NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
647775 |
6pmg   |
30623 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6pmg
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 296
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 83.782
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0698
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 TYR 0.059 0.059 14 0 "[ . 1 . 2]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 THR 0.377 0.133 5 0 "[ . 1 . 2]"
1 7 LYS 0.084 0.084 2 0 "[ . 1 . 2]"
1 8 LEU 1.488 0.153 10 0 "[ . 1 . 2]"
1 9 CYS 0.881 0.153 10 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 1.362 0.159 6 0 "[ . 1 . 2]"
1 12 PHE 0.100 0.064 14 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 THR 0.207 0.085 20 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PHE 0.207 0.085 20 0 "[ . 1 . 2]"
1 20 CYS 1.983 0.159 6 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 TYR 0.075 0.039 5 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.075 0.039 5 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.294 0.133 5 0 "[ . 1 . 2]"
1 30 HIS 0.521 0.119 18 0 "[ . 1 . 2]"
1 31 PRO 0.608 0.132 4 0 "[ . 1 . 2]"
1 32 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 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 3 LYS H 1 3 LYS QB 3.540 . 4.070 2.666 2.253 3.418 . 0 0 "[ . 1 . 2]" 1
2 1 3 LYS H 1 3 LYS HG2 5.350 . 6.150 4.109 3.039 5.212 . 0 0 "[ . 1 . 2]" 1
3 1 3 LYS H 1 3 LYS QG 4.670 . 5.370 3.292 2.332 4.370 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS H 1 3 LYS HG3 5.350 . 6.150 3.592 2.350 4.694 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS H 1 4 TYR H 3.770 . 4.340 2.987 1.881 4.283 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS HA 1 3 LYS QG 3.620 . 4.160 2.701 2.410 3.553 . 0 0 "[ . 1 . 2]" 1
7 1 3 LYS HA 1 4 TYR H 3.310 . 3.810 2.722 2.152 3.299 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS HB2 1 4 TYR H 5.230 . 6.010 4.350 3.922 4.608 . 0 0 "[ . 1 . 2]" 1
9 1 3 LYS HB3 1 4 TYR H 5.230 . 6.010 4.327 3.102 4.640 . 0 0 "[ . 1 . 2]" 1
10 1 3 LYS QG 1 4 TYR H 4.570 . 5.260 4.440 3.699 4.936 . 0 0 "[ . 1 . 2]" 1
11 1 4 TYR H 1 4 TYR HB2 3.760 . 4.320 2.968 2.418 3.926 . 0 0 "[ . 1 . 2]" 1
12 1 4 TYR H 1 4 TYR QB 3.150 . 3.620 2.587 2.172 3.299 . 0 0 "[ . 1 . 2]" 1
13 1 4 TYR H 1 4 TYR HB3 3.760 . 4.320 3.289 2.289 3.837 . 0 0 "[ . 1 . 2]" 1
14 1 4 TYR H 1 4 TYR QD 4.590 . 5.280 2.982 1.741 4.604 0.059 14 0 "[ . 1 . 2]" 1
15 1 4 TYR H 1 5 LYS H 2.810 . 3.230 2.604 1.910 3.104 . 0 0 "[ . 1 . 2]" 1
16 1 4 TYR HA 1 4 TYR QD 3.740 . 4.300 3.004 2.067 3.803 . 0 0 "[ . 1 . 2]" 1
17 1 5 LYS H 1 6 THR H 4.000 . 4.600 3.203 2.132 4.142 . 0 0 "[ . 1 . 2]" 1
18 1 5 LYS HA 1 5 LYS HD2 5.500 . 6.330 4.294 2.064 5.637 . 0 0 "[ . 1 . 2]" 1
19 1 5 LYS HA 1 5 LYS QD 4.780 . 5.500 3.709 2.028 4.573 . 0 0 "[ . 1 . 2]" 1
20 1 5 LYS HA 1 5 LYS HD3 5.500 . 6.330 4.256 2.269 5.616 . 0 0 "[ . 1 . 2]" 1
21 1 5 LYS HA 1 6 THR H 3.450 . 3.970 2.883 2.132 3.627 . 0 0 "[ . 1 . 2]" 1
22 1 5 LYS QB 1 6 THR H 4.260 . 4.900 3.457 2.250 4.067 . 0 0 "[ . 1 . 2]" 1
23 1 5 LYS HB2 1 6 THR H 4.880 . 5.610 4.085 2.690 4.645 . 0 0 "[ . 1 . 2]" 1
24 1 5 LYS HB3 1 6 THR H 4.880 . 5.610 3.899 2.269 4.651 . 0 0 "[ . 1 . 2]" 1
25 1 6 THR H 1 6 THR MG 4.350 . 5.000 2.983 1.950 3.983 . 0 0 "[ . 1 . 2]" 1
26 1 6 THR H 1 7 LYS H 4.120 . 4.740 3.175 1.716 4.514 0.084 2 0 "[ . 1 . 2]" 1
27 1 6 THR H 1 29 VAL MG1 5.500 . 6.330 4.239 1.914 6.173 . 0 0 "[ . 1 . 2]" 1
28 1 6 THR H 1 29 VAL MG2 5.500 . 6.330 4.292 2.217 6.374 0.044 20 0 "[ . 1 . 2]" 1
29 1 6 THR HA 1 6 THR MG 3.290 . 3.780 2.554 2.303 3.285 . 0 0 "[ . 1 . 2]" 1
30 1 6 THR HA 1 7 LYS H 3.500 . 4.030 2.775 2.163 3.577 . 0 0 "[ . 1 . 2]" 1
31 1 6 THR HA 1 29 VAL QG 4.300 . 4.950 3.011 1.847 4.817 . 0 0 "[ . 1 . 2]" 1
32 1 6 THR HB 1 7 LYS H 4.640 . 5.340 4.063 2.057 4.521 . 0 0 "[ . 1 . 2]" 1
33 1 6 THR MG 1 7 LYS H 4.360 . 5.010 3.753 2.054 4.464 . 0 0 "[ . 1 . 2]" 1
34 1 6 THR MG 1 29 VAL QG 4.060 . 4.670 3.190 1.970 4.803 0.133 5 0 "[ . 1 . 2]" 1
35 1 7 LYS H 1 7 LYS QB 3.340 . 3.840 2.602 2.317 3.424 . 0 0 "[ . 1 . 2]" 1
36 1 7 LYS H 1 7 LYS QG 3.940 . 4.530 2.977 2.219 4.261 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS H 1 8 LEU H 3.850 . 4.430 3.946 3.071 4.284 . 0 0 "[ . 1 . 2]" 1
38 1 7 LYS H 1 8 LEU HA 5.220 . 6.000 4.814 4.227 5.440 . 0 0 "[ . 1 . 2]" 1
39 1 7 LYS H 1 29 VAL H 4.510 . 5.190 3.369 2.205 4.967 . 0 0 "[ . 1 . 2]" 1
40 1 7 LYS H 1 29 VAL MG1 4.840 . 5.570 3.364 1.832 4.950 . 0 0 "[ . 1 . 2]" 1
41 1 7 LYS H 1 29 VAL QG 4.080 . 4.690 2.560 1.831 3.484 . 0 0 "[ . 1 . 2]" 1
42 1 7 LYS H 1 29 VAL MG2 4.840 . 5.570 3.520 2.122 5.100 . 0 0 "[ . 1 . 2]" 1
43 1 7 LYS HA 1 7 LYS HD2 5.500 . 6.330 4.221 2.189 5.637 . 0 0 "[ . 1 . 2]" 1
44 1 7 LYS HA 1 7 LYS QD 4.770 . 5.490 3.703 2.103 4.616 . 0 0 "[ . 1 . 2]" 1
45 1 7 LYS HA 1 7 LYS HD3 5.500 . 6.330 4.274 2.142 4.965 . 0 0 "[ . 1 . 2]" 1
46 1 7 LYS HA 1 8 LEU H 3.050 . 3.510 2.257 2.117 2.562 . 0 0 "[ . 1 . 2]" 1
47 1 7 LYS QB 1 8 LEU H 3.730 . 4.290 3.707 2.731 4.032 . 0 0 "[ . 1 . 2]" 1
48 1 8 LEU H 1 8 LEU HB3 3.150 . 3.620 2.520 2.346 2.698 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU H 1 8 LEU QD 3.980 . 4.580 3.511 1.806 3.870 . 0 0 "[ . 1 . 2]" 1
50 1 8 LEU H 1 9 CYS H 4.800 . 5.520 4.538 4.389 4.662 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU HA 1 8 LEU MD1 4.200 . 4.830 3.195 2.162 4.192 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU HA 1 8 LEU QD 3.400 . 3.910 2.794 2.153 3.447 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU HA 1 8 LEU MD2 4.200 . 4.830 3.617 3.218 4.002 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU HA 1 8 LEU HG 3.410 . 3.920 3.041 2.495 3.823 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU HA 1 9 CYS H 3.250 . 3.740 2.174 2.106 2.338 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU HA 1 29 VAL H 4.680 . 5.380 4.490 3.655 5.317 . 0 0 "[ . 1 . 2]" 1
57 1 8 LEU HA 1 29 VAL QG 4.610 . 5.300 3.819 2.649 5.182 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU HA 1 31 PRO HB3 4.930 . 5.670 4.978 4.352 5.705 0.035 2 0 "[ . 1 . 2]" 1
59 1 8 LEU HB2 1 9 CYS H 4.350 . 5.000 4.064 2.703 4.463 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU HB2 1 31 PRO HB3 4.030 . 4.630 4.408 2.954 4.762 0.132 4 0 "[ . 1 . 2]" 1
61 1 8 LEU HB3 1 9 CYS H 4.400 . 5.060 4.218 4.003 4.384 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU QD 1 9 CYS H 3.540 . 4.070 2.813 1.952 4.158 0.088 15 0 "[ . 1 . 2]" 1
63 1 8 LEU QD 1 13 ALA H 4.810 . 5.530 3.643 2.989 5.170 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU QD 1 13 ALA HA 4.130 . 4.750 2.947 2.335 4.183 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU QD 1 13 ALA MB 4.260 . 4.900 2.636 1.932 3.494 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU QD 1 31 PRO QD 4.120 . 4.740 2.615 1.837 4.245 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU MD1 1 9 CYS H 4.520 . 5.200 3.657 1.954 4.884 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU MD2 1 9 CYS H 4.520 . 5.200 3.884 2.792 4.731 . 0 0 "[ . 1 . 2]" 1
69 1 8 LEU HG 1 9 CYS H 3.760 . 4.320 3.366 2.865 4.115 . 0 0 "[ . 1 . 2]" 1
70 1 8 LEU HG 1 9 CYS HA 4.810 . 5.530 4.985 4.322 5.683 0.153 10 0 "[ . 1 . 2]" 1
71 1 9 CYS H 1 9 CYS HB2 3.620 . 4.160 2.515 2.368 2.655 . 0 0 "[ . 1 . 2]" 1
72 1 9 CYS H 1 9 CYS QB 3.130 . 3.600 2.468 2.337 2.588 . 0 0 "[ . 1 . 2]" 1
73 1 9 CYS H 1 9 CYS HB3 3.620 . 4.160 3.594 3.550 3.623 . 0 0 "[ . 1 . 2]" 1
74 1 9 CYS H 1 10 LYS H 4.680 . 5.380 4.522 4.427 4.636 . 0 0 "[ . 1 . 2]" 1
75 1 9 CYS H 1 12 PHE H 4.720 . 5.430 4.488 4.143 4.784 . 0 0 "[ . 1 . 2]" 1
76 1 9 CYS H 1 30 HIS HA 4.790 . 5.510 3.288 2.771 3.760 . 0 0 "[ . 1 . 2]" 1
77 1 9 CYS H 1 30 HIS HD2 4.610 . 5.300 3.763 3.383 4.074 . 0 0 "[ . 1 . 2]" 1
78 1 9 CYS HA 1 10 LYS H 3.170 . 3.650 2.162 2.089 2.236 . 0 0 "[ . 1 . 2]" 1
79 1 9 CYS HA 1 10 LYS HB3 5.230 . 6.010 4.665 4.548 4.778 . 0 0 "[ . 1 . 2]" 1
80 1 9 CYS HA 1 11 ASN H 4.560 . 5.240 3.590 3.411 3.794 . 0 0 "[ . 1 . 2]" 1
81 1 9 CYS HA 1 28 PHE HB2 4.410 . 5.070 3.326 2.552 3.925 . 0 0 "[ . 1 . 2]" 1
82 1 9 CYS HA 1 28 PHE QB 3.740 . 4.300 2.673 2.123 3.108 . 0 0 "[ . 1 . 2]" 1
83 1 9 CYS HA 1 28 PHE HB3 4.410 . 5.070 2.839 2.271 3.322 . 0 0 "[ . 1 . 2]" 1
84 1 9 CYS QB 1 10 LYS H 3.810 . 4.380 3.244 2.910 3.430 . 0 0 "[ . 1 . 2]" 1
85 1 9 CYS QB 1 12 PHE H 3.930 . 4.520 2.292 1.978 2.566 . 0 0 "[ . 1 . 2]" 1
86 1 9 CYS HB2 1 10 LYS H 4.660 . 5.360 4.240 4.019 4.374 . 0 0 "[ . 1 . 2]" 1
87 1 9 CYS HB2 1 11 ASN H 4.900 . 5.640 3.704 3.185 4.042 . 0 0 "[ . 1 . 2]" 1
88 1 9 CYS HB2 1 12 PHE H 4.660 . 5.360 2.479 2.011 2.887 . 0 0 "[ . 1 . 2]" 1
89 1 9 CYS HB2 1 12 PHE QD 4.210 . 4.840 2.511 2.071 3.041 . 0 0 "[ . 1 . 2]" 1
90 1 9 CYS HB2 1 30 HIS HD2 3.840 . 4.420 2.871 2.270 3.446 . 0 0 "[ . 1 . 2]" 1
91 1 9 CYS HB3 1 10 LYS H 4.660 . 5.360 3.368 2.987 3.585 . 0 0 "[ . 1 . 2]" 1
92 1 9 CYS HB3 1 11 ASN H 4.900 . 5.640 2.600 2.368 2.839 . 0 0 "[ . 1 . 2]" 1
93 1 9 CYS HB3 1 12 PHE H 4.660 . 5.360 2.773 2.454 3.032 . 0 0 "[ . 1 . 2]" 1
94 1 9 CYS HB3 1 12 PHE QD 4.210 . 4.840 2.877 2.557 3.243 . 0 0 "[ . 1 . 2]" 1
95 1 9 CYS HB3 1 30 HIS HD2 3.840 . 4.420 3.702 3.185 4.198 . 0 0 "[ . 1 . 2]" 1
96 1 10 LYS H 1 10 LYS HB3 3.350 . 3.850 2.587 2.527 2.658 . 0 0 "[ . 1 . 2]" 1
97 1 10 LYS H 1 10 LYS HG2 4.230 . 4.860 2.125 1.954 2.256 . 0 0 "[ . 1 . 2]" 1
98 1 10 LYS H 1 10 LYS QG 3.610 . 4.150 2.096 1.935 2.226 . 0 0 "[ . 1 . 2]" 1
99 1 10 LYS H 1 10 LYS HG3 4.230 . 4.860 3.226 3.063 3.409 . 0 0 "[ . 1 . 2]" 1
100 1 10 LYS H 1 11 ASN H 3.660 . 4.210 2.626 2.509 2.717 . 0 0 "[ . 1 . 2]" 1
101 1 10 LYS H 1 12 PHE H 4.820 . 5.540 4.279 4.150 4.506 . 0 0 "[ . 1 . 2]" 1
102 1 10 LYS HA 1 12 PHE H 4.850 . 5.580 4.261 4.096 4.401 . 0 0 "[ . 1 . 2]" 1
103 1 10 LYS HA 1 13 ALA H 4.280 . 4.920 3.224 2.868 3.783 . 0 0 "[ . 1 . 2]" 1
104 1 10 LYS HA 1 13 ALA MB 3.590 . 4.130 2.242 1.932 3.097 . 0 0 "[ . 1 . 2]" 1
105 1 10 LYS HB2 1 12 PHE H 5.500 . 6.330 5.775 5.640 5.879 . 0 0 "[ . 1 . 2]" 1
106 1 10 LYS HB3 1 11 ASN H 4.060 . 4.670 4.104 4.040 4.166 . 0 0 "[ . 1 . 2]" 1
107 1 10 LYS HB3 1 12 PHE H 5.500 . 6.330 5.958 5.827 6.052 . 0 0 "[ . 1 . 2]" 1
108 1 10 LYS QG 1 11 ASN H 4.170 . 4.800 2.422 2.312 2.590 . 0 0 "[ . 1 . 2]" 1
109 1 10 LYS QG 1 11 ASN HA 5.170 . 5.950 3.560 3.331 3.772 . 0 0 "[ . 1 . 2]" 1
110 1 10 LYS HG2 1 11 ASN H 5.010 . 5.760 2.938 2.716 3.152 . 0 0 "[ . 1 . 2]" 1
111 1 10 LYS HG3 1 11 ASN H 5.010 . 5.760 2.598 2.393 2.858 . 0 0 "[ . 1 . 2]" 1
112 1 11 ASN H 1 11 ASN HB2 3.280 . 3.770 2.577 2.400 2.670 . 0 0 "[ . 1 . 2]" 1
113 1 11 ASN H 1 11 ASN HB3 3.690 . 4.240 3.584 3.547 3.622 . 0 0 "[ . 1 . 2]" 1
114 1 11 ASN H 1 11 ASN HD21 4.120 . 4.740 4.382 4.121 4.686 . 0 0 "[ . 1 . 2]" 1
115 1 11 ASN H 1 12 PHE H 3.560 . 4.090 2.640 2.536 2.763 . 0 0 "[ . 1 . 2]" 1
116 1 11 ASN H 1 13 ALA H 4.370 . 5.030 3.817 3.677 4.161 . 0 0 "[ . 1 . 2]" 1
117 1 11 ASN H 1 13 ALA MB 5.500 . 6.330 4.486 4.351 4.900 . 0 0 "[ . 1 . 2]" 1
118 1 11 ASN HA 1 13 ALA MB 5.500 . 6.330 4.857 4.598 5.156 . 0 0 "[ . 1 . 2]" 1
119 1 11 ASN HA 1 17 THR H 4.270 . 4.910 3.215 2.600 4.109 . 0 0 "[ . 1 . 2]" 1
120 1 11 ASN HA 1 18 GLY H 4.620 . 5.310 3.503 3.120 3.976 . 0 0 "[ . 1 . 2]" 1
121 1 11 ASN HB2 1 12 PHE QD 4.280 . 4.920 2.174 1.860 2.453 . 0 0 "[ . 1 . 2]" 1
122 1 11 ASN HB2 1 12 PHE QE 4.950 . 5.690 3.592 3.168 3.866 . 0 0 "[ . 1 . 2]" 1
123 1 11 ASN HB2 1 20 CYS H 5.050 . 5.810 4.220 3.868 4.550 . 0 0 "[ . 1 . 2]" 1
124 1 11 ASN HB2 1 20 CYS HB2 4.650 . 5.350 4.851 4.541 5.114 . 0 0 "[ . 1 . 2]" 1
125 1 11 ASN HB3 1 18 GLY H 4.320 . 4.970 3.547 2.815 4.409 . 0 0 "[ . 1 . 2]" 1
126 1 11 ASN HB3 1 20 CYS HB2 4.840 . 5.570 5.267 4.910 5.703 0.133 12 0 "[ . 1 . 2]" 1
127 1 11 ASN HD21 1 20 CYS HA 4.520 . 5.200 2.667 1.790 3.078 0.010 9 0 "[ . 1 . 2]" 1
128 1 11 ASN HD21 1 20 CYS HB3 4.460 . 5.130 5.023 4.047 5.289 0.159 6 0 "[ . 1 . 2]" 1
129 1 11 ASN HD21 1 21 PRO HD2 4.780 . 5.500 3.727 2.893 4.306 . 0 0 "[ . 1 . 2]" 1
130 1 11 ASN HD21 1 21 PRO QD 3.970 . 4.570 2.551 2.086 3.013 . 0 0 "[ . 1 . 2]" 1
131 1 11 ASN HD21 1 21 PRO HD3 4.780 . 5.500 2.616 2.105 3.104 . 0 0 "[ . 1 . 2]" 1
132 1 11 ASN HD22 1 20 CYS HA 4.840 . 5.570 3.042 2.682 3.491 . 0 0 "[ . 1 . 2]" 1
133 1 11 ASN HD22 1 21 PRO QD 4.440 . 5.110 2.205 1.865 2.521 . 0 0 "[ . 1 . 2]" 1
134 1 12 PHE H 1 12 PHE QB 3.340 . 3.840 2.301 2.264 2.341 . 0 0 "[ . 1 . 2]" 1
135 1 12 PHE H 1 12 PHE QD 4.290 . 4.930 2.409 2.248 2.588 . 0 0 "[ . 1 . 2]" 1
136 1 12 PHE H 1 13 ALA H 3.300 . 3.800 2.451 2.288 2.629 . 0 0 "[ . 1 . 2]" 1
137 1 12 PHE H 1 13 ALA MB 4.440 . 5.110 4.118 3.986 4.273 . 0 0 "[ . 1 . 2]" 1
138 1 12 PHE HA 1 12 PHE QD 3.730 . 4.290 3.103 2.801 3.179 . 0 0 "[ . 1 . 2]" 1
139 1 12 PHE QB 1 31 PRO QG 4.380 . 5.040 2.743 2.249 3.867 . 0 0 "[ . 1 . 2]" 1
140 1 12 PHE HB2 1 13 ALA H 4.430 . 5.090 3.499 3.079 3.867 . 0 0 "[ . 1 . 2]" 1
141 1 12 PHE HB3 1 13 ALA H 4.430 . 5.090 4.078 3.763 4.289 . 0 0 "[ . 1 . 2]" 1
142 1 12 PHE QD 1 20 CYS H 4.780 . 5.500 4.003 3.559 4.366 . 0 0 "[ . 1 . 2]" 1
143 1 12 PHE QD 1 20 CYS HB2 4.240 . 4.880 4.676 4.369 4.912 0.032 16 0 "[ . 1 . 2]" 1
144 1 12 PHE QD 1 30 HIS HD2 4.220 . 4.850 3.419 2.941 4.084 . 0 0 "[ . 1 . 2]" 1
145 1 12 PHE QD 1 31 PRO QD 4.240 . 4.880 2.908 2.135 4.204 . 0 0 "[ . 1 . 2]" 1
146 1 12 PHE QE 1 20 CYS HB2 4.570 . 5.260 2.875 2.647 3.081 . 0 0 "[ . 1 . 2]" 1
147 1 12 PHE QE 1 20 CYS HB3 4.520 . 5.200 4.068 3.910 4.233 . 0 0 "[ . 1 . 2]" 1
148 1 12 PHE HZ 1 20 CYS H 4.510 . 5.190 3.515 3.081 3.936 . 0 0 "[ . 1 . 2]" 1
149 1 12 PHE HZ 1 20 CYS HB2 5.020 . 5.770 4.400 4.006 4.730 . 0 0 "[ . 1 . 2]" 1
150 1 12 PHE HZ 1 20 CYS HB3 5.410 . 6.220 6.003 5.611 6.284 0.064 14 0 "[ . 1 . 2]" 1
151 1 13 ALA H 1 13 ALA MB 3.240 . 3.730 2.266 2.229 2.322 . 0 0 "[ . 1 . 2]" 1
152 1 13 ALA H 1 14 ARG HA 5.500 . 6.330 5.582 5.337 5.746 . 0 0 "[ . 1 . 2]" 1
153 1 13 ALA HA 1 14 ARG H 3.470 . 3.990 2.305 2.188 2.402 . 0 0 "[ . 1 . 2]" 1
154 1 13 ALA MB 1 14 ARG H 3.560 . 4.090 2.751 2.460 3.250 . 0 0 "[ . 1 . 2]" 1
155 1 14 ARG H 1 14 ARG HB2 3.910 . 4.500 2.689 2.193 3.623 . 0 0 "[ . 1 . 2]" 1
156 1 14 ARG H 1 14 ARG QB 3.260 . 3.750 2.369 2.171 2.636 . 0 0 "[ . 1 . 2]" 1
157 1 14 ARG H 1 14 ARG HB3 3.910 . 4.500 3.004 2.503 3.647 . 0 0 "[ . 1 . 2]" 1
158 1 14 ARG HA 1 14 ARG HG2 4.130 . 4.750 3.322 2.515 3.834 . 0 0 "[ . 1 . 2]" 1
159 1 14 ARG HA 1 14 ARG QG 3.570 . 4.110 2.757 2.404 3.405 . 0 0 "[ . 1 . 2]" 1
160 1 14 ARG HA 1 14 ARG HG3 4.130 . 4.750 3.126 2.444 3.900 . 0 0 "[ . 1 . 2]" 1
161 1 15 GLY H 1 16 GLY H 3.780 . 4.350 2.419 2.051 2.658 . 0 0 "[ . 1 . 2]" 1
162 1 16 GLY QA 1 18 GLY H 4.140 . 4.760 3.303 3.047 3.731 . 0 0 "[ . 1 . 2]" 1
163 1 16 GLY HA2 1 17 THR H 3.410 . 3.920 2.648 2.405 2.974 . 0 0 "[ . 1 . 2]" 1
164 1 16 GLY HA3 1 17 THR H 3.410 . 3.920 2.503 2.250 2.760 . 0 0 "[ . 1 . 2]" 1
165 1 17 THR H 1 17 THR HB 3.900 . 4.490 3.366 2.642 3.783 . 0 0 "[ . 1 . 2]" 1
166 1 17 THR H 1 17 THR MG 3.490 . 4.010 2.405 1.882 3.846 . 0 0 "[ . 1 . 2]" 1
167 1 17 THR HA 1 17 THR MG 3.480 . 4.000 2.612 2.358 3.273 . 0 0 "[ . 1 . 2]" 1
168 1 17 THR HB 1 18 GLY H 4.330 . 4.980 3.886 3.358 4.371 . 0 0 "[ . 1 . 2]" 1
169 1 17 THR MG 1 18 GLY H 4.500 . 5.180 3.678 2.274 4.202 . 0 0 "[ . 1 . 2]" 1
170 1 17 THR MG 1 19 PHE H 4.930 . 5.670 3.508 1.715 4.497 0.085 20 0 "[ . 1 . 2]" 1
171 1 18 GLY H 1 19 PHE H 3.500 . 4.030 2.547 2.211 2.840 . 0 0 "[ . 1 . 2]" 1
172 1 19 PHE H 1 19 PHE HB2 3.770 . 4.340 2.893 2.537 3.095 . 0 0 "[ . 1 . 2]" 1
173 1 19 PHE H 1 19 PHE QB 3.220 . 3.700 2.482 2.389 2.644 . 0 0 "[ . 1 . 2]" 1
174 1 19 PHE H 1 19 PHE HB3 3.770 . 4.340 2.979 2.498 3.782 . 0 0 "[ . 1 . 2]" 1
175 1 19 PHE H 1 20 CYS H 4.400 . 5.060 4.316 4.143 4.442 . 0 0 "[ . 1 . 2]" 1
176 1 19 PHE HA 1 20 CYS H 2.990 . 3.440 2.205 2.172 2.232 . 0 0 "[ . 1 . 2]" 1
177 1 19 PHE QD 1 20 CYS H 5.180 . 5.960 3.887 3.096 4.535 . 0 0 "[ . 1 . 2]" 1
178 1 20 CYS H 1 20 CYS HB2 3.340 . 3.840 2.431 2.352 2.508 . 0 0 "[ . 1 . 2]" 1
179 1 20 CYS H 1 20 CYS HB3 3.660 . 4.210 3.628 3.576 3.663 . 0 0 "[ . 1 . 2]" 1
180 1 20 CYS H 1 21 PRO QD 4.910 . 5.650 4.416 4.300 4.513 . 0 0 "[ . 1 . 2]" 1
181 1 20 CYS H 1 23 GLY H 5.050 . 5.810 4.365 3.939 4.794 . 0 0 "[ . 1 . 2]" 1
182 1 20 CYS HB2 1 30 HIS HE1 3.920 . 4.510 4.034 3.471 4.355 . 0 0 "[ . 1 . 2]" 1
183 1 20 CYS HB3 1 22 TYR H 4.880 . 5.610 2.903 2.475 3.221 . 0 0 "[ . 1 . 2]" 1
184 1 20 CYS HB3 1 23 GLY H 4.650 . 5.350 3.089 2.559 3.994 . 0 0 "[ . 1 . 2]" 1
185 1 20 CYS HB3 1 30 HIS HE1 4.490 . 5.160 5.066 4.693 5.279 0.119 18 0 "[ . 1 . 2]" 1
186 1 21 PRO QB 1 22 TYR H 4.110 . 4.730 3.161 2.768 3.566 . 0 0 "[ . 1 . 2]" 1
187 1 21 PRO QD 1 22 TYR H 3.610 . 4.150 2.777 2.559 3.124 . 0 0 "[ . 1 . 2]" 1
188 1 21 PRO HD2 1 22 TYR H 4.430 . 5.090 2.836 2.596 3.224 . 0 0 "[ . 1 . 2]" 1
189 1 21 PRO HD3 1 22 TYR H 4.430 . 5.090 3.974 3.790 4.185 . 0 0 "[ . 1 . 2]" 1
190 1 21 PRO QG 1 22 TYR H 3.950 . 4.540 3.247 2.539 4.017 . 0 0 "[ . 1 . 2]" 1
191 1 21 PRO HG2 1 22 TYR H 4.740 . 5.450 3.414 2.566 4.378 . 0 0 "[ . 1 . 2]" 1
192 1 21 PRO HG3 1 22 TYR H 4.740 . 5.450 4.377 4.063 4.678 . 0 0 "[ . 1 . 2]" 1
193 1 22 TYR H 1 22 TYR HB2 3.130 . 3.600 2.502 2.374 2.638 . 0 0 "[ . 1 . 2]" 1
194 1 22 TYR H 1 22 TYR QD 4.180 . 4.810 2.386 2.097 2.824 . 0 0 "[ . 1 . 2]" 1
195 1 22 TYR H 1 23 GLY H 3.250 . 3.740 2.392 2.179 2.575 . 0 0 "[ . 1 . 2]" 1
196 1 22 TYR HA 1 22 TYR QD 3.800 . 4.370 2.954 2.687 3.146 . 0 0 "[ . 1 . 2]" 1
197 1 22 TYR HA 1 26 CYS HB2 5.370 . 6.180 5.162 4.818 5.590 . 0 0 "[ . 1 . 2]" 1
198 1 22 TYR HB2 1 23 GLY H 3.700 . 4.260 3.101 2.560 3.466 . 0 0 "[ . 1 . 2]" 1
199 1 22 TYR HB2 1 26 CYS HA 3.780 . 4.350 2.367 1.892 2.712 . 0 0 "[ . 1 . 2]" 1
200 1 22 TYR HB2 1 26 CYS HB2 4.470 . 5.140 2.451 2.098 2.857 . 0 0 "[ . 1 . 2]" 1
201 1 22 TYR HB2 1 27 GLU H 4.880 . 5.610 4.366 3.692 4.832 . 0 0 "[ . 1 . 2]" 1
202 1 22 TYR HB3 1 25 ARG H 4.080 . 4.690 3.874 3.304 4.389 . 0 0 "[ . 1 . 2]" 1
203 1 22 TYR HB3 1 26 CYS H 3.240 . 3.730 3.478 3.015 3.769 0.039 5 0 "[ . 1 . 2]" 1
204 1 22 TYR HB3 1 26 CYS HA 4.160 . 4.780 3.003 2.558 3.628 . 0 0 "[ . 1 . 2]" 1
205 1 22 TYR HB3 1 27 GLU H 5.500 . 6.330 4.772 4.108 5.402 . 0 0 "[ . 1 . 2]" 1
206 1 22 TYR QD 1 27 GLU H 4.690 . 5.390 4.525 3.603 5.098 . 0 0 "[ . 1 . 2]" 1
207 1 23 GLY H 1 24 LEU H 4.680 . 5.380 4.486 4.321 4.579 . 0 0 "[ . 1 . 2]" 1
208 1 23 GLY HA3 1 24 LEU H 3.040 . 3.500 2.173 2.152 2.220 . 0 0 "[ . 1 . 2]" 1
209 1 23 GLY HA3 1 24 LEU HB2 4.360 . 5.010 4.591 4.476 4.732 . 0 0 "[ . 1 . 2]" 1
210 1 23 GLY HA3 1 25 ARG H 4.080 . 4.690 3.623 3.269 3.992 . 0 0 "[ . 1 . 2]" 1
211 1 24 LEU H 1 24 LEU HB3 3.230 . 3.710 2.501 2.415 2.588 . 0 0 "[ . 1 . 2]" 1
212 1 24 LEU H 1 24 LEU MD1 4.920 . 5.660 4.207 4.147 4.283 . 0 0 "[ . 1 . 2]" 1
213 1 24 LEU H 1 24 LEU QD 4.270 . 4.910 3.797 3.758 3.841 . 0 0 "[ . 1 . 2]" 1
214 1 24 LEU H 1 24 LEU MD2 4.920 . 5.660 4.322 4.269 4.379 . 0 0 "[ . 1 . 2]" 1
215 1 24 LEU H 1 25 ARG H 3.800 . 4.370 2.514 2.438 2.648 . 0 0 "[ . 1 . 2]" 1
216 1 24 LEU HA 1 24 LEU QD 3.400 . 3.910 2.169 2.100 2.285 . 0 0 "[ . 1 . 2]" 1
217 1 24 LEU HA 1 24 LEU HG 4.190 . 4.820 3.203 3.050 3.363 . 0 0 "[ . 1 . 2]" 1
218 1 24 LEU HA 1 26 CYS H 4.550 . 5.230 3.613 3.345 3.802 . 0 0 "[ . 1 . 2]" 1
219 1 24 LEU HB2 1 26 CYS H 5.500 . 6.330 5.523 5.409 5.640 . 0 0 "[ . 1 . 2]" 1
220 1 24 LEU HB3 1 25 ARG H 3.570 . 4.110 2.979 2.785 3.258 . 0 0 "[ . 1 . 2]" 1
221 1 25 ARG H 1 25 ARG HB2 3.760 . 4.320 2.533 2.308 3.640 . 0 0 "[ . 1 . 2]" 1
222 1 25 ARG H 1 25 ARG QB 3.230 . 3.710 2.445 2.281 2.645 . 0 0 "[ . 1 . 2]" 1
223 1 25 ARG H 1 25 ARG HB3 3.760 . 4.320 3.572 2.716 3.641 . 0 0 "[ . 1 . 2]" 1
224 1 25 ARG H 1 25 ARG QG 3.630 . 4.170 2.390 1.962 3.628 . 0 0 "[ . 1 . 2]" 1
225 1 25 ARG H 1 26 CYS H 3.270 . 3.760 2.702 2.570 2.831 . 0 0 "[ . 1 . 2]" 1
226 1 25 ARG H 1 26 CYS HB2 4.890 . 5.620 4.750 4.457 5.052 . 0 0 "[ . 1 . 2]" 1
227 1 25 ARG HA 1 25 ARG QG 3.510 . 4.040 2.683 2.373 3.381 . 0 0 "[ . 1 . 2]" 1
228 1 25 ARG QB 1 26 CYS H 4.450 . 5.120 3.500 3.124 4.023 . 0 0 "[ . 1 . 2]" 1
229 1 25 ARG QG 1 26 CYS H 5.340 . 6.140 4.438 3.416 5.043 . 0 0 "[ . 1 . 2]" 1
230 1 26 CYS H 1 26 CYS HB2 3.270 . 3.760 2.574 2.461 2.679 . 0 0 "[ . 1 . 2]" 1
231 1 26 CYS H 1 26 CYS HB3 3.470 . 3.990 2.458 2.357 2.581 . 0 0 "[ . 1 . 2]" 1
232 1 26 CYS H 1 27 GLU H 4.670 . 5.370 4.508 4.429 4.643 . 0 0 "[ . 1 . 2]" 1
233 1 26 CYS HA 1 27 GLU H 3.040 . 3.500 2.154 2.111 2.236 . 0 0 "[ . 1 . 2]" 1
234 1 26 CYS HA 1 27 GLU HA 4.500 . 5.180 4.433 4.350 4.497 . 0 0 "[ . 1 . 2]" 1
235 1 26 CYS HA 1 27 GLU QB 4.760 . 5.470 4.439 4.293 4.639 . 0 0 "[ . 1 . 2]" 1
236 1 26 CYS HA 1 28 PHE H 4.160 . 4.780 3.797 3.504 4.374 . 0 0 "[ . 1 . 2]" 1
237 1 26 CYS HB2 1 27 GLU H 4.780 . 5.500 4.231 3.955 4.436 . 0 0 "[ . 1 . 2]" 1
238 1 26 CYS HB2 1 28 PHE H 5.500 . 6.330 4.734 4.452 4.929 . 0 0 "[ . 1 . 2]" 1
239 1 26 CYS HB2 1 30 HIS HE1 4.680 . 5.380 3.729 3.023 4.234 . 0 0 "[ . 1 . 2]" 1
240 1 26 CYS HB3 1 27 GLU H 5.320 . 6.120 4.257 3.964 4.387 . 0 0 "[ . 1 . 2]" 1
241 1 26 CYS HB3 1 30 HIS HE1 4.310 . 4.960 2.683 2.232 3.386 . 0 0 "[ . 1 . 2]" 1
242 1 27 GLU H 1 27 GLU QB 3.210 . 3.690 2.512 2.383 2.680 . 0 0 "[ . 1 . 2]" 1
243 1 27 GLU H 1 27 GLU QG 3.240 . 3.730 2.207 1.942 2.832 . 0 0 "[ . 1 . 2]" 1
244 1 27 GLU H 1 28 PHE H 3.430 . 3.940 2.533 2.097 2.819 . 0 0 "[ . 1 . 2]" 1
245 1 27 GLU QB 1 28 PHE H 4.420 . 5.080 3.025 2.265 3.705 . 0 0 "[ . 1 . 2]" 1
246 1 27 GLU HB2 1 28 PHE H 5.050 . 5.810 3.187 2.301 4.077 . 0 0 "[ . 1 . 2]" 1
247 1 27 GLU HB3 1 28 PHE H 5.050 . 5.810 3.925 3.383 4.253 . 0 0 "[ . 1 . 2]" 1
248 1 27 GLU QG 1 28 PHE H 4.390 . 5.050 3.486 2.141 4.457 . 0 0 "[ . 1 . 2]" 1
249 1 28 PHE H 1 28 PHE HB2 3.930 . 4.520 2.526 2.394 2.615 . 0 0 "[ . 1 . 2]" 1
250 1 28 PHE H 1 28 PHE QB 3.280 . 3.770 2.480 2.360 2.560 . 0 0 "[ . 1 . 2]" 1
251 1 28 PHE H 1 28 PHE HB3 3.930 . 4.520 3.626 3.575 3.728 . 0 0 "[ . 1 . 2]" 1
252 1 28 PHE H 1 28 PHE QE 4.600 . 5.290 4.327 4.066 4.600 . 0 0 "[ . 1 . 2]" 1
253 1 28 PHE H 1 29 VAL H 4.660 . 5.360 4.495 4.343 4.586 . 0 0 "[ . 1 . 2]" 1
254 1 28 PHE HA 1 29 VAL H 3.490 . 4.010 2.191 2.090 2.409 . 0 0 "[ . 1 . 2]" 1
255 1 28 PHE QB 1 29 VAL H 3.290 . 3.780 3.131 2.354 3.543 . 0 0 "[ . 1 . 2]" 1
256 1 28 PHE HB2 1 29 VAL H 3.820 . 4.390 4.124 3.554 4.376 . 0 0 "[ . 1 . 2]" 1
257 1 28 PHE HB3 1 29 VAL H 3.820 . 4.390 3.251 2.389 3.745 . 0 0 "[ . 1 . 2]" 1
258 1 29 VAL H 1 29 VAL HB 3.450 . 3.970 2.611 2.218 3.675 . 0 0 "[ . 1 . 2]" 1
259 1 29 VAL H 1 29 VAL MG1 4.510 . 5.190 3.123 1.888 3.846 . 0 0 "[ . 1 . 2]" 1
260 1 29 VAL H 1 29 VAL QG 3.830 . 4.400 2.134 1.883 2.662 . 0 0 "[ . 1 . 2]" 1
261 1 29 VAL H 1 29 VAL MG2 4.510 . 5.190 2.771 2.065 3.865 . 0 0 "[ . 1 . 2]" 1
262 1 29 VAL HA 1 30 HIS H 3.070 . 3.530 2.177 2.085 2.258 . 0 0 "[ . 1 . 2]" 1
263 1 29 VAL HB 1 30 HIS H 4.520 . 5.200 4.051 2.905 4.310 . 0 0 "[ . 1 . 2]" 1
264 1 29 VAL QG 1 30 HIS H 4.290 . 4.930 2.542 2.222 3.392 . 0 0 "[ . 1 . 2]" 1
265 1 29 VAL MG1 1 30 HIS H 4.930 . 5.670 3.100 2.364 3.960 . 0 0 "[ . 1 . 2]" 1
266 1 29 VAL MG2 1 30 HIS H 4.930 . 5.670 3.405 2.246 4.166 . 0 0 "[ . 1 . 2]" 1
267 1 30 HIS H 1 30 HIS HB2 3.870 . 4.450 2.568 2.472 2.699 . 0 0 "[ . 1 . 2]" 1
268 1 30 HIS H 1 30 HIS QB 3.340 . 3.840 2.518 2.435 2.632 . 0 0 "[ . 1 . 2]" 1
269 1 30 HIS H 1 30 HIS HB3 3.870 . 4.450 3.638 3.579 3.676 . 0 0 "[ . 1 . 2]" 1
270 1 30 HIS H 1 31 PRO QD 5.060 . 5.820 4.450 4.318 4.536 . 0 0 "[ . 1 . 2]" 1
271 1 30 HIS HA 1 30 HIS HD2 4.000 . 4.600 2.532 2.356 2.833 . 0 0 "[ . 1 . 2]" 1
272 1 30 HIS QB 1 32 THR H 4.300 . 4.950 2.913 2.490 3.574 . 0 0 "[ . 1 . 2]" 1
273 1 30 HIS HB2 1 32 THR H 4.930 . 5.670 3.576 2.810 4.248 . 0 0 "[ . 1 . 2]" 1
274 1 30 HIS HB3 1 32 THR H 4.930 . 5.670 3.104 2.742 3.866 . 0 0 "[ . 1 . 2]" 1
275 1 31 PRO HB3 1 32 THR H 4.540 . 5.220 4.274 4.067 4.540 . 0 0 "[ . 1 . 2]" 1
276 1 31 PRO QD 1 32 THR H 4.900 . 5.640 2.835 2.368 3.199 . 0 0 "[ . 1 . 2]" 1
277 1 31 PRO QG 1 32 THR H 3.970 . 4.570 2.716 2.314 4.145 . 0 0 "[ . 1 . 2]" 1
278 1 32 THR H 1 32 THR HB 3.630 . 4.170 3.077 2.593 3.596 . 0 0 "[ . 1 . 2]" 1
279 1 32 THR H 1 32 THR MG 4.070 . 4.680 3.044 1.920 4.004 . 0 0 "[ . 1 . 2]" 1
280 1 32 THR H 1 33 ASP H 3.950 . 4.540 2.861 2.195 3.965 . 0 0 "[ . 1 . 2]" 1
281 1 32 THR HA 1 32 THR MG 3.410 . 3.920 2.513 2.336 3.256 . 0 0 "[ . 1 . 2]" 1
282 1 32 THR HA 1 33 ASP H 3.230 . 3.710 3.038 2.238 3.553 . 0 0 "[ . 1 . 2]" 1
283 1 32 THR HB 1 33 ASP H 4.460 . 5.130 4.106 2.825 4.541 . 0 0 "[ . 1 . 2]" 1
284 1 33 ASP H 1 33 ASP HB2 3.890 . 4.470 2.815 2.429 3.994 . 0 0 "[ . 1 . 2]" 1
285 1 33 ASP H 1 33 ASP QB 3.280 . 3.770 2.420 2.210 3.324 . 0 0 "[ . 1 . 2]" 1
286 1 33 ASP H 1 33 ASP HB3 3.890 . 4.470 2.765 2.390 3.647 . 0 0 "[ . 1 . 2]" 1
287 1 33 ASP HA 1 34 LYS H 3.180 . 3.660 2.220 2.138 2.639 . 0 0 "[ . 1 . 2]" 1
288 1 33 ASP QB 1 34 LYS H 4.250 . 4.890 3.681 2.015 4.051 . 0 0 "[ . 1 . 2]" 1
289 1 33 ASP HB2 1 34 LYS H 4.890 . 5.620 4.243 3.297 4.549 . 0 0 "[ . 1 . 2]" 1
290 1 33 ASP HB3 1 34 LYS H 4.890 . 5.620 4.096 2.033 4.551 . 0 0 "[ . 1 . 2]" 1
291 1 34 LYS H 1 34 LYS QB 3.430 . 3.940 2.700 2.223 3.331 . 0 0 "[ . 1 . 2]" 1
292 1 34 LYS H 1 34 LYS HG2 5.320 . 6.120 3.806 2.079 4.778 . 0 0 "[ . 1 . 2]" 1
293 1 34 LYS H 1 34 LYS QG 4.550 . 5.230 3.144 2.031 4.247 . 0 0 "[ . 1 . 2]" 1
294 1 34 LYS H 1 34 LYS HG3 5.320 . 6.120 3.598 2.235 4.827 . 0 0 "[ . 1 . 2]" 1
295 1 34 LYS HA 1 35 GLU H 3.270 . 3.760 2.593 2.128 3.567 . 0 0 "[ . 1 . 2]" 1
296 1 35 GLU H 1 35 GLU QB 3.550 . 4.080 2.600 2.256 3.154 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 7:54:51 PM GMT (wattos1)