NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
386071 |
1ld6   |
5375 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ld6
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 484
_Distance_constraint_stats_list.Viol_count 349
_Distance_constraint_stats_list.Viol_total 223.622
_Distance_constraint_stats_list.Viol_max 0.340
_Distance_constraint_stats_list.Viol_rms 0.0239
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0641
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ARG 0.000 0.000 . 0 "[ . 1]"
1 2 PRO 0.359 0.059 7 0 "[ . 1]"
1 3 ASP 0.315 0.052 8 0 "[ . 1]"
1 4 PHE 0.618 0.082 8 0 "[ . 1]"
1 5 CYS 1.693 0.125 1 0 "[ . 1]"
1 6 LEU 1.612 0.125 1 0 "[ . 1]"
1 7 GLU 0.196 0.044 5 0 "[ . 1]"
1 8 PRO 0.000 0.000 . 0 "[ . 1]"
1 9 PRO 0.042 0.028 1 0 "[ . 1]"
1 10 TYR 0.042 0.028 1 0 "[ . 1]"
1 11 ALA 0.000 0.000 . 0 "[ . 1]"
1 12 GLY 0.113 0.055 10 0 "[ . 1]"
1 13 ALA 1.488 0.312 4 0 "[ . 1]"
1 14 CYS 0.299 0.062 8 0 "[ . 1]"
1 15 ARG 0.163 0.052 10 0 "[ . 1]"
1 16 ALA 0.113 0.051 2 0 "[ . 1]"
1 17 ALA 2.127 0.203 3 0 "[ . 1]"
1 18 ALA 0.527 0.087 2 0 "[ . 1]"
1 19 ALA 0.086 0.056 9 0 "[ . 1]"
1 20 ARG 0.577 0.089 5 0 "[ . 1]"
1 21 TYR 0.471 0.077 3 0 "[ . 1]"
1 22 PHE 1.521 0.161 10 0 "[ . 1]"
1 23 TYR 1.796 0.161 10 0 "[ . 1]"
1 24 ASN 0.993 0.089 2 0 "[ . 1]"
1 25 ALA 0.004 0.004 4 0 "[ . 1]"
1 26 LYS 0.000 0.000 . 0 "[ . 1]"
1 27 ALA 0.056 0.056 8 0 "[ . 1]"
1 28 GLY 2.615 0.189 8 0 "[ . 1]"
1 29 LEU 0.898 0.106 3 0 "[ . 1]"
1 30 CYS 0.927 0.122 9 0 "[ . 1]"
1 31 GLN 1.024 0.122 9 0 "[ . 1]"
1 32 THR 0.075 0.052 1 0 "[ . 1]"
1 33 PHE 0.105 0.052 1 0 "[ . 1]"
1 34 ALA 0.053 0.036 9 0 "[ . 1]"
1 35 TYR 0.616 0.256 1 0 "[ . 1]"
1 36 GLY 2.929 0.340 7 0 "[ . 1]"
1 37 ALA 0.139 0.055 10 0 "[ . 1]"
1 38 CYS 0.041 0.027 4 0 "[ . 1]"
1 39 ALA 0.041 0.027 4 0 "[ . 1]"
1 40 ALA 0.086 0.086 6 0 "[ . 1]"
1 41 LYS 0.094 0.086 6 0 "[ . 1]"
1 42 ARG 0.622 0.075 8 0 "[ . 1]"
1 43 ASN 0.387 0.155 7 0 "[ . 1]"
1 44 ASN 0.362 0.155 7 0 "[ . 1]"
1 45 PHE 1.285 0.103 2 0 "[ . 1]"
1 46 LYS 0.000 0.000 . 0 "[ . 1]"
1 47 SER 1.276 0.084 8 0 "[ . 1]"
1 48 ALA 1.843 0.148 8 0 "[ . 1]"
1 49 GLU 0.103 0.017 2 0 "[ . 1]"
1 50 ASP 0.632 0.084 8 0 "[ . 1]"
1 51 CYS 2.452 0.148 8 0 "[ . 1]"
1 52 LEU 0.062 0.031 10 0 "[ . 1]"
1 53 ARG 0.003 0.003 8 0 "[ . 1]"
1 54 THR 0.061 0.030 10 0 "[ . 1]"
1 55 CYS 0.873 0.074 8 0 "[ . 1]"
1 56 GLY 0.304 0.050 8 0 "[ . 1]"
1 57 GLY 0.000 0.000 . 0 "[ . 1]"
1 58 ALA 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ARG HA 1 2 PRO HD2 1.800 . 2.930 2.680 2.378 2.873 . 0 0 "[ . 1]" 1
2 1 1 ARG HA 1 2 PRO HD3 1.800 . 2.520 1.973 1.861 2.278 . 0 0 "[ . 1]" 1
3 1 1 ARG QB 1 1 ARG QD 1.800 . 5.310 2.150 1.932 2.496 . 0 0 "[ . 1]" 1
4 1 1 ARG QB 1 1 ARG HE 1.800 . 4.880 3.352 2.521 4.186 . 0 0 "[ . 1]" 1
5 1 1 ARG QD 1 1 ARG QG 1.800 . 3.760 2.037 1.963 2.091 . 0 0 "[ . 1]" 1
6 1 1 ARG QD 1 6 LEU MD2 1.800 . 6.470 2.877 1.839 4.260 . 0 0 "[ . 1]" 1
7 1 1 ARG QD 1 23 TYR QE 1.800 . 7.630 3.916 2.908 5.510 . 0 0 "[ . 1]" 1
8 1 1 ARG HE 1 6 LEU MD2 1.800 . 6.530 3.249 1.914 4.818 . 0 0 "[ . 1]" 1
9 1 1 ARG HE 1 23 TYR QE 1.800 . 7.630 4.859 2.724 6.488 . 0 0 "[ . 1]" 1
10 1 2 PRO HA 1 2 PRO HB3 1.800 . 2.770 2.271 2.262 2.282 . 0 0 "[ . 1]" 1
11 1 2 PRO HA 1 3 ASP H 1.800 . 2.490 2.162 2.136 2.256 . 0 0 "[ . 1]" 1
12 1 2 PRO HB2 1 3 ASP H 1.800 . 4.260 3.727 3.449 3.845 . 0 0 "[ . 1]" 1
13 1 2 PRO HB2 1 4 PHE H 1.800 . 3.830 3.764 3.561 3.842 0.012 1 0 "[ . 1]" 1
14 1 2 PRO HB2 1 4 PHE QD 1.800 . 7.620 3.571 3.420 3.676 . 0 0 "[ . 1]" 1
15 1 2 PRO HB2 1 4 PHE QE 1.800 . 7.500 3.066 2.856 3.224 . 0 0 "[ . 1]" 1
16 1 2 PRO HB2 1 5 CYS H 1.800 . 3.580 2.752 2.565 2.959 . 0 0 "[ . 1]" 1
17 1 2 PRO HB3 1 3 ASP H 1.800 . 3.730 3.473 3.159 3.599 . 0 0 "[ . 1]" 1
18 1 2 PRO HB3 1 4 PHE H 1.800 . 4.910 4.280 4.107 4.381 . 0 0 "[ . 1]" 1
19 1 2 PRO HB3 1 4 PHE QD 1.800 . 7.620 4.030 3.761 4.320 . 0 0 "[ . 1]" 1
20 1 2 PRO HB3 1 4 PHE QE 1.800 . 6.720 2.818 2.423 3.356 . 0 0 "[ . 1]" 1
21 1 2 PRO HB3 1 4 PHE HZ 1.800 . 5.500 2.737 2.451 3.084 . 0 0 "[ . 1]" 1
22 1 2 PRO HD3 1 2 PRO HG2 1.800 . 2.960 2.704 2.681 2.736 . 0 0 "[ . 1]" 1
23 1 2 PRO HG2 1 55 CYS H 1.800 . 4.260 4.295 4.273 4.319 0.059 7 0 "[ . 1]" 1
24 1 2 PRO HD2 1 2 PRO HG3 1.800 . 3.140 2.973 2.940 2.991 . 0 0 "[ . 1]" 1
25 1 2 PRO HD3 1 2 PRO HG3 1.800 . 2.650 2.293 2.271 2.311 . 0 0 "[ . 1]" 1
26 1 3 ASP H 1 4 PHE H 1.800 . 3.790 3.102 3.040 3.179 . 0 0 "[ . 1]" 1
27 1 3 ASP HA 1 4 PHE H 1.800 . 3.610 3.577 3.568 3.586 . 0 0 "[ . 1]" 1
28 1 3 ASP HA 1 6 LEU HG 1.800 . 2.740 2.772 2.754 2.792 0.052 8 0 "[ . 1]" 1
29 1 3 ASP QB 1 4 PHE H 1.800 . 4.860 2.343 2.156 2.550 . 0 0 "[ . 1]" 1
30 1 3 ASP QB 1 6 LEU HG 1.800 . 5.480 4.505 4.225 4.684 . 0 0 "[ . 1]" 1
31 1 3 ASP QB 1 6 LEU MD1 1.800 . 7.400 3.769 3.267 4.038 . 0 0 "[ . 1]" 1
32 1 3 ASP QB 1 42 ARG QG 1.800 . 7.250 5.730 5.535 5.787 . 0 0 "[ . 1]" 1
33 1 4 PHE H 1 4 PHE HA 1.800 . 3.140 2.749 2.740 2.776 . 0 0 "[ . 1]" 1
34 1 4 PHE H 1 4 PHE HB3 1.800 . 3.080 2.738 2.627 2.851 . 0 0 "[ . 1]" 1
35 1 4 PHE H 1 4 PHE QD 1.800 . 5.950 2.166 1.921 2.488 . 0 0 "[ . 1]" 1
36 1 4 PHE H 1 5 CYS H 1.800 . 3.170 2.842 2.741 2.876 . 0 0 "[ . 1]" 1
37 1 4 PHE HA 1 4 PHE HB2 1.800 . 2.590 2.560 2.511 2.603 0.013 10 0 "[ . 1]" 1
38 1 4 PHE HA 1 4 PHE HB3 1.800 . 2.430 2.337 2.309 2.373 . 0 0 "[ . 1]" 1
39 1 4 PHE HA 1 4 PHE QD 1.800 . 6.880 3.683 3.632 3.707 . 0 0 "[ . 1]" 1
40 1 4 PHE HA 1 5 CYS H 1.800 . 4.480 3.472 3.431 3.507 . 0 0 "[ . 1]" 1
41 1 4 PHE HA 1 6 LEU H 1.800 . 5.500 3.548 3.421 3.703 . 0 0 "[ . 1]" 1
42 1 4 PHE HA 1 7 GLU H 1.800 . 4.790 3.276 3.119 3.413 . 0 0 "[ . 1]" 1
43 1 4 PHE HA 1 7 GLU QG 1.800 . 5.380 3.243 1.887 4.762 . 0 0 "[ . 1]" 1
44 1 4 PHE HB2 1 5 CYS H 1.800 . 3.730 3.789 3.753 3.812 0.082 8 0 "[ . 1]" 1
45 1 4 PHE HB2 1 42 ARG QB 1.800 . 4.630 2.135 1.807 3.175 . 0 0 "[ . 1]" 1
46 1 4 PHE HB3 1 42 ARG QB 1.800 . 5.500 2.498 1.833 3.136 . 0 0 "[ . 1]" 1
47 1 4 PHE QD 1 5 CYS H 1.800 . 6.100 3.186 2.819 3.544 . 0 0 "[ . 1]" 1
48 1 4 PHE QD 1 5 CYS HA 1.800 . 7.620 3.303 2.898 3.780 . 0 0 "[ . 1]" 1
49 1 4 PHE QD 1 42 ARG QB 1.800 . 7.130 3.197 2.621 4.091 . 0 0 "[ . 1]" 1
50 1 4 PHE QD 1 43 ASN HA 1.800 . 7.030 3.513 2.216 4.081 . 0 0 "[ . 1]" 1
51 1 4 PHE QD 1 43 ASN HB2 1.800 . 6.690 4.517 1.911 5.392 . 0 0 "[ . 1]" 1
52 1 4 PHE QE 1 42 ARG QB 1.800 . 7.620 4.599 3.789 5.690 . 0 0 "[ . 1]" 1
53 1 4 PHE QE 1 43 ASN HA 1.800 . 7.620 5.042 3.856 5.692 . 0 0 "[ . 1]" 1
54 1 5 CYS H 1 5 CYS QB 1.800 . 2.770 2.427 2.085 2.498 . 0 0 "[ . 1]" 1
55 1 5 CYS H 1 6 LEU H 1.800 . 2.490 2.600 2.582 2.615 0.125 1 0 "[ . 1]" 1
56 1 5 CYS QB 1 6 LEU H 1.800 . 4.600 3.004 2.878 3.081 . 0 0 "[ . 1]" 1
57 1 5 CYS QB 1 23 TYR QD 1.800 . 6.520 2.336 1.974 3.755 . 0 0 "[ . 1]" 1
58 1 5 CYS QB 1 23 TYR QE 1.800 . 6.730 3.215 2.516 3.920 . 0 0 "[ . 1]" 1
59 1 6 LEU H 1 6 LEU QB 1.800 . 3.710 2.612 2.550 2.686 . 0 0 "[ . 1]" 1
60 1 6 LEU H 1 6 LEU HG 1.800 . 2.740 2.075 1.978 2.195 . 0 0 "[ . 1]" 1
61 1 6 LEU H 1 6 LEU MD1 1.800 . 5.810 3.545 3.450 3.670 . 0 0 "[ . 1]" 1
62 1 6 LEU H 1 6 LEU MD2 1.800 . 6.530 3.195 3.027 3.257 . 0 0 "[ . 1]" 1
63 1 6 LEU H 1 7 GLU H 1.800 . 2.400 2.414 2.353 2.444 0.044 5 0 "[ . 1]" 1
64 1 6 LEU HA 1 6 LEU MD2 1.800 . 3.680 2.159 1.942 2.398 . 0 0 "[ . 1]" 1
65 1 6 LEU HA 1 7 GLU H 1.800 . 5.130 3.389 3.333 3.425 . 0 0 "[ . 1]" 1
66 1 6 LEU QB 1 6 LEU MD1 1.800 . 5.110 2.075 2.027 2.102 . 0 0 "[ . 1]" 1
67 1 6 LEU QB 1 6 LEU MD2 1.800 . 5.790 2.280 2.160 2.379 . 0 0 "[ . 1]" 1
68 1 6 LEU QB 1 7 GLU H 1.800 . 5.110 3.170 3.075 3.274 . 0 0 "[ . 1]" 1
69 1 7 GLU H 1 7 GLU QB 1.800 . 3.300 2.338 2.126 2.535 . 0 0 "[ . 1]" 1
70 1 7 GLU H 1 7 GLU QG 1.800 . 4.920 3.094 2.123 4.067 . 0 0 "[ . 1]" 1
71 1 7 GLU H 1 43 ASN QD 1.800 . 5.500 3.333 2.821 4.463 . 0 0 "[ . 1]" 1
72 1 7 GLU HA 1 7 GLU QG 1.800 . 6.380 2.438 2.065 2.855 . 0 0 "[ . 1]" 1
73 1 7 GLU HA 1 8 PRO QD 1.800 . 2.860 1.944 1.826 1.999 . 0 0 "[ . 1]" 1
74 1 7 GLU QB 1 7 GLU QG 1.800 . 4.110 2.034 2.010 2.081 . 0 0 "[ . 1]" 1
75 1 7 GLU QB 1 40 ALA MB 1.800 . 5.470 3.567 2.709 4.068 . 0 0 "[ . 1]" 1
76 1 8 PRO HA 1 9 PRO QD 1.800 . 4.180 2.016 1.818 2.145 . 0 0 "[ . 1]" 1
77 1 8 PRO HA 1 22 PHE QD 1.800 . 7.620 4.663 3.952 5.370 . 0 0 "[ . 1]" 1
78 1 8 PRO QB 1 9 PRO QD 1.800 . 7.250 2.474 2.238 2.684 . 0 0 "[ . 1]" 1
79 1 8 PRO QD 1 8 PRO QG 1.800 . 2.830 1.954 1.946 1.972 . 0 0 "[ . 1]" 1
80 1 8 PRO QG 1 9 PRO QD 1.800 . 5.260 4.110 3.980 4.205 . 0 0 "[ . 1]" 1
81 1 9 PRO HA 1 10 TYR H 1.800 . 3.170 2.467 2.196 2.740 . 0 0 "[ . 1]" 1
82 1 9 PRO HB2 1 10 TYR H 1.800 . 3.170 2.554 1.883 3.198 0.028 1 0 "[ . 1]" 1
83 1 9 PRO HB2 1 33 PHE QE 1.800 . 7.620 3.762 2.724 4.836 . 0 0 "[ . 1]" 1
84 1 9 PRO HB2 1 37 ALA MB 1.800 . 5.660 3.276 2.512 4.361 . 0 0 "[ . 1]" 1
85 1 9 PRO HB3 1 33 PHE QE 1.800 . 6.380 3.110 2.197 3.624 . 0 0 "[ . 1]" 1
86 1 9 PRO QD 1 9 PRO QG 1.800 . 4.800 1.954 1.940 1.965 . 0 0 "[ . 1]" 1
87 1 9 PRO QG 1 22 PHE QD 1.800 . 7.620 3.019 2.335 3.770 . 0 0 "[ . 1]" 1
88 1 9 PRO QG 1 22 PHE QE 1.800 . 7.620 2.826 2.526 3.340 . 0 0 "[ . 1]" 1
89 1 9 PRO QD 1 22 PHE QD 1.800 . 7.850 3.134 2.459 3.871 . 0 0 "[ . 1]" 1
90 1 10 TYR H 1 10 TYR QB 1.800 . 3.420 2.931 2.242 3.132 . 0 0 "[ . 1]" 1
91 1 10 TYR H 1 38 CYS H 1.800 . 4.260 3.906 3.427 4.218 . 0 0 "[ . 1]" 1
92 1 10 TYR HA 1 10 TYR QB 1.800 . 2.650 2.199 2.175 2.394 . 0 0 "[ . 1]" 1
93 1 10 TYR HA 1 10 TYR QD 1.800 . 6.150 3.642 3.040 3.744 . 0 0 "[ . 1]" 1
94 1 10 TYR HA 1 11 ALA H 1.800 . 2.770 2.258 2.151 2.416 . 0 0 "[ . 1]" 1
95 1 10 TYR QB 1 11 ALA H 1.800 . 3.480 2.880 2.518 3.186 . 0 0 "[ . 1]" 1
96 1 10 TYR QD 1 11 ALA H 1.800 . 7.640 3.853 2.463 4.504 . 0 0 "[ . 1]" 1
97 1 10 TYR QD 1 11 ALA MB 1.800 . 8.670 4.939 4.039 5.344 . 0 0 "[ . 1]" 1
98 1 10 TYR QD 1 12 GLY QA 1.800 . 7.640 3.768 3.006 4.779 . 0 0 "[ . 1]" 1
99 1 10 TYR QD 1 40 ALA MB 1.800 . 8.020 4.016 3.247 5.032 . 0 0 "[ . 1]" 1
100 1 10 TYR QE 1 12 GLY QA 1.800 . 7.630 4.305 1.993 6.018 . 0 0 "[ . 1]" 1
101 1 10 TYR QE 1 13 ALA H 1.800 . 7.630 5.310 4.123 6.647 . 0 0 "[ . 1]" 1
102 1 10 TYR QE 1 38 CYS QB 1.800 . 7.040 2.711 2.362 3.622 . 0 0 "[ . 1]" 1
103 1 10 TYR QE 1 40 ALA HA 1.800 . 6.080 3.449 2.729 4.341 . 0 0 "[ . 1]" 1
104 1 10 TYR QE 1 40 ALA MB 1.800 . 8.660 4.242 3.084 5.059 . 0 0 "[ . 1]" 1
105 1 11 ALA H 1 11 ALA MB 1.800 . 3.950 2.378 2.242 2.602 . 0 0 "[ . 1]" 1
106 1 11 ALA HA 1 12 GLY H 1.800 . 2.590 2.202 2.136 2.380 . 0 0 "[ . 1]" 1
107 1 11 ALA HA 1 38 CYS H 1.800 . 4.760 3.412 2.344 4.448 . 0 0 "[ . 1]" 1
108 1 11 ALA MB 1 12 GLY H 1.800 . 5.500 3.445 3.180 3.681 . 0 0 "[ . 1]" 1
109 1 12 GLY H 1 12 GLY QA 1.800 . 2.800 2.430 2.253 2.500 . 0 0 "[ . 1]" 1
110 1 12 GLY H 1 37 ALA HA 1.800 . 3.550 3.443 2.905 3.605 0.055 10 0 "[ . 1]" 1
111 1 12 GLY QA 1 13 ALA H 1.800 . 2.460 2.180 2.115 2.236 . 0 0 "[ . 1]" 1
112 1 13 ALA H 1 13 ALA HA 1.800 . 2.520 2.543 2.273 2.832 0.312 4 0 "[ . 1]" 1
113 1 13 ALA H 1 13 ALA MB 1.800 . 3.610 2.596 2.185 2.920 . 0 0 "[ . 1]" 1
114 1 13 ALA H 1 14 CYS H 1.800 . 4.540 3.254 2.530 3.917 . 0 0 "[ . 1]" 1
115 1 13 ALA HA 1 14 CYS H 1.800 . 2.830 2.543 2.191 2.850 0.020 4 0 "[ . 1]" 1
116 1 13 ALA MB 1 14 CYS H 1.800 . 5.290 3.644 3.501 3.716 . 0 0 "[ . 1]" 1
117 1 14 CYS H 1 14 CYS QB 1.800 . 3.730 2.978 2.757 3.340 . 0 0 "[ . 1]" 1
118 1 14 CYS H 1 36 GLY HA3 1.800 . 4.540 4.148 2.788 4.602 0.062 8 0 "[ . 1]" 1
119 1 14 CYS H 1 36 GLY HA2 1.800 . 5.500 3.803 2.591 5.536 0.036 9 0 "[ . 1]" 1
120 1 14 CYS HA 1 15 ARG H 1.800 . 2.520 2.408 2.129 2.572 0.052 10 0 "[ . 1]" 1
121 1 14 CYS QB 1 15 ARG H 1.800 . 3.700 2.730 2.018 3.349 . 0 0 "[ . 1]" 1
122 1 15 ARG H 1 15 ARG QB 1.800 . 3.920 2.917 2.577 3.299 . 0 0 "[ . 1]" 1
123 1 15 ARG H 1 15 ARG QG 1.800 . 5.500 3.183 1.856 4.341 . 0 0 "[ . 1]" 1
124 1 15 ARG HA 1 15 ARG QB 1.800 . 2.650 2.299 2.172 2.397 . 0 0 "[ . 1]" 1
125 1 15 ARG HA 1 15 ARG QG 1.800 . 5.310 2.757 2.248 3.342 . 0 0 "[ . 1]" 1
126 1 15 ARG HA 1 15 ARG QD 1.800 . 6.380 3.798 2.398 4.334 . 0 0 "[ . 1]" 1
127 1 15 ARG HA 1 16 ALA H 1.800 . 2.960 2.357 2.153 3.011 0.051 2 0 "[ . 1]" 1
128 1 15 ARG HA 1 35 TYR QD 1.800 . 7.390 5.329 2.815 6.596 . 0 0 "[ . 1]" 1
129 1 15 ARG QB 1 15 ARG QD 1.800 . 4.020 2.077 1.924 2.300 . 0 0 "[ . 1]" 1
130 1 15 ARG QD 1 15 ARG QG 1.800 . 5.790 2.041 1.999 2.085 . 0 0 "[ . 1]" 1
131 1 16 ALA H 1 16 ALA MB 1.800 . 4.230 2.746 2.118 2.985 . 0 0 "[ . 1]" 1
132 1 16 ALA HA 1 17 ALA H 1.800 . 2.400 2.199 2.112 2.262 . 0 0 "[ . 1]" 1
133 1 16 ALA HA 1 18 ALA H 1.800 . 4.200 4.067 3.733 4.231 0.031 8 0 "[ . 1]" 1
134 1 17 ALA H 1 17 ALA HA 1.800 . 2.620 2.760 2.274 2.823 0.203 3 0 "[ . 1]" 1
135 1 17 ALA H 1 17 ALA MB 1.800 . 3.770 2.807 2.746 2.949 . 0 0 "[ . 1]" 1
136 1 17 ALA H 1 18 ALA H 1.800 . 3.360 2.452 2.220 2.819 . 0 0 "[ . 1]" 1
137 1 17 ALA HA 1 18 ALA H 1.800 . 2.620 2.623 2.474 2.707 0.087 2 0 "[ . 1]" 1
138 1 17 ALA MB 1 18 ALA H 1.800 . 4.790 3.697 3.669 3.715 . 0 0 "[ . 1]" 1
139 1 17 ALA MB 1 33 PHE HB2 1.800 . 6.530 4.183 2.599 5.161 . 0 0 "[ . 1]" 1
140 1 17 ALA MB 1 33 PHE QD 1.800 . 8.650 4.899 3.340 6.170 . 0 0 "[ . 1]" 1
141 1 18 ALA H 1 18 ALA MB 1.800 . 4.050 2.237 2.045 2.861 . 0 0 "[ . 1]" 1
142 1 18 ALA H 1 19 ALA H 1.800 . 5.000 4.302 3.062 4.625 . 0 0 "[ . 1]" 1
143 1 18 ALA HA 1 19 ALA H 1.800 . 2.620 2.393 2.142 2.676 0.056 9 0 "[ . 1]" 1
144 1 19 ALA H 1 19 ALA HA 1.800 . 3.080 2.634 2.274 2.877 . 0 0 "[ . 1]" 1
145 1 19 ALA H 1 19 ALA MB 1.800 . 3.860 2.669 2.080 2.920 . 0 0 "[ . 1]" 1
146 1 19 ALA H 1 20 ARG H 1.800 . 3.670 2.749 1.815 3.672 0.002 3 0 "[ . 1]" 1
147 1 19 ALA HA 1 21 TYR QE 1.800 . 7.630 4.732 3.676 5.889 . 0 0 "[ . 1]" 1
148 1 19 ALA MB 1 20 ARG H 1.800 . 5.010 3.297 2.468 3.722 . 0 0 "[ . 1]" 1
149 1 20 ARG H 1 20 ARG HB2 1.800 . 3.520 2.743 2.412 2.885 . 0 0 "[ . 1]" 1
150 1 20 ARG H 1 20 ARG HB3 1.800 . 3.920 3.819 3.639 3.912 . 0 0 "[ . 1]" 1
151 1 20 ARG H 1 20 ARG QG 1.800 . 4.570 3.049 2.590 3.447 . 0 0 "[ . 1]" 1
152 1 20 ARG H 1 32 THR MG 1.800 . 6.530 5.033 3.162 5.450 . 0 0 "[ . 1]" 1
153 1 20 ARG HA 1 21 TYR H 1.800 . 2.550 2.481 2.339 2.595 0.045 8 0 "[ . 1]" 1
154 1 20 ARG HA 1 21 TYR QE 1.800 . 7.630 3.931 3.413 4.446 . 0 0 "[ . 1]" 1
155 1 20 ARG HA 1 33 PHE QE 1.800 . 7.620 4.439 3.773 5.528 . 0 0 "[ . 1]" 1
156 1 20 ARG HB2 1 21 TYR H 1.800 . 3.550 3.416 2.870 3.627 0.077 3 0 "[ . 1]" 1
157 1 20 ARG HB2 1 33 PHE QE 1.800 . 6.750 2.767 1.962 3.812 . 0 0 "[ . 1]" 1
158 1 20 ARG HB3 1 20 ARG HE 1.800 . 3.360 3.265 2.931 3.449 0.089 5 0 "[ . 1]" 1
159 1 20 ARG HB3 1 21 TYR H 1.800 . 2.590 2.255 1.983 2.522 . 0 0 "[ . 1]" 1
160 1 20 ARG HB3 1 33 PHE QD 1.800 . 7.090 3.315 2.461 4.752 . 0 0 "[ . 1]" 1
161 1 20 ARG HB3 1 33 PHE QE 1.800 . 6.850 2.586 2.024 3.676 . 0 0 "[ . 1]" 1
162 1 20 ARG QD 1 20 ARG QG 1.800 . 4.010 2.031 2.022 2.037 . 0 0 "[ . 1]" 1
163 1 21 TYR H 1 21 TYR QB 1.800 . 3.770 2.696 2.516 2.857 . 0 0 "[ . 1]" 1
164 1 21 TYR H 1 33 PHE QE 1.800 . 7.620 3.071 2.266 3.855 . 0 0 "[ . 1]" 1
165 1 21 TYR H 1 45 PHE H 1.800 . 3.480 3.106 2.475 3.387 . 0 0 "[ . 1]" 1
166 1 21 TYR H 1 45 PHE HB3 1.800 . 5.410 4.920 4.659 5.188 . 0 0 "[ . 1]" 1
167 1 21 TYR HA 1 22 PHE H 1.800 . 2.550 2.438 2.293 2.539 . 0 0 "[ . 1]" 1
168 1 21 TYR HA 1 22 PHE QD 1.800 . 7.620 3.310 2.902 4.104 . 0 0 "[ . 1]" 1
169 1 21 TYR HA 1 31 GLN H 1.800 . 4.230 4.089 3.850 4.283 0.053 2 0 "[ . 1]" 1
170 1 21 TYR HA 1 32 THR HA 1.800 . 3.330 2.308 2.081 2.577 . 0 0 "[ . 1]" 1
171 1 21 TYR HA 1 32 THR MG 1.800 . 6.530 4.904 3.759 5.317 . 0 0 "[ . 1]" 1
172 1 21 TYR HA 1 33 PHE QD 1.800 . 7.620 3.329 3.070 3.982 . 0 0 "[ . 1]" 1
173 1 21 TYR QB 1 22 PHE H 1.800 . 3.990 2.306 2.132 2.599 . 0 0 "[ . 1]" 1
174 1 21 TYR QB 1 30 CYS HA 1.800 . 6.380 4.630 4.427 5.034 . 0 0 "[ . 1]" 1
175 1 21 TYR QB 1 45 PHE H 1.800 . 6.380 3.827 3.342 4.074 . 0 0 "[ . 1]" 1
176 1 21 TYR QB 1 45 PHE HB3 1.800 . 5.790 4.264 3.730 4.645 . 0 0 "[ . 1]" 1
177 1 21 TYR QB 1 45 PHE QD 1.800 . 8.500 4.166 3.852 4.555 . 0 0 "[ . 1]" 1
178 1 21 TYR QB 1 48 ALA HA 1.800 . 5.450 2.634 2.433 2.795 . 0 0 "[ . 1]" 1
179 1 21 TYR QB 1 51 CYS HB2 1.800 . 3.590 3.127 2.751 3.213 . 0 0 "[ . 1]" 1
180 1 21 TYR QB 1 51 CYS HB3 1.800 . 6.380 3.270 3.014 3.429 . 0 0 "[ . 1]" 1
181 1 21 TYR QD 1 22 PHE H 1.800 . 6.650 3.823 3.547 4.021 . 0 0 "[ . 1]" 1
182 1 21 TYR QD 1 31 GLN H 1.800 . 6.800 3.743 3.177 3.928 . 0 0 "[ . 1]" 1
183 1 21 TYR QD 1 32 THR MG 1.800 . 7.490 4.542 3.347 5.304 . 0 0 "[ . 1]" 1
184 1 21 TYR QD 1 48 ALA H 1.800 . 7.640 3.241 3.125 3.393 . 0 0 "[ . 1]" 1
185 1 21 TYR QD 1 48 ALA MB 1.800 . 7.370 2.620 2.224 3.048 . 0 0 "[ . 1]" 1
186 1 21 TYR QE 1 31 GLN H 1.800 . 7.630 5.858 5.148 6.144 . 0 0 "[ . 1]" 1
187 1 21 TYR QE 1 32 THR MG 1.800 . 6.640 4.107 2.690 4.767 . 0 0 "[ . 1]" 1
188 1 21 TYR QE 1 47 SER HA 1.800 . 6.330 2.784 2.124 4.344 . 0 0 "[ . 1]" 1
189 1 21 TYR QE 1 48 ALA H 1.800 . 7.630 3.174 2.779 3.899 . 0 0 "[ . 1]" 1
190 1 21 TYR QE 1 48 ALA HA 1.800 . 7.630 4.598 4.282 4.869 . 0 0 "[ . 1]" 1
191 1 21 TYR QE 1 48 ALA MB 1.800 . 6.740 2.902 2.524 3.164 . 0 0 "[ . 1]" 1
192 1 22 PHE H 1 22 PHE QD 1.800 . 5.950 3.028 2.784 3.391 . 0 0 "[ . 1]" 1
193 1 22 PHE H 1 30 CYS HA 1.800 . 4.380 4.075 3.941 4.233 . 0 0 "[ . 1]" 1
194 1 22 PHE H 1 31 GLN H 1.800 . 3.360 2.250 2.096 2.408 . 0 0 "[ . 1]" 1
195 1 22 PHE H 1 32 THR HA 1.800 . 4.510 4.052 3.816 4.183 . 0 0 "[ . 1]" 1
196 1 22 PHE HA 1 22 PHE HB2 1.800 . 2.460 2.495 2.437 2.526 0.066 7 0 "[ . 1]" 1
197 1 22 PHE HA 1 22 PHE HB3 1.800 . 2.680 2.392 2.365 2.440 . 0 0 "[ . 1]" 1
198 1 22 PHE HA 1 23 TYR H 1.800 . 2.860 2.303 2.214 2.363 . 0 0 "[ . 1]" 1
199 1 22 PHE HB2 1 23 TYR H 1.800 . 3.140 2.619 2.475 2.764 . 0 0 "[ . 1]" 1
200 1 22 PHE HB2 1 33 PHE HZ 1.800 . 5.310 4.370 3.769 4.847 . 0 0 "[ . 1]" 1
201 1 22 PHE HB3 1 23 TYR H 1.800 . 3.670 3.785 3.742 3.831 0.161 10 0 "[ . 1]" 1
202 1 22 PHE HB3 1 33 PHE HZ 1.800 . 4.380 2.853 2.258 3.247 . 0 0 "[ . 1]" 1
203 1 22 PHE QD 1 23 TYR H 1.800 . 7.620 3.707 3.185 3.943 . 0 0 "[ . 1]" 1
204 1 22 PHE QD 1 24 ASN HA 1.800 . 6.320 3.877 3.609 4.154 . 0 0 "[ . 1]" 1
205 1 22 PHE QD 1 33 PHE HA 1.800 . 7.620 3.570 3.270 4.029 . 0 0 "[ . 1]" 1
206 1 22 PHE QD 1 33 PHE HB3 1.800 . 7.620 4.945 4.567 5.264 . 0 0 "[ . 1]" 1
207 1 22 PHE QD 1 33 PHE QD 1.800 . 9.740 3.271 2.765 3.464 . 0 0 "[ . 1]" 1
208 1 22 PHE QE 1 24 ASN HA 1.800 . 6.290 4.491 3.861 4.970 . 0 0 "[ . 1]" 1
209 1 22 PHE QE 1 24 ASN HD22 1.800 . 7.620 5.150 4.932 5.460 . 0 0 "[ . 1]" 1
210 1 22 PHE QE 1 33 PHE HB3 1.800 . 7.620 4.311 3.806 4.576 . 0 0 "[ . 1]" 1
211 1 22 PHE QE 1 34 ALA H 1.800 . 7.620 3.584 3.010 4.397 . 0 0 "[ . 1]" 1
212 1 22 PHE QE 1 37 ALA MB 1.800 . 8.650 3.851 3.090 4.313 . 0 0 "[ . 1]" 1
213 1 23 TYR H 1 23 TYR HB2 1.800 . 2.990 2.752 2.723 2.843 . 0 0 "[ . 1]" 1
214 1 23 TYR H 1 23 TYR HB3 1.800 . 3.140 2.531 2.437 2.556 . 0 0 "[ . 1]" 1
215 1 23 TYR H 1 43 ASN QD 1.800 . 5.500 3.332 3.091 3.646 . 0 0 "[ . 1]" 1
216 1 23 TYR H 1 45 PHE QD 1.800 . 7.620 3.858 3.405 4.383 . 0 0 "[ . 1]" 1
217 1 23 TYR HA 1 23 TYR QD 1.800 . 5.440 2.588 2.413 2.793 . 0 0 "[ . 1]" 1
218 1 23 TYR HA 1 24 ASN H 1.800 . 2.400 2.183 2.139 2.222 . 0 0 "[ . 1]" 1
219 1 23 TYR HA 1 30 CYS HA 1.800 . 2.400 2.269 2.038 2.407 0.007 4 0 "[ . 1]" 1
220 1 23 TYR HA 1 31 GLN H 1.800 . 4.690 4.038 3.908 4.141 . 0 0 "[ . 1]" 1
221 1 23 TYR HB2 1 24 ASN H 1.800 . 4.010 4.047 4.010 4.099 0.089 2 0 "[ . 1]" 1
222 1 23 TYR HB2 1 30 CYS HA 1.800 . 5.500 4.593 4.252 4.764 . 0 0 "[ . 1]" 1
223 1 23 TYR HB2 1 55 CYS QB 1.800 . 3.140 2.334 2.141 2.609 . 0 0 "[ . 1]" 1
224 1 23 TYR HB2 1 56 GLY H 1.800 . 5.070 5.097 5.080 5.120 0.050 8 0 "[ . 1]" 1
225 1 23 TYR HB3 1 55 CYS QB 1.800 . 5.500 3.269 3.085 3.492 . 0 0 "[ . 1]" 1
226 1 23 TYR QD 1 24 ASN H 1.800 . 7.640 3.143 2.915 3.359 . 0 0 "[ . 1]" 1
227 1 23 TYR QD 1 25 ALA HA 1.800 . 7.640 3.524 3.303 3.653 . 0 0 "[ . 1]" 1
228 1 23 TYR QD 1 30 CYS HA 1.800 . 7.640 3.897 3.706 4.079 . 0 0 "[ . 1]" 1
229 1 23 TYR QD 1 52 LEU MD2 1.800 . 8.670 3.470 3.175 3.975 . 0 0 "[ . 1]" 1
230 1 23 TYR QD 1 55 CYS QB 1.800 . 7.640 2.653 2.462 2.896 . 0 0 "[ . 1]" 1
231 1 23 TYR QE 1 24 ASN H 1.800 . 7.630 4.056 3.852 4.308 . 0 0 "[ . 1]" 1
232 1 23 TYR QE 1 25 ALA H 1.800 . 7.630 3.773 3.453 3.991 . 0 0 "[ . 1]" 1
233 1 23 TYR QE 1 25 ALA HA 1.800 . 4.590 2.087 1.934 2.231 . 0 0 "[ . 1]" 1
234 1 23 TYR QE 1 28 GLY HA3 1.800 . 7.630 4.233 4.024 4.524 . 0 0 "[ . 1]" 1
235 1 23 TYR QE 1 29 LEU HA 1.800 . 6.700 3.291 3.022 3.570 . 0 0 "[ . 1]" 1
236 1 23 TYR QE 1 52 LEU MD2 1.800 . 7.420 3.716 3.267 4.088 . 0 0 "[ . 1]" 1
237 1 23 TYR QE 1 55 CYS QB 1.800 . 7.630 3.652 3.392 4.069 . 0 0 "[ . 1]" 1
238 1 23 TYR QE 1 58 ALA MB 1.800 . 8.660 5.664 4.674 6.411 . 0 0 "[ . 1]" 1
239 1 24 ASN H 1 24 ASN HB2 1.800 . 3.080 2.978 2.899 3.063 . 0 0 "[ . 1]" 1
240 1 24 ASN H 1 24 ASN HB3 1.800 . 2.770 2.558 2.480 2.606 . 0 0 "[ . 1]" 1
241 1 24 ASN H 1 29 LEU H 1.800 . 4.070 3.786 3.704 3.889 . 0 0 "[ . 1]" 1
242 1 24 ASN H 1 30 CYS HA 1.800 . 2.930 2.792 2.621 2.933 0.003 1 0 "[ . 1]" 1
243 1 24 ASN HA 1 24 ASN HB2 1.800 . 2.770 2.458 2.440 2.478 . 0 0 "[ . 1]" 1
244 1 24 ASN HA 1 25 ALA H 1.800 . 2.680 2.253 2.191 2.280 . 0 0 "[ . 1]" 1
245 1 24 ASN HA 1 26 LYS H 1.800 . 3.950 3.403 3.331 3.561 . 0 0 "[ . 1]" 1
246 1 24 ASN HB2 1 24 ASN HD21 1.800 . 3.020 2.214 2.175 2.268 . 0 0 "[ . 1]" 1
247 1 24 ASN HB2 1 27 ALA MB 1.800 . 5.850 3.433 3.143 3.753 . 0 0 "[ . 1]" 1
248 1 24 ASN HB2 1 29 LEU H 1.800 . 5.500 4.655 4.295 4.824 . 0 0 "[ . 1]" 1
249 1 24 ASN HB3 1 24 ASN HD22 1.800 . 3.700 3.761 3.736 3.787 0.087 2 0 "[ . 1]" 1
250 1 24 ASN HB3 1 27 ALA H 1.800 . 4.170 3.274 2.932 3.458 . 0 0 "[ . 1]" 1
251 1 24 ASN HB3 1 27 ALA MB 1.800 . 5.230 2.303 1.906 2.746 . 0 0 "[ . 1]" 1
252 1 24 ASN HB3 1 29 LEU H 1.800 . 4.110 2.953 2.631 3.094 . 0 0 "[ . 1]" 1
253 1 24 ASN HD21 1 27 ALA MB 1.800 . 5.440 2.897 2.441 3.121 . 0 0 "[ . 1]" 1
254 1 24 ASN HD22 1 27 ALA MB 1.800 . 5.470 2.666 2.168 2.957 . 0 0 "[ . 1]" 1
255 1 25 ALA H 1 25 ALA MB 1.800 . 4.020 2.145 2.052 2.223 . 0 0 "[ . 1]" 1
256 1 25 ALA H 1 26 LYS H 1.800 . 3.450 2.762 2.745 2.794 . 0 0 "[ . 1]" 1
257 1 25 ALA HA 1 26 LYS H 1.800 . 3.520 3.473 3.454 3.503 . 0 0 "[ . 1]" 1
258 1 25 ALA HA 1 28 GLY H 1.800 . 3.550 3.351 3.161 3.554 0.004 4 0 "[ . 1]" 1
259 1 25 ALA MB 1 26 LYS H 1.800 . 4.200 2.872 2.808 2.956 . 0 0 "[ . 1]" 1
260 1 26 LYS H 1 26 LYS HA 1.800 . 2.990 2.893 2.876 2.916 . 0 0 "[ . 1]" 1
261 1 26 LYS H 1 26 LYS QG 1.800 . 5.280 3.468 2.084 3.987 . 0 0 "[ . 1]" 1
262 1 26 LYS H 1 27 ALA H 1.800 . 2.900 2.534 2.423 2.616 . 0 0 "[ . 1]" 1
263 1 26 LYS H 1 27 ALA MB 1.800 . 6.310 4.103 4.012 4.199 . 0 0 "[ . 1]" 1
264 1 26 LYS HA 1 26 LYS QG 1.800 . 5.130 2.193 2.009 2.653 . 0 0 "[ . 1]" 1
265 1 26 LYS HA 1 26 LYS QD 1.800 . 6.380 3.458 2.276 4.155 . 0 0 "[ . 1]" 1
266 1 26 LYS HA 1 27 ALA H 1.800 . 3.640 3.318 3.265 3.409 . 0 0 "[ . 1]" 1
267 1 26 LYS QB 1 27 ALA H 1.800 . 4.330 3.393 3.216 3.478 . 0 0 "[ . 1]" 1
268 1 27 ALA H 1 27 ALA HA 1.800 . 3.080 2.937 2.931 2.950 . 0 0 "[ . 1]" 1
269 1 27 ALA H 1 27 ALA MB 1.800 . 3.520 2.568 2.335 2.635 . 0 0 "[ . 1]" 1
270 1 27 ALA H 1 28 GLY H 1.800 . 2.650 1.855 1.821 1.987 . 0 0 "[ . 1]" 1
271 1 27 ALA H 1 28 GLY HA3 1.800 . 4.600 4.527 4.494 4.656 0.056 8 0 "[ . 1]" 1
272 1 27 ALA H 1 28 GLY HA2 1.800 . 5.160 4.095 4.061 4.250 . 0 0 "[ . 1]" 1
273 1 27 ALA MB 1 28 GLY H 1.800 . 4.730 3.294 3.127 3.377 . 0 0 "[ . 1]" 1
274 1 27 ALA MB 1 29 LEU H 1.800 . 4.230 2.562 2.414 2.679 . 0 0 "[ . 1]" 1
275 1 27 ALA MB 1 29 LEU MD1 1.800 . 6.220 4.036 3.566 4.313 . 0 0 "[ . 1]" 1
276 1 27 ALA MB 1 29 LEU MD2 1.800 . 7.560 4.921 4.633 5.221 . 0 0 "[ . 1]" 1
277 1 28 GLY H 1 28 GLY HA3 1.800 . 2.620 2.787 2.774 2.809 0.189 8 0 "[ . 1]" 1
278 1 28 GLY H 1 28 GLY HA2 1.800 . 3.020 2.274 2.271 2.280 . 0 0 "[ . 1]" 1
279 1 28 GLY H 1 29 LEU H 1.800 . 2.930 2.884 2.773 2.929 . 0 0 "[ . 1]" 1
280 1 28 GLY HA3 1 29 LEU H 1.800 . 3.140 3.228 3.205 3.246 0.106 3 0 "[ . 1]" 1
281 1 28 GLY HA2 1 29 LEU H 1.800 . 3.610 3.349 3.325 3.378 . 0 0 "[ . 1]" 1
282 1 29 LEU H 1 29 LEU QB 1.800 . 3.240 2.421 2.363 2.475 . 0 0 "[ . 1]" 1
283 1 29 LEU H 1 29 LEU MD1 1.800 . 5.940 3.395 2.943 3.714 . 0 0 "[ . 1]" 1
284 1 29 LEU H 1 29 LEU MD2 1.800 . 5.810 4.632 4.531 4.695 . 0 0 "[ . 1]" 1
285 1 29 LEU HA 1 29 LEU MD1 1.800 . 6.530 3.060 2.460 3.529 . 0 0 "[ . 1]" 1
286 1 29 LEU HA 1 29 LEU MD2 1.800 . 5.160 3.412 2.943 3.708 . 0 0 "[ . 1]" 1
287 1 29 LEU HA 1 30 CYS H 1.800 . 2.550 2.519 2.471 2.558 0.008 8 0 "[ . 1]" 1
288 1 29 LEU QB 1 29 LEU MD1 1.800 . 3.490 2.090 1.959 2.219 . 0 0 "[ . 1]" 1
289 1 29 LEU QB 1 29 LEU MD2 1.800 . 3.990 2.043 1.914 2.105 . 0 0 "[ . 1]" 1
290 1 29 LEU HG 1 52 LEU MD2 1.800 . 3.830 2.717 2.400 3.163 . 0 0 "[ . 1]" 1
291 1 29 LEU MD1 1 30 CYS H 1.800 . 6.530 4.389 4.131 4.569 . 0 0 "[ . 1]" 1
292 1 29 LEU MD2 1 30 CYS H 1.800 . 6.530 3.017 2.406 3.473 . 0 0 "[ . 1]" 1
293 1 30 CYS H 1 30 CYS HB2 1.800 . 2.960 2.854 2.709 2.931 . 0 0 "[ . 1]" 1
294 1 30 CYS H 1 52 LEU MD2 1.800 . 5.970 2.693 2.435 3.013 . 0 0 "[ . 1]" 1
295 1 30 CYS HA 1 30 CYS HB2 1.800 . 3.050 2.985 2.968 3.010 . 0 0 "[ . 1]" 1
296 1 30 CYS HA 1 31 GLN H 1.800 . 2.680 2.443 2.369 2.537 . 0 0 "[ . 1]" 1
297 1 30 CYS HB2 1 31 GLN H 1.800 . 2.960 3.050 3.031 3.082 0.122 9 0 "[ . 1]" 1
298 1 30 CYS HB2 1 48 ALA HA 1.800 . 4.010 3.468 3.138 3.757 . 0 0 "[ . 1]" 1
299 1 30 CYS HB2 1 51 CYS HB3 1.800 . 3.760 3.496 3.338 3.642 . 0 0 "[ . 1]" 1
300 1 30 CYS HB3 1 48 ALA MB 1.800 . 6.530 4.235 3.868 4.599 . 0 0 "[ . 1]" 1
301 1 30 CYS HB3 1 52 LEU MD2 1.800 . 6.530 4.580 4.248 4.849 . 0 0 "[ . 1]" 1
302 1 31 GLN H 1 31 GLN QB 1.800 . 3.610 2.731 2.656 2.773 . 0 0 "[ . 1]" 1
303 1 31 GLN HA 1 32 THR H 1.800 . 3.580 2.277 2.192 2.379 . 0 0 "[ . 1]" 1
304 1 32 THR H 1 32 THR HB 1.800 . 3.140 2.461 2.172 3.162 0.022 10 0 "[ . 1]" 1
305 1 32 THR H 1 32 THR MG 1.800 . 3.920 2.608 2.221 3.367 . 0 0 "[ . 1]" 1
306 1 32 THR HA 1 32 THR MG 1.800 . 5.040 3.083 2.178 3.221 . 0 0 "[ . 1]" 1
307 1 32 THR HA 1 33 PHE H 1.800 . 3.240 2.291 2.153 2.883 . 0 0 "[ . 1]" 1
308 1 32 THR HB 1 33 PHE H 1.800 . 4.480 4.166 3.512 4.532 0.052 1 0 "[ . 1]" 1
309 1 32 THR MG 1 34 ALA MB 1.800 . 7.090 3.931 2.944 4.970 . 0 0 "[ . 1]" 1
310 1 33 PHE H 1 33 PHE HB2 1.800 . 4.230 2.482 2.206 3.521 . 0 0 "[ . 1]" 1
311 1 33 PHE HA 1 33 PHE HB3 1.800 . 2.740 2.564 2.446 2.659 . 0 0 "[ . 1]" 1
312 1 33 PHE HA 1 33 PHE QD 1.800 . 6.010 2.887 2.628 3.039 . 0 0 "[ . 1]" 1
313 1 33 PHE HA 1 34 ALA H 1.800 . 2.550 2.240 2.126 2.479 . 0 0 "[ . 1]" 1
314 1 33 PHE HA 1 37 ALA MB 1.800 . 5.470 3.011 2.480 3.692 . 0 0 "[ . 1]" 1
315 1 33 PHE HB2 1 34 ALA H 1.800 . 4.970 4.193 3.605 4.533 . 0 0 "[ . 1]" 1
316 1 33 PHE HB2 1 37 ALA MB 1.800 . 5.940 4.167 3.390 4.967 . 0 0 "[ . 1]" 1
317 1 33 PHE HB3 1 34 ALA H 1.800 . 3.830 3.213 2.393 3.866 0.036 9 0 "[ . 1]" 1
318 1 33 PHE HB3 1 37 ALA MB 1.800 . 4.260 2.692 1.797 3.442 0.003 5 0 "[ . 1]" 1
319 1 33 PHE QD 1 34 ALA H 1.800 . 7.620 3.903 3.364 4.608 . 0 0 "[ . 1]" 1
320 1 33 PHE QD 1 37 ALA MB 1.800 . 6.790 2.284 1.813 3.135 . 0 0 "[ . 1]" 1
321 1 33 PHE QD 1 39 ALA MB 1.800 . 8.650 4.480 4.017 4.777 . 0 0 "[ . 1]" 1
322 1 33 PHE QE 1 37 ALA MB 1.800 . 8.650 3.886 3.090 4.764 . 0 0 "[ . 1]" 1
323 1 33 PHE QE 1 39 ALA HA 1.800 . 6.320 2.534 2.095 3.100 . 0 0 "[ . 1]" 1
324 1 33 PHE QE 1 39 ALA MB 1.800 . 7.160 3.690 3.135 4.022 . 0 0 "[ . 1]" 1
325 1 33 PHE QE 1 45 PHE H 1.800 . 7.620 3.868 3.430 4.231 . 0 0 "[ . 1]" 1
326 1 33 PHE HZ 1 39 ALA HA 1.800 . 5.500 2.876 2.323 3.637 . 0 0 "[ . 1]" 1
327 1 33 PHE HZ 1 39 ALA MB 1.800 . 4.880 3.647 2.343 4.079 . 0 0 "[ . 1]" 1
328 1 33 PHE HZ 1 44 ASN HA 1.800 . 3.300 3.150 2.530 3.308 0.008 7 0 "[ . 1]" 1
329 1 33 PHE HZ 1 44 ASN QB 1.800 . 5.500 3.191 2.095 3.781 . 0 0 "[ . 1]" 1
330 1 33 PHE HZ 1 45 PHE H 1.800 . 5.500 4.875 3.954 5.249 . 0 0 "[ . 1]" 1
331 1 34 ALA H 1 34 ALA MB 1.800 . 4.170 2.424 2.103 2.844 . 0 0 "[ . 1]" 1
332 1 34 ALA H 1 37 ALA MB 1.800 . 4.510 2.402 1.783 3.408 0.017 10 0 "[ . 1]" 1
333 1 35 TYR HA 1 35 TYR QB 1.800 . 2.770 2.416 2.176 2.527 . 0 0 "[ . 1]" 1
334 1 35 TYR HA 1 35 TYR QD 1.800 . 6.150 3.065 2.209 3.732 . 0 0 "[ . 1]" 1
335 1 35 TYR HA 1 36 GLY H 1.800 . 2.430 2.371 2.122 2.686 0.256 1 0 "[ . 1]" 1
336 1 35 TYR QD 1 36 GLY H 1.800 . 7.640 3.406 1.831 4.495 . 0 0 "[ . 1]" 1
337 1 36 GLY H 1 36 GLY HA3 1.800 . 2.430 2.620 2.296 2.770 0.340 7 0 "[ . 1]" 1
338 1 36 GLY H 1 36 GLY HA2 1.800 . 2.900 2.471 2.245 2.856 . 0 0 "[ . 1]" 1
339 1 36 GLY H 1 37 ALA H 1.800 . 3.270 2.821 1.880 3.277 0.007 9 0 "[ . 1]" 1
340 1 36 GLY HA3 1 37 ALA H 1.800 . 3.640 3.322 2.859 3.558 . 0 0 "[ . 1]" 1
341 1 36 GLY HA2 1 37 ALA H 1.800 . 4.420 3.220 2.868 3.513 . 0 0 "[ . 1]" 1
342 1 37 ALA H 1 37 ALA MB 1.800 . 3.950 2.244 2.056 2.802 . 0 0 "[ . 1]" 1
343 1 37 ALA HA 1 38 CYS H 1.800 . 2.650 2.240 2.134 2.625 . 0 0 "[ . 1]" 1
344 1 37 ALA MB 1 38 CYS H 1.800 . 5.720 3.059 2.274 3.570 . 0 0 "[ . 1]" 1
345 1 38 CYS HA 1 39 ALA H 1.800 . 2.490 2.350 2.214 2.517 0.027 4 0 "[ . 1]" 1
346 1 38 CYS QB 1 39 ALA H 1.800 . 3.110 2.676 2.134 2.816 . 0 0 "[ . 1]" 1
347 1 39 ALA H 1 39 ALA MB 1.800 . 4.200 2.154 2.047 2.245 . 0 0 "[ . 1]" 1
348 1 39 ALA HA 1 40 ALA H 1.800 . 2.710 2.226 2.099 2.541 . 0 0 "[ . 1]" 1
349 1 39 ALA MB 1 40 ALA H 1.800 . 4.980 2.866 2.144 3.264 . 0 0 "[ . 1]" 1
350 1 39 ALA MB 1 44 ASN QB 1.800 . 6.310 3.012 1.842 4.228 . 0 0 "[ . 1]" 1
351 1 39 ALA MB 1 44 ASN QD 1.800 . 6.250 3.518 1.899 4.641 . 0 0 "[ . 1]" 1
352 1 40 ALA H 1 40 ALA MB 1.800 . 4.080 2.217 2.048 2.424 . 0 0 "[ . 1]" 1
353 1 40 ALA HA 1 41 LYS H 1.800 . 2.740 2.459 2.228 2.826 0.086 6 0 "[ . 1]" 1
354 1 40 ALA MB 1 41 LYS H 1.800 . 4.950 2.583 1.956 3.633 . 0 0 "[ . 1]" 1
355 1 40 ALA MB 1 43 ASN H 1.800 . 6.530 2.749 2.346 3.352 . 0 0 "[ . 1]" 1
356 1 40 ALA MB 1 43 ASN HB2 1.800 . 6.530 3.066 2.445 5.082 . 0 0 "[ . 1]" 1
357 1 40 ALA MB 1 43 ASN HB3 1.800 . 6.530 2.592 2.018 3.873 . 0 0 "[ . 1]" 1
358 1 41 LYS H 1 41 LYS QB 1.800 . 3.420 2.163 2.029 3.126 . 0 0 "[ . 1]" 1
359 1 41 LYS HA 1 42 ARG QG 1.800 . 6.130 4.966 4.498 5.439 . 0 0 "[ . 1]" 1
360 1 41 LYS QB 1 42 ARG H 1.800 . 3.140 2.077 1.792 2.827 0.008 8 0 "[ . 1]" 1
361 1 42 ARG H 1 42 ARG HA 1.800 . 2.830 2.891 2.879 2.905 0.075 8 0 "[ . 1]" 1
362 1 42 ARG H 1 42 ARG QG 1.800 . 5.380 2.610 1.934 3.510 . 0 0 "[ . 1]" 1
363 1 42 ARG H 1 43 ASN H 1.800 . 3.140 2.435 2.258 3.061 . 0 0 "[ . 1]" 1
364 1 42 ARG HA 1 42 ARG QG 1.800 . 6.380 2.716 2.099 3.364 . 0 0 "[ . 1]" 1
365 1 42 ARG QB 1 42 ARG HE 1.800 . 5.500 3.325 2.042 4.223 . 0 0 "[ . 1]" 1
366 1 42 ARG QB 1 43 ASN H 1.800 . 4.200 2.699 2.051 3.603 . 0 0 "[ . 1]" 1
367 1 42 ARG QB 1 42 ARG QD 1.800 . 3.950 2.245 1.921 2.682 . 0 0 "[ . 1]" 1
368 1 42 ARG QD 1 42 ARG QG 1.800 . 5.110 2.035 1.987 2.069 . 0 0 "[ . 1]" 1
369 1 43 ASN H 1 43 ASN HA 1.800 . 3.080 2.848 2.834 2.883 . 0 0 "[ . 1]" 1
370 1 43 ASN H 1 43 ASN HB2 1.800 . 3.240 2.300 2.043 3.260 0.020 9 0 "[ . 1]" 1
371 1 43 ASN H 1 43 ASN HB3 1.800 . 3.080 2.867 2.085 3.074 . 0 0 "[ . 1]" 1
372 1 43 ASN H 1 44 ASN H 1.800 . 4.690 3.989 3.777 4.462 . 0 0 "[ . 1]" 1
373 1 43 ASN HA 1 43 ASN HB2 1.800 . 2.800 2.673 2.232 2.788 . 0 0 "[ . 1]" 1
374 1 43 ASN HA 1 44 ASN H 1.800 . 2.400 2.380 2.144 2.555 0.155 7 0 "[ . 1]" 1
375 1 43 ASN HA 1 45 PHE QD 1.800 . 7.620 4.358 4.077 4.827 . 0 0 "[ . 1]" 1
376 1 44 ASN H 1 44 ASN QB 1.800 . 3.610 3.081 2.748 3.242 . 0 0 "[ . 1]" 1
377 1 44 ASN H 1 45 PHE H 1.800 . 5.500 3.688 3.567 3.826 . 0 0 "[ . 1]" 1
378 1 44 ASN HA 1 44 ASN QD 1.800 . 5.500 3.922 3.206 4.366 . 0 0 "[ . 1]" 1
379 1 44 ASN HA 1 45 PHE H 1.800 . 2.460 2.223 2.148 2.267 . 0 0 "[ . 1]" 1
380 1 44 ASN HA 1 45 PHE QD 1.800 . 5.450 3.955 3.547 4.234 . 0 0 "[ . 1]" 1
381 1 45 PHE H 1 45 PHE HB3 1.800 . 3.640 3.666 3.650 3.685 0.045 7 0 "[ . 1]" 1
382 1 45 PHE H 1 45 PHE QD 1.800 . 5.640 2.648 2.385 2.875 . 0 0 "[ . 1]" 1
383 1 45 PHE H 1 51 CYS H 1.800 . 5.500 5.585 5.543 5.603 0.103 2 0 "[ . 1]" 1
384 1 45 PHE HA 1 45 PHE HB3 1.800 . 2.520 2.500 2.452 2.540 0.020 7 0 "[ . 1]" 1
385 1 45 PHE HA 1 45 PHE QD 1.800 . 6.380 2.899 2.721 3.071 . 0 0 "[ . 1]" 1
386 1 45 PHE HA 1 46 LYS H 1.800 . 2.650 2.199 2.154 2.265 . 0 0 "[ . 1]" 1
387 1 45 PHE HA 1 47 SER H 1.800 . 3.890 3.738 3.572 3.843 . 0 0 "[ . 1]" 1
388 1 45 PHE HB2 1 46 LYS H 1.800 . 4.200 4.133 4.077 4.195 . 0 0 "[ . 1]" 1
389 1 45 PHE HB2 1 47 SER H 1.800 . 3.360 3.368 3.305 3.397 0.037 6 0 "[ . 1]" 1
390 1 45 PHE HB3 1 46 LYS H 1.800 . 3.550 3.108 2.944 3.271 . 0 0 "[ . 1]" 1
391 1 45 PHE HB3 1 47 SER H 1.800 . 3.020 2.517 2.428 2.672 . 0 0 "[ . 1]" 1
392 1 45 PHE HB3 1 51 CYS H 1.800 . 4.630 2.847 2.672 3.012 . 0 0 "[ . 1]" 1
393 1 45 PHE QD 1 46 LYS H 1.800 . 7.620 3.979 3.723 4.249 . 0 0 "[ . 1]" 1
394 1 45 PHE QD 1 51 CYS HA 1.800 . 7.620 2.871 2.793 2.953 . 0 0 "[ . 1]" 1
395 1 45 PHE QD 1 51 CYS HB3 1.800 . 7.620 3.965 3.737 4.197 . 0 0 "[ . 1]" 1
396 1 45 PHE QE 1 54 THR MG 1.800 . 8.090 2.503 2.000 2.856 . 0 0 "[ . 1]" 1
397 1 45 PHE HZ 1 51 CYS HA 1.800 . 5.500 3.824 3.658 3.971 . 0 0 "[ . 1]" 1
398 1 45 PHE HZ 1 54 THR HB 1.800 . 4.110 2.566 2.099 2.898 . 0 0 "[ . 1]" 1
399 1 45 PHE HZ 1 54 THR MG 1.800 . 4.170 2.478 1.989 3.025 . 0 0 "[ . 1]" 1
400 1 46 LYS H 1 46 LYS QG 1.800 . 4.820 3.013 2.036 3.970 . 0 0 "[ . 1]" 1
401 1 46 LYS H 1 47 SER H 1.800 . 3.050 2.695 2.650 2.739 . 0 0 "[ . 1]" 1
402 1 46 LYS HA 1 46 LYS QG 1.800 . 4.450 2.569 2.065 3.399 . 0 0 "[ . 1]" 1
403 1 46 LYS HA 1 47 SER H 1.800 . 4.820 3.399 3.380 3.424 . 0 0 "[ . 1]" 1
404 1 46 LYS QB 1 47 SER H 1.800 . 4.980 3.341 3.103 3.752 . 0 0 "[ . 1]" 1
405 1 47 SER H 1 47 SER HB3 1.800 . 4.170 3.816 3.747 3.879 . 0 0 "[ . 1]" 1
406 1 47 SER H 1 48 ALA HA 1.800 . 4.790 4.804 4.773 4.825 0.035 9 0 "[ . 1]" 1
407 1 47 SER H 1 50 ASP H 1.800 . 5.130 3.795 3.594 4.044 . 0 0 "[ . 1]" 1
408 1 47 SER HA 1 47 SER HB2 1.800 . 2.860 2.777 2.775 2.780 . 0 0 "[ . 1]" 1
409 1 47 SER HA 1 48 ALA H 1.800 . 2.830 2.254 2.191 2.322 . 0 0 "[ . 1]" 1
410 1 47 SER HA 1 48 ALA MB 1.800 . 6.530 4.033 4.000 4.085 . 0 0 "[ . 1]" 1
411 1 47 SER HA 1 49 GLU H 1.800 . 4.200 4.082 3.970 4.133 . 0 0 "[ . 1]" 1
412 1 47 SER HB2 1 48 ALA MB 1.800 . 6.530 4.278 4.146 4.400 . 0 0 "[ . 1]" 1
413 1 47 SER HB2 1 49 GLU H 1.800 . 2.960 2.493 2.383 2.653 . 0 0 "[ . 1]" 1
414 1 47 SER HB2 1 50 ASP H 1.800 . 4.540 2.399 2.334 2.487 . 0 0 "[ . 1]" 1
415 1 47 SER HB2 1 51 CYS H 1.800 . 5.500 4.541 4.450 4.656 . 0 0 "[ . 1]" 1
416 1 47 SER HB3 1 48 ALA H 1.800 . 3.390 3.424 3.360 3.473 0.083 9 0 "[ . 1]" 1
417 1 47 SER HB3 1 50 ASP H 1.800 . 4.010 4.071 4.049 4.094 0.084 8 0 "[ . 1]" 1
418 1 48 ALA H 1 48 ALA MB 1.800 . 3.860 2.074 2.050 2.127 . 0 0 "[ . 1]" 1
419 1 48 ALA HA 1 49 GLU H 1.800 . 3.670 3.517 3.503 3.525 . 0 0 "[ . 1]" 1
420 1 48 ALA HA 1 50 ASP H 1.800 . 4.110 4.086 4.027 4.132 0.022 7 0 "[ . 1]" 1
421 1 48 ALA HA 1 51 CYS H 1.800 . 2.900 3.029 3.012 3.048 0.148 8 0 "[ . 1]" 1
422 1 48 ALA HA 1 52 LEU H 1.800 . 5.000 3.673 3.533 3.772 . 0 0 "[ . 1]" 1
423 1 48 ALA MB 1 49 GLU H 1.800 . 4.480 2.755 2.724 2.819 . 0 0 "[ . 1]" 1
424 1 48 ALA MB 1 49 GLU HA 1.800 . 6.530 3.775 3.720 3.811 . 0 0 "[ . 1]" 1
425 1 49 GLU H 1 49 GLU HA 1.800 . 2.800 2.810 2.803 2.817 0.017 2 0 "[ . 1]" 1
426 1 49 GLU H 1 49 GLU QB 1.800 . 2.620 2.190 2.066 2.332 . 0 0 "[ . 1]" 1
427 1 49 GLU H 1 50 ASP H 1.800 . 3.270 2.555 2.521 2.593 . 0 0 "[ . 1]" 1
428 1 49 GLU HA 1 49 GLU QG 1.800 . 5.380 2.328 2.101 2.539 . 0 0 "[ . 1]" 1
429 1 49 GLU HA 1 50 ASP H 1.800 . 3.860 3.508 3.503 3.518 . 0 0 "[ . 1]" 1
430 1 49 GLU HA 1 52 LEU H 1.800 . 3.950 3.756 3.669 3.860 . 0 0 "[ . 1]" 1
431 1 49 GLU HA 1 52 LEU QB 1.800 . 3.080 2.735 2.615 2.757 . 0 0 "[ . 1]" 1
432 1 49 GLU HA 1 52 LEU MD1 1.800 . 5.230 3.065 2.810 3.518 . 0 0 "[ . 1]" 1
433 1 49 GLU HA 1 52 LEU MD2 1.800 . 6.530 5.124 4.975 5.292 . 0 0 "[ . 1]" 1
434 1 49 GLU QB 1 49 GLU QG 1.800 . 3.080 2.050 1.980 2.084 . 0 0 "[ . 1]" 1
435 1 49 GLU QB 1 50 ASP H 1.800 . 3.890 2.650 2.587 2.713 . 0 0 "[ . 1]" 1
436 1 50 ASP H 1 50 ASP QB 1.800 . 3.050 2.079 2.060 2.111 . 0 0 "[ . 1]" 1
437 1 50 ASP H 1 51 CYS H 1.800 . 3.360 2.669 2.624 2.714 . 0 0 "[ . 1]" 1
438 1 50 ASP HA 1 51 CYS H 1.800 . 4.200 3.585 3.568 3.600 . 0 0 "[ . 1]" 1
439 1 51 CYS H 1 51 CYS HA 1.800 . 2.930 2.821 2.812 2.831 . 0 0 "[ . 1]" 1
440 1 51 CYS H 1 51 CYS HB3 1.800 . 2.710 2.290 2.208 2.382 . 0 0 "[ . 1]" 1
441 1 51 CYS H 1 52 LEU H 1.800 . 3.240 2.790 2.693 2.813 . 0 0 "[ . 1]" 1
442 1 51 CYS H 1 52 LEU HG 1.800 . 4.850 4.757 4.543 4.881 0.031 10 0 "[ . 1]" 1
443 1 51 CYS HA 1 52 LEU H 1.800 . 5.160 3.561 3.529 3.574 . 0 0 "[ . 1]" 1
444 1 51 CYS HA 1 54 THR H 1.800 . 3.980 3.710 3.494 3.826 . 0 0 "[ . 1]" 1
445 1 51 CYS HA 1 55 CYS H 1.800 . 3.240 3.260 3.204 3.308 0.068 8 0 "[ . 1]" 1
446 1 51 CYS HB3 1 52 LEU H 1.800 . 2.990 2.399 2.292 2.505 . 0 0 "[ . 1]" 1
447 1 52 LEU H 1 52 LEU QB 1.800 . 3.110 2.377 2.232 2.473 . 0 0 "[ . 1]" 1
448 1 52 LEU H 1 52 LEU HG 1.800 . 2.590 2.357 2.189 2.538 . 0 0 "[ . 1]" 1
449 1 52 LEU H 1 52 LEU MD1 1.800 . 6.530 3.666 3.579 3.760 . 0 0 "[ . 1]" 1
450 1 52 LEU H 1 52 LEU MD2 1.800 . 6.530 3.343 3.190 3.508 . 0 0 "[ . 1]" 1
451 1 52 LEU H 1 53 ARG H 1.800 . 2.930 2.842 2.773 2.933 0.003 8 0 "[ . 1]" 1
452 1 52 LEU HA 1 52 LEU MD1 1.800 . 5.100 3.814 3.769 3.849 . 0 0 "[ . 1]" 1
453 1 52 LEU HA 1 52 LEU MD2 1.800 . 4.480 1.976 1.905 2.196 . 0 0 "[ . 1]" 1
454 1 52 LEU HA 1 53 ARG H 1.800 . 4.940 3.556 3.539 3.573 . 0 0 "[ . 1]" 1
455 1 52 LEU HA 1 56 GLY H 1.800 . 3.050 2.277 2.146 2.349 . 0 0 "[ . 1]" 1
456 1 52 LEU QB 1 52 LEU MD1 1.800 . 4.510 2.080 2.051 2.101 . 0 0 "[ . 1]" 1
457 1 52 LEU QB 1 52 LEU MD2 1.800 . 4.020 2.305 2.185 2.353 . 0 0 "[ . 1]" 1
458 1 52 LEU QB 1 53 ARG H 1.800 . 3.640 2.540 2.370 2.629 . 0 0 "[ . 1]" 1
459 1 52 LEU MD1 1 53 ARG H 1.800 . 6.530 4.547 4.295 4.638 . 0 0 "[ . 1]" 1
460 1 52 LEU MD1 1 56 GLY QA 1.800 . 6.090 4.481 4.313 4.532 . 0 0 "[ . 1]" 1
461 1 52 LEU MD2 1 53 ARG H 1.800 . 6.530 4.634 4.602 4.682 . 0 0 "[ . 1]" 1
462 1 52 LEU MD2 1 56 GLY H 1.800 . 6.530 3.673 3.511 3.885 . 0 0 "[ . 1]" 1
463 1 52 LEU MD2 1 56 GLY QA 1.800 . 6.530 2.605 2.252 2.852 . 0 0 "[ . 1]" 1
464 1 53 ARG H 1 53 ARG HA 1.800 . 2.830 2.796 2.790 2.804 . 0 0 "[ . 1]" 1
465 1 53 ARG H 1 53 ARG QG 1.800 . 4.380 3.533 2.727 3.935 . 0 0 "[ . 1]" 1
466 1 53 ARG H 1 53 ARG QD 1.800 . 6.380 4.334 3.246 4.856 . 0 0 "[ . 1]" 1
467 1 53 ARG H 1 54 THR H 1.800 . 3.240 2.804 2.701 2.852 . 0 0 "[ . 1]" 1
468 1 53 ARG HA 1 53 ARG QG 1.800 . 3.860 2.219 2.029 2.400 . 0 0 "[ . 1]" 1
469 1 53 ARG HA 1 53 ARG QD 1.800 . 6.380 3.304 2.376 4.204 . 0 0 "[ . 1]" 1
470 1 53 ARG QB 1 54 THR H 1.800 . 3.730 2.451 2.273 2.740 . 0 0 "[ . 1]" 1
471 1 53 ARG QD 1 53 ARG QG 1.800 . 5.450 2.033 1.971 2.080 . 0 0 "[ . 1]" 1
472 1 54 THR H 1 54 THR HA 1.800 . 3.110 2.874 2.868 2.881 . 0 0 "[ . 1]" 1
473 1 54 THR H 1 54 THR HB 1.800 . 2.710 2.611 2.521 2.724 0.014 10 0 "[ . 1]" 1
474 1 54 THR H 1 55 CYS H 1.800 . 2.860 2.703 2.640 2.872 0.012 8 0 "[ . 1]" 1
475 1 54 THR H 1 56 GLY H 1.800 . 3.890 3.817 3.499 3.920 0.030 10 0 "[ . 1]" 1
476 1 54 THR HA 1 54 THR MG 1.800 . 4.050 2.298 2.177 2.431 . 0 0 "[ . 1]" 1
477 1 54 THR HB 1 55 CYS H 1.800 . 3.210 2.157 1.980 2.362 . 0 0 "[ . 1]" 1
478 1 55 CYS H 1 55 CYS HA 1.800 . 2.830 2.856 2.823 2.904 0.074 8 0 "[ . 1]" 1
479 1 55 CYS H 1 55 CYS QB 1.800 . 3.140 2.260 2.077 2.585 . 0 0 "[ . 1]" 1
480 1 55 CYS HA 1 56 GLY H 1.800 . 5.220 3.535 3.459 3.562 . 0 0 "[ . 1]" 1
481 1 56 GLY H 1 56 GLY QA 1.800 . 2.740 2.210 2.193 2.241 . 0 0 "[ . 1]" 1
482 1 56 GLY QA 1 57 GLY H 1.800 . 2.770 2.254 2.122 2.472 . 0 0 "[ . 1]" 1
483 1 57 GLY QA 1 58 ALA H 1.800 . 4.330 2.423 2.109 2.832 . 0 0 "[ . 1]" 1
484 1 58 ALA H 1 58 ALA MB 1.800 . 4.050 2.486 2.066 2.977 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 129
_Distance_constraint_stats_list.Viol_total 48.374
_Distance_constraint_stats_list.Viol_max 0.142
_Distance_constraint_stats_list.Viol_rms 0.0250
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0142
_Distance_constraint_stats_list.Viol_average_violations_only 0.0375
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 PRO 0.283 0.058 6 0 "[ . 1]"
1 3 ASP 0.252 0.037 2 0 "[ . 1]"
1 4 PHE 0.029 0.024 5 0 "[ . 1]"
1 5 CYS 0.283 0.058 6 0 "[ . 1]"
1 6 LEU 0.252 0.037 2 0 "[ . 1]"
1 7 GLU 0.029 0.024 5 0 "[ . 1]"
1 21 TYR 0.082 0.030 5 0 "[ . 1]"
1 22 PHE 0.286 0.078 6 0 "[ . 1]"
1 23 TYR 0.159 0.051 7 0 "[ . 1]"
1 24 ASN 1.401 0.065 4 0 "[ . 1]"
1 26 LYS 0.284 0.057 10 0 "[ . 1]"
1 27 ALA 0.572 0.064 10 0 "[ . 1]"
1 28 GLY 0.497 0.065 4 0 "[ . 1]"
1 29 LEU 0.048 0.017 10 0 "[ . 1]"
1 31 GLN 0.286 0.078 6 0 "[ . 1]"
1 34 ALA 0.489 0.142 4 0 "[ . 1]"
1 37 ALA 0.489 0.142 4 0 "[ . 1]"
1 43 ASN 0.159 0.051 7 0 "[ . 1]"
1 45 PHE 0.082 0.030 5 0 "[ . 1]"
1 47 SER 0.004 0.004 2 0 "[ . 1]"
1 48 ALA 0.196 0.041 8 0 "[ . 1]"
1 49 GLU 0.000 0.000 . 0 "[ . 1]"
1 50 ASP 0.071 0.029 3 0 "[ . 1]"
1 51 CYS 0.004 0.004 2 0 "[ . 1]"
1 52 LEU 1.782 0.112 8 0 "[ . 1]"
1 53 ARG 0.000 0.000 . 0 "[ . 1]"
1 54 THR 0.071 0.029 3 0 "[ . 1]"
1 56 GLY 1.585 0.112 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO O 1 5 CYS N 2.700 2.700 3.100 2.888 2.808 2.946 . 0 0 "[ . 1]" 2
2 1 2 PRO O 1 5 CYS H 1.800 . 2.100 2.116 1.978 2.158 0.058 6 0 "[ . 1]" 2
3 1 3 ASP O 1 6 LEU N 2.700 2.700 3.100 2.718 2.702 2.734 . 0 0 "[ . 1]" 2
4 1 3 ASP O 1 6 LEU H 1.800 . 2.100 1.775 1.763 1.790 0.037 2 0 "[ . 1]" 2
5 1 4 PHE O 1 7 GLU N 2.700 2.700 3.100 2.750 2.696 2.835 0.004 10 0 "[ . 1]" 2
6 1 4 PHE O 1 7 GLU H 1.800 . 2.100 1.841 1.776 1.934 0.024 5 0 "[ . 1]" 2
7 1 21 TYR N 1 45 PHE O 2.700 2.700 3.100 2.965 2.815 3.091 . 0 0 "[ . 1]" 2
8 1 21 TYR H 1 45 PHE O 1.800 . 2.100 2.054 1.953 2.130 0.030 5 0 "[ . 1]" 2
9 1 22 PHE N 1 31 GLN O 2.700 2.700 3.100 2.939 2.870 3.033 . 0 0 "[ . 1]" 2
10 1 22 PHE H 1 31 GLN O 1.800 . 2.100 2.127 2.094 2.178 0.078 6 0 "[ . 1]" 2
11 1 23 TYR N 1 43 ASN OD1 2.700 2.700 3.300 3.029 2.897 3.213 . 0 0 "[ . 1]" 2
12 1 23 TYR H 1 43 ASN OD1 1.800 . 2.300 2.264 2.071 2.351 0.051 7 0 "[ . 1]" 2
13 1 24 ASN N 1 29 LEU O 2.700 2.700 3.100 2.722 2.689 2.799 0.011 1 0 "[ . 1]" 2
14 1 24 ASN H 1 29 LEU O 1.800 . 2.100 1.898 1.783 1.948 0.017 10 0 "[ . 1]" 2
15 1 24 ASN OD1 1 26 LYS N 2.700 2.700 3.300 2.672 2.643 2.689 0.057 10 0 "[ . 1]" 2
16 1 24 ASN OD1 1 26 LYS H 1.800 . 2.300 2.109 1.948 2.206 . 0 0 "[ . 1]" 2
17 1 22 PHE O 1 31 GLN N 2.700 2.700 3.100 2.848 2.700 2.985 . 10 0 "[ . 1]" 2
18 1 22 PHE O 1 31 GLN H 1.800 . 2.100 1.994 1.863 2.105 0.005 9 0 "[ . 1]" 2
19 1 47 SER O 1 51 CYS N 2.700 2.700 3.100 2.826 2.717 2.944 . 0 0 "[ . 1]" 2
20 1 47 SER O 1 51 CYS H 1.800 . 2.100 1.905 1.796 2.025 0.004 2 0 "[ . 1]" 2
21 1 48 ALA O 1 52 LEU N 2.700 2.700 3.100 2.746 2.706 2.777 . 0 0 "[ . 1]" 2
22 1 48 ALA O 1 52 LEU H 1.800 . 2.100 1.780 1.759 1.800 0.041 8 0 "[ . 1]" 2
23 1 49 GLU O 1 53 ARG N 2.700 2.700 3.100 2.884 2.797 2.949 . 0 0 "[ . 1]" 2
24 1 49 GLU O 1 53 ARG H 1.800 . 2.100 1.985 1.930 2.047 . 0 0 "[ . 1]" 2
25 1 50 ASP O 1 54 THR N 2.700 2.700 3.100 3.051 2.931 3.110 0.010 3 0 "[ . 1]" 2
26 1 50 ASP O 1 54 THR H 1.800 . 2.100 2.099 2.083 2.129 0.029 3 0 "[ . 1]" 2
27 1 52 LEU O 1 56 GLY N 2.700 2.700 3.100 2.620 2.588 2.629 0.112 8 0 "[ . 1]" 2
28 1 52 LEU O 1 56 GLY H 1.800 . 2.100 2.178 2.161 2.207 0.107 8 0 "[ . 1]" 2
29 1 34 ALA O 1 37 ALA N 2.700 2.700 3.100 2.933 2.729 3.121 0.021 9 0 "[ . 1]" 2
30 1 34 ALA O 1 37 ALA H 1.800 . 2.100 2.096 1.868 2.242 0.142 4 0 "[ . 1]" 2
31 1 24 ASN OD1 1 27 ALA N 2.700 2.700 3.300 2.716 2.671 2.944 0.029 10 0 "[ . 1]" 2
32 1 24 ASN OD1 1 27 ALA H 1.800 . 2.300 2.345 2.323 2.364 0.064 10 0 "[ . 1]" 2
33 1 24 ASN O 1 28 GLY N 2.700 2.700 3.300 2.650 2.635 2.664 0.065 4 0 "[ . 1]" 2
34 1 24 ASN O 1 28 GLY H 1.800 . 2.300 1.975 1.851 2.050 . 0 0 "[ . 1]" 2
stop_
save_
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