167 3.458 5.109 0.199 13 0 "[ . 1 . 2]" 1
234 1 19 ARG HE 1 19 ARG HG2 4.050 . 4.050 2.913 2.348 3.922 . 0 0 "[ . 1 . 2]" 1
235 1 19 ARG HE 1 19 ARG QG 3.400 . 3.400 2.482 2.299 2.902 . 0 0 "[ . 1 . 2]" 1
236 1 19 ARG HE 1 19 ARG HG3 4.050 . 4.050 3.298 2.327 3.928 . 0 0 "[ . 1 . 2]" 1
237 1 19 ARG HE 1 22 VAL H 4.790 . 4.790 4.463 4.119 4.764 . 0 0 "[ . 1 . 2]" 1
238 1 19 ARG HE 1 22 VAL HB 4.680 . 4.680 4.676 4.179 4.840 0.160 10 0 "[ . 1 . 2]" 1
239 1 19 ARG HE 1 22 VAL MG2 4.060 . 4.060 2.486 1.966 2.830 . 0 0 "[ . 1 . 2]" 1
240 1 19 ARG HE 1 23 LYS H 5.010 . 5.010 3.857 3.483 4.222 . 0 0 "[ . 1 . 2]" 1
241 1 19 ARG HE 1 23 LYS HB2 4.370 . 4.370 4.147 3.569 4.427 0.057 14 0 "[ . 1 . 2]" 1
242 1 19 ARG HE 1 23 LYS HG3 5.050 . 5.050 4.161 3.166 4.575 . 0 0 "[ . 1 . 2]" 1
243 1 19 ARG QG 1 28 PHE H 5.340 . 5.340 3.393 2.942 3.767 . 0 0 "[ . 1 . 2]" 1
244 1 19 ARG QG 1 28 PHE HA 4.220 . 4.220 2.370 2.254 2.598 . 0 0 "[ . 1 . 2]" 1
245 1 19 ARG QG 1 31 CYS H 4.520 . 4.520 3.830 3.398 4.268 . 0 0 "[ . 1 . 2]" 1
246 1 20 ASP H 1 20 ASP QB 2.840 . 2.840 2.301 2.157 2.446 . 0 0 "[ . 1 . 2]" 1
247 1 20 ASP H 1 21 LYS H 3.120 . 3.120 2.203 1.956 2.494 . 0 0 "[ . 1 . 2]" 1
248 1 20 ASP H 1 21 LYS HA 5.500 . 5.500 4.863 4.688 5.098 . 0 0 "[ . 1 . 2]" 1
249 1 20 ASP H 1 22 VAL H 3.760 . 3.760 3.698 3.389 4.038 0.278 15 0 "[ . 1 . 2]" 1
250 1 20 ASP H 1 28 PHE QB 5.340 . 5.340 4.724 4.072 5.175 . 0 0 "[ . 1 . 2]" 1
251 1 20 ASP HA 1 21 LYS QB 5.340 . 5.340 5.190 5.026 5.353 0.013 3 0 "[ . 1 . 2]" 1
252 1 20 ASP HA 1 22 VAL H 5.440 . 5.440 4.218 3.873 4.599 . 0 0 "[ . 1 . 2]" 1
253 1 20 ASP HA 1 23 LYS H 5.500 . 5.500 4.621 4.151 5.258 . 0 0 "[ . 1 . 2]" 1
254 1 20 ASP QB 1 21 LYS H 3.490 . 3.490 3.265 3.098 3.393 . 0 0 "[ . 1 . 2]" 1
255 1 20 ASP QB 1 22 VAL H 5.340 . 5.340 4.838 4.694 4.997 . 0 0 "[ . 1 . 2]" 1
256 1 21 LYS H 1 21 LYS HB2 3.790 . 3.790 3.408 2.301 3.800 0.010 10 0 "[ . 1 . 2]" 1
257 1 21 LYS H 1 21 LYS QB 2.960 . 2.960 2.647 2.274 2.938 . 0 0 "[ . 1 . 2]" 1
258 1 21 LYS H 1 21 LYS HB3 3.790 . 3.790 3.025 2.686 3.680 . 0 0 "[ . 1 . 2]" 1
259 1 21 LYS H 1 21 LYS HG2 3.660 . 3.660 2.622 2.025 3.900 0.240 20 0 "[ . 1 . 2]" 1
260 1 21 LYS H 1 21 LYS QG 3.070 . 3.070 2.383 2.010 3.080 0.010 5 0 "[ . 1 . 2]" 1
261 1 21 LYS H 1 21 LYS HG3 3.660 . 3.660 3.318 2.089 3.817 0.157 9 0 "[ . 1 . 2]" 1
262 1 21 LYS H 1 22 VAL H 3.060 . 3.060 1.987 1.817 2.129 . 0 0 "[ . 1 . 2]" 1
263 1 21 LYS H 1 22 VAL HB 5.080 . 5.080 5.336 5.093 5.430 0.350 18 0 "[ . 1 . 2]" 1
264 1 21 LYS H 1 22 VAL MG2 3.870 . 3.870 2.877 2.462 3.013 . 0 0 "[ . 1 . 2]" 1
265 1 21 LYS H 1 23 LYS H 4.650 . 4.650 3.690 3.341 4.179 . 0 0 "[ . 1 . 2]" 1
266 1 21 LYS HA 1 21 LYS HB2 2.950 . 2.950 2.533 2.307 3.020 0.070 3 0 "[ . 1 . 2]" 1
267 1 21 LYS HA 1 21 LYS QB 2.430 . 2.430 2.247 2.168 2.461 0.031 9 0 "[ . 1 . 2]" 1
268 1 21 LYS HA 1 21 LYS HB3 2.950 . 2.950 2.559 2.437 2.637 . 0 0 "[ . 1 . 2]" 1
269 1 21 LYS HA 1 21 LYS HG2 4.180 . 4.180 3.378 2.261 4.163 . 0 0 "[ . 1 . 2]" 1
270 1 21 LYS HA 1 21 LYS HG3 4.180 . 4.180 3.588 3.059 3.741 . 0 0 "[ . 1 . 2]" 1
271 1 21 LYS HA 1 22 VAL HA 5.500 . 5.500 4.535 4.455 4.589 . 0 0 "[ . 1 . 2]" 1
272 1 21 LYS QB 1 22 VAL H 4.480 . 4.480 3.490 2.716 3.873 . 0 0 "[ . 1 . 2]" 1
273 1 21 LYS QB 1 22 VAL MG2 5.340 . 5.340 3.616 2.647 4.091 . 0 0 "[ . 1 . 2]" 1
274 1 21 LYS QD 1 22 VAL H 4.930 . 4.930 4.570 3.780 5.126 0.196 15 0 "[ . 1 . 2]" 1
275 1 21 LYS QD 1 22 VAL MG2 4.940 . 4.940 3.705 2.241 4.788 . 0 0 "[ . 1 . 2]" 1
276 1 22 VAL H 1 22 VAL HB 3.200 . 3.200 3.506 3.356 3.622 0.422 18 0 "[ . 1 . 2]" 1
277 1 22 VAL H 1 22 VAL MG2 3.170 . 3.170 1.810 1.698 1.979 . 0 0 "[ . 1 . 2]" 1
278 1 22 VAL H 1 23 LYS H 2.810 . 2.810 2.220 1.942 2.630 . 0 0 "[ . 1 . 2]" 1
279 1 22 VAL H 1 23 LYS HG2 4.810 . 4.810 4.212 3.968 4.443 . 0 0 "[ . 1 . 2]" 1
280 1 22 VAL HB 1 23 LYS H 3.380 . 3.380 2.877 2.267 3.407 0.027 18 0 "[ . 1 . 2]" 1
281 1 22 VAL MG2 1 23 LYS H 4.630 . 4.630 1.870 1.651 2.142 . 0 0 "[ . 1 . 2]" 1
282 1 22 VAL MG2 1 23 LYS HA 5.500 . 5.500 4.298 4.009 4.574 . 0 0 "[ . 1 . 2]" 1
283 1 23 LYS H 1 23 LYS HB2 3.100 . 3.100 2.611 2.510 2.689 . 0 0 "[ . 1 . 2]" 1
284 1 23 LYS H 1 23 LYS QD 3.700 . 3.700 3.294 2.802 3.720 0.020 1 0 "[ . 1 . 2]" 1
285 1 23 LYS H 1 23 LYS HG2 3.530 . 3.530 2.276 1.885 2.679 . 0 0 "[ . 1 . 2]" 1
286 1 23 LYS H 1 24 THR HA 5.500 . 5.500 4.950 4.708 5.343 . 0 0 "[ . 1 . 2]" 1
287 1 23 LYS H 1 27 TYR HB2 5.500 . 5.500 5.131 4.826 5.509 0.009 18 0 "[ . 1 . 2]" 1
288 1 23 LYS HA 1 23 LYS QD 3.330 . 3.330 2.127 2.100 2.156 . 0 0 "[ . 1 . 2]" 1
289 1 23 LYS HA 1 23 LYS HG2 3.980 . 3.980 3.164 3.025 3.288 . 0 0 "[ . 1 . 2]" 1
290 1 23 LYS HA 1 24 THR H 3.340 . 3.340 3.146 2.990 3.348 0.008 9 0 "[ . 1 . 2]" 1
291 1 23 LYS HA 1 24 THR HA 4.790 . 4.790 4.610 4.468 4.739 . 0 0 "[ . 1 . 2]" 1
292 1 23 LYS HB2 1 24 THR H 3.060 . 3.060 2.014 1.781 2.333 . 0 0 "[ . 1 . 2]" 1
293 1 23 LYS HB2 1 24 THR HA 4.610 . 4.610 4.355 4.251 4.518 . 0 0 "[ . 1 . 2]" 1
294 1 23 LYS HB3 1 24 THR H 2.990 . 2.990 1.934 1.791 2.105 . 0 0 "[ . 1 . 2]" 1
295 1 23 LYS HB3 1 24 THR HA 5.050 . 5.050 4.678 4.568 4.758 . 0 0 "[ . 1 . 2]" 1
296 1 23 LYS HG2 1 24 THR H 4.710 . 4.710 4.245 4.121 4.392 . 0 0 "[ . 1 . 2]" 1
297 1 23 LYS HG3 1 24 THR H 4.370 . 4.370 4.040 3.987 4.145 . 0 0 "[ . 1 . 2]" 1
298 1 24 THR H 1 24 THR HB 3.770 . 3.770 3.316 2.983 3.536 . 0 0 "[ . 1 . 2]" 1
299 1 24 THR H 1 24 THR MG 3.670 . 3.670 2.119 1.913 2.459 . 0 0 "[ . 1 . 2]" 1
300 1 24 THR H 1 25 ASP H 4.700 . 4.700 4.349 4.240 4.498 . 0 0 "[ . 1 . 2]" 1
301 1 24 THR H 1 27 TYR H 4.280 . 4.280 3.240 3.101 3.587 . 0 0 "[ . 1 . 2]" 1
302 1 24 THR H 1 27 TYR HB2 4.360 . 4.360 2.354 1.928 2.760 . 0 0 "[ . 1 . 2]" 1
303 1 24 THR H 1 27 TYR HB3 4.130 . 4.130 3.769 2.901 4.166 0.036 20 0 "[ . 1 . 2]" 1
304 1 24 THR HA 1 25 ASP H 3.030 . 3.030 2.661 2.433 2.858 . 0 0 "[ . 1 . 2]" 1
305 1 24 THR HB 1 27 TYR HB2 5.500 . 5.500 5.253 4.636 5.568 0.068 16 0 "[ . 1 . 2]" 1
306 1 24 THR MG 1 25 ASP H 4.200 . 4.200 2.994 2.340 3.433 . 0 0 "[ . 1 . 2]" 1
307 1 24 THR MG 1 27 TYR H 4.610 . 4.610 2.297 1.962 2.725 . 0 0 "[ . 1 . 2]" 1
308 1 24 THR MG 1 27 TYR HB2 5.500 . 5.500 2.848 2.305 3.261 . 0 0 "[ . 1 . 2]" 1
309 1 24 THR MG 1 28 PHE H 4.930 . 4.930 4.103 3.774 4.446 . 0 0 "[ . 1 . 2]" 1
310 1 25 ASP H 1 25 ASP HA 2.850 . 2.850 2.834 2.799 2.865 0.015 20 0 "[ . 1 . 2]" 1
311 1 25 ASP H 1 25 ASP QB 3.000 . 3.000 2.356 2.047 2.819 . 0 0 "[ . 1 . 2]" 1
312 1 25 ASP HA 1 26 GLY QA 5.340 . 5.340 4.476 4.270 4.559 . 0 0 "[ . 1 . 2]" 1
313 1 25 ASP HA 1 27 TYR H 4.770 . 4.770 4.164 3.667 4.755 . 0 0 "[ . 1 . 2]" 1
314 1 25 ASP QB 1 26 GLY H 4.130 . 4.130 3.090 2.325 3.938 . 0 0 "[ . 1 . 2]" 1
315 1 25 ASP QB 1 28 PHE H 5.340 . 5.340 4.844 4.439 5.223 . 0 0 "[ . 1 . 2]" 1
316 1 26 GLY H 1 27 TYR H 3.550 . 3.550 2.678 2.074 2.969 . 0 0 "[ . 1 . 2]" 1
317 1 26 GLY H 1 27 TYR HA 5.500 . 5.500 5.290 4.740 5.511 0.011 4 0 "[ . 1 . 2]" 1
318 1 26 GLY H 1 27 TYR HB2 5.500 . 5.500 4.557 3.803 4.882 . 0 0 "[ . 1 . 2]" 1
319 1 26 GLY H 1 28 PHE H 5.330 . 5.330 4.105 3.653 4.576 . 0 0 "[ . 1 . 2]" 1
320 1 26 GLY H 1 28 PHE QB 5.340 . 5.340 4.683 4.226 5.128 . 0 0 "[ . 1 . 2]" 1
321 1 26 GLY QA 1 27 TYR HB2 5.340 . 5.340 4.554 4.420 4.642 . 0 0 "[ . 1 . 2]" 1
322 1 26 GLY QA 1 28 PHE H 4.680 . 4.680 4.133 3.707 4.478 . 0 0 "[ . 1 . 2]" 1
323 1 26 GLY QA 1 29 TYR H 4.320 . 4.320 3.893 3.550 4.367 0.047 1 0 "[ . 1 . 2]" 1
324 1 26 GLY HA2 1 28 PHE H 5.500 . 5.500 4.541 3.923 4.899 . 0 0 "[ . 1 . 2]" 1
325 1 26 GLY HA3 1 28 PHE H 5.500 . 5.500 4.767 4.362 5.182 . 0 0 "[ . 1 . 2]" 1
326 1 27 TYR H 1 27 TYR HB2 3.200 . 3.200 2.170 2.069 2.277 . 0 0 "[ . 1 . 2]" 1
327 1 27 TYR H 1 27 TYR HB3 3.600 . 3.600 3.391 3.065 3.515 . 0 0 "[ . 1 . 2]" 1
328 1 27 TYR H 1 28 PHE H 3.640 . 3.640 2.489 2.066 2.749 . 0 0 "[ . 1 . 2]" 1
329 1 27 TYR H 1 28 PHE QB 4.890 . 4.890 4.146 3.778 4.368 . 0 0 "[ . 1 . 2]" 1
330 1 27 TYR HA 1 30 GLU QB 3.740 . 3.740 2.703 2.251 3.673 . 0 0 "[ . 1 . 2]" 1
331 1 27 TYR HA 1 30 GLU QG 4.450 . 4.450 3.909 2.628 4.480 0.030 1 0 "[ . 1 . 2]" 1
332 1 27 TYR HB2 1 28 PHE H 3.850 . 3.850 3.004 2.680 3.536 . 0 0 "[ . 1 . 2]" 1
333 1 27 TYR HB2 1 28 PHE QB 5.340 . 5.340 4.723 4.322 5.189 . 0 0 "[ . 1 . 2]" 1
334 1 27 TYR HB3 1 28 PHE H 3.660 . 3.660 3.199 2.664 3.625 . 0 0 "[ . 1 . 2]" 1
335 1 27 TYR HB3 1 28 PHE HA 5.450 . 5.450 4.017 3.779 4.233 . 0 0 "[ . 1 . 2]" 1
336 1 27 TYR HB3 1 31 CYS H 5.500 . 5.500 4.749 4.283 5.422 . 0 0 "[ . 1 . 2]" 1
337 1 28 PHE H 1 28 PHE QB 2.810 . 2.810 2.158 2.073 2.274 . 0 0 "[ . 1 . 2]" 1
338 1 28 PHE H 1 29 TYR H 3.660 . 3.660 2.871 2.732 3.024 . 0 0 "[ . 1 . 2]" 1
339 1 28 PHE H 1 29 TYR HA 5.500 . 5.500 5.443 5.317 5.560 0.060 9 0 "[ . 1 . 2]" 1
340 1 28 PHE H 1 31 CYS H 5.500 . 5.500 4.928 4.669 5.746 0.246 1 0 "[ . 1 . 2]" 1
341 1 28 PHE HA 1 30 GLU H 4.720 . 4.720 4.528 3.880 4.756 0.036 5 0 "[ . 1 . 2]" 1
342 1 28 PHE HA 1 31 CYS H 4.540 . 4.540 3.554 3.102 3.811 . 0 0 "[ . 1 . 2]" 1
343 1 28 PHE HA 1 31 CYS QB 4.670 . 4.670 3.158 2.365 4.806 0.136 1 0 "[ . 1 . 2]" 1
344 1 28 PHE QB 1 29 TYR H 3.470 . 3.470 2.900 2.542 3.615 0.145 1 0 "[ . 1 . 2]" 1
345 1 29 TYR H 1 30 GLU H 3.470 . 3.470 2.680 2.485 2.896 . 0 0 "[ . 1 . 2]" 1
346 1 29 TYR H 1 30 GLU HA 5.500 . 5.500 5.284 5.075 5.464 . 0 0 "[ . 1 . 2]" 1
347 1 29 TYR H 1 31 CYS H 4.820 . 4.820 4.121 3.845 4.606 . 0 0 "[ . 1 . 2]" 1
348 1 29 TYR H 1 32 CYS HB2 5.500 . 5.500 4.971 4.591 5.349 . 0 0 "[ . 1 . 2]" 1
349 1 29 TYR HA 1 31 CYS H 4.460 . 4.460 4.321 4.084 4.532 0.072 1 0 "[ . 1 . 2]" 1
350 1 29 TYR HA 1 32 CYS H 3.910 . 3.910 3.465 3.241 3.753 . 0 0 "[ . 1 . 2]" 1
351 1 29 TYR HA 1 32 CYS HB2 3.910 . 3.910 2.691 2.352 3.278 . 0 0 "[ . 1 . 2]" 1
352 1 29 TYR HA 1 33 THR H 4.540 . 4.540 4.384 4.021 4.581 0.041 8 0 "[ . 1 . 2]" 1
353 1 29 TYR HA 1 33 THR MG 4.860 . 4.860 3.937 3.326 4.122 . 0 0 "[ . 1 . 2]" 1
354 1 29 TYR QB 1 30 GLU H 3.840 . 3.840 2.542 2.348 2.968 . 0 0 "[ . 1 . 2]" 1
355 1 29 TYR QB 1 30 GLU QG 5.180 . 5.180 4.188 2.914 5.083 . 0 0 "[ . 1 . 2]" 1
356 1 30 GLU H 1 30 GLU HB2 3.460 . 3.460 2.223 2.073 3.506 0.046 16 0 "[ . 1 . 2]" 1
357 1 30 GLU H 1 30 GLU QB 2.920 . 2.920 2.135 2.052 2.572 . 0 0 "[ . 1 . 2]" 1
358 1 30 GLU H 1 30 GLU HB3 3.460 . 3.460 3.356 2.200 3.576 0.116 2 0 "[ . 1 . 2]" 1
359 1 30 GLU H 1 30 GLU HG2 4.460 . 4.460 3.793 2.572 4.328 . 0 0 "[ . 1 . 2]" 1
360 1 30 GLU H 1 30 GLU HG3 4.460 . 4.460 3.618 2.144 4.251 . 0 0 "[ . 1 . 2]" 1
361 1 30 GLU H 1 31 CYS H 3.650 . 3.650 2.741 2.516 2.913 . 0 0 "[ . 1 . 2]" 1
362 1 30 GLU H 1 31 CYS HA 5.500 . 5.500 5.328 5.144 5.459 . 0 0 "[ . 1 . 2]" 1
363 1 30 GLU H 1 32 CYS H 4.460 . 4.460 4.266 4.081 4.615 0.155 15 0 "[ . 1 . 2]" 1
364 1 30 GLU H 1 32 CYS HB2 5.500 . 5.500 5.169 4.852 5.517 0.017 16 0 "[ . 1 . 2]" 1
365 1 30 GLU H 1 33 THR MG 5.500 . 5.500 4.733 4.011 4.847 . 0 0 "[ . 1 . 2]" 1
366 1 30 GLU HA 1 30 GLU QG 3.740 . 3.740 2.312 2.135 3.233 . 0 0 "[ . 1 . 2]" 1
367 1 30 GLU HA 1 33 THR H 3.990 . 3.990 3.641 3.169 4.047 0.057 1 0 "[ . 1 . 2]" 1
368 1 30 GLU HA 1 33 THR HB 5.500 . 5.500 4.814 4.345 5.245 . 0 0 "[ . 1 . 2]" 1
369 1 30 GLU HA 1 33 THR MG 5.500 . 5.500 3.333 2.237 3.999 . 0 0 "[ . 1 . 2]" 1
370 1 30 GLU HA 1 34 SER H 4.310 . 4.310 3.927 2.990 4.373 0.063 15 0 "[ . 1 . 2]" 1
371 1 30 GLU QB 1 31 CYS H 3.570 . 3.570 2.754 2.461 3.500 . 0 0 "[ . 1 . 2]" 1
372 1 30 GLU QB 1 34 SER H 5.020 . 5.020 4.581 3.991 4.987 . 0 0 "[ . 1 . 2]" 1
373 1 30 GLU QB 1 37 THR MG 4.810 . 4.810 4.008 2.796 4.382 . 0 0 "[ . 1 . 2]" 1
374 1 30 GLU HB2 1 37 THR MG 5.500 . 5.500 5.017 4.174 5.232 . 0 0 "[ . 1 . 2]" 1
375 1 30 GLU HB3 1 37 THR MG 5.500 . 5.500 4.277 2.840 5.172 . 0 0 "[ . 1 . 2]" 1
376 1 30 GLU QG 1 34 SER H 5.340 . 5.340 5.158 4.221 5.486 0.146 3 0 "[ . 1 . 2]" 1
377 1 31 CYS H 1 31 CYS HB2 3.120 . 3.120 3.098 2.268 3.530 0.410 6 0 "[ . 1 . 2]" 1
378 1 31 CYS H 1 31 CYS QB 2.720 . 2.720 2.241 2.050 2.932 0.212 1 0 "[ . 1 . 2]" 1
379 1 31 CYS H 1 31 CYS HB3 3.120 . 3.120 2.423 2.073 3.282 0.162 1 0 "[ . 1 . 2]" 1
380 1 31 CYS H 1 32 CYS H 3.330 . 3.330 2.619 2.512 2.764 . 0 0 "[ . 1 . 2]" 1
381 1 31 CYS H 1 33 THR H 5.040 . 5.040 4.047 3.899 4.209 . 0 0 "[ . 1 . 2]" 1
382 1 31 CYS H 1 37 THR MG 4.340 . 4.340 4.017 3.637 4.195 . 0 0 "[ . 1 . 2]" 1
383 1 31 CYS HA 1 34 SER HB2 4.370 . 4.370 3.546 2.358 4.405 0.035 16 0 "[ . 1 . 2]" 1
384 1 31 CYS HA 1 34 SER QB 3.540 . 3.540 2.850 2.343 3.695 0.155 13 0 "[ . 1 . 2]" 1
385 1 31 CYS HA 1 34 SER HB3 4.370 . 4.370 3.400 2.426 4.295 . 0 0 "[ . 1 . 2]" 1
386 1 31 CYS HA 1 37 THR H 4.860 . 4.860 4.771 4.237 4.922 0.062 2 0 "[ . 1 . 2]" 1
387 1 31 CYS HA 1 37 THR MG 3.150 . 3.150 2.625 2.281 3.040 . 0 0 "[ . 1 . 2]" 1
388 1 31 CYS HA 1 38 PHE H 4.250 . 4.250 3.923 3.193 4.228 . 0 0 "[ . 1 . 2]" 1
389 1 31 CYS QB 1 32 CYS H 3.830 . 3.830 2.979 2.594 3.355 . 0 0 "[ . 1 . 2]" 1
390 1 31 CYS QB 1 37 THR MG . . 4.780 2.457 1.992 3.323 . 0 0 "[ . 1 . 2]" 1
391 1 31 CYS HB2 1 37 THR MG 5.500 . 5.500 2.649 2.120 4.082 . 0 0 "[ . 1 . 2]" 1
392 1 31 CYS HB3 1 37 THR MG 5.500 . 5.500 3.228 2.420 4.547 . 0 0 "[ . 1 . 2]" 1
393 1 32 CYS H 1 32 CYS HB2 3.000 . 3.000 2.132 2.059 2.393 . 0 0 "[ . 1 . 2]" 1
394 1 32 CYS H 1 32 CYS HB3 3.550 . 3.550 3.266 2.905 3.592 0.042 5 0 "[ . 1 . 2]" 1
395 1 32 CYS H 1 33 THR H 3.540 . 3.540 2.714 2.454 2.927 . 0 0 "[ . 1 . 2]" 1
396 1 32 CYS H 1 33 THR HA 5.500 . 5.500 5.338 5.131 5.507 0.007 15 0 "[ . 1 . 2]" 1
397 1 32 CYS H 1 33 THR MG 4.900 . 4.900 4.077 3.369 4.384 . 0 0 "[ . 1 . 2]" 1
398 1 32 CYS H 1 34 SER H 4.400 . 4.400 4.300 3.592 4.466 0.066 1 0 "[ . 1 . 2]" 1
399 1 32 CYS HB2 1 33 THR H 3.750 . 3.750 3.278 2.781 3.677 . 0 0 "[ . 1 . 2]" 1
400 1 32 CYS HB2 1 33 THR MG 4.140 . 4.140 3.703 3.046 4.002 . 0 0 "[ . 1 . 2]" 1
401 1 32 CYS HB3 1 33 THR H 3.460 . 3.460 3.056 2.834 3.521 0.061 12 0 "[ . 1 . 2]" 1
402 1 32 CYS HB3 1 33 THR HA 4.290 . 4.290 4.016 3.926 4.251 . 0 0 "[ . 1 . 2]" 1
403 1 32 CYS HB3 1 33 THR MG 4.590 . 4.590 2.998 2.698 3.511 . 0 0 "[ . 1 . 2]" 1
404 1 33 THR H 1 33 THR HB 3.690 . 3.690 3.614 3.478 3.653 . 0 0 "[ . 1 . 2]" 1
405 1 33 THR H 1 33 THR MG 3.580 . 3.580 2.159 1.694 2.521 . 0 0 "[ . 1 . 2]" 1
406 1 33 THR H 1 34 SER H 3.100 . 3.100 2.480 2.281 2.661 . 0 0 "[ . 1 . 2]" 1
407 1 33 THR H 1 34 SER QB 4.780 . 4.780 4.315 4.057 4.537 . 0 0 "[ . 1 . 2]" 1
408 1 33 THR MG 1 34 SER H 4.740 . 4.740 3.677 2.440 3.947 . 0 0 "[ . 1 . 2]" 1
409 1 34 SER H 1 34 SER HB2 3.620 . 3.620 2.490 2.095 3.672 0.052 13 0 "[ . 1 . 2]" 1
410 1 34 SER H 1 34 SER QB 2.870 . 2.870 2.245 2.070 2.739 . 0 0 "[ . 1 . 2]" 1
411 1 34 SER H 1 34 SER HB3 3.620 . 3.620 3.000 2.338 3.593 . 0 0 "[ . 1 . 2]" 1
412 1 34 SER H 1 35 ASP H 4.940 . 4.940 4.583 4.454 4.632 . 0 0 "[ . 1 . 2]" 1
413 1 34 SER HA 1 35 ASP H 3.040 . 3.040 2.219 2.145 2.281 . 0 0 "[ . 1 . 2]" 1
414 1 34 SER HA 1 35 ASP QB 5.340 . 5.340 4.252 3.989 4.710 . 0 0 "[ . 1 . 2]" 1
415 1 34 SER HA 1 36 SER H 4.820 . 4.820 4.368 3.708 4.691 . 0 0 "[ . 1 . 2]" 1
416 1 34 SER HA 1 37 THR H 5.500 . 5.500 4.789 4.417 5.314 . 0 0 "[ . 1 . 2]" 1
417 1 34 SER QB 1 35 ASP H 3.970 . 3.970 3.276 2.709 3.749 . 0 0 "[ . 1 . 2]" 1
418 1 34 SER QB 1 37 THR MG 5.340 . 5.340 3.674 3.291 4.408 . 0 0 "[ . 1 . 2]" 1
419 1 35 ASP H 1 35 ASP HB2 3.790 . 3.790 2.534 2.132 3.468 . 0 0 "[ . 1 . 2]" 1
420 1 35 ASP H 1 35 ASP QB 3.210 . 3.210 2.383 2.111 2.980 . 0 0 "[ . 1 . 2]" 1
421 1 35 ASP H 1 35 ASP HB3 3.790 . 3.790 3.205 2.496 3.651 . 0 0 "[ . 1 . 2]" 1
422 1 35 ASP H 1 36 SER H 3.870 . 3.870 2.487 2.346 2.616 . 0 0 "[ . 1 . 2]" 1
423 1 35 ASP H 1 37 THR H 5.500 . 5.500 3.906 3.540 4.335 . 0 0 "[ . 1 . 2]" 1
424 1 35 ASP H 1 37 THR HB 5.500 . 5.500 5.280 4.968 5.531 0.031 5 0 "[ . 1 . 2]" 1
425 1 35 ASP H 1 38 PHE HB3 5.450 . 5.450 5.069 4.667 5.458 0.008 5 0 "[ . 1 . 2]" 1
426 1 35 ASP HA 1 38 PHE HB3 3.050 . 3.050 2.576 2.339 2.939 . 0 0 "[ . 1 . 2]" 1
427 1 35 ASP HA 1 39 LYS H 4.490 . 4.490 4.185 3.864 4.503 0.013 10 0 "[ . 1 . 2]" 1
428 1 35 ASP QB 1 36 SER HA 4.390 . 4.390 3.799 3.613 4.080 . 0 0 "[ . 1 . 2]" 1
429 1 35 ASP QB 1 36 SER QB 4.320 . 4.320 3.992 3.686 4.314 . 0 0 "[ . 1 . 2]" 1
430 1 35 ASP HB2 1 36 SER H 3.850 . 3.850 2.915 2.064 3.827 . 0 0 "[ . 1 . 2]" 1
431 1 35 ASP HB3 1 36 SER H 3.850 . 3.850 2.967 2.052 3.838 . 0 0 "[ . 1 . 2]" 1
432 1 36 SER H 1 36 SER QB 2.890 . 2.890 2.216 2.074 2.601 . 0 0 "[ . 1 . 2]" 1
433 1 36 SER H 1 37 THR H 3.450 . 3.450 2.909 2.685 3.216 . 0 0 "[ . 1 . 2]" 1
434 1 36 SER HA 1 39 LYS H 3.980 . 3.980 3.676 3.294 3.992 0.012 4 0 "[ . 1 . 2]" 1
435 1 36 SER QB 1 37 THR H 3.330 . 3.330 2.708 2.001 3.328 . 0 0 "[ . 1 . 2]" 1
436 1 37 THR H 1 37 THR HA 2.910 . 2.910 2.843 2.719 2.946 0.036 19 0 "[ . 1 . 2]" 1
437 1 37 THR H 1 37 THR HB 3.310 . 3.310 2.697 2.468 2.968 . 0 0 "[ . 1 . 2]" 1
438 1 37 THR H 1 38 PHE H 3.670 . 3.670 2.657 2.111 3.096 . 0 0 "[ . 1 . 2]" 1
439 1 37 THR H 1 38 PHE HB3 5.210 . 5.210 4.495 3.957 4.928 . 0 0 "[ . 1 . 2]" 1
440 1 37 THR H 1 39 LYS H 4.600 . 4.600 3.868 3.417 4.082 . 0 0 "[ . 1 . 2]" 1
441 1 37 THR HA 1 37 THR MG 3.300 . 3.300 2.282 2.221 2.329 . 0 0 "[ . 1 . 2]" 1
442 1 37 THR HA 1 39 LYS H 4.470 . 4.470 4.100 3.686 4.473 0.003 16 0 "[ . 1 . 2]" 1
443 1 37 THR HB 1 38 PHE HA 4.230 . 4.230 4.055 3.885 4.202 . 0 0 "[ . 1 . 2]" 1
444 1 37 THR MG 1 38 PHE H 4.340 . 4.340 3.558 3.152 3.826 . 0 0 "[ . 1 . 2]" 1
445 1 38 PHE H 1 38 PHE HB3 3.080 . 3.080 2.221 2.075 2.436 . 0 0 "[ . 1 . 2]" 1
446 1 38 PHE H 1 39 LYS H 3.330 . 3.330 2.697 2.526 2.861 . 0 0 "[ . 1 . 2]" 1
447 1 38 PHE H 1 40 LYS H 4.830 . 4.830 4.120 3.915 4.261 . 0 0 "[ . 1 . 2]" 1
448 1 38 PHE H 1 41 CYS QB 4.980 . 4.980 4.735 4.374 5.027 0.047 17 0 "[ . 1 . 2]" 1
449 1 38 PHE HA 1 40 LYS H 5.050 . 5.050 4.035 3.684 4.467 . 0 0 "[ . 1 . 2]" 1
450 1 38 PHE HA 1 41 CYS H 4.100 . 4.100 3.269 3.085 3.513 . 0 0 "[ . 1 . 2]" 1
451 1 38 PHE HA 1 41 CYS QB 3.090 . 3.090 2.438 2.321 2.715 . 0 0 "[ . 1 . 2]" 1
452 1 38 PHE HA 1 42 GLN H 4.270 . 4.270 3.810 3.350 4.257 . 0 0 "[ . 1 . 2]" 1
453 1 38 PHE HB3 1 39 LYS H 3.300 . 3.300 3.018 2.703 3.326 0.026 19 0 "[ . 1 . 2]" 1
454 1 39 LYS H 1 39 LYS QB 2.850 . 2.850 2.217 2.041 2.462 . 0 0 "[ . 1 . 2]" 1
455 1 39 LYS H 1 40 LYS H 3.170 . 3.170 2.514 2.352 2.623 . 0 0 "[ . 1 . 2]" 1
456 1 39 LYS HA 1 39 LYS QB 2.630 . 2.630 2.408 2.169 2.540 . 0 0 "[ . 1 . 2]" 1
457 1 39 LYS HA 1 39 LYS QG 3.590 . 3.590 2.449 2.145 3.392 . 0 0 "[ . 1 . 2]" 1
458 1 39 LYS HA 1 42 GLN HB3 4.630 . 4.630 4.135 3.293 4.654 0.024 8 0 "[ . 1 . 2]" 1
459 1 39 LYS HA 1 43 ASP H 4.510 . 4.510 4.505 4.240 4.654 0.144 2 0 "[ . 1 . 2]" 1
460 1 40 LYS H 1 40 LYS HB2 3.370 . 3.370 2.580 2.328 2.969 . 0 0 "[ . 1 . 2]" 1
461 1 40 LYS H 1 40 LYS HB3 2.840 . 2.840 2.626 2.318 2.875 0.035 17 0 "[ . 1 . 2]" 1
462 1 40 LYS H 1 40 LYS QG 4.340 . 4.340 3.962 3.855 4.056 . 0 0 "[ . 1 . 2]" 1
463 1 40 LYS H 1 41 CYS H 3.360 . 3.360 2.320 2.239 2.429 . 0 0 "[ . 1 . 2]" 1
464 1 40 LYS H 1 41 CYS HA 5.500 . 5.500 4.979 4.901 5.076 . 0 0 "[ . 1 . 2]" 1
465 1 40 LYS H 1 42 GLN H 4.840 . 4.840 4.320 3.829 4.660 . 0 0 "[ . 1 . 2]" 1
466 1 40 LYS HA 1 40 LYS QG 3.170 . 3.170 2.314 2.189 2.484 . 0 0 "[ . 1 . 2]" 1
467 1 40 LYS HA 1 43 ASP H 3.710 . 3.710 3.738 3.592 3.819 0.109 2 0 "[ . 1 . 2]" 1
468 1 40 LYS HA 1 43 ASP HB2 3.970 . 3.970 3.096 2.630 3.876 . 0 0 "[ . 1 . 2]" 1
469 1 40 LYS HA 1 43 ASP HB3 4.340 . 4.340 3.481 2.756 4.239 . 0 0 "[ . 1 . 2]" 1
470 1 40 LYS HA 1 44 LEU H 5.080 . 5.080 4.941 4.644 5.231 0.151 12 0 "[ . 1 . 2]" 1
471 1 40 LYS HB3 1 41 CYS H 3.260 . 3.260 2.946 2.603 3.304 0.044 2 0 "[ . 1 . 2]" 1
472 1 40 LYS HB3 1 41 CYS HA 4.950 . 4.950 4.227 3.965 4.541 . 0 0 "[ . 1 . 2]" 1
473 1 40 LYS QG 1 43 ASP H 5.070 . 5.070 4.920 4.551 5.098 0.028 1 0 "[ . 1 . 2]" 1
474 1 41 CYS H 1 41 CYS QB 2.960 . 2.960 2.184 2.123 2.254 . 0 0 "[ . 1 . 2]" 1
475 1 41 CYS H 1 42 GLN H 3.030 . 3.030 2.668 2.153 2.951 . 0 0 "[ . 1 . 2]" 1
476 1 41 CYS H 1 43 ASP H 4.310 . 4.310 3.834 3.606 4.107 . 0 0 "[ . 1 . 2]" 1
477 1 41 CYS H 1 44 LEU H 5.500 . 5.500 4.892 4.669 5.119 . 0 0 "[ . 1 . 2]" 1
478 1 41 CYS HA 1 43 ASP H 5.370 . 5.370 4.075 3.853 4.285 . 0 0 "[ . 1 . 2]" 1
479 1 41 CYS HA 1 44 LEU H 3.980 . 3.980 3.368 3.147 3.593 . 0 0 "[ . 1 . 2]" 1
480 1 41 CYS HA 1 44 LEU QB 3.570 . 3.570 2.908 2.400 3.545 . 0 0 "[ . 1 . 2]" 1
481 1 41 CYS HA 1 44 LEU HG 5.410 . 5.410 4.287 2.617 5.060 . 0 0 "[ . 1 . 2]" 1
482 1 41 CYS HA 1 45 LEU H 5.500 . 5.500 4.363 3.783 5.086 . 0 0 "[ . 1 . 2]" 1
483 1 41 CYS HA 1 45 LEU MD2 5.500 . 5.500 4.171 3.670 4.876 . 0 0 "[ . 1 . 2]" 1
484 1 41 CYS QB 1 42 GLN H 3.320 . 3.320 2.407 2.101 3.036 . 0 0 "[ . 1 . 2]" 1
485 1 41 CYS QB 1 42 GLN HB3 4.370 . 4.370 4.140 3.923 4.391 0.021 4 0 "[ . 1 . 2]" 1
486 1 41 CYS QB 1 43 ASP H 5.030 . 5.030 4.412 4.168 4.767 . 0 0 "[ . 1 . 2]" 1
487 1 42 GLN H 1 42 GLN HB3 2.860 . 2.860 2.411 2.239 2.662 . 0 0 "[ . 1 . 2]" 1
488 1 42 GLN H 1 42 GLN QG 3.000 . 3.000 2.322 1.985 2.657 . 0 0 "[ . 1 . 2]" 1
489 1 42 GLN H 1 43 ASP H 3.310 . 3.310 2.778 2.418 2.929 . 0 0 "[ . 1 . 2]" 1
490 1 42 GLN H 1 43 ASP HB2 5.500 . 5.500 4.843 4.541 5.145 . 0 0 "[ . 1 . 2]" 1
491 1 42 GLN H 1 44 LEU H 4.290 . 4.290 4.207 3.992 4.312 0.022 18 0 "[ . 1 . 2]" 1
492 1 42 GLN H 1 46 HIS H 5.500 . 5.500 5.658 5.246 5.783 0.283 16 0 "[ . 1 . 2]" 1
493 1 42 GLN HA 1 42 GLN HB3 2.860 . 2.860 2.505 2.366 2.619 . 0 0 "[ . 1 . 2]" 1
494 1 42 GLN HA 1 44 LEU H 4.200 . 4.200 4.044 3.751 4.231 0.031 16 0 "[ . 1 . 2]" 1
495 1 42 GLN HA 1 45 LEU H 3.600 . 3.600 3.405 3.213 3.625 0.025 15 0 "[ . 1 . 2]" 1
496 1 42 GLN HA 1 45 LEU MD2 5.190 . 5.190 3.957 2.250 4.370 . 0 0 "[ . 1 . 2]" 1
497 1 42 GLN HA 1 46 HIS H 4.710 . 4.710 3.337 2.672 3.636 . 0 0 "[ . 1 . 2]" 1
498 1 42 GLN HB3 1 43 ASP H 4.070 . 4.070 3.913 3.721 4.081 0.011 4 0 "[ . 1 . 2]" 1
499 1 42 GLN QG 1 43 ASP H 3.230 . 3.230 1.944 1.795 2.268 . 0 0 "[ . 1 . 2]" 1
500 1 43 ASP H 1 43 ASP HB2 3.050 . 3.050 2.275 2.069 2.705 . 0 0 "[ . 1 . 2]" 1
501 1 43 ASP H 1 43 ASP HB3 3.370 . 3.370 2.876 2.414 3.227 . 0 0 "[ . 1 . 2]" 1
502 1 43 ASP H 1 44 LEU H 3.240 . 3.240 2.612 2.431 2.734 . 0 0 "[ . 1 . 2]" 1
503 1 43 ASP H 1 44 LEU HA 5.290 . 5.290 5.241 5.068 5.349 0.059 9 0 "[ . 1 . 2]" 1
504 1 43 ASP H 1 45 LEU H 4.630 . 4.630 4.362 4.169 4.631 0.001 14 0 "[ . 1 . 2]" 1
505 1 43 ASP H 1 46 HIS H 5.500 . 5.500 4.746 4.524 4.981 . 0 0 "[ . 1 . 2]" 1
506 1 43 ASP HA 1 45 LEU H 5.250 . 5.250 4.851 4.531 5.096 . 0 0 "[ . 1 . 2]" 1
507 1 43 ASP HB2 1 44 LEU H 4.250 . 4.250 3.700 3.295 4.131 . 0 0 "[ . 1 . 2]" 1
508 1 43 ASP HB3 1 44 LEU H 3.840 . 3.840 2.908 2.592 3.273 . 0 0 "[ . 1 . 2]" 1
509 1 43 ASP HB3 1 45 LEU H 5.500 . 5.500 5.350 5.148 5.554 0.054 5 0 "[ . 1 . 2]" 1
510 1 44 LEU H 1 44 LEU QB 3.080 . 3.080 2.208 2.058 2.586 . 0 0 "[ . 1 . 2]" 1
511 1 44 LEU H 1 44 LEU HG 3.390 . 3.390 3.068 1.903 3.948 0.558 5 1 "[ + 1 . 2]" 1
512 1 44 LEU H 1 45 LEU H 3.180 . 3.180 2.565 2.360 2.766 . 0 0 "[ . 1 . 2]" 1
513 1 44 LEU H 1 45 LEU HB2 4.820 . 4.820 4.436 4.072 4.967 0.147 10 0 "[ . 1 . 2]" 1
514 1 44 LEU H 1 45 LEU MD2 4.900 . 4.900 4.003 2.896 4.465 . 0 0 "[ . 1 . 2]" 1
515 1 44 LEU H 1 46 HIS H 5.500 . 5.500 4.054 3.707 4.510 . 0 0 "[ . 1 . 2]" 1
516 1 44 LEU HA 1 45 LEU MD2 5.200 . 5.200 4.529 3.953 4.913 . 0 0 "[ . 1 . 2]" 1
517 1 44 LEU QB 1 45 LEU H 3.460 . 3.460 2.469 2.182 2.696 . 0 0 "[ . 1 . 2]" 1
518 1 44 LEU QB 1 45 LEU MD2 . . 3.500 2.611 2.002 3.182 . 0 0 "[ . 1 . 2]" 1
519 1 45 LEU H 1 45 LEU HB2 2.900 . 2.900 2.181 2.072 2.644 . 0 0 "[ . 1 . 2]" 1
520 1 45 LEU H 1 45 LEU MD2 . . 3.600 2.130 1.602 2.315 . 0 0 "[ . 1 . 2]" 1
521 1 45 LEU H 1 46 HIS H 2.730 . 2.730 2.725 2.429 2.836 0.106 6 0 "[ . 1 . 2]" 1
522 1 45 LEU H 1 46 HIS HA 5.500 . 5.500 5.111 4.710 5.397 . 0 0 "[ . 1 . 2]" 1
523 1 45 LEU HB2 1 45 LEU MD2 . . 3.140 2.316 2.161 2.367 . 0 0 "[ . 1 . 2]" 1
524 1 45 LEU HB2 1 46 HIS H 3.650 . 3.650 2.712 1.951 2.971 . 0 0 "[ . 1 . 2]" 1
525 1 45 LEU HB3 1 46 HIS H 3.550 . 3.550 2.990 2.688 3.558 0.008 7 0 "[ . 1 . 2]" 1
526 1 45 LEU HB3 1 46 HIS QB 4.990 . 4.990 4.018 3.050 4.905 . 0 0 "[ . 1 . 2]" 1
527 1 45 LEU MD2 1 46 HIS H 5.000 . 5.000 4.035 2.957 4.303 . 0 0 "[ . 1 . 2]" 1
528 1 46 HIS H 1 46 HIS HB2 3.750 . 3.750 2.959 2.357 3.910 0.160 12 0 "[ . 1 . 2]" 1
529 1 46 HIS H 1 46 HIS QB 3.280 . 3.280 2.729 2.230 3.269 . 0 0 "[ . 1 . 2]" 1
530 1 46 HIS H 1 46 HIS HB3 3.750 . 3.750 3.361 2.605 3.823 0.073 1 0 "[ . 1 . 2]" 1
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