NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609798 |
2n86   |
25836 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n86
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 292
_Distance_constraint_stats_list.Viol_count 960
_Distance_constraint_stats_list.Viol_total 2599.711
_Distance_constraint_stats_list.Viol_max 1.253
_Distance_constraint_stats_list.Viol_rms 0.0832
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0223
_Distance_constraint_stats_list.Viol_average_violations_only 0.1354
_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 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.108 0.108 14 0 "[ . 1 . 2]"
1 6 ASN 5.877 0.666 9 4 "[ . +1 * - *2]"
1 7 ASN 10.668 0.921 13 3 "[ . 1 + - * 2]"
1 8 LYS 2.595 0.673 19 2 "[ . - 1 . +2]"
1 9 CYS 1.972 0.191 10 0 "[ . 1 . 2]"
1 10 TRP 2.066 0.735 16 2 "[ - . 1 .+ 2]"
1 11 ALA 1.794 0.234 3 0 "[ . 1 . 2]"
1 12 ILE 3.668 0.234 3 0 "[ . 1 . 2]"
1 13 GLY 3.956 0.127 5 0 "[ . 1 . 2]"
1 14 THR 2.740 0.118 5 0 "[ . 1 . 2]"
1 15 THR 1.639 0.118 5 0 "[ . 1 . 2]"
1 16 CYS 1.054 0.556 11 1 "[ . 1+ . 2]"
1 17 SER 1.043 0.556 11 1 "[ . 1+ . 2]"
1 18 ASP 0.210 0.098 19 0 "[ . 1 . 2]"
1 19 ASP 0.036 0.021 17 0 "[ . 1 . 2]"
1 20 CYS 6.218 0.218 13 0 "[ . 1 . 2]"
1 21 ASP 1.615 0.169 11 0 "[ . 1 . 2]"
1 22 CYS 5.393 0.569 16 3 "[ . 1 .+- *2]"
1 24 PRO 0.272 0.094 17 0 "[ . 1 . 2]"
1 25 GLU 1.911 0.249 16 0 "[ . 1 . 2]"
1 26 HIS 0.170 0.049 16 0 "[ . 1 . 2]"
1 27 HIS 0.141 0.049 16 0 "[ . 1 . 2]"
1 28 CYS 0.052 0.022 13 0 "[ . 1 . 2]"
1 29 HIS 9.194 0.708 5 9 "[* + - ** * * **]"
1 30 CYS 2.471 0.279 8 0 "[ . 1 . 2]"
1 31 PRO 1.175 0.358 18 0 "[ . 1 . 2]"
1 32 ALA 1.431 0.358 18 0 "[ . 1 . 2]"
1 33 GLY 3.055 0.434 9 0 "[ . 1 . 2]"
1 34 LYS 2.730 0.314 20 0 "[ . 1 . 2]"
1 35 TRP 4.624 0.352 20 0 "[ . 1 . 2]"
1 36 LEU 0.183 0.078 5 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 6.011 0.369 7 0 "[ . 1 . 2]"
1 39 LEU 4.649 0.481 20 0 "[ . 1 . 2]"
1 40 PHE 6.046 0.454 14 0 "[ . 1 . 2]"
1 41 ARG 6.604 0.454 14 0 "[ . 1 . 2]"
1 42 CYS 0.203 0.046 18 0 "[ . 1 . 2]"
1 43 THR 9.456 0.708 5 9 "[* + - ** * * **]"
1 44 CYS 2.750 0.117 2 0 "[ . 1 . 2]"
1 45 GLN 5.291 0.254 13 0 "[ . 1 . 2]"
1 46 VAL 4.030 0.275 19 0 "[ . 1 . 2]"
1 47 THR 3.639 0.275 19 0 "[ . 1 . 2]"
1 48 GLU 0.144 0.105 17 0 "[ . 1 . 2]"
1 49 SER 0.144 0.105 17 0 "[ . 1 . 2]"
1 50 ASP 0.035 0.014 15 0 "[ . 1 . 2]"
1 51 LYS 1.895 0.145 17 0 "[ . 1 . 2]"
1 52 VAL 2.845 0.449 12 0 "[ . 1 . 2]"
1 53 ASN 20.062 1.253 12 19 [*********-*+**.*****]
1 54 LYS 4.092 0.565 20 1 "[ . 1 . +]"
1 55 CYS 5.711 0.302 9 0 "[ . 1 . 2]"
1 57 PRO 2.558 0.399 15 0 "[ . 1 . 2]"
1 58 ALA 2.815 0.399 15 0 "[ . 1 . 2]"
1 59 GLU 0.187 0.074 5 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 3 PRO HA 1 4 VAL H . . 2.790 2.352 2.281 2.418 . 0 0 "[ . 1 . 2]" 1
2 1 3 PRO HB2 1 4 VAL H . . 4.250 2.745 2.571 2.945 . 0 0 "[ . 1 . 2]" 1
3 1 3 PRO HB3 1 4 VAL H . . 5.140 3.524 3.433 3.634 . 0 0 "[ . 1 . 2]" 1
4 1 3 PRO QG 1 4 VAL H . . 4.390 4.252 4.138 4.376 . 0 0 "[ . 1 . 2]" 1
5 1 4 VAL H 1 4 VAL HB . . 3.860 3.240 2.590 3.856 . 0 0 "[ . 1 . 2]" 1
6 1 4 VAL H 1 4 VAL QG . . 3.540 2.277 1.876 2.926 . 0 0 "[ . 1 . 2]" 1
7 1 4 VAL HA 1 5 GLY H . . 2.730 2.251 2.145 2.493 . 0 0 "[ . 1 . 2]" 1
8 1 4 VAL QG 1 5 GLY H . . 3.670 2.686 2.003 3.482 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLY QA 1 6 ASN H . . 2.580 2.164 2.110 2.688 0.108 14 0 "[ . 1 . 2]" 1
10 1 5 GLY QA 1 7 ASN H . . 3.970 3.541 3.186 3.863 . 0 0 "[ . 1 . 2]" 1
11 1 6 ASN H 1 6 ASN HB2 . . 2.990 2.498 2.155 3.560 0.570 15 1 "[ . 1 + 2]" 1
12 1 6 ASN H 1 6 ASN HB3 . . 3.710 3.557 2.793 3.697 . 0 0 "[ . 1 . 2]" 1
13 1 6 ASN H 1 6 ASN HD21 . . 4.370 3.238 2.041 4.142 . 0 0 "[ . 1 . 2]" 1
14 1 6 ASN H 1 6 ASN HD22 . . 4.460 4.038 2.856 4.473 0.013 17 0 "[ . 1 . 2]" 1
15 1 6 ASN H 1 7 ASN H . . 3.010 2.538 2.159 3.041 0.031 14 0 "[ . 1 . 2]" 1
16 1 6 ASN H 1 58 ALA MB . . 3.920 3.708 1.907 3.940 0.020 15 0 "[ . 1 . 2]" 1
17 1 6 ASN HA 1 6 ASN HD21 . . 4.540 3.863 1.948 4.514 . 0 0 "[ . 1 . 2]" 1
18 1 6 ASN HA 1 6 ASN HD22 . . 5.500 4.374 3.332 4.935 . 0 0 "[ . 1 . 2]" 1
19 1 6 ASN HA 1 7 ASN H . . 3.720 3.495 2.866 3.570 . 0 0 "[ . 1 . 2]" 1
20 1 6 ASN HB2 1 6 ASN HD21 . . 3.040 2.459 2.114 3.551 0.511 9 2 "[ . +1 . - 2]" 1
21 1 6 ASN HB2 1 6 ASN HD22 . . 3.430 3.588 3.434 4.096 0.666 9 4 "[ . +1 - * *2]" 1
22 1 7 ASN H 1 7 ASN QB . . 2.440 2.379 2.106 2.571 0.131 14 0 "[ . 1 . 2]" 1
23 1 7 ASN H 1 7 ASN HD21 . . 4.360 4.300 3.428 4.528 0.168 14 0 "[ . 1 . 2]" 1
24 1 7 ASN H 1 7 ASN HD22 . . 4.740 4.534 4.409 4.763 0.023 17 0 "[ . 1 . 2]" 1
25 1 7 ASN HA 1 7 ASN HD21 . . 3.410 3.010 2.457 4.331 0.921 13 3 "[ . 1 + - * 2]" 1
26 1 7 ASN HA 1 7 ASN HD22 . . 4.020 3.860 3.530 4.447 0.427 13 0 "[ . 1 . 2]" 1
27 1 7 ASN HA 1 8 LYS H . . 2.550 2.147 2.138 2.211 . 0 0 "[ . 1 . 2]" 1
28 1 7 ASN QB 1 7 ASN HD21 . . 2.550 2.236 2.091 2.376 . 0 0 "[ . 1 . 2]" 1
29 1 7 ASN QB 1 7 ASN HD22 . . 3.040 3.290 3.213 3.347 0.307 7 0 "[ . 1 . 2]" 1
30 1 7 ASN QB 1 8 LYS H . . 3.590 3.333 2.904 3.541 . 0 0 "[ . 1 . 2]" 1
31 1 7 ASN QB 1 9 CYS H . . 3.280 2.954 2.573 3.294 0.014 16 0 "[ . 1 . 2]" 1
32 1 7 ASN HD21 1 53 ASN QD . . 3.130 2.559 2.107 3.105 . 0 0 "[ . 1 . 2]" 1
33 1 7 ASN HD21 1 55 CYS HB2 . . 3.550 3.543 3.400 3.711 0.161 6 0 "[ . 1 . 2]" 1
34 1 7 ASN HD21 1 55 CYS HB3 . . 3.690 3.487 2.827 3.634 . 0 0 "[ . 1 . 2]" 1
35 1 7 ASN HD22 1 24 PRO HA . . 3.720 3.081 2.201 3.726 0.006 18 0 "[ . 1 . 2]" 1
36 1 7 ASN HD22 1 53 ASN QD . . 3.000 2.490 1.849 2.851 . 0 0 "[ . 1 . 2]" 1
37 1 7 ASN HD22 1 55 CYS HB2 . . 2.970 2.239 1.957 2.944 . 0 0 "[ . 1 . 2]" 1
38 1 7 ASN HD22 1 55 CYS HB3 . . 3.090 2.124 1.937 2.593 . 0 0 "[ . 1 . 2]" 1
39 1 8 LYS H 1 8 LYS HB2 . . 3.140 2.441 2.235 2.710 . 0 0 "[ . 1 . 2]" 1
40 1 8 LYS H 1 8 LYS HB3 . . 3.860 3.579 3.525 3.632 . 0 0 "[ . 1 . 2]" 1
41 1 8 LYS H 1 8 LYS HG2 . . 2.860 2.781 1.960 3.533 0.673 19 2 "[ . - 1 . +2]" 1
42 1 8 LYS H 1 8 LYS HG3 . . 3.580 3.024 2.058 3.576 . 0 0 "[ . 1 . 2]" 1
43 1 8 LYS H 1 9 CYS H . . 3.080 2.531 2.330 2.736 . 0 0 "[ . 1 . 2]" 1
44 1 8 LYS H 1 21 ASP HA . . 3.700 3.414 2.590 3.730 0.030 19 0 "[ . 1 . 2]" 1
45 1 8 LYS HA 1 9 CYS H . . 3.770 3.478 3.429 3.540 . 0 0 "[ . 1 . 2]" 1
46 1 8 LYS HB2 1 9 CYS H . . 3.650 2.938 2.677 3.103 . 0 0 "[ . 1 . 2]" 1
47 1 8 LYS HB3 1 9 CYS H . . 4.330 3.834 3.427 4.118 . 0 0 "[ . 1 . 2]" 1
48 1 9 CYS H 1 9 CYS HA . . 2.740 2.275 2.273 2.280 . 0 0 "[ . 1 . 2]" 1
49 1 9 CYS H 1 9 CYS HB2 . . 3.520 3.151 2.954 3.599 0.079 19 0 "[ . 1 . 2]" 1
50 1 9 CYS H 1 9 CYS HB3 . . 3.840 3.873 3.665 4.031 0.191 10 0 "[ . 1 . 2]" 1
51 1 9 CYS H 1 10 TRP H . . 3.250 3.255 3.022 3.312 0.062 5 0 "[ . 1 . 2]" 1
52 1 9 CYS H 1 22 CYS HA . . 3.790 3.514 2.738 3.860 0.070 17 0 "[ . 1 . 2]" 1
53 1 9 CYS HA 1 10 TRP H . . 3.100 2.312 2.261 2.540 . 0 0 "[ . 1 . 2]" 1
54 1 10 TRP H 1 10 TRP HB2 . . 2.850 2.259 2.070 3.585 0.735 16 2 "[ - . 1 .+ 2]" 1
55 1 10 TRP H 1 10 TRP HB3 . . 3.630 3.189 2.850 3.381 . 0 0 "[ . 1 . 2]" 1
56 1 10 TRP H 1 22 CYS HA . . 3.210 2.124 1.928 3.286 0.076 16 0 "[ . 1 . 2]" 1
57 1 10 TRP HA 1 11 ALA H . . 2.890 2.630 2.325 2.726 . 0 0 "[ . 1 . 2]" 1
58 1 10 TRP HB2 1 11 ALA H . . 4.260 3.528 1.902 4.121 . 0 0 "[ . 1 . 2]" 1
59 1 10 TRP HB3 1 11 ALA H . . 3.500 2.429 2.149 3.398 . 0 0 "[ . 1 . 2]" 1
60 1 11 ALA H 1 11 ALA MB . . 2.810 2.224 2.166 2.263 . 0 0 "[ . 1 . 2]" 1
61 1 11 ALA HA 1 12 ILE H . . 2.590 2.151 2.141 2.157 . 0 0 "[ . 1 . 2]" 1
62 1 11 ALA MB 1 12 ILE H . . 3.030 3.120 3.059 3.264 0.234 3 0 "[ . 1 . 2]" 1
63 1 11 ALA MB 1 14 THR H . . 4.440 3.699 3.585 4.016 . 0 0 "[ . 1 . 2]" 1
64 1 12 ILE H 1 12 ILE HB . . 2.820 2.629 2.555 2.683 . 0 0 "[ . 1 . 2]" 1
65 1 12 ILE H 1 12 ILE MD . . 4.620 3.366 2.761 3.596 . 0 0 "[ . 1 . 2]" 1
66 1 12 ILE H 1 12 ILE MG . . 3.840 3.762 3.759 3.765 . 0 0 "[ . 1 . 2]" 1
67 1 12 ILE HA 1 13 GLY H . . 2.400 2.145 2.143 2.149 . 0 0 "[ . 1 . 2]" 1
68 1 12 ILE HA 1 14 THR H . . 3.780 3.532 3.460 3.625 . 0 0 "[ . 1 . 2]" 1
69 1 12 ILE HB 1 13 GLY H . . 4.150 4.224 4.187 4.273 0.123 3 0 "[ . 1 . 2]" 1
70 1 12 ILE MD 1 46 VAL H . . 3.940 3.952 3.848 3.986 0.046 16 0 "[ . 1 . 2]" 1
71 1 12 ILE MG 1 13 GLY H . . 2.970 2.686 2.486 2.865 . 0 0 "[ . 1 . 2]" 1
72 1 12 ILE MG 1 45 GLN QE . . 3.840 2.341 1.884 3.154 . 0 0 "[ . 1 . 2]" 1
73 1 12 ILE MG 1 46 VAL H . . 4.140 3.448 2.958 3.908 . 0 0 "[ . 1 . 2]" 1
74 1 13 GLY H 1 13 GLY HA3 . . 2.830 2.951 2.940 2.957 0.127 5 0 "[ . 1 . 2]" 1
75 1 13 GLY H 1 14 THR H . . 3.120 2.432 2.276 2.543 . 0 0 "[ . 1 . 2]" 1
76 1 13 GLY H 1 44 CYS H . . 3.920 2.840 2.544 3.090 . 0 0 "[ . 1 . 2]" 1
77 1 13 GLY H 1 44 CYS HB2 . . 3.500 3.122 2.599 3.525 0.025 5 0 "[ . 1 . 2]" 1
78 1 13 GLY H 1 45 GLN QE . . 4.150 3.048 2.530 3.596 . 0 0 "[ . 1 . 2]" 1
79 1 13 GLY HA2 1 14 THR H . . 4.010 3.421 3.373 3.465 . 0 0 "[ . 1 . 2]" 1
80 1 13 GLY HA2 1 45 GLN QE . . 4.730 1.991 1.877 2.408 . 0 0 "[ . 1 . 2]" 1
81 1 13 GLY HA3 1 14 THR H . . 3.960 3.092 3.016 3.164 . 0 0 "[ . 1 . 2]" 1
82 1 13 GLY HA3 1 45 GLN QE . . 3.670 3.067 2.826 3.378 . 0 0 "[ . 1 . 2]" 1
83 1 14 THR H 1 14 THR HA . . 3.030 2.907 2.818 2.929 . 0 0 "[ . 1 . 2]" 1
84 1 14 THR H 1 14 THR HB . . 3.330 3.142 2.997 3.429 0.099 16 0 "[ . 1 . 2]" 1
85 1 14 THR H 1 14 THR MG . . 3.780 3.599 3.063 3.744 . 0 0 "[ . 1 . 2]" 1
86 1 14 THR H 1 43 THR HA . . 4.650 4.485 4.223 4.736 0.086 3 0 "[ . 1 . 2]" 1
87 1 14 THR H 1 43 THR MG . . 4.840 4.533 4.306 4.862 0.022 3 0 "[ . 1 . 2]" 1
88 1 14 THR H 1 44 CYS H . . 3.830 3.241 3.009 3.443 . 0 0 "[ . 1 . 2]" 1
89 1 14 THR H 1 44 CYS HB2 . . 3.720 3.460 2.969 3.766 0.046 16 0 "[ . 1 . 2]" 1
90 1 14 THR HA 1 15 THR H . . 4.270 2.456 2.320 2.537 . 0 0 "[ . 1 . 2]" 1
91 1 14 THR HA 1 44 CYS H . . 4.270 4.315 4.264 4.381 0.111 17 0 "[ . 1 . 2]" 1
92 1 14 THR HB 1 15 THR H . . 2.710 2.770 2.746 2.828 0.118 5 0 "[ . 1 . 2]" 1
93 1 14 THR MG 1 15 THR H . . 2.790 2.265 1.984 2.860 0.070 16 0 "[ . 1 . 2]" 1
94 1 15 THR H 1 43 THR MG . . 4.460 4.290 3.203 4.520 0.060 5 0 "[ . 1 . 2]" 1
95 1 15 THR HA 1 44 CYS H . . 4.070 3.879 3.426 4.086 0.016 10 0 "[ . 1 . 2]" 1
96 1 15 THR HB 1 16 CYS H . . 4.320 3.392 2.858 4.133 . 0 0 "[ . 1 . 2]" 1
97 1 15 THR MG 1 16 CYS H . . 3.070 2.258 1.928 2.829 . 0 0 "[ . 1 . 2]" 1
98 1 15 THR MG 1 42 CYS H . . 3.950 2.512 1.894 3.550 . 0 0 "[ . 1 . 2]" 1
99 1 16 CYS H 1 16 CYS HB3 . . 3.970 3.054 2.615 3.655 . 0 0 "[ . 1 . 2]" 1
100 1 16 CYS H 1 42 CYS HB2 . . 4.140 3.773 3.288 4.165 0.025 10 0 "[ . 1 . 2]" 1
101 1 16 CYS HA 1 17 SER H . . 2.760 2.410 2.221 2.568 . 0 0 "[ . 1 . 2]" 1
102 1 16 CYS HA 1 18 ASP H . . 4.250 4.073 3.742 4.262 0.012 14 0 "[ . 1 . 2]" 1
103 1 16 CYS HB2 1 17 SER H . . 3.300 2.717 2.077 3.856 0.556 11 1 "[ . 1+ . 2]" 1
104 1 16 CYS HB2 1 18 ASP H . . 3.620 2.854 2.265 3.718 0.098 19 0 "[ . 1 . 2]" 1
105 1 16 CYS HB3 1 17 SER H . . 4.040 3.456 2.157 4.060 0.020 16 0 "[ . 1 . 2]" 1
106 1 17 SER H 1 17 SER QB . . 3.310 2.696 2.277 3.109 . 0 0 "[ . 1 . 2]" 1
107 1 17 SER H 1 18 ASP H . . 2.550 2.151 1.898 2.575 0.025 15 0 "[ . 1 . 2]" 1
108 1 17 SER H 1 21 ASP HB2 . . 4.030 2.838 2.433 4.154 0.124 5 0 "[ . 1 . 2]" 1
109 1 17 SER H 1 21 ASP HB3 . . 4.360 2.715 2.195 3.364 . 0 0 "[ . 1 . 2]" 1
110 1 17 SER QB 1 18 ASP H . . 3.830 3.705 3.465 3.814 . 0 0 "[ . 1 . 2]" 1
111 1 18 ASP H 1 18 ASP HB2 . . 3.910 3.365 2.956 3.772 . 0 0 "[ . 1 . 2]" 1
112 1 18 ASP HA 1 19 ASP H . . 2.830 2.781 2.698 2.851 0.021 17 0 "[ . 1 . 2]" 1
113 1 18 ASP HB2 1 19 ASP H . . 3.820 3.074 2.406 3.650 . 0 0 "[ . 1 . 2]" 1
114 1 18 ASP HB3 1 19 ASP H . . 2.800 2.132 1.964 2.437 . 0 0 "[ . 1 . 2]" 1
115 1 19 ASP H 1 19 ASP HB2 . . 3.390 3.156 2.974 3.377 . 0 0 "[ . 1 . 2]" 1
116 1 19 ASP H 1 20 CYS H . . 3.240 2.752 2.653 2.915 . 0 0 "[ . 1 . 2]" 1
117 1 19 ASP HA 1 20 CYS H . . 4.280 2.760 2.575 2.843 . 0 0 "[ . 1 . 2]" 1
118 1 20 CYS H 1 20 CYS HB2 . . 3.070 3.144 3.105 3.197 0.127 13 0 "[ . 1 . 2]" 1
119 1 20 CYS H 1 20 CYS HB3 . . 3.850 4.023 3.918 4.068 0.218 13 0 "[ . 1 . 2]" 1
120 1 20 CYS H 1 21 ASP H . . 3.160 2.632 2.557 2.784 . 0 0 "[ . 1 . 2]" 1
121 1 20 CYS HB2 1 21 ASP H . . 4.130 4.171 4.139 4.240 0.110 17 0 "[ . 1 . 2]" 1
122 1 20 CYS HB3 1 21 ASP H . . 4.120 4.092 3.768 4.289 0.169 11 0 "[ . 1 . 2]" 1
123 1 21 ASP H 1 21 ASP HB2 . . 3.060 2.423 2.085 2.774 . 0 0 "[ . 1 . 2]" 1
124 1 21 ASP H 1 21 ASP HB3 . . 3.930 2.981 2.314 3.549 . 0 0 "[ . 1 . 2]" 1
125 1 21 ASP H 1 22 CYS H . . 2.960 2.839 2.506 3.010 0.050 17 0 "[ . 1 . 2]" 1
126 1 21 ASP HA 1 22 CYS H . . 4.010 3.529 3.397 3.571 . 0 0 "[ . 1 . 2]" 1
127 1 21 ASP HB2 1 22 CYS H . . 3.960 3.336 2.657 3.900 . 0 0 "[ . 1 . 2]" 1
128 1 21 ASP HB3 1 22 CYS H . . 4.590 2.863 2.258 3.868 . 0 0 "[ . 1 . 2]" 1
129 1 22 CYS H 1 22 CYS HB2 . . 4.010 2.321 2.115 2.627 . 0 0 "[ . 1 . 2]" 1
130 1 22 CYS H 1 22 CYS HB3 . . 3.070 3.176 2.767 3.639 0.569 16 3 "[ . 1 .+- *2]" 1
131 1 22 CYS HB3 1 53 ASN QD . . 3.430 3.116 2.311 3.950 0.520 19 1 "[ . 1 . +2]" 1
132 1 24 PRO HA 1 25 GLU H . . 4.150 3.537 3.486 3.572 . 0 0 "[ . 1 . 2]" 1
133 1 24 PRO HA 1 26 HIS H . . 4.280 3.850 3.611 4.145 . 0 0 "[ . 1 . 2]" 1
134 1 24 PRO HA 1 53 ASN QD . . 3.670 2.754 2.203 3.403 . 0 0 "[ . 1 . 2]" 1
135 1 24 PRO HB2 1 25 GLU H . . 3.500 3.213 2.907 3.510 0.010 17 0 "[ . 1 . 2]" 1
136 1 24 PRO HB3 1 25 GLU H . . 4.150 4.072 3.895 4.244 0.094 17 0 "[ . 1 . 2]" 1
137 1 24 PRO HD2 1 25 GLU H . . 3.530 2.681 2.647 2.752 . 0 0 "[ . 1 . 2]" 1
138 1 24 PRO HD3 1 25 GLU H . . 5.040 3.850 3.837 3.873 . 0 0 "[ . 1 . 2]" 1
139 1 24 PRO HG2 1 25 GLU H . . 4.430 2.246 1.926 2.601 . 0 0 "[ . 1 . 2]" 1
140 1 24 PRO HG3 1 25 GLU H . . 4.090 3.789 3.549 4.054 . 0 0 "[ . 1 . 2]" 1
141 1 25 GLU H 1 25 GLU HB2 . . 3.380 2.601 2.086 3.629 0.249 16 0 "[ . 1 . 2]" 1
142 1 25 GLU H 1 25 GLU HB3 . . 3.440 3.275 2.721 3.476 0.036 10 0 "[ . 1 . 2]" 1
143 1 25 GLU H 1 25 GLU HG2 . . 3.860 3.235 1.939 3.866 0.006 10 0 "[ . 1 . 2]" 1
144 1 25 GLU H 1 25 GLU HG3 . . 3.730 3.389 1.942 3.845 0.115 3 0 "[ . 1 . 2]" 1
145 1 25 GLU H 1 26 HIS H . . 3.050 2.559 2.299 2.857 . 0 0 "[ . 1 . 2]" 1
146 1 25 GLU HA 1 26 HIS H . . 3.700 3.240 2.923 3.452 . 0 0 "[ . 1 . 2]" 1
147 1 25 GLU HB3 1 26 HIS H . . 4.920 4.049 3.470 4.633 . 0 0 "[ . 1 . 2]" 1
148 1 26 HIS H 1 26 HIS HA . . 3.120 2.941 2.922 2.948 . 0 0 "[ . 1 . 2]" 1
149 1 26 HIS H 1 26 HIS HB2 . . 3.000 2.607 2.436 2.763 . 0 0 "[ . 1 . 2]" 1
150 1 26 HIS H 1 26 HIS HB3 . . 3.800 3.737 3.637 3.818 0.018 4 0 "[ . 1 . 2]" 1
151 1 26 HIS HA 1 27 HIS H . . 2.970 2.578 2.422 2.721 . 0 0 "[ . 1 . 2]" 1
152 1 26 HIS HA 1 47 THR H . . 3.240 2.453 2.166 2.718 . 0 0 "[ . 1 . 2]" 1
153 1 26 HIS HB2 1 27 HIS H . . 3.360 3.282 2.901 3.409 0.049 16 0 "[ . 1 . 2]" 1
154 1 26 HIS HB3 1 27 HIS H . . 2.820 2.109 1.944 2.479 . 0 0 "[ . 1 . 2]" 1
155 1 26 HIS HB3 1 45 GLN H . . 3.920 3.378 3.013 3.924 0.004 10 0 "[ . 1 . 2]" 1
156 1 27 HIS HA 1 28 CYS H . . 3.610 2.574 2.331 2.662 . 0 0 "[ . 1 . 2]" 1
157 1 27 HIS QB 1 28 CYS H . . 2.960 2.470 2.183 2.709 . 0 0 "[ . 1 . 2]" 1
158 1 28 CYS H 1 28 CYS QB . . 3.040 2.405 2.095 2.616 . 0 0 "[ . 1 . 2]" 1
159 1 28 CYS HA 1 29 HIS H . . 2.420 2.182 2.140 2.235 . 0 0 "[ . 1 . 2]" 1
160 1 28 CYS HA 1 43 THR H . . 4.320 4.120 3.693 4.342 0.022 13 0 "[ . 1 . 2]" 1
161 1 28 CYS QB 1 29 HIS H . . 4.350 3.592 2.902 3.964 . 0 0 "[ . 1 . 2]" 1
162 1 29 HIS H 1 29 HIS HB2 . . 2.700 2.506 2.210 2.933 0.233 3 0 "[ . 1 . 2]" 1
163 1 29 HIS H 1 29 HIS HB3 . . 2.920 2.757 2.553 2.975 0.055 18 0 "[ . 1 . 2]" 1
164 1 29 HIS H 1 43 THR H . . 3.440 2.999 2.530 3.450 0.010 12 0 "[ . 1 . 2]" 1
165 1 29 HIS H 1 44 CYS HA . . 3.600 3.368 2.954 3.623 0.023 4 0 "[ . 1 . 2]" 1
166 1 29 HIS HB2 1 43 THR H . . 3.990 4.400 3.993 4.698 0.708 5 9 "[* + - ** * * **]" 1
167 1 29 HIS HB3 1 43 THR H . . 4.680 3.233 3.013 3.567 . 0 0 "[ . 1 . 2]" 1
168 1 30 CYS H 1 30 CYS HB2 . . 3.700 2.677 2.355 3.158 . 0 0 "[ . 1 . 2]" 1
169 1 30 CYS H 1 30 CYS HB3 . . 3.480 3.569 3.182 3.759 0.279 8 0 "[ . 1 . 2]" 1
170 1 30 CYS HA 1 43 THR H . . 4.270 3.996 3.660 4.261 . 0 0 "[ . 1 . 2]" 1
171 1 31 PRO HA 1 32 ALA H . . 2.720 2.637 2.574 2.912 0.192 19 0 "[ . 1 . 2]" 1
172 1 31 PRO QB 1 32 ALA H . . 3.900 2.292 1.997 3.996 0.096 18 0 "[ . 1 . 2]" 1
173 1 31 PRO QG 1 32 ALA H . . 3.840 3.837 3.706 4.198 0.358 18 0 "[ . 1 . 2]" 1
174 1 32 ALA H 1 32 ALA MB . . 2.750 2.478 2.075 2.761 0.011 19 0 "[ . 1 . 2]" 1
175 1 32 ALA HA 1 33 GLY H . . 2.650 2.391 2.164 2.725 0.075 14 0 "[ . 1 . 2]" 1
176 1 32 ALA MB 1 33 GLY H . . 3.020 2.552 1.949 3.050 0.030 5 0 "[ . 1 . 2]" 1
177 1 33 GLY H 1 33 GLY HA2 . . 3.140 2.832 2.333 2.955 . 0 0 "[ . 1 . 2]" 1
178 1 33 GLY H 1 33 GLY HA3 . . 2.520 2.572 2.298 2.954 0.434 9 0 "[ . 1 . 2]" 1
179 1 33 GLY HA2 1 34 LYS H . . 3.140 2.530 2.137 3.340 0.200 4 0 "[ . 1 . 2]" 1
180 1 33 GLY HA3 1 34 LYS H . . 3.240 2.913 2.144 3.363 0.123 7 0 "[ . 1 . 2]" 1
181 1 34 LYS H 1 34 LYS HB2 . . 3.580 2.601 2.062 3.587 0.007 5 0 "[ . 1 . 2]" 1
182 1 34 LYS H 1 34 LYS HB3 . . 3.330 3.070 2.379 3.583 0.253 12 0 "[ . 1 . 2]" 1
183 1 34 LYS H 1 34 LYS QG . . 3.820 3.015 2.121 3.863 0.043 4 0 "[ . 1 . 2]" 1
184 1 34 LYS HA 1 35 TRP H . . 2.770 2.607 2.155 3.084 0.314 20 0 "[ . 1 . 2]" 1
185 1 34 LYS HB3 1 35 TRP H . . 3.810 2.951 1.997 3.916 0.106 4 0 "[ . 1 . 2]" 1
186 1 35 TRP H 1 35 TRP HB2 . . 3.330 3.176 2.982 3.253 . 0 0 "[ . 1 . 2]" 1
187 1 35 TRP H 1 35 TRP HB3 . . 3.250 3.439 3.400 3.602 0.352 20 0 "[ . 1 . 2]" 1
188 1 36 LEU H 1 36 LEU QB . . 3.120 3.092 2.949 3.198 0.078 5 0 "[ . 1 . 2]" 1
189 1 36 LEU H 1 36 LEU QD . . 4.000 2.959 2.135 3.613 . 0 0 "[ . 1 . 2]" 1
190 1 37 PRO HA 1 38 GLY H . . 2.400 2.305 2.154 2.390 . 0 0 "[ . 1 . 2]" 1
191 1 38 GLY H 1 38 GLY HA2 . . 2.650 2.582 2.295 2.921 0.271 13 0 "[ . 1 . 2]" 1
192 1 38 GLY H 1 38 GLY HA3 . . 2.550 2.738 2.297 2.919 0.369 7 0 "[ . 1 . 2]" 1
193 1 38 GLY H 1 39 LEU H . . 2.960 2.622 1.897 3.023 0.063 18 0 "[ . 1 . 2]" 1
194 1 38 GLY HA2 1 39 LEU H . . 3.510 2.944 2.290 3.570 0.060 14 0 "[ . 1 . 2]" 1
195 1 38 GLY HA3 1 39 LEU H . . 3.790 3.352 2.596 3.569 . 0 0 "[ . 1 . 2]" 1
196 1 39 LEU H 1 39 LEU HB3 . . 3.120 3.085 2.443 3.601 0.481 20 0 "[ . 1 . 2]" 1
197 1 39 LEU H 1 39 LEU MD2 . . 4.450 3.593 2.403 4.449 . 0 0 "[ . 1 . 2]" 1
198 1 39 LEU HA 1 40 PHE H . . 3.520 2.830 2.140 3.553 0.033 12 0 "[ . 1 . 2]" 1
199 1 39 LEU HB2 1 40 PHE H . . 4.290 3.864 2.926 4.617 0.327 16 0 "[ . 1 . 2]" 1
200 1 40 PHE H 1 40 PHE HB2 . . 3.790 2.608 2.094 3.617 . 0 0 "[ . 1 . 2]" 1
201 1 40 PHE H 1 40 PHE HB3 . . 3.380 3.161 2.442 3.622 0.242 12 0 "[ . 1 . 2]" 1
202 1 40 PHE HA 1 41 ARG H . . 2.760 2.456 2.141 3.189 0.429 18 0 "[ . 1 . 2]" 1
203 1 40 PHE HB2 1 41 ARG H . . 3.700 3.564 2.570 4.154 0.454 14 0 "[ . 1 . 2]" 1
204 1 40 PHE HB3 1 41 ARG H . . 4.100 2.973 1.954 4.128 0.028 7 0 "[ . 1 . 2]" 1
205 1 41 ARG H 1 41 ARG HB2 . . 3.430 2.995 2.122 3.625 0.195 11 0 "[ . 1 . 2]" 1
206 1 41 ARG H 1 41 ARG HB3 . . 3.310 3.132 2.380 3.581 0.271 1 0 "[ . 1 . 2]" 1
207 1 41 ARG H 1 41 ARG QD . . 4.710 3.581 1.949 4.751 0.041 14 0 "[ . 1 . 2]" 1
208 1 41 ARG H 1 41 ARG HG2 . . 3.960 2.976 1.979 3.979 0.019 14 0 "[ . 1 . 2]" 1
209 1 41 ARG H 1 41 ARG HG3 . . 3.790 3.343 2.237 3.858 0.068 10 0 "[ . 1 . 2]" 1
210 1 41 ARG HA 1 42 CYS H . . 2.690 2.504 2.232 2.720 0.030 10 0 "[ . 1 . 2]" 1
211 1 41 ARG HB2 1 42 CYS H . . 3.870 2.923 1.950 3.899 0.029 14 0 "[ . 1 . 2]" 1
212 1 41 ARG HB3 1 42 CYS H . . 3.880 3.016 2.129 3.926 0.046 18 0 "[ . 1 . 2]" 1
213 1 41 ARG HG2 1 42 CYS H . . 4.600 3.870 3.141 4.594 . 0 0 "[ . 1 . 2]" 1
214 1 41 ARG HG3 1 42 CYS H . . 4.700 4.197 2.485 4.648 . 0 0 "[ . 1 . 2]" 1
215 1 42 CYS H 1 42 CYS HB2 . . 3.330 2.617 2.162 2.923 . 0 0 "[ . 1 . 2]" 1
216 1 42 CYS H 1 42 CYS HB3 . . 4.040 3.660 3.094 3.902 . 0 0 "[ . 1 . 2]" 1
217 1 42 CYS HA 1 43 THR H . . 2.650 2.424 2.219 2.581 . 0 0 "[ . 1 . 2]" 1
218 1 42 CYS HB2 1 43 THR H . . 4.260 3.507 3.062 4.286 0.026 7 0 "[ . 1 . 2]" 1
219 1 42 CYS HB3 1 43 THR H . . 3.460 2.506 2.142 3.192 . 0 0 "[ . 1 . 2]" 1
220 1 43 THR H 1 43 THR HB . . 4.270 3.855 3.775 3.913 . 0 0 "[ . 1 . 2]" 1
221 1 43 THR H 1 43 THR MG . . 3.510 3.145 3.014 3.296 . 0 0 "[ . 1 . 2]" 1
222 1 43 THR HA 1 44 CYS H . . 2.580 2.231 2.223 2.259 . 0 0 "[ . 1 . 2]" 1
223 1 43 THR HB 1 44 CYS H . . 2.850 2.870 2.772 2.903 0.053 10 0 "[ . 1 . 2]" 1
224 1 43 THR HB 1 45 GLN QE . . 3.740 2.609 1.909 2.824 . 0 0 "[ . 1 . 2]" 1
225 1 43 THR MG 1 44 CYS H . . 3.720 3.728 3.634 3.764 0.044 3 0 "[ . 1 . 2]" 1
226 1 43 THR MG 1 45 GLN QE . . 4.110 3.702 2.828 3.939 . 0 0 "[ . 1 . 2]" 1
227 1 44 CYS H 1 44 CYS HB2 . . 2.970 2.192 2.114 2.328 . 0 0 "[ . 1 . 2]" 1
228 1 44 CYS HA 1 45 GLN H . . 2.620 2.146 2.139 2.167 . 0 0 "[ . 1 . 2]" 1
229 1 44 CYS HB2 1 45 GLN H . . 4.470 4.484 4.358 4.572 0.102 10 0 "[ . 1 . 2]" 1
230 1 44 CYS HB3 1 45 GLN H . . 3.840 3.723 3.547 3.957 0.117 2 0 "[ . 1 . 2]" 1
231 1 45 GLN H 1 45 GLN QB . . 3.280 2.645 2.329 2.709 . 0 0 "[ . 1 . 2]" 1
232 1 45 GLN H 1 45 GLN QE . . 5.500 4.775 4.304 4.902 . 0 0 "[ . 1 . 2]" 1
233 1 45 GLN H 1 45 GLN QG . . 3.710 3.405 3.014 3.900 0.190 5 0 "[ . 1 . 2]" 1
234 1 45 GLN HA 1 45 GLN QE . . 4.040 3.499 2.556 3.931 . 0 0 "[ . 1 . 2]" 1
235 1 45 GLN HA 1 46 VAL H . . 3.750 2.356 2.261 2.502 . 0 0 "[ . 1 . 2]" 1
236 1 45 GLN QB 1 45 GLN QE . . 3.490 3.672 3.400 3.744 0.254 13 0 "[ . 1 . 2]" 1
237 1 45 GLN QB 1 46 VAL H . . 3.140 2.534 2.187 2.754 . 0 0 "[ . 1 . 2]" 1
238 1 45 GLN QE 1 45 GLN QG . . 3.050 2.119 2.070 2.154 . 0 0 "[ . 1 . 2]" 1
239 1 45 GLN QG 1 46 VAL H . . 4.580 4.072 3.281 4.408 . 0 0 "[ . 1 . 2]" 1
240 1 46 VAL H 1 46 VAL HB . . 3.120 2.700 2.612 2.835 . 0 0 "[ . 1 . 2]" 1
241 1 46 VAL H 1 46 VAL QG . . 3.500 2.060 1.896 2.190 . 0 0 "[ . 1 . 2]" 1
242 1 46 VAL HA 1 47 THR H . . 2.400 2.277 2.252 2.311 . 0 0 "[ . 1 . 2]" 1
243 1 46 VAL HB 1 47 THR H . . 3.600 3.782 3.606 3.875 0.275 19 0 "[ . 1 . 2]" 1
244 1 46 VAL QG 1 47 THR H . . 3.600 2.051 1.934 2.109 . 0 0 "[ . 1 . 2]" 1
245 1 48 GLU QB 1 49 SER H . . 3.250 2.885 2.238 3.355 0.105 17 0 "[ . 1 . 2]" 1
246 1 48 GLU QG 1 49 SER H . . 3.880 3.409 1.940 3.882 0.002 19 0 "[ . 1 . 2]" 1
247 1 49 SER H 1 49 SER HA . . 2.990 2.808 2.739 2.881 . 0 0 "[ . 1 . 2]" 1
248 1 49 SER H 1 49 SER QB . . 3.040 2.347 2.050 2.915 . 0 0 "[ . 1 . 2]" 1
249 1 49 SER HA 1 50 ASP H . . 3.270 2.614 2.277 2.732 . 0 0 "[ . 1 . 2]" 1
250 1 49 SER QB 1 50 ASP H . . 3.310 2.398 1.952 2.825 . 0 0 "[ . 1 . 2]" 1
251 1 50 ASP H 1 50 ASP HB2 . . 3.870 2.654 2.089 3.685 . 0 0 "[ . 1 . 2]" 1
252 1 50 ASP H 1 50 ASP HB3 . . 3.760 3.357 2.788 3.692 . 0 0 "[ . 1 . 2]" 1
253 1 50 ASP H 1 51 LYS H . . 3.170 2.774 2.175 3.184 0.014 15 0 "[ . 1 . 2]" 1
254 1 50 ASP HA 1 51 LYS H . . 3.750 3.043 2.695 3.539 . 0 0 "[ . 1 . 2]" 1
255 1 50 ASP HB2 1 51 LYS H . . 4.950 3.981 2.565 4.484 . 0 0 "[ . 1 . 2]" 1
256 1 50 ASP HB3 1 51 LYS H . . 5.030 4.202 3.393 4.647 . 0 0 "[ . 1 . 2]" 1
257 1 51 LYS H 1 51 LYS QB . . 3.310 2.562 2.194 3.147 . 0 0 "[ . 1 . 2]" 1
258 1 51 LYS H 1 51 LYS QG . . 4.200 3.042 2.162 3.933 . 0 0 "[ . 1 . 2]" 1
259 1 51 LYS H 1 52 VAL H . . 4.220 3.591 2.171 4.243 0.023 1 0 "[ . 1 . 2]" 1
260 1 51 LYS HA 1 52 VAL H . . 2.920 2.467 2.154 3.024 0.104 19 0 "[ . 1 . 2]" 1
261 1 51 LYS QB 1 52 VAL H . . 3.560 3.553 3.077 3.705 0.145 17 0 "[ . 1 . 2]" 1
262 1 52 VAL H 1 52 VAL HB . . 3.770 3.616 2.440 3.823 0.053 9 0 "[ . 1 . 2]" 1
263 1 52 VAL H 1 52 VAL MG1 . . 3.910 2.844 2.271 3.910 . 0 0 "[ . 1 . 2]" 1
264 1 52 VAL H 1 52 VAL MG2 . . 3.310 2.216 1.925 3.759 0.449 12 0 "[ . 1 . 2]" 1
265 1 52 VAL HA 1 53 ASN H . . 2.830 2.566 2.247 2.749 . 0 0 "[ . 1 . 2]" 1
266 1 52 VAL HB 1 53 ASN H . . 3.450 2.229 1.902 3.762 0.312 12 0 "[ . 1 . 2]" 1
267 1 52 VAL MG1 1 53 ASN H . . 4.290 3.391 1.917 3.746 . 0 0 "[ . 1 . 2]" 1
268 1 52 VAL MG2 1 53 ASN H . . 4.340 3.083 1.864 3.971 . 0 0 "[ . 1 . 2]" 1
269 1 53 ASN H 1 53 ASN HB2 . . 3.170 2.666 2.122 3.563 0.393 18 0 "[ . 1 . 2]" 1
270 1 53 ASN H 1 53 ASN HB3 . . 3.250 2.934 2.695 3.649 0.399 12 0 "[ . 1 . 2]" 1
271 1 53 ASN H 1 53 ASN QD . . 3.800 4.132 3.060 5.053 1.253 12 14 "[*-****** 1*+**.** 2]" 1
272 1 53 ASN HA 1 53 ASN QD . . 3.700 3.969 3.595 4.301 0.601 18 5 "[ . *- . +**]" 1
273 1 53 ASN HA 1 54 LYS H . . 2.400 2.245 2.138 2.531 0.131 15 0 "[ . 1 . 2]" 1
274 1 53 ASN HB2 1 53 ASN QD . . 2.590 2.452 2.108 2.922 0.332 15 0 "[ . 1 . 2]" 1
275 1 53 ASN HB3 1 53 ASN QD . . 3.250 2.566 2.149 3.009 . 0 0 "[ . 1 . 2]" 1
276 1 54 LYS H 1 54 LYS QB . . 2.920 2.641 2.335 2.883 . 0 0 "[ . 1 . 2]" 1
277 1 54 LYS H 1 54 LYS QE . . 3.330 2.204 1.890 3.058 . 0 0 "[ . 1 . 2]" 1
278 1 54 LYS H 1 54 LYS HG2 . . 3.310 3.199 2.063 3.875 0.565 20 1 "[ . 1 . +]" 1
279 1 54 LYS H 1 54 LYS HG3 . . 3.510 2.455 1.857 3.638 0.128 17 0 "[ . 1 . 2]" 1
280 1 54 LYS H 1 55 CYS H . . 3.160 2.611 2.175 2.782 . 0 0 "[ . 1 . 2]" 1
281 1 54 LYS HA 1 55 CYS H . . 3.510 3.400 3.161 3.512 0.002 12 0 "[ . 1 . 2]" 1
282 1 54 LYS QB 1 55 CYS H . . 4.370 3.245 2.689 3.929 . 0 0 "[ . 1 . 2]" 1
283 1 54 LYS QE 1 55 CYS H . . 3.620 3.348 2.681 3.636 0.016 20 0 "[ . 1 . 2]" 1
284 1 55 CYS H 1 55 CYS HB2 . . 3.190 2.097 2.075 2.242 . 0 0 "[ . 1 . 2]" 1
285 1 55 CYS H 1 55 CYS HB3 . . 3.080 3.330 3.202 3.382 0.302 9 0 "[ . 1 . 2]" 1
286 1 57 PRO HA 1 58 ALA H . . 2.930 2.636 2.516 2.857 . 0 0 "[ . 1 . 2]" 1
287 1 57 PRO QB 1 58 ALA H . . 4.470 2.812 2.060 4.004 . 0 0 "[ . 1 . 2]" 1
288 1 57 PRO QG 1 58 ALA H . . 3.960 4.024 3.764 4.359 0.399 15 0 "[ . 1 . 2]" 1
289 1 58 ALA H 1 58 ALA MB . . 3.350 2.679 2.213 2.930 . 0 0 "[ . 1 . 2]" 1
290 1 58 ALA H 1 59 GLU H . . 4.780 3.537 1.890 4.631 . 0 0 "[ . 1 . 2]" 1
291 1 58 ALA HA 1 59 GLU H . . 3.480 2.565 2.142 3.554 0.074 5 0 "[ . 1 . 2]" 1
292 1 58 ALA MB 1 59 GLU H . . 4.510 3.184 2.004 3.720 . 0 0 "[ . 1 . 2]" 1
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