NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
519262 |
2l43   |
17244 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l43
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 650
_Distance_constraint_stats_list.Viol_count 811
_Distance_constraint_stats_list.Viol_total 735.509
_Distance_constraint_stats_list.Viol_max 0.230
_Distance_constraint_stats_list.Viol_rms 0.0168
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0453
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.088 0.017 2 0 "[ . 1 . 2]"
1 2 ARG 0.489 0.045 11 0 "[ . 1 . 2]"
1 3 THR 0.798 0.047 17 0 "[ . 1 . 2]"
1 4 LYS 0.004 0.004 3 0 "[ . 1 . 2]"
1 5 GLN 0.017 0.017 10 0 "[ . 1 . 2]"
1 6 THR 0.031 0.012 19 0 "[ . 1 . 2]"
1 7 ALA 0.046 0.020 15 0 "[ . 1 . 2]"
1 8 ARG 0.040 0.040 20 0 "[ . 1 . 2]"
1 9 LYS 0.032 0.032 2 0 "[ . 1 . 2]"
1 10 SER 0.032 0.032 2 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.075 0.024 6 0 "[ . 1 . 2]"
1 27 VAL 0.049 0.024 6 0 "[ . 1 . 2]"
1 28 CYS 1.800 0.053 2 0 "[ . 1 . 2]"
1 29 SER 0.015 0.009 11 0 "[ . 1 . 2]"
1 30 ILE 3.296 0.080 11 0 "[ . 1 . 2]"
1 31 CYS 1.858 0.062 10 0 "[ . 1 . 2]"
1 32 MET 0.086 0.020 8 0 "[ . 1 . 2]"
1 33 ASP 0.043 0.014 20 0 "[ . 1 . 2]"
1 34 GLY 0.064 0.020 8 0 "[ . 1 . 2]"
1 35 GLU 0.051 0.019 7 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.068 0.044 17 0 "[ . 1 . 2]"
1 38 ASN 0.010 0.010 7 0 "[ . 1 . 2]"
1 39 SER 0.057 0.044 17 0 "[ . 1 . 2]"
1 40 ASN 0.077 0.020 15 0 "[ . 1 . 2]"
1 41 VAL 1.193 0.047 17 0 "[ . 1 . 2]"
1 42 ILE 0.901 0.045 19 0 "[ . 1 . 2]"
1 43 LEU 4.207 0.065 17 0 "[ . 1 . 2]"
1 44 PHE 2.751 0.065 17 0 "[ . 1 . 2]"
1 45 CYS 2.905 0.098 16 0 "[ . 1 . 2]"
1 46 ASP 0.130 0.022 13 0 "[ . 1 . 2]"
1 47 MET 4.485 0.226 10 0 "[ . 1 . 2]"
1 48 CYS 4.365 0.226 10 0 "[ . 1 . 2]"
1 49 ASN 1.958 0.098 16 0 "[ . 1 . 2]"
1 50 LEU 1.036 0.138 19 0 "[ . 1 . 2]"
1 51 ALA 1.433 0.077 12 0 "[ . 1 . 2]"
1 52 VAL 1.921 0.138 19 0 "[ . 1 . 2]"
1 53 HIS 0.791 0.053 2 0 "[ . 1 . 2]"
1 54 GLN 0.091 0.022 7 0 "[ . 1 . 2]"
1 55 GLU 4.164 0.230 12 0 "[ . 1 . 2]"
1 56 CYS 7.225 0.230 12 0 "[ . 1 . 2]"
1 57 TYR 1.727 0.094 20 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 VAL 0.185 0.017 2 0 "[ . 1 . 2]"
1 60 PRO 0.034 0.027 3 0 "[ . 1 . 2]"
1 61 TYR 0.566 0.052 10 0 "[ . 1 . 2]"
1 62 ILE 1.607 0.055 17 0 "[ . 1 . 2]"
1 63 PRO 0.011 0.006 10 0 "[ . 1 . 2]"
1 64 GLU 0.333 0.056 17 0 "[ . 1 . 2]"
1 65 GLY 0.361 0.056 17 0 "[ . 1 . 2]"
1 66 GLN 0.211 0.031 13 0 "[ . 1 . 2]"
1 67 TRP 0.520 0.032 11 0 "[ . 1 . 2]"
1 68 LEU 2.869 0.094 4 0 "[ . 1 . 2]"
1 69 CYS 0.304 0.032 11 0 "[ . 1 . 2]"
1 70 ARG 0.840 0.052 9 0 "[ . 1 . 2]"
1 71 HIS 3.219 0.181 10 0 "[ . 1 . 2]"
1 72 CYS 7.951 0.181 10 0 "[ . 1 . 2]"
1 73 LEU 0.035 0.034 10 0 "[ . 1 . 2]"
1 74 GLN 2.601 0.156 17 0 "[ . 1 . 2]"
1 75 SER 0.819 0.054 8 0 "[ . 1 . 2]"
1 76 ARG 0.033 0.018 10 0 "[ . 1 . 2]"
1 77 ALA 0.033 0.018 10 0 "[ . 1 . 2]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 66 GLN HA 4.000 . 4.000 3.887 3.161 4.017 0.017 2 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 43 LEU MD1 4.000 . 4.000 3.556 3.258 3.926 . 0 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 43 LEU MD2 4.000 . 4.000 2.565 2.471 2.721 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA MB 1 62 ILE MG 4.000 . 4.000 2.369 1.965 2.742 . 0 0 "[ . 1 . 2]" 1
5 1 1 ALA MB 1 63 PRO HD2 4.000 . 4.000 2.617 2.260 2.941 . 0 0 "[ . 1 . 2]" 1
6 1 1 ALA MB 1 63 PRO HB2 4.000 . 4.000 3.599 2.702 4.006 0.006 10 0 "[ . 1 . 2]" 1
7 1 1 ALA MB 1 67 TRP HB3 4.000 . 4.000 3.192 2.941 3.547 . 0 0 "[ . 1 . 2]" 1
8 1 1 ALA MB 1 67 TRP HB2 4.000 . 4.000 1.981 1.847 2.351 . 0 0 "[ . 1 . 2]" 1
9 1 2 ARG HA 1 3 THR HB 5.000 . 5.000 4.942 4.858 5.007 0.007 6 0 "[ . 1 . 2]" 1
10 1 3 THR HA 1 42 ILE MG 5.000 . 5.000 3.786 3.643 3.995 . 0 0 "[ . 1 . 2]" 1
11 1 3 THR HA 1 43 LEU HA 3.000 . 3.000 2.691 2.440 2.852 . 0 0 "[ . 1 . 2]" 1
12 1 3 THR HA 1 43 LEU MD2 3.000 . 3.000 2.186 1.918 2.646 . 0 0 "[ . 1 . 2]" 1
13 1 3 THR HB 1 41 VAL HB 4.000 . 4.000 4.005 3.875 4.047 0.047 17 0 "[ . 1 . 2]" 1
14 1 3 THR HB 1 41 VAL MG1 4.000 . 4.000 4.001 3.942 4.026 0.026 8 0 "[ . 1 . 2]" 1
15 1 3 THR MG 1 41 VAL MG1 4.000 . 4.000 2.543 2.343 2.782 . 0 0 "[ . 1 . 2]" 1
16 1 3 THR MG 1 43 LEU MD2 5.000 . 5.000 1.837 1.794 1.915 0.006 9 0 "[ . 1 . 2]" 1
17 1 3 THR MG 1 62 ILE MD 5.000 . 5.000 2.665 2.149 3.074 . 0 0 "[ . 1 . 2]" 1
18 1 3 THR MG 1 62 ILE MG 5.000 . 5.000 3.156 2.784 3.479 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS HB3 1 42 ILE MG 4.000 . 4.000 2.120 1.811 2.743 . 0 0 "[ . 1 . 2]" 1
20 1 4 LYS HB2 1 42 ILE MG 4.000 . 4.000 2.351 1.864 3.108 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLN HA 1 41 VAL HA 3.000 . 3.000 2.543 2.305 2.716 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLN HA 1 41 VAL HB 5.000 . 5.000 4.478 4.255 4.689 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLN HA 1 41 VAL MG1 3.000 . 3.000 2.738 2.323 2.989 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLN HB2 1 41 VAL MG1 . . 3.000 2.566 1.892 2.999 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLN QG 1 41 VAL MG1 4.000 . 4.000 2.418 1.953 3.285 . 0 0 "[ . 1 . 2]" 1
26 1 7 ALA HA 1 38 ASN HA 5.000 . 5.000 4.668 4.199 5.010 0.010 7 0 "[ . 1 . 2]" 1
27 1 7 ALA HA 1 39 SER HA 4.000 . 4.000 2.298 2.019 2.617 . 0 0 "[ . 1 . 2]" 1
28 1 7 ALA MB 1 38 ASN QB 5.000 . 5.000 4.007 3.461 4.763 . 0 0 "[ . 1 . 2]" 1
29 1 7 ALA MB 1 39 SER HA 4.000 . 4.000 3.277 2.264 3.661 . 0 0 "[ . 1 . 2]" 1
30 1 7 ALA MB 1 39 SER QB 4.000 . 4.000 2.748 1.896 3.983 . 0 0 "[ . 1 . 2]" 1
31 1 26 ALA HA 1 27 VAL MG1 5.000 . 5.000 3.657 3.417 3.878 . 0 0 "[ . 1 . 2]" 1
32 1 26 ALA HA 1 27 VAL MG2 5.000 . 5.000 3.646 3.490 3.862 . 0 0 "[ . 1 . 2]" 1
33 1 26 ALA HA 1 42 ILE MG 5.000 . 5.000 4.678 4.234 4.956 . 0 0 "[ . 1 . 2]" 1
34 1 26 ALA HA 1 42 ILE MD 5.000 . 5.000 4.549 4.059 4.890 . 0 0 "[ . 1 . 2]" 1
35 1 26 ALA HA 1 51 ALA MB 4.000 . 4.000 3.698 3.219 3.931 . 0 0 "[ . 1 . 2]" 1
36 1 26 ALA MB 1 42 ILE MG 3.000 . 3.000 2.284 1.841 2.725 . 0 0 "[ . 1 . 2]" 1
37 1 26 ALA MB 1 51 ALA MB 3.000 . 3.000 1.891 1.782 2.041 0.018 17 0 "[ . 1 . 2]" 1
38 1 26 ALA MB 1 27 VAL HA 5.000 . 5.000 3.959 3.878 4.009 . 0 0 "[ . 1 . 2]" 1
39 1 27 VAL HA 1 42 ILE MD 5.000 . 5.000 3.009 2.872 3.120 . 0 0 "[ . 1 . 2]" 1
40 1 26 ALA HA 1 27 VAL QG 6.000 . 6.000 3.248 3.161 3.348 . 0 0 "[ . 1 . 2]" 1
41 1 27 VAL MG2 1 51 ALA MB 4.000 . 4.000 3.048 2.800 3.337 . 0 0 "[ . 1 . 2]" 1
42 1 28 CYS HA 1 51 ALA MB . . 3.000 2.874 2.714 3.022 0.022 2 0 "[ . 1 . 2]" 1
43 1 28 CYS HA 1 52 VAL HA 3.000 . 3.000 2.531 2.453 2.593 . 0 0 "[ . 1 . 2]" 1
44 1 28 CYS HB3 1 42 ILE MD 3.000 . 3.000 3.037 3.030 3.045 0.045 19 0 "[ . 1 . 2]" 1
45 1 30 ILE HB 1 56 CYS HB3 3.000 . 3.000 2.085 2.042 2.129 . 0 0 "[ . 1 . 2]" 1
46 1 30 ILE MD 1 52 VAL HB 3.000 . 3.000 2.082 1.987 2.170 . 0 0 "[ . 1 . 2]" 1
47 1 30 ILE MD 1 56 CYS HB2 . . 4.000 3.518 3.419 3.660 . 0 0 "[ . 1 . 2]" 1
48 1 30 ILE MD 1 56 CYS HB3 3.000 . 3.000 2.176 1.984 2.357 . 0 0 "[ . 1 . 2]" 1
49 1 30 ILE MG 1 31 CYS HA 4.500 . 4.500 3.733 3.612 3.852 . 0 0 "[ . 1 . 2]" 1
50 1 30 ILE MG 1 56 CYS HA 3.000 . 3.000 2.798 2.711 2.880 . 0 0 "[ . 1 . 2]" 1
51 1 30 ILE MG 1 57 TYR HA 4.500 . 4.500 4.381 4.231 4.519 0.019 16 0 "[ . 1 . 2]" 1
52 1 30 ILE MG 1 31 CYS HB2 4.000 . 4.000 4.051 4.040 4.062 0.062 10 0 "[ . 1 . 2]" 1
53 1 41 VAL HB 1 43 LEU MD1 5.000 . 5.000 5.006 4.949 5.030 0.030 4 0 "[ . 1 . 2]" 1
54 1 41 VAL MG2 1 43 LEU MD1 4.000 . 4.000 4.017 4.000 4.026 0.026 16 0 "[ . 1 . 2]" 1
55 1 42 ILE HA 1 53 HIS HA 3.000 . 3.000 1.967 1.864 2.167 . 0 0 "[ . 1 . 2]" 1
56 1 42 ILE HB 1 53 HIS HA 5.000 . 5.000 4.321 4.218 4.515 . 0 0 "[ . 1 . 2]" 1
57 1 28 CYS HA 1 42 ILE MD 3.000 . 3.000 2.172 2.035 2.386 . 0 0 "[ . 1 . 2]" 1
58 1 42 ILE MD 1 51 ALA MB 3.000 . 3.000 2.577 2.155 2.909 . 0 0 "[ . 1 . 2]" 1
59 1 42 ILE MG 1 51 ALA HA 6.000 . 6.000 4.775 4.459 5.156 . 0 0 "[ . 1 . 2]" 1
60 1 42 ILE MG 1 51 ALA MB 4.000 . 4.000 3.700 3.331 3.991 . 0 0 "[ . 1 . 2]" 1
61 1 41 VAL MG2 1 43 LEU HA 6.000 . 6.000 5.938 5.838 6.006 0.006 7 0 "[ . 1 . 2]" 1
62 1 43 LEU MD1 1 52 VAL QG . . 4.000 3.521 3.210 3.853 . 0 0 "[ . 1 . 2]" 1
63 1 43 LEU MD1 1 54 GLN HA 4.000 . 4.000 2.225 1.975 2.575 . 0 0 "[ . 1 . 2]" 1
64 1 43 LEU MD1 1 59 VAL HB 5.000 . 5.000 3.382 3.042 3.568 . 0 0 "[ . 1 . 2]" 1
65 1 41 VAL HB 1 43 LEU MD2 6.000 . 6.000 3.843 3.738 3.980 . 0 0 "[ . 1 . 2]" 1
66 1 41 VAL MG2 1 43 LEU MD2 . . 4.000 3.959 3.879 4.010 0.010 18 0 "[ . 1 . 2]" 1
67 1 43 LEU HG 1 54 GLN QG 5.000 . 5.000 3.861 3.343 4.082 . 0 0 "[ . 1 . 2]" 1
68 1 44 PHE HA 1 45 CYS HA 5.000 . 5.000 4.344 4.336 4.356 . 0 0 "[ . 1 . 2]" 1
69 1 44 PHE HA 1 45 CYS HB3 5.000 . 5.000 4.975 4.914 5.006 0.006 7 0 "[ . 1 . 2]" 1
70 1 44 PHE HA 1 45 CYS HB2 5.000 . 5.000 4.442 4.407 4.510 . 0 0 "[ . 1 . 2]" 1
71 1 44 PHE HA 1 51 ALA HA 3.000 . 3.000 2.548 2.474 2.632 . 0 0 "[ . 1 . 2]" 1
72 1 44 PHE HA 1 51 ALA MB 4.000 . 4.000 3.423 3.253 3.536 . 0 0 "[ . 1 . 2]" 1
73 1 44 PHE HA 1 67 TRP HE3 4.000 . 4.000 3.998 3.968 4.012 0.012 1 0 "[ . 1 . 2]" 1
74 1 45 CYS HA 1 67 TRP HE3 3.000 . 3.000 2.117 2.004 2.270 . 0 0 "[ . 1 . 2]" 1
75 1 45 CYS HA 1 67 TRP HB3 4.500 . 4.500 2.778 2.609 3.009 . 0 0 "[ . 1 . 2]" 1
76 1 45 CYS HA 1 68 LEU HA 5.000 . 5.000 4.449 3.922 4.553 . 0 0 "[ . 1 . 2]" 1
77 1 45 CYS HB2 1 69 CYS HB3 4.000 . 4.000 3.293 2.531 3.410 . 0 0 "[ . 1 . 2]" 1
78 1 45 CYS HB2 1 69 CYS HB2 5.000 . 5.000 4.927 4.245 5.032 0.032 11 0 "[ . 1 . 2]" 1
79 1 45 CYS HA 1 46 ASP HA 5.000 . 5.000 4.322 4.311 4.335 . 0 0 "[ . 1 . 2]" 1
80 1 46 ASP HA 1 47 MET HA 5.000 . 5.000 4.481 4.469 4.492 . 0 0 "[ . 1 . 2]" 1
81 1 46 ASP HB2 1 68 LEU MD1 5.000 . 5.000 4.052 3.670 4.663 . 0 0 "[ . 1 . 2]" 1
82 1 46 ASP HB2 1 68 LEU MD2 5.000 . 5.000 2.679 2.396 3.230 . 0 0 "[ . 1 . 2]" 1
83 1 47 MET HA 1 48 CYS HA 5.000 . 5.000 4.449 4.444 4.455 . 0 0 "[ . 1 . 2]" 1
84 1 47 MET HB3 1 68 LEU MD1 5.000 . 5.000 2.886 2.459 4.170 . 0 0 "[ . 1 . 2]" 1
85 1 47 MET HB2 1 68 LEU MD1 5.000 . 5.000 2.185 1.900 2.990 . 0 0 "[ . 1 . 2]" 1
86 1 48 CYS HA 1 49 ASN HA 5.000 . 5.000 4.447 4.439 4.464 . 0 0 "[ . 1 . 2]" 1
87 1 48 CYS HB2 1 69 CYS HB3 5.000 . 5.000 4.437 3.777 4.557 . 0 0 "[ . 1 . 2]" 1
88 1 44 PHE HE1 1 49 ASN HA 5.000 . 5.000 4.180 3.554 4.564 . 0 0 "[ . 1 . 2]" 1
89 1 44 PHE HD1 1 49 ASN HA 5.000 . 5.000 4.890 4.447 5.025 0.025 18 0 "[ . 1 . 2]" 1
90 1 44 PHE HE2 1 49 ASN HA 5.000 . 5.000 2.858 2.498 3.476 . 0 0 "[ . 1 . 2]" 1
91 1 44 PHE HD2 1 49 ASN HA 5.000 . 5.000 3.820 3.261 4.354 . 0 0 "[ . 1 . 2]" 1
92 1 45 CYS HB3 1 49 ASN HA 5.000 . 5.000 4.159 4.064 4.218 . 0 0 "[ . 1 . 2]" 1
93 1 48 CYS HB2 1 49 ASN HA 5.000 . 5.000 4.580 4.535 4.633 . 0 0 "[ . 1 . 2]" 1
94 1 50 LEU HA 1 51 ALA MB 5.000 . 5.000 4.046 3.975 4.111 . 0 0 "[ . 1 . 2]" 1
95 1 50 LEU MD1 1 69 CYS HB2 4.000 2.800 4.000 3.615 3.053 3.966 . 0 0 "[ . 1 . 2]" 1
96 1 50 LEU MD1 1 69 CYS HB3 4.000 2.800 4.000 3.769 3.457 4.019 0.019 18 0 "[ . 1 . 2]" 1
97 1 42 ILE HG12 1 51 ALA HA 5.000 . 5.000 3.690 3.308 4.066 . 0 0 "[ . 1 . 2]" 1
98 1 50 LEU HA 1 51 ALA HA 5.000 . 5.000 4.402 4.380 4.420 . 0 0 "[ . 1 . 2]" 1
99 1 27 VAL HA 1 51 ALA MB 5.000 . 5.000 4.017 3.858 4.131 . 0 0 "[ . 1 . 2]" 1
100 1 30 ILE MD 1 52 VAL HA 4.500 . 4.500 3.398 3.306 3.570 . 0 0 "[ . 1 . 2]" 1
101 1 52 VAL HB 1 54 GLN HA 6.000 . 6.000 5.433 5.338 5.547 . 0 0 "[ . 1 . 2]" 1
102 1 50 LEU MD1 1 52 VAL QG 3.000 . 3.000 2.294 1.662 2.659 0.138 19 0 "[ . 1 . 2]" 1
103 1 30 ILE MD 1 52 VAL QG 3.000 . 3.000 1.856 1.775 1.946 0.025 4 0 "[ . 1 . 2]" 1
104 1 43 LEU HB2 1 52 VAL QG 4.000 . 4.000 2.944 2.769 3.146 . 0 0 "[ . 1 . 2]" 1
105 1 50 LEU MD2 1 52 VAL QG 6.000 . 6.000 2.653 2.147 3.651 . 0 0 "[ . 1 . 2]" 1
106 1 52 VAL QG 1 57 TYR HB3 4.000 . 4.000 3.282 3.046 3.503 . 0 0 "[ . 1 . 2]" 1
107 1 52 VAL QG 1 57 TYR HB2 4.000 . 4.000 2.180 1.970 2.465 . 0 0 "[ . 1 . 2]" 1
108 1 52 VAL QG 1 59 VAL MG2 5.000 . 5.000 3.789 3.576 3.990 . 0 0 "[ . 1 . 2]" 1
109 1 52 VAL QG 1 67 TRP HZ2 5.000 . 5.000 3.406 3.012 3.784 . 0 0 "[ . 1 . 2]" 1
110 1 42 ILE MD 1 53 HIS HA 6.000 . 6.000 4.117 3.699 4.468 . 0 0 "[ . 1 . 2]" 1
111 1 30 ILE MD 1 53 HIS HB2 6.000 . 6.000 4.738 4.629 4.851 . 0 0 "[ . 1 . 2]" 1
112 1 42 ILE HB 1 53 HIS HD2 5.000 . 5.000 2.859 2.571 3.137 . 0 0 "[ . 1 . 2]" 1
113 1 53 HIS HA 1 53 HIS HD2 5.000 . 5.000 3.043 3.005 3.074 . 0 0 "[ . 1 . 2]" 1
114 1 41 VAL MG2 1 54 GLN HG3 5.000 . 5.000 2.123 1.957 2.570 . 0 0 "[ . 1 . 2]" 1
115 1 43 LEU MD1 1 54 GLN HG3 5.000 . 5.000 4.017 3.828 4.205 . 0 0 "[ . 1 . 2]" 1
116 1 41 VAL MG2 1 54 GLN HG2 4.000 . 4.000 1.919 1.850 1.981 . 0 0 "[ . 1 . 2]" 1
117 1 43 LEU MD1 1 54 GLN HG2 4.000 . 4.000 3.497 3.003 3.691 . 0 0 "[ . 1 . 2]" 1
118 1 30 ILE MG 1 56 CYS HB3 4.000 . 4.000 2.825 2.715 2.919 . 0 0 "[ . 1 . 2]" 1
119 1 30 ILE HB 1 56 CYS HB2 4.000 . 4.000 3.483 3.446 3.529 . 0 0 "[ . 1 . 2]" 1
120 1 30 ILE MG 1 56 CYS HB2 4.000 . 4.000 3.874 3.802 3.924 . 0 0 "[ . 1 . 2]" 1
121 1 30 ILE MD 1 57 TYR HA 4.000 . 4.000 2.340 2.027 2.559 . 0 0 "[ . 1 . 2]" 1
122 1 52 VAL QG 1 57 TYR HA 6.000 . 6.000 3.897 3.624 4.130 . 0 0 "[ . 1 . 2]" 1
123 1 52 VAL HB 1 57 TYR HB2 4.000 . 4.000 2.665 2.367 2.855 . 0 0 "[ . 1 . 2]" 1
124 1 30 ILE MD 1 57 TYR QD 4.000 . 4.000 2.254 1.985 2.650 . 0 0 "[ . 1 . 2]" 1
125 1 52 VAL HB 1 57 TYR QD 4.000 . 4.000 3.060 2.437 3.854 . 0 0 "[ . 1 . 2]" 1
126 1 52 VAL QG 1 57 TYR QD 5.000 . 5.000 2.158 1.849 2.935 . 0 0 "[ . 1 . 2]" 1
127 1 59 VAL MG1 1 61 TYR HA 4.000 2.800 4.000 3.883 3.719 4.014 0.014 20 0 "[ . 1 . 2]" 1
128 1 59 VAL MG1 1 62 ILE HA 4.000 2.800 4.000 3.199 2.809 3.515 . 0 0 "[ . 1 . 2]" 1
129 1 59 VAL MG1 1 62 ILE HG13 4.000 2.800 4.000 3.896 3.502 4.017 0.017 2 0 "[ . 1 . 2]" 1
130 1 59 VAL MG1 1 62 ILE HG12 4.000 2.800 4.000 3.628 3.140 4.012 0.012 4 0 "[ . 1 . 2]" 1
131 1 59 VAL MG1 1 63 PRO HD3 5.000 . 5.000 3.400 3.030 3.785 . 0 0 "[ . 1 . 2]" 1
132 1 59 VAL MG1 1 63 PRO HD2 5.000 . 5.000 3.847 3.644 4.129 . 0 0 "[ . 1 . 2]" 1
133 1 43 LEU MD1 1 59 VAL MG2 4.000 . 4.000 2.344 2.123 2.574 . 0 0 "[ . 1 . 2]" 1
134 1 54 GLN HA 1 59 VAL MG2 3.000 . 3.000 2.145 1.963 2.666 . 0 0 "[ . 1 . 2]" 1
135 1 54 GLN HB3 1 59 VAL MG2 4.000 . 4.000 3.331 2.916 3.841 . 0 0 "[ . 1 . 2]" 1
136 1 54 GLN HB2 1 59 VAL MG2 4.000 . 4.000 3.008 2.761 3.384 . 0 0 "[ . 1 . 2]" 1
137 1 57 TYR HB3 1 59 VAL MG2 4.000 . 4.000 2.173 1.994 2.409 . 0 0 "[ . 1 . 2]" 1
138 1 57 TYR HB2 1 59 VAL MG2 4.000 . 4.000 3.475 3.375 3.616 . 0 0 "[ . 1 . 2]" 1
139 1 61 TYR HA 1 61 TYR HD2 5.000 . 5.000 4.230 3.146 4.597 . 0 0 "[ . 1 . 2]" 1
140 1 43 LEU MD2 1 62 ILE HA 5.000 . 5.000 4.559 4.246 4.901 . 0 0 "[ . 1 . 2]" 1
141 1 41 VAL MG2 1 62 ILE MD 4.000 2.800 4.000 3.127 2.790 3.527 0.010 10 0 "[ . 1 . 2]" 1
142 1 41 VAL MG1 1 62 ILE MD 5.000 . 5.000 3.805 3.355 4.166 . 0 0 "[ . 1 . 2]" 1
143 1 43 LEU MD1 1 62 ILE MD 4.000 2.800 4.000 3.892 3.664 4.021 0.021 19 0 "[ . 1 . 2]" 1
144 1 43 LEU MD2 1 62 ILE MD 4.000 2.800 4.000 3.348 3.076 3.657 . 0 0 "[ . 1 . 2]" 1
145 1 61 TYR HA 1 62 ILE MD 5.000 . 5.000 4.610 4.271 4.890 . 0 0 "[ . 1 . 2]" 1
146 1 43 LEU MD1 1 62 ILE MG 5.000 . 5.000 3.543 3.144 4.040 . 0 0 "[ . 1 . 2]" 1
147 1 43 LEU MD2 1 62 ILE MG 4.000 2.800 4.000 2.775 2.762 2.798 0.038 17 0 "[ . 1 . 2]" 1
148 1 43 LEU HG 1 62 ILE MG 5.000 . 5.000 5.019 4.955 5.055 0.055 17 0 "[ . 1 . 2]" 1
149 1 43 LEU MD2 1 63 PRO HD3 6.000 . 6.000 5.765 5.420 5.974 . 0 0 "[ . 1 . 2]" 1
150 1 43 LEU MD2 1 63 PRO HD2 6.000 . 6.000 4.674 4.143 5.109 . 0 0 "[ . 1 . 2]" 1
151 1 67 TRP HA 1 67 TRP HD1 5.000 . 5.000 2.268 2.152 2.464 . 0 0 "[ . 1 . 2]" 1
152 1 45 CYS HB3 1 69 CYS HB3 5.000 2.800 5.000 4.721 3.970 4.819 . 0 0 "[ . 1 . 2]" 1
153 1 50 LEU HB3 1 69 CYS HB3 4.000 . 4.000 3.003 2.504 3.252 . 0 0 "[ . 1 . 2]" 1
154 1 50 LEU HB2 1 69 CYS HB3 5.000 . 5.000 3.511 2.830 3.923 . 0 0 "[ . 1 . 2]" 1
155 1 50 LEU MD2 1 69 CYS HB3 4.000 . 4.000 2.528 1.867 4.013 0.013 5 0 "[ . 1 . 2]" 1
156 1 50 LEU HB3 1 69 CYS HB2 5.000 2.800 5.000 4.190 3.566 4.482 . 0 0 "[ . 1 . 2]" 1
157 1 50 LEU HB2 1 69 CYS HB2 5.000 . 5.000 4.108 3.465 4.407 . 0 0 "[ . 1 . 2]" 1
158 1 50 LEU MD2 1 69 CYS HB2 4.000 . 4.000 2.542 1.980 3.704 . 0 0 "[ . 1 . 2]" 1
159 1 71 HIS HA 1 74 GLN QB . . 5.000 3.051 2.628 3.098 . 0 0 "[ . 1 . 2]" 1
160 1 68 LEU MD1 1 72 CYS HB2 6.000 . 6.000 2.337 2.120 3.149 . 0 0 "[ . 1 . 2]" 1
161 1 68 LEU MD2 1 72 CYS HB2 6.000 . 6.000 4.993 4.851 5.180 . 0 0 "[ . 1 . 2]" 1
162 1 68 LEU MD2 1 73 LEU HA 6.000 . 6.000 5.039 4.787 5.422 . 0 0 "[ . 1 . 2]" 1
163 1 70 ARG HA 1 73 LEU QD 5.000 . 5.000 1.982 1.961 2.017 . 0 0 "[ . 1 . 2]" 1
164 1 68 LEU MD1 1 75 SER QB 5.000 . 5.000 5.037 5.025 5.054 0.054 8 0 "[ . 1 . 2]" 1
165 1 76 ARG HA 1 76 ARG QD 5.000 . 5.000 3.833 2.064 4.519 . 0 0 "[ . 1 . 2]" 1
166 1 76 ARG QG 1 77 ALA HA 5.000 . 5.000 4.157 3.269 4.968 . 0 0 "[ . 1 . 2]" 1
167 1 74 GLN HA 1 77 ALA MB 5.000 . 5.000 2.135 1.903 2.676 . 0 0 "[ . 1 . 2]" 1
168 1 1 ALA HA 1 2 ARG H 5.000 . 5.000 2.162 2.138 2.218 . 0 0 "[ . 1 . 2]" 1
169 1 1 ALA MB 1 2 ARG H 5.000 . 5.000 3.104 2.807 3.294 . 0 0 "[ . 1 . 2]" 1
170 1 2 ARG H 1 2 ARG HD3 5.000 . 5.000 4.240 1.860 5.037 0.037 5 0 "[ . 1 . 2]" 1
171 1 2 ARG H 1 2 ARG HD2 5.000 . 5.000 4.681 2.926 5.045 0.045 11 0 "[ . 1 . 2]" 1
172 1 2 ARG H 1 43 LEU MD2 5.000 . 5.000 4.375 4.039 4.643 . 0 0 "[ . 1 . 2]" 1
173 1 2 ARG H 1 44 PHE H 5.000 . 5.000 4.398 4.084 4.742 . 0 0 "[ . 1 . 2]" 1
174 1 2 ARG H 1 67 TRP HB3 5.000 . 5.000 4.120 3.828 4.413 . 0 0 "[ . 1 . 2]" 1
175 1 2 ARG H 1 67 TRP HB2 5.000 . 5.000 3.833 3.560 4.319 . 0 0 "[ . 1 . 2]" 1
176 1 2 ARG H 1 67 TRP H 5.000 . 5.000 4.627 4.185 4.935 . 0 0 "[ . 1 . 2]" 1
177 1 2 ARG HA 1 3 THR H 5.000 . 5.000 2.146 2.132 2.160 . 0 0 "[ . 1 . 2]" 1
178 1 2 ARG HB3 1 3 THR H 5.000 . 5.000 3.627 3.306 3.966 . 0 0 "[ . 1 . 2]" 1
179 1 2 ARG H 1 3 THR H 5.000 . 5.000 4.459 4.365 4.553 . 0 0 "[ . 1 . 2]" 1
180 1 3 THR H 1 43 LEU MD2 5.000 . 5.000 3.913 3.720 4.118 . 0 0 "[ . 1 . 2]" 1
181 1 3 THR H 1 62 ILE MG 5.000 . 5.000 4.818 4.488 4.982 . 0 0 "[ . 1 . 2]" 1
182 1 3 THR HA 1 4 LYS H 5.000 . 5.000 2.177 2.146 2.246 . 0 0 "[ . 1 . 2]" 1
183 1 3 THR HB 1 4 LYS H 5.000 . 5.000 3.905 3.688 4.052 . 0 0 "[ . 1 . 2]" 1
184 1 3 THR MG 1 4 LYS H 5.000 . 5.000 2.672 2.426 2.812 . 0 0 "[ . 1 . 2]" 1
185 1 4 LYS H 1 41 VAL HA 5.000 . 5.000 4.104 3.921 4.258 . 0 0 "[ . 1 . 2]" 1
186 1 4 LYS H 1 41 VAL HB 5.000 . 5.000 4.230 3.986 4.407 . 0 0 "[ . 1 . 2]" 1
187 1 4 LYS H 1 42 ILE MG 4.000 . 4.000 2.317 2.118 2.614 . 0 0 "[ . 1 . 2]" 1
188 1 4 LYS H 1 42 ILE H 4.000 . 4.000 3.052 2.947 3.164 . 0 0 "[ . 1 . 2]" 1
189 1 4 LYS H 1 43 LEU HA 5.000 . 5.000 3.817 3.507 3.932 . 0 0 "[ . 1 . 2]" 1
190 1 4 LYS H 1 43 LEU MD2 5.000 . 5.000 3.775 3.472 4.274 . 0 0 "[ . 1 . 2]" 1
191 1 4 LYS HA 1 5 GLN H 5.000 . 5.000 2.168 2.146 2.202 . 0 0 "[ . 1 . 2]" 1
192 1 4 LYS HB3 1 5 GLN H 5.000 . 5.000 3.787 3.372 4.221 . 0 0 "[ . 1 . 2]" 1
193 1 4 LYS HB2 1 5 GLN H 5.000 . 5.000 4.421 4.142 4.558 . 0 0 "[ . 1 . 2]" 1
194 1 5 GLN H 1 5 GLN QG 5.000 . 5.000 4.078 4.028 4.129 . 0 0 "[ . 1 . 2]" 1
195 1 5 GLN HA 1 6 THR H 5.000 . 5.000 2.153 2.133 2.195 . 0 0 "[ . 1 . 2]" 1
196 1 5 GLN QB 1 6 THR H 5.000 . 5.000 3.729 3.599 3.870 . 0 0 "[ . 1 . 2]" 1
197 1 5 GLN QG 1 6 THR H 5.000 . 5.000 2.614 2.251 3.050 . 0 0 "[ . 1 . 2]" 1
198 1 6 THR H 1 39 SER HA 5.000 . 5.000 4.334 3.973 4.694 . 0 0 "[ . 1 . 2]" 1
199 1 6 THR H 1 40 ASN H 4.000 . 4.000 2.922 2.616 3.205 . 0 0 "[ . 1 . 2]" 1
200 1 6 THR H 1 41 VAL HA 4.000 . 4.000 3.901 3.659 4.005 0.005 10 0 "[ . 1 . 2]" 1
201 1 6 THR H 1 41 VAL MG1 5.000 . 5.000 4.050 3.782 4.354 . 0 0 "[ . 1 . 2]" 1
202 1 6 THR HA 1 7 ALA H 5.000 . 5.000 2.164 2.139 2.203 . 0 0 "[ . 1 . 2]" 1
203 1 6 THR HB 1 7 ALA H 5.000 . 5.000 3.340 3.080 3.665 . 0 0 "[ . 1 . 2]" 1
204 1 6 THR MG 1 7 ALA H 5.000 . 5.000 4.054 3.822 4.221 . 0 0 "[ . 1 . 2]" 1
205 1 7 ALA HA 1 8 ARG H 5.000 . 5.000 2.241 2.136 2.544 . 0 0 "[ . 1 . 2]" 1
206 1 7 ALA MB 1 8 ARG H 5.000 . 5.000 2.887 2.244 3.491 . 0 0 "[ . 1 . 2]" 1
207 1 8 ARG H 1 8 ARG QD 5.000 . 5.000 4.362 3.620 5.040 0.040 20 0 "[ . 1 . 2]" 1
208 1 8 ARG H 1 38 ASN HA 4.000 . 4.000 3.363 2.682 3.831 . 0 0 "[ . 1 . 2]" 1
209 1 8 ARG H 1 39 SER HA 4.000 . 4.000 3.722 3.375 3.988 . 0 0 "[ . 1 . 2]" 1
210 1 8 ARG H 1 39 SER H 6.000 . 6.000 4.942 4.361 5.225 . 0 0 "[ . 1 . 2]" 1
211 1 8 ARG HA 1 9 LYS H 5.000 . 5.000 2.510 2.131 3.584 . 0 0 "[ . 1 . 2]" 1
212 1 8 ARG QB 1 9 LYS H 5.000 . 5.000 3.227 2.087 3.956 . 0 0 "[ . 1 . 2]" 1
213 1 8 ARG H 1 9 LYS H 5.000 . 5.000 3.927 2.534 4.610 . 0 0 "[ . 1 . 2]" 1
214 1 9 LYS HA 1 10 SER H 5.000 . 5.000 2.721 2.147 3.587 . 0 0 "[ . 1 . 2]" 1
215 1 9 LYS QB 1 10 SER H 5.000 . 5.000 2.938 1.934 3.973 . 0 0 "[ . 1 . 2]" 1
216 1 9 LYS QE 1 10 SER H 5.000 . 5.000 4.059 2.451 5.032 0.032 2 0 "[ . 1 . 2]" 1
217 1 10 SER HA 1 11 THR H 5.000 . 5.000 2.816 2.130 3.574 . 0 0 "[ . 1 . 2]" 1
218 1 10 SER QB 1 11 THR H 5.000 . 5.000 2.971 2.265 3.895 . 0 0 "[ . 1 . 2]" 1
219 1 19 GLN HA 1 20 SER H 5.000 . 5.000 2.706 2.161 3.583 . 0 0 "[ . 1 . 2]" 1
220 1 19 GLN QB 1 20 SER H 5.000 . 5.000 3.112 2.113 3.963 . 0 0 "[ . 1 . 2]" 1
221 1 19 GLN QG 1 20 SER H 5.000 . 5.000 3.539 1.963 4.878 . 0 0 "[ . 1 . 2]" 1
222 1 20 SER H 1 21 LEU H 5.000 . 5.000 3.686 2.611 4.611 . 0 0 "[ . 1 . 2]" 1
223 1 20 SER HA 1 21 LEU H 5.000 . 5.000 2.532 2.139 3.584 . 0 0 "[ . 1 . 2]" 1
224 1 20 SER QB 1 21 LEU H 5.000 . 5.000 3.339 2.111 4.049 . 0 0 "[ . 1 . 2]" 1
225 1 21 LEU H 1 21 LEU QD 5.000 . 5.000 3.217 2.030 4.111 . 0 0 "[ . 1 . 2]" 1
226 1 21 LEU H 1 22 ILE H 5.000 . 5.000 3.714 2.015 4.626 . 0 0 "[ . 1 . 2]" 1
227 1 21 LEU HA 1 22 ILE H 5.000 . 5.000 2.580 2.150 3.566 . 0 0 "[ . 1 . 2]" 1
228 1 21 LEU QB 1 22 ILE H 5.000 . 5.000 3.140 2.323 3.795 . 0 0 "[ . 1 . 2]" 1
229 1 22 ILE H 1 22 ILE HG13 5.000 . 5.000 3.020 1.977 4.589 . 0 0 "[ . 1 . 2]" 1
230 1 22 ILE H 1 22 ILE HG12 5.000 . 5.000 3.567 2.110 4.935 . 0 0 "[ . 1 . 2]" 1
231 1 22 ILE H 1 23 ASP H 5.000 . 5.000 3.569 1.988 4.500 . 0 0 "[ . 1 . 2]" 1
232 1 22 ILE HA 1 23 ASP H 5.000 . 5.000 2.653 2.129 3.556 . 0 0 "[ . 1 . 2]" 1
233 1 22 ILE HB 1 23 ASP H 5.000 . 5.000 3.669 2.110 4.664 . 0 0 "[ . 1 . 2]" 1
234 1 23 ASP HA 1 24 GLU H 5.000 . 5.000 2.689 2.166 3.561 . 0 0 "[ . 1 . 2]" 1
235 1 23 ASP HB3 1 24 GLU H 5.000 . 5.000 3.504 2.021 4.441 . 0 0 "[ . 1 . 2]" 1
236 1 23 ASP HB2 1 24 GLU H 5.000 . 5.000 3.905 1.973 4.679 . 0 0 "[ . 1 . 2]" 1
237 1 24 GLU H 1 24 GLU QG 5.000 . 5.000 3.270 1.980 4.323 . 0 0 "[ . 1 . 2]" 1
238 1 24 GLU HA 1 25 ASP H 5.000 . 5.000 2.336 2.125 3.031 . 0 0 "[ . 1 . 2]" 1
239 1 24 GLU HB3 1 25 ASP H 5.000 . 5.000 4.254 3.686 4.665 . 0 0 "[ . 1 . 2]" 1
240 1 24 GLU HB2 1 25 ASP H 5.000 . 5.000 4.390 3.356 4.663 . 0 0 "[ . 1 . 2]" 1
241 1 25 ASP H 1 26 ALA H 5.000 . 5.000 4.267 2.682 4.652 . 0 0 "[ . 1 . 2]" 1
242 1 25 ASP HA 1 26 ALA H 5.000 . 5.000 2.589 2.155 3.554 . 0 0 "[ . 1 . 2]" 1
243 1 25 ASP HB3 1 26 ALA H 5.000 . 5.000 2.754 2.007 4.481 . 0 0 "[ . 1 . 2]" 1
244 1 25 ASP HB2 1 26 ALA H 5.000 . 5.000 3.559 2.023 4.267 . 0 0 "[ . 1 . 2]" 1
245 1 26 ALA H 1 27 VAL MG1 5.000 . 5.000 4.720 3.956 5.024 0.024 6 0 "[ . 1 . 2]" 1
246 1 26 ALA HA 1 27 VAL H 5.000 . 5.000 2.490 2.296 2.610 . 0 0 "[ . 1 . 2]" 1
247 1 26 ALA MB 1 27 VAL H 5.000 . 5.000 2.364 2.124 2.726 . 0 0 "[ . 1 . 2]" 1
248 1 27 VAL H 1 28 CYS HA 5.000 . 5.000 4.778 4.671 4.885 . 0 0 "[ . 1 . 2]" 1
249 1 27 VAL H 1 28 CYS H 5.000 . 5.000 4.165 4.085 4.234 . 0 0 "[ . 1 . 2]" 1
250 1 27 VAL H 1 42 ILE MD 5.000 . 5.000 3.492 2.986 3.841 . 0 0 "[ . 1 . 2]" 1
251 1 27 VAL H 1 51 ALA MB 4.000 . 4.000 2.477 2.204 2.652 . 0 0 "[ . 1 . 2]" 1
252 1 27 VAL HA 1 28 CYS H 5.000 . 5.000 2.146 2.134 2.158 . 0 0 "[ . 1 . 2]" 1
253 1 27 VAL HB 1 28 CYS H 5.000 . 5.000 3.568 3.476 3.618 . 0 0 "[ . 1 . 2]" 1
254 1 27 VAL QG 1 28 CYS H 5.000 . 5.000 3.628 3.577 3.670 . 0 0 "[ . 1 . 2]" 1
255 1 28 CYS H 1 29 SER H 5.000 . 5.000 4.634 4.629 4.640 . 0 0 "[ . 1 . 2]" 1
256 1 28 CYS H 1 42 ILE MD 4.000 . 4.000 2.270 2.195 2.325 . 0 0 "[ . 1 . 2]" 1
257 1 28 CYS H 1 42 ILE HG13 5.000 . 5.000 4.825 4.577 5.005 0.005 10 0 "[ . 1 . 2]" 1
258 1 28 CYS H 1 51 ALA MB 4.000 . 4.000 3.896 3.744 4.029 0.029 4 0 "[ . 1 . 2]" 1
259 1 28 CYS H 1 52 VAL HA . . 5.000 5.001 4.938 5.026 0.026 15 0 "[ . 1 . 2]" 1
260 1 28 CYS H 1 53 HIS H . . 5.500 5.537 5.526 5.553 0.053 2 0 "[ . 1 . 2]" 1
261 1 28 CYS HA 1 29 SER H 5.000 . 5.000 2.273 2.256 2.285 . 0 0 "[ . 1 . 2]" 1
262 1 28 CYS HB2 1 29 SER H 5.000 . 5.000 3.841 3.802 3.872 . 0 0 "[ . 1 . 2]" 1
263 1 29 SER H 1 52 VAL HA 4.000 . 4.000 2.783 2.606 2.954 . 0 0 "[ . 1 . 2]" 1
264 1 29 SER H 1 52 VAL HB 5.000 . 5.000 4.060 3.964 4.187 . 0 0 "[ . 1 . 2]" 1
265 1 29 SER H 1 52 VAL QG 6.000 . 6.000 1.996 1.902 2.111 . 0 0 "[ . 1 . 2]" 1
266 1 29 SER H 1 52 VAL H 6.000 . 6.000 5.067 4.853 5.289 . 0 0 "[ . 1 . 2]" 1
267 1 29 SER H 1 53 HIS H 5.000 . 5.000 4.373 4.268 4.486 . 0 0 "[ . 1 . 2]" 1
268 1 29 SER H 1 56 CYS HB3 6.000 . 6.000 5.208 5.124 5.272 . 0 0 "[ . 1 . 2]" 1
269 1 29 SER H 1 56 CYS HB2 6.000 . 6.000 5.963 5.927 6.009 0.009 11 0 "[ . 1 . 2]" 1
270 1 30 ILE H 1 30 ILE MD 5.000 . 5.000 2.248 2.105 2.452 . 0 0 "[ . 1 . 2]" 1
271 1 30 ILE H 1 30 ILE HG13 5.000 . 5.000 3.230 3.103 3.312 . 0 0 "[ . 1 . 2]" 1
272 1 30 ILE H 1 31 CYS HB3 5.000 . 5.000 5.041 5.032 5.052 0.052 4 0 "[ . 1 . 2]" 1
273 1 30 ILE H 1 31 CYS H 5.000 . 5.000 2.580 2.561 2.597 . 0 0 "[ . 1 . 2]" 1
274 1 30 ILE H 1 52 VAL HA 4.000 . 4.000 3.819 3.669 3.982 . 0 0 "[ . 1 . 2]" 1
275 1 30 ILE H 1 52 VAL HB 5.000 . 5.000 3.954 3.858 4.071 . 0 0 "[ . 1 . 2]" 1
276 1 30 ILE H 1 53 HIS H 5.000 . 5.000 4.577 4.481 4.667 . 0 0 "[ . 1 . 2]" 1
277 1 30 ILE H 1 56 CYS HB3 5.000 . 5.000 3.876 3.819 3.932 . 0 0 "[ . 1 . 2]" 1
278 1 30 ILE H 1 56 CYS HB2 . . 5.000 5.070 5.060 5.080 0.080 11 0 "[ . 1 . 2]" 1
279 1 28 CYS H 1 31 CYS H 6.000 . 6.000 5.519 5.381 5.687 . 0 0 "[ . 1 . 2]" 1
280 1 30 ILE HA 1 31 CYS H 5.000 . 5.000 3.494 3.474 3.509 . 0 0 "[ . 1 . 2]" 1
281 1 30 ILE HB 1 31 CYS H 5.000 . 5.000 3.015 2.932 3.090 . 0 0 "[ . 1 . 2]" 1
282 1 30 ILE HG13 1 31 CYS H 5.000 . 5.000 4.896 4.849 4.940 . 0 0 "[ . 1 . 2]" 1
283 1 30 ILE MG 1 31 CYS H 5.000 . 5.000 3.384 3.292 3.491 . 0 0 "[ . 1 . 2]" 1
284 1 31 CYS H 1 33 ASP H 5.000 . 5.000 4.681 4.447 4.947 . 0 0 "[ . 1 . 2]" 1
285 1 31 CYS H 1 53 HIS H 6.000 . 6.000 5.258 5.180 5.307 . 0 0 "[ . 1 . 2]" 1
286 1 31 CYS H 1 56 CYS HB3 5.000 . 5.000 4.696 4.591 4.796 . 0 0 "[ . 1 . 2]" 1
287 1 31 CYS H 1 56 CYS HB2 6.000 . 6.000 5.393 5.299 5.487 . 0 0 "[ . 1 . 2]" 1
288 1 31 CYS HA 1 32 MET H 3.000 . 3.000 2.328 2.203 2.526 . 0 0 "[ . 1 . 2]" 1
289 1 31 CYS HB3 1 32 MET H 5.000 . 5.000 4.083 3.852 4.274 . 0 0 "[ . 1 . 2]" 1
290 1 31 CYS HB2 1 32 MET H 4.000 . 4.000 2.805 2.451 3.146 . 0 0 "[ . 1 . 2]" 1
291 1 31 CYS H 1 32 MET H 5.000 . 5.000 4.401 4.325 4.447 . 0 0 "[ . 1 . 2]" 1
292 1 32 MET H 1 33 ASP HA 5.000 . 5.000 4.915 4.631 5.014 0.014 20 0 "[ . 1 . 2]" 1
293 1 32 MET H 1 33 ASP H 4.000 . 4.000 3.050 2.816 3.198 . 0 0 "[ . 1 . 2]" 1
294 1 32 MET H 1 34 GLY QA 5.000 . 5.000 4.290 4.033 4.537 . 0 0 "[ . 1 . 2]" 1
295 1 32 MET H 1 34 GLY H 4.000 . 4.000 3.108 2.796 3.347 . 0 0 "[ . 1 . 2]" 1
296 1 28 CYS HB3 1 33 ASP H 5.000 . 5.000 3.913 3.392 4.348 . 0 0 "[ . 1 . 2]" 1
297 1 31 CYS HA 1 33 ASP H 5.000 3.800 5.000 4.324 4.082 4.660 . 0 0 "[ . 1 . 2]" 1
298 1 31 CYS HB3 1 33 ASP H 5.000 . 5.000 4.558 4.383 4.743 . 0 0 "[ . 1 . 2]" 1
299 1 31 CYS HB2 1 33 ASP H 4.000 . 4.000 3.542 3.275 3.858 . 0 0 "[ . 1 . 2]" 1
300 1 32 MET HA 1 33 ASP H 4.000 . 4.000 2.749 2.635 2.880 . 0 0 "[ . 1 . 2]" 1
301 1 33 ASP H 1 34 GLY H 3.000 . 3.000 2.742 2.694 2.768 . 0 0 "[ . 1 . 2]" 1
302 1 33 ASP H 1 35 GLU H 5.000 . 5.000 4.562 4.235 4.778 . 0 0 "[ . 1 . 2]" 1
303 1 31 CYS HA 1 34 GLY H 5.000 3.800 5.000 4.784 4.523 5.007 0.007 1 0 "[ . 1 . 2]" 1
304 1 31 CYS HB3 1 34 GLY H 6.000 . 6.000 5.067 4.716 5.426 . 0 0 "[ . 1 . 2]" 1
305 1 31 CYS HB2 1 34 GLY H 4.000 . 4.000 3.409 3.115 3.712 . 0 0 "[ . 1 . 2]" 1
306 1 32 MET HB3 1 34 GLY H 5.000 . 5.000 4.575 3.879 5.020 0.020 8 0 "[ . 1 . 2]" 1
307 1 32 MET HB2 1 34 GLY H 5.000 . 5.000 4.344 3.765 4.996 . 0 0 "[ . 1 . 2]" 1
308 1 33 ASP HA 1 34 GLY H 3.000 . 3.000 2.910 2.789 2.971 . 0 0 "[ . 1 . 2]" 1
309 1 33 ASP HB3 1 34 GLY H 5.000 . 5.000 4.310 4.117 4.525 . 0 0 "[ . 1 . 2]" 1
310 1 33 ASP HB2 1 34 GLY H 5.000 . 5.000 4.307 4.103 4.605 . 0 0 "[ . 1 . 2]" 1
311 1 34 GLY H 1 35 GLU QB 5.000 . 5.000 4.609 4.258 5.013 0.013 1 0 "[ . 1 . 2]" 1
312 1 34 GLY H 1 35 GLU QG 4.000 . 4.000 3.568 3.132 3.979 . 0 0 "[ . 1 . 2]" 1
313 1 34 GLY H 1 35 GLU H 3.000 . 3.000 2.640 2.228 2.906 . 0 0 "[ . 1 . 2]" 1
314 1 31 CYS HB2 1 35 GLU H 5.000 . 5.000 4.503 3.764 5.019 0.019 7 0 "[ . 1 . 2]" 1
315 1 33 ASP HA 1 35 GLU H 4.000 . 4.000 3.457 3.273 3.798 . 0 0 "[ . 1 . 2]" 1
316 1 34 GLY HA3 1 35 GLU H 5.000 . 5.000 3.315 2.925 3.544 . 0 0 "[ . 1 . 2]" 1
317 1 35 GLU H 1 35 GLU QG 5.000 . 5.000 2.266 1.894 2.985 . 0 0 "[ . 1 . 2]" 1
318 1 35 GLU HA 1 36 SER H 5.000 . 5.000 2.619 2.152 3.531 . 0 0 "[ . 1 . 2]" 1
319 1 35 GLU QB 1 36 SER H 5.000 . 5.000 2.705 2.109 3.790 . 0 0 "[ . 1 . 2]" 1
320 1 35 GLU QG 1 36 SER H 5.000 . 5.000 3.762 2.046 4.457 . 0 0 "[ . 1 . 2]" 1
321 1 35 GLU H 1 36 SER H 5.000 . 5.000 4.110 2.243 4.650 . 0 0 "[ . 1 . 2]" 1
322 1 36 SER H 1 37 GLN H 5.000 . 5.000 3.050 2.186 4.177 . 0 0 "[ . 1 . 2]" 1
323 1 35 GLU QB 1 37 GLN H 5.000 . 5.000 3.404 2.375 4.871 . 0 0 "[ . 1 . 2]" 1
324 1 35 GLU QG 1 37 GLN H 5.000 . 5.000 4.167 2.089 5.011 0.011 20 0 "[ . 1 . 2]" 1
325 1 36 SER QB 1 37 GLN H 5.000 . 5.000 3.795 2.989 4.042 . 0 0 "[ . 1 . 2]" 1
326 1 37 GLN H 1 37 GLN QG 5.000 . 5.000 3.703 1.965 4.226 . 0 0 "[ . 1 . 2]" 1
327 1 37 GLN H 1 38 ASN H 5.000 . 5.000 4.527 4.316 4.651 . 0 0 "[ . 1 . 2]" 1
328 1 37 GLN HA 1 38 ASN H 5.000 . 5.000 2.347 2.177 2.577 . 0 0 "[ . 1 . 2]" 1
329 1 38 ASN H 1 39 SER H 3.000 . 3.000 2.549 2.253 2.775 . 0 0 "[ . 1 . 2]" 1
330 1 37 GLN HA 1 39 SER H 5.000 . 5.000 4.378 3.981 4.922 . 0 0 "[ . 1 . 2]" 1
331 1 37 GLN QB 1 39 SER H 5.000 . 5.000 3.360 2.479 4.991 . 0 0 "[ . 1 . 2]" 1
332 1 37 GLN QG 1 39 SER H 4.000 . 4.000 2.972 2.155 4.044 0.044 17 0 "[ . 1 . 2]" 1
333 1 38 ASN QB 1 39 SER H 5.000 . 5.000 2.745 2.089 3.690 . 0 0 "[ . 1 . 2]" 1
334 1 5 GLN HA 1 40 ASN HD21 5.000 . 5.000 4.404 4.068 5.017 0.017 10 0 "[ . 1 . 2]" 1
335 1 5 GLN HA 1 40 ASN H 5.000 . 5.000 4.271 3.885 4.673 . 0 0 "[ . 1 . 2]" 1
336 1 5 GLN QG 1 40 ASN H 5.000 . 5.000 3.507 2.942 4.047 . 0 0 "[ . 1 . 2]" 1
337 1 6 THR MG 1 40 ASN HD21 5.000 . 5.000 4.292 3.727 4.826 . 0 0 "[ . 1 . 2]" 1
338 1 6 THR MG 1 40 ASN HD22 5.000 . 5.000 3.520 2.788 4.161 . 0 0 "[ . 1 . 2]" 1
339 1 6 THR H 1 40 ASN HD21 4.000 . 4.000 3.735 3.252 4.011 0.011 20 0 "[ . 1 . 2]" 1
340 1 6 THR H 1 40 ASN HD22 4.000 . 4.000 3.706 3.154 4.012 0.012 19 0 "[ . 1 . 2]" 1
341 1 7 ALA HA 1 40 ASN H 4.000 . 4.000 3.878 3.599 4.020 0.020 15 0 "[ . 1 . 2]" 1
342 1 39 SER HA 1 40 ASN H 5.000 . 5.000 2.214 2.137 2.399 . 0 0 "[ . 1 . 2]" 1
343 1 39 SER HB3 1 40 ASN H 5.000 . 5.000 3.913 3.004 4.336 . 0 0 "[ . 1 . 2]" 1
344 1 39 SER HB2 1 40 ASN H 5.000 . 5.000 4.123 2.823 4.550 . 0 0 "[ . 1 . 2]" 1
345 1 40 ASN H 1 41 VAL H 5.000 . 5.000 4.441 4.332 4.516 . 0 0 "[ . 1 . 2]" 1
346 1 40 ASN HA 1 41 VAL H 5.000 . 5.000 2.391 2.243 2.535 . 0 0 "[ . 1 . 2]" 1
347 1 41 VAL H 1 42 ILE H 5.000 . 5.000 4.102 3.977 4.274 . 0 0 "[ . 1 . 2]" 1
348 1 3 THR HA 1 42 ILE H 5.000 . 5.000 4.687 4.560 4.847 . 0 0 "[ . 1 . 2]" 1
349 1 4 LYS HB3 1 42 ILE H 4.000 . 4.000 3.567 3.176 4.004 0.004 3 0 "[ . 1 . 2]" 1
350 1 4 LYS HB2 1 42 ILE H 5.000 . 5.000 4.302 3.699 4.975 . 0 0 "[ . 1 . 2]" 1
351 1 5 GLN HA 1 42 ILE H 4.000 . 4.000 3.800 3.625 4.000 . 0 0 "[ . 1 . 2]" 1
352 1 41 VAL HB 1 42 ILE H 5.000 . 5.000 3.645 3.475 3.747 . 0 0 "[ . 1 . 2]" 1
353 1 41 VAL MG1 1 42 ILE H 5.000 . 5.000 4.020 3.904 4.084 . 0 0 "[ . 1 . 2]" 1
354 1 42 ILE H 1 42 ILE MD 5.000 . 5.000 4.298 4.205 4.398 . 0 0 "[ . 1 . 2]" 1
355 1 42 ILE H 1 42 ILE HG13 5.000 . 5.000 4.433 4.413 4.450 . 0 0 "[ . 1 . 2]" 1
356 1 42 ILE HA 1 43 LEU H 5.000 . 5.000 2.316 2.240 2.405 . 0 0 "[ . 1 . 2]" 1
357 1 42 ILE HG13 1 43 LEU H 5.000 . 5.000 1.997 1.941 2.071 . 0 0 "[ . 1 . 2]" 1
358 1 42 ILE HG12 1 43 LEU H 5.000 . 5.000 3.074 2.480 3.668 . 0 0 "[ . 1 . 2]" 1
359 1 42 ILE H 1 43 LEU H 5.000 . 5.000 4.604 4.589 4.613 . 0 0 "[ . 1 . 2]" 1
360 1 43 LEU H 1 43 LEU MD1 5.000 . 5.000 4.008 3.610 4.257 . 0 0 "[ . 1 . 2]" 1
361 1 43 LEU H 1 43 LEU HG 5.000 . 5.000 3.078 2.855 3.293 . 0 0 "[ . 1 . 2]" 1
362 1 43 LEU H 1 44 PHE HD1 5.000 . 5.000 5.051 5.041 5.065 0.065 17 0 "[ . 1 . 2]" 1
363 1 43 LEU H 1 51 ALA HA 5.000 . 5.000 3.860 3.650 4.069 . 0 0 "[ . 1 . 2]" 1
364 1 43 LEU H 1 52 VAL HA 5.000 . 5.000 4.094 3.985 4.207 . 0 0 "[ . 1 . 2]" 1
365 1 43 LEU H 1 52 VAL H 4.000 . 4.000 2.671 2.492 2.879 . 0 0 "[ . 1 . 2]" 1
366 1 43 LEU H 1 53 HIS HA 4.000 . 4.000 3.054 2.865 3.273 . 0 0 "[ . 1 . 2]" 1
367 1 43 LEU H 1 53 HIS H 5.000 . 5.000 4.145 4.055 4.234 . 0 0 "[ . 1 . 2]" 1
368 1 1 ALA MB 1 44 PHE H 5.000 . 5.000 4.709 4.413 4.992 . 0 0 "[ . 1 . 2]" 1
369 1 2 ARG HB3 1 44 PHE H 4.000 . 4.000 3.814 2.864 4.027 0.027 8 0 "[ . 1 . 2]" 1
370 1 2 ARG HB2 1 44 PHE H 4.000 . 4.000 3.655 2.659 3.984 . 0 0 "[ . 1 . 2]" 1
371 1 3 THR HA 1 44 PHE H 4.000 . 4.000 3.917 3.518 4.045 0.045 6 0 "[ . 1 . 2]" 1
372 1 43 LEU HA 1 44 PHE H 5.000 . 5.000 2.151 2.105 2.331 . 0 0 "[ . 1 . 2]" 1
373 1 43 LEU HB3 1 44 PHE H 5.000 . 5.000 3.196 2.632 3.385 . 0 0 "[ . 1 . 2]" 1
374 1 43 LEU HB2 1 44 PHE H 5.000 . 5.000 4.165 3.735 4.303 . 0 0 "[ . 1 . 2]" 1
375 1 43 LEU MD1 1 44 PHE H 5.000 . 5.000 5.020 4.789 5.058 0.058 8 0 "[ . 1 . 2]" 1
376 1 44 PHE H 1 44 PHE HD1 5.000 . 5.000 4.238 4.039 4.404 . 0 0 "[ . 1 . 2]" 1
377 1 44 PHE H 1 45 CYS HA 6.000 . 6.000 5.044 4.776 5.202 . 0 0 "[ . 1 . 2]" 1
378 1 44 PHE H 1 45 CYS H 5.000 . 5.000 4.471 4.341 4.560 . 0 0 "[ . 1 . 2]" 1
379 1 44 PHE H 1 51 ALA HA 5.000 . 5.000 4.599 4.430 4.763 . 0 0 "[ . 1 . 2]" 1
380 1 44 PHE H 1 52 VAL H 5.500 . 5.500 5.055 4.980 5.117 . 0 0 "[ . 1 . 2]" 1
381 1 44 PHE HA 1 45 CYS H 2.500 . 2.500 2.220 2.204 2.260 . 0 0 "[ . 1 . 2]" 1
382 1 45 CYS H 1 45 CYS HA 3.000 . 3.000 2.835 2.816 2.864 . 0 0 "[ . 1 . 2]" 1
383 1 45 CYS H 1 45 CYS HB3 3.000 . 3.000 2.765 2.702 2.804 . 0 0 "[ . 1 . 2]" 1
384 1 45 CYS H 1 45 CYS HB2 3.000 . 3.000 2.405 2.371 2.460 . 0 0 "[ . 1 . 2]" 1
385 1 45 CYS H 1 46 ASP HA 6.000 . 6.000 5.555 5.497 5.601 . 0 0 "[ . 1 . 2]" 1
386 1 45 CYS H 1 46 ASP H 5.000 . 5.000 4.654 4.643 4.662 . 0 0 "[ . 1 . 2]" 1
387 1 45 CYS H 1 48 CYS H 5.000 . 5.000 4.594 4.531 4.644 . 0 0 "[ . 1 . 2]" 1
388 1 45 CYS H 1 49 ASN HA 4.000 . 4.000 3.934 3.869 3.999 . 0 0 "[ . 1 . 2]" 1
389 1 45 CYS H 1 49 ASN H 5.000 . 5.000 5.076 5.040 5.098 0.098 16 0 "[ . 1 . 2]" 1
390 1 45 CYS H 1 50 LEU HA 5.000 . 5.000 4.686 4.571 4.830 . 0 0 "[ . 1 . 2]" 1
391 1 45 CYS H 1 50 LEU HB3 4.000 . 4.000 3.225 3.076 3.598 . 0 0 "[ . 1 . 2]" 1
392 1 45 CYS H 1 50 LEU H 4.000 . 4.000 3.342 3.131 3.560 . 0 0 "[ . 1 . 2]" 1
393 1 45 CYS H 1 51 ALA HA 4.000 . 4.000 4.057 4.037 4.077 0.077 12 0 "[ . 1 . 2]" 1
394 1 45 CYS H 1 51 ALA MB 5.000 . 5.000 4.671 4.556 4.749 . 0 0 "[ . 1 . 2]" 1
395 1 45 CYS HA 1 46 ASP H 2.500 . 2.500 2.293 2.262 2.320 . 0 0 "[ . 1 . 2]" 1
396 1 45 CYS HB3 1 46 ASP H 4.500 . 4.500 3.638 3.568 3.752 . 0 0 "[ . 1 . 2]" 1
397 1 45 CYS HB2 1 46 ASP H 4.500 . 4.500 4.066 4.002 4.107 . 0 0 "[ . 1 . 2]" 1
398 1 46 ASP H 1 47 MET H 3.000 . 3.000 2.468 2.374 2.525 . 0 0 "[ . 1 . 2]" 1
399 1 46 ASP H 1 48 CYS H 4.500 . 4.500 3.770 3.702 3.863 . 0 0 "[ . 1 . 2]" 1
400 1 46 ASP H 1 67 TRP HB3 4.000 . 4.000 3.089 2.925 3.314 . 0 0 "[ . 1 . 2]" 1
401 1 46 ASP H 1 67 TRP H 4.000 . 4.000 3.458 3.258 3.604 . 0 0 "[ . 1 . 2]" 1
402 1 46 ASP H 1 68 LEU HA 4.000 . 4.000 3.600 3.264 3.657 . 0 0 "[ . 1 . 2]" 1
403 1 46 ASP H 1 68 LEU MD1 . . 4.000 3.982 3.890 4.022 0.022 13 0 "[ . 1 . 2]" 1
404 1 46 ASP H 1 68 LEU MD2 5.000 . 5.000 3.350 3.149 3.568 . 0 0 "[ . 1 . 2]" 1
405 1 45 CYS HA 1 47 MET H 4.000 . 4.000 3.980 3.907 4.007 0.007 4 0 "[ . 1 . 2]" 1
406 1 45 CYS HB3 1 47 MET H 4.000 . 4.000 3.131 3.077 3.165 . 0 0 "[ . 1 . 2]" 1
407 1 46 ASP HA 1 47 MET H 4.000 . 4.000 3.421 3.381 3.441 . 0 0 "[ . 1 . 2]" 1
408 1 47 MET H 1 48 CYS HA 5.000 . 5.000 4.566 4.548 4.590 . 0 0 "[ . 1 . 2]" 1
409 1 47 MET H 1 48 CYS HB3 5.000 . 5.000 5.217 5.209 5.226 0.226 10 0 "[ . 1 . 2]" 1
410 1 47 MET H 1 48 CYS H 2.500 . 2.500 1.981 1.947 2.006 . 0 0 "[ . 1 . 2]" 1
411 1 47 MET H 1 68 LEU HA . . 4.000 3.997 3.955 4.074 0.074 10 0 "[ . 1 . 2]" 1
412 1 47 MET H 1 68 LEU MD1 . . 4.000 3.278 3.133 3.652 . 0 0 "[ . 1 . 2]" 1
413 1 47 MET H 1 68 LEU MD2 5.000 . 5.000 3.907 3.706 4.379 . 0 0 "[ . 1 . 2]" 1
414 1 45 CYS HA 1 48 CYS H 5.000 . 5.000 4.401 4.369 4.442 . 0 0 "[ . 1 . 2]" 1
415 1 45 CYS HB3 1 48 CYS H 3.000 . 3.000 2.258 2.188 2.324 . 0 0 "[ . 1 . 2]" 1
416 1 45 CYS HB2 1 48 CYS H 5.000 . 5.000 3.977 3.922 4.024 . 0 0 "[ . 1 . 2]" 1
417 1 46 ASP HA 1 48 CYS H 5.000 . 5.000 4.025 3.944 4.066 . 0 0 "[ . 1 . 2]" 1
418 1 47 MET HA 1 48 CYS H 4.000 . 4.000 3.120 3.112 3.129 . 0 0 "[ . 1 . 2]" 1
419 1 47 MET HB3 1 48 CYS H 5.000 . 5.000 4.001 3.826 4.442 . 0 0 "[ . 1 . 2]" 1
420 1 48 CYS H 1 48 CYS HA 3.000 . 3.000 2.899 2.891 2.903 . 0 0 "[ . 1 . 2]" 1
421 1 48 CYS H 1 48 CYS HB3 4.000 . 4.000 3.892 3.883 3.907 . 0 0 "[ . 1 . 2]" 1
422 1 48 CYS H 1 49 ASN HA 5.000 . 5.000 4.720 4.698 4.748 . 0 0 "[ . 1 . 2]" 1
423 1 48 CYS H 1 49 ASN H 5.000 . 5.000 4.323 4.307 4.340 . 0 0 "[ . 1 . 2]" 1
424 1 48 CYS HA 1 49 ASN H 4.000 . 4.000 2.667 2.634 2.696 . 0 0 "[ . 1 . 2]" 1
425 1 48 CYS HB3 1 49 ASN H 4.000 . 4.000 2.039 1.950 2.127 . 0 0 "[ . 1 . 2]" 1
426 1 48 CYS HB2 1 49 ASN H 3.000 . 3.000 2.957 2.875 3.012 0.012 3 0 "[ . 1 . 2]" 1
427 1 49 ASN H 1 49 ASN HD21 5.000 . 5.000 3.693 2.296 4.979 . 0 0 "[ . 1 . 2]" 1
428 1 49 ASN H 1 50 LEU HA 5.000 . 5.000 4.444 4.417 4.470 . 0 0 "[ . 1 . 2]" 1
429 1 49 ASN H 1 50 LEU HB3 5.000 . 5.000 4.834 4.637 5.061 0.061 2 0 "[ . 1 . 2]" 1
430 1 49 ASN H 1 50 LEU H . . 4.000 2.307 2.174 2.441 . 0 0 "[ . 1 . 2]" 1
431 1 45 CYS HB3 1 50 LEU H 5.000 . 5.000 2.899 2.779 3.099 . 0 0 "[ . 1 . 2]" 1
432 1 45 CYS HB2 1 50 LEU H 4.000 . 4.000 2.905 2.722 3.106 . 0 0 "[ . 1 . 2]" 1
433 1 48 CYS H 1 50 LEU H 5.000 . 5.000 4.535 4.429 4.670 . 0 0 "[ . 1 . 2]" 1
434 1 49 ASN HA 1 50 LEU H 4.000 . 4.000 3.177 3.084 3.248 . 0 0 "[ . 1 . 2]" 1
435 1 50 LEU H 1 50 LEU MD1 5.000 . 5.000 4.150 4.025 4.271 . 0 0 "[ . 1 . 2]" 1
436 1 50 LEU H 1 50 LEU MD2 5.000 . 5.000 4.034 3.508 4.245 . 0 0 "[ . 1 . 2]" 1
437 1 29 SER H 1 51 ALA H 5.500 . 5.500 5.044 4.767 5.228 . 0 0 "[ . 1 . 2]" 1
438 1 44 PHE HA 1 51 ALA H 5.000 . 5.000 4.622 4.491 4.767 . 0 0 "[ . 1 . 2]" 1
439 1 45 CYS H 1 51 ALA H 6.000 . 6.000 4.972 4.876 5.085 . 0 0 "[ . 1 . 2]" 1
440 1 50 LEU HA 1 51 ALA H 5.000 . 5.000 2.175 2.135 2.210 . 0 0 "[ . 1 . 2]" 1
441 1 50 LEU HB2 1 51 ALA H 5.000 . 5.000 4.500 4.429 4.565 . 0 0 "[ . 1 . 2]" 1
442 1 50 LEU HG 1 51 ALA H 5.000 . 5.000 4.019 3.380 5.040 0.040 20 0 "[ . 1 . 2]" 1
443 1 50 LEU H 1 51 ALA H 5.000 . 5.000 4.281 4.200 4.385 . 0 0 "[ . 1 . 2]" 1
444 1 42 ILE HA 1 52 VAL H 5.000 . 5.000 4.588 4.388 4.779 . 0 0 "[ . 1 . 2]" 1
445 1 42 ILE MD 1 52 VAL H 4.000 . 4.000 3.953 3.652 4.031 0.031 6 0 "[ . 1 . 2]" 1
446 1 42 ILE QG 1 52 VAL H 4.000 . 4.000 3.040 2.790 3.209 . 0 0 "[ . 1 . 2]" 1
447 1 43 LEU HB2 1 52 VAL H 5.000 . 5.000 3.102 3.026 3.162 . 0 0 "[ . 1 . 2]" 1
448 1 43 LEU HG 1 52 VAL H 5.000 . 5.000 5.033 5.019 5.050 0.050 17 0 "[ . 1 . 2]" 1
449 1 44 PHE HA 1 52 VAL H 4.000 . 4.000 4.013 3.989 4.030 0.030 2 0 "[ . 1 . 2]" 1
450 1 51 ALA HA 1 52 VAL H 5.000 . 5.000 2.189 2.166 2.211 . 0 0 "[ . 1 . 2]" 1
451 1 51 ALA MB 1 52 VAL H 5.000 . 5.000 3.427 3.347 3.492 . 0 0 "[ . 1 . 2]" 1
452 1 51 ALA H 1 52 VAL H 5.000 . 5.000 4.217 4.163 4.263 . 0 0 "[ . 1 . 2]" 1
453 1 52 VAL H 1 53 HIS H 5.000 . 5.000 4.288 4.273 4.324 . 0 0 "[ . 1 . 2]" 1
454 1 28 CYS HA 1 53 HIS H 4.000 . 4.000 3.936 3.909 4.003 0.003 17 0 "[ . 1 . 2]" 1
455 1 28 CYS HB3 1 53 HIS H 5.000 . 5.000 4.355 4.300 4.412 . 0 0 "[ . 1 . 2]" 1
456 1 28 CYS HB2 1 53 HIS H 4.000 . 4.000 2.984 2.892 3.048 . 0 0 "[ . 1 . 2]" 1
457 1 30 ILE HB 1 53 HIS H 5.000 . 5.000 4.311 4.244 4.396 . 0 0 "[ . 1 . 2]" 1
458 1 30 ILE MD 1 53 HIS H 5.000 . 5.000 3.719 3.586 3.851 . 0 0 "[ . 1 . 2]" 1
459 1 42 ILE MD 1 53 HIS H 5.000 . 5.000 3.427 3.134 3.735 . 0 0 "[ . 1 . 2]" 1
460 1 42 ILE HG13 1 53 HIS H 6.000 . 6.000 3.643 3.336 4.229 . 0 0 "[ . 1 . 2]" 1
461 1 42 ILE HG12 1 53 HIS H 6.000 . 6.000 5.276 5.032 5.635 . 0 0 "[ . 1 . 2]" 1
462 1 52 VAL HA 1 53 HIS H 5.000 . 5.000 2.212 2.200 2.227 . 0 0 "[ . 1 . 2]" 1
463 1 52 VAL HB 1 53 HIS H 5.000 . 5.000 3.116 3.022 3.152 . 0 0 "[ . 1 . 2]" 1
464 1 52 VAL QG 1 53 HIS H 5.000 . 5.000 3.478 3.429 3.499 . 0 0 "[ . 1 . 2]" 1
465 1 53 HIS H 1 53 HIS HD2 5.000 . 5.000 4.326 4.258 4.379 . 0 0 "[ . 1 . 2]" 1
466 1 53 HIS H 1 54 GLN H 5.000 . 5.000 4.651 4.634 4.665 . 0 0 "[ . 1 . 2]" 1
467 1 53 HIS H 1 56 CYS HB3 5.000 . 5.000 3.336 3.228 3.420 . 0 0 "[ . 1 . 2]" 1
468 1 53 HIS H 1 56 CYS HB2 5.000 . 5.000 2.710 2.623 2.796 . 0 0 "[ . 1 . 2]" 1
469 1 53 HIS H 1 56 CYS H 5.000 . 5.000 4.153 4.102 4.208 . 0 0 "[ . 1 . 2]" 1
470 1 41 VAL MG2 1 54 GLN HE22 5.000 . 5.000 4.431 3.826 4.825 . 0 0 "[ . 1 . 2]" 1
471 1 41 VAL MG2 1 54 GLN H 4.000 . 4.000 2.563 2.388 2.738 . 0 0 "[ . 1 . 2]" 1
472 1 42 ILE HA 1 54 GLN H 4.000 . 4.000 3.785 3.669 3.978 . 0 0 "[ . 1 . 2]" 1
473 1 43 LEU MD1 1 54 GLN H 4.000 . 4.000 2.896 2.490 3.164 . 0 0 "[ . 1 . 2]" 1
474 1 43 LEU HG 1 54 GLN H 3.000 . 3.000 2.916 2.809 3.018 0.018 18 0 "[ . 1 . 2]" 1
475 1 53 HIS HA 1 54 GLN H 5.000 . 5.000 2.258 2.234 2.283 . 0 0 "[ . 1 . 2]" 1
476 1 54 GLN H 1 55 GLU H 5.000 . 5.000 2.656 2.629 2.680 . 0 0 "[ . 1 . 2]" 1
477 1 54 GLN HE21 1 61 TYR HA 5.000 . 5.000 4.468 3.738 4.983 . 0 0 "[ . 1 . 2]" 1
478 1 54 GLN HE22 1 61 TYR HA 5.000 . 5.000 4.110 3.008 4.741 . 0 0 "[ . 1 . 2]" 1
479 1 54 GLN HE21 1 62 ILE H 5.000 . 5.000 4.652 4.151 4.971 . 0 0 "[ . 1 . 2]" 1
480 1 54 GLN HE22 1 62 ILE H 5.000 . 5.000 4.938 4.532 5.022 0.022 7 0 "[ . 1 . 2]" 1
481 1 53 HIS HA 1 55 GLU H 4.000 . 4.000 3.831 3.791 3.889 . 0 0 "[ . 1 . 2]" 1
482 1 53 HIS HB3 1 55 GLU H 3.000 . 3.000 2.602 2.561 2.638 . 0 0 "[ . 1 . 2]" 1
483 1 53 HIS HB2 1 55 GLU H 4.000 . 4.000 3.106 3.077 3.143 . 0 0 "[ . 1 . 2]" 1
484 1 54 GLN HA 1 55 GLU H 5.000 . 5.000 3.426 3.418 3.441 . 0 0 "[ . 1 . 2]" 1
485 1 54 GLN HB2 1 55 GLU H 5.000 . 5.000 4.121 3.925 4.178 . 0 0 "[ . 1 . 2]" 1
486 1 55 GLU H 1 56 CYS HB3 5.000 . 5.000 5.208 5.183 5.230 0.230 12 0 "[ . 1 . 2]" 1
487 1 55 GLU H 1 56 CYS H 5.000 . 5.000 2.125 2.115 2.137 . 0 0 "[ . 1 . 2]" 1
488 1 30 ILE MG 1 56 CYS H 5.000 . 5.000 4.852 4.778 4.906 . 0 0 "[ . 1 . 2]" 1
489 1 53 HIS HA 1 56 CYS H 5.000 . 5.000 4.245 4.234 4.260 . 0 0 "[ . 1 . 2]" 1
490 1 53 HIS HB3 1 56 CYS H 4.000 . 4.000 3.081 3.043 3.146 . 0 0 "[ . 1 . 2]" 1
491 1 53 HIS HB2 1 56 CYS H 3.000 . 3.000 2.249 2.213 2.290 . 0 0 "[ . 1 . 2]" 1
492 1 54 GLN HA 1 56 CYS H 5.000 . 5.000 4.112 4.050 4.170 . 0 0 "[ . 1 . 2]" 1
493 1 54 GLN H 1 56 CYS H 5.000 . 5.000 4.013 3.984 4.046 . 0 0 "[ . 1 . 2]" 1
494 1 55 GLU HB3 1 56 CYS H 5.000 . 5.000 3.405 2.892 4.150 . 0 0 "[ . 1 . 2]" 1
495 1 56 CYS H 1 57 TYR HA 5.000 . 5.000 5.082 5.060 5.094 0.094 20 0 "[ . 1 . 2]" 1
496 1 56 CYS H 1 57 TYR H 5.000 . 5.000 2.432 2.404 2.447 . 0 0 "[ . 1 . 2]" 1
497 1 30 ILE MD 1 57 TYR H 4.000 . 4.000 3.283 3.036 3.539 . 0 0 "[ . 1 . 2]" 1
498 1 52 VAL HB 1 57 TYR H 4.000 . 4.000 3.776 3.441 3.970 . 0 0 "[ . 1 . 2]" 1
499 1 52 VAL QG 1 57 TYR H 5.000 . 5.000 3.887 3.679 4.037 . 0 0 "[ . 1 . 2]" 1
500 1 53 HIS HB3 1 57 TYR H 5.000 . 5.000 4.995 4.929 5.014 0.014 3 0 "[ . 1 . 2]" 1
501 1 53 HIS H 1 57 TYR H 5.000 . 5.000 4.533 4.337 4.623 . 0 0 "[ . 1 . 2]" 1
502 1 54 GLN HA 1 57 TYR H 4.000 . 4.000 3.477 3.441 3.528 . 0 0 "[ . 1 . 2]" 1
503 1 55 GLU HA 1 57 TYR H 5.000 . 5.000 4.422 4.270 4.553 . 0 0 "[ . 1 . 2]" 1
504 1 55 GLU H 1 57 TYR H 4.500 . 4.500 3.799 3.720 3.866 . 0 0 "[ . 1 . 2]" 1
505 1 56 CYS HA 1 57 TYR H 5.000 . 5.000 3.535 3.520 3.546 . 0 0 "[ . 1 . 2]" 1
506 1 56 CYS HB2 1 57 TYR H 5.000 . 5.000 3.053 2.987 3.109 . 0 0 "[ . 1 . 2]" 1
507 1 57 TYR H 1 57 TYR QD 5.000 . 5.000 4.168 4.082 4.227 . 0 0 "[ . 1 . 2]" 1
508 1 54 GLN HA 1 58 GLY H 4.000 . 4.000 3.747 3.468 3.848 . 0 0 "[ . 1 . 2]" 1
509 1 55 GLU HA 1 58 GLY H 4.000 . 4.000 3.477 3.348 3.612 . 0 0 "[ . 1 . 2]" 1
510 1 55 GLU H 1 58 GLY H 5.000 . 5.000 4.393 4.333 4.438 . 0 0 "[ . 1 . 2]" 1
511 1 56 CYS HA 1 58 GLY H 5.000 . 5.000 4.498 4.358 4.737 . 0 0 "[ . 1 . 2]" 1
512 1 56 CYS H 1 58 GLY H 4.000 . 4.000 3.733 3.641 3.863 . 0 0 "[ . 1 . 2]" 1
513 1 57 TYR HA 1 58 GLY H 5.000 . 5.000 3.502 3.479 3.534 . 0 0 "[ . 1 . 2]" 1
514 1 57 TYR HB3 1 58 GLY H 5.000 . 5.000 2.894 2.716 3.016 . 0 0 "[ . 1 . 2]" 1
515 1 57 TYR QD 1 58 GLY H 5.000 . 5.000 4.246 3.923 4.529 . 0 0 "[ . 1 . 2]" 1
516 1 58 GLY H 1 59 VAL HB 5.000 . 5.000 4.635 4.434 4.762 . 0 0 "[ . 1 . 2]" 1
517 1 58 GLY H 1 59 VAL MG1 6.000 . 6.000 5.539 5.435 5.601 . 0 0 "[ . 1 . 2]" 1
518 1 58 GLY H 1 59 VAL MG2 5.000 . 5.000 3.298 3.137 3.431 . 0 0 "[ . 1 . 2]" 1
519 1 58 GLY H 1 59 VAL H 5.000 . 5.000 2.244 2.122 2.357 . 0 0 "[ . 1 . 2]" 1
520 1 54 GLN HA 1 59 VAL H 4.000 . 4.000 3.183 2.912 3.357 . 0 0 "[ . 1 . 2]" 1
521 1 54 GLN HB3 1 59 VAL H 5.000 . 5.000 4.862 4.492 4.972 . 0 0 "[ . 1 . 2]" 1
522 1 54 GLN HB2 1 59 VAL H 4.000 . 4.000 3.580 3.383 3.669 . 0 0 "[ . 1 . 2]" 1
523 1 55 GLU HA 1 59 VAL H 5.000 . 5.000 4.064 3.802 4.384 . 0 0 "[ . 1 . 2]" 1
524 1 57 TYR HB3 1 59 VAL H 4.000 . 4.000 3.208 3.085 3.423 . 0 0 "[ . 1 . 2]" 1
525 1 57 TYR HB2 1 59 VAL H 5.000 . 5.000 4.732 4.506 4.951 . 0 0 "[ . 1 . 2]" 1
526 1 58 GLY HA3 1 59 VAL H 5.000 . 5.000 3.532 3.516 3.560 . 0 0 "[ . 1 . 2]" 1
527 1 58 GLY HA2 1 59 VAL H 5.000 . 5.000 2.873 2.750 2.928 . 0 0 "[ . 1 . 2]" 1
528 1 59 VAL HA 1 61 TYR H 5.000 . 5.000 4.179 3.850 4.452 . 0 0 "[ . 1 . 2]" 1
529 1 59 VAL MG1 1 61 TYR H . . 4.000 2.278 1.971 2.643 . 0 0 "[ . 1 . 2]" 1
530 1 60 PRO HA 1 61 TYR H 5.000 . 5.000 3.576 3.562 3.585 . 0 0 "[ . 1 . 2]" 1
531 1 60 PRO HD3 1 61 TYR H 5.000 . 5.000 3.954 3.814 4.048 . 0 0 "[ . 1 . 2]" 1
532 1 60 PRO HD2 1 61 TYR H 3.000 . 3.000 2.835 2.570 3.027 0.027 3 0 "[ . 1 . 2]" 1
533 1 60 PRO HG2 1 61 TYR H 3.000 . 3.000 2.150 2.059 2.262 . 0 0 "[ . 1 . 2]" 1
534 1 61 TYR H 1 61 TYR HD1 5.000 . 5.000 4.278 2.156 5.023 0.023 11 0 "[ . 1 . 2]" 1
535 1 61 TYR H 1 61 TYR HD2 5.000 . 5.000 4.760 3.127 5.017 0.017 5 0 "[ . 1 . 2]" 1
536 1 61 TYR H 1 62 ILE HA 5.000 . 5.000 4.725 4.638 4.901 . 0 0 "[ . 1 . 2]" 1
537 1 61 TYR H 1 62 ILE H 5.000 . 5.000 4.374 4.305 4.455 . 0 0 "[ . 1 . 2]" 1
538 1 61 TYR HA 1 62 ILE H 5.000 . 5.000 2.431 2.189 2.715 . 0 0 "[ . 1 . 2]" 1
539 1 61 TYR HB3 1 62 ILE H 5.000 . 5.000 3.433 2.136 4.048 . 0 0 "[ . 1 . 2]" 1
540 1 61 TYR HB2 1 62 ILE H 5.000 . 5.000 3.422 1.960 4.334 . 0 0 "[ . 1 . 2]" 1
541 1 61 TYR HD1 1 62 ILE H 5.000 . 5.000 3.529 2.006 5.048 0.048 2 0 "[ . 1 . 2]" 1
542 1 61 TYR HD2 1 62 ILE H 5.000 . 5.000 4.151 2.637 5.052 0.052 10 0 "[ . 1 . 2]" 1
543 1 63 PRO HA 1 64 GLU H 5.000 . 5.000 2.305 2.220 2.467 . 0 0 "[ . 1 . 2]" 1
544 1 64 GLU H 1 64 GLU QG 5.000 . 5.000 3.382 2.314 4.104 . 0 0 "[ . 1 . 2]" 1
545 1 64 GLU H 1 65 GLY HA3 5.000 . 5.000 4.521 4.372 4.601 . 0 0 "[ . 1 . 2]" 1
546 1 64 GLU H 1 65 GLY HA2 5.000 . 5.000 4.985 4.800 5.056 0.056 17 0 "[ . 1 . 2]" 1
547 1 64 GLU H 1 65 GLY H 3.000 . 3.000 2.812 2.276 2.987 . 0 0 "[ . 1 . 2]" 1
548 1 63 PRO HA 1 65 GLY H 5.000 . 5.000 4.123 3.977 4.322 . 0 0 "[ . 1 . 2]" 1
549 1 63 PRO HB3 1 65 GLY H 5.000 . 5.000 3.785 3.381 4.323 . 0 0 "[ . 1 . 2]" 1
550 1 63 PRO HB2 1 65 GLY H 4.000 . 4.000 2.594 2.386 3.735 . 0 0 "[ . 1 . 2]" 1
551 1 64 GLU HA 1 65 GLY H 5.000 . 5.000 2.948 2.825 3.531 . 0 0 "[ . 1 . 2]" 1
552 1 64 GLU QB 1 65 GLY H 5.000 . 5.000 3.777 2.869 4.059 . 0 0 "[ . 1 . 2]" 1
553 1 64 GLU QG 1 65 GLY H 5.000 . 5.000 4.585 3.806 4.843 . 0 0 "[ . 1 . 2]" 1
554 1 65 GLY H 1 66 GLN H 4.000 . 4.000 3.854 3.614 4.015 0.015 10 0 "[ . 1 . 2]" 1
555 1 65 GLY QA 1 66 GLN H 5.000 . 5.000 2.128 2.115 2.149 . 0 0 "[ . 1 . 2]" 1
556 1 66 GLN H 1 66 GLN HG3 5.000 . 5.000 3.192 2.607 4.084 . 0 0 "[ . 1 . 2]" 1
557 1 66 GLN H 1 67 TRP H 5.000 . 5.000 4.556 4.461 4.597 . 0 0 "[ . 1 . 2]" 1
558 1 46 ASP HA 1 67 TRP H 5.000 . 5.000 4.571 4.245 4.770 . 0 0 "[ . 1 . 2]" 1
559 1 46 ASP HB3 1 67 TRP H 4.000 . 4.000 3.616 3.365 3.973 . 0 0 "[ . 1 . 2]" 1
560 1 46 ASP HB2 1 67 TRP H 4.000 . 4.000 2.215 1.946 2.555 . 0 0 "[ . 1 . 2]" 1
561 1 59 VAL MG1 1 67 TRP HE1 4.000 . 4.000 3.803 3.014 4.015 0.015 8 0 "[ . 1 . 2]" 1
562 1 59 VAL MG2 1 67 TRP HE1 4.000 . 4.000 3.701 3.122 4.006 0.006 18 0 "[ . 1 . 2]" 1
563 1 66 GLN HA 1 67 TRP H 5.000 . 5.000 2.257 2.167 2.337 . 0 0 "[ . 1 . 2]" 1
564 1 66 GLN QB 1 67 TRP H 5.000 . 5.000 2.818 2.523 3.131 . 0 0 "[ . 1 . 2]" 1
565 1 66 GLN HE21 1 67 TRP H 5.000 . 5.000 4.629 3.895 5.031 0.031 13 0 "[ . 1 . 2]" 1
566 1 66 GLN HG2 1 67 TRP H 5.000 . 5.000 4.187 3.071 4.858 . 0 0 "[ . 1 . 2]" 1
567 1 67 TRP H 1 67 TRP HD1 5.000 . 5.000 4.928 4.821 5.020 0.020 13 0 "[ . 1 . 2]" 1
568 1 67 TRP HE1 1 68 LEU H 5.000 . 5.000 4.969 4.551 5.032 0.032 11 0 "[ . 1 . 2]" 1
569 1 67 TRP H 1 68 LEU H 5.000 . 5.000 4.232 4.147 4.479 . 0 0 "[ . 1 . 2]" 1
570 1 67 TRP HE1 1 69 CYS HA 6.000 . 6.000 4.800 4.441 5.899 . 0 0 "[ . 1 . 2]" 1
571 1 67 TRP HA 1 68 LEU H 5.000 . 5.000 2.146 2.136 2.172 . 0 0 "[ . 1 . 2]" 1
572 1 67 TRP HB3 1 68 LEU H 5.000 . 5.000 4.238 3.944 4.314 . 0 0 "[ . 1 . 2]" 1
573 1 67 TRP HB2 1 68 LEU H 5.000 . 5.000 4.461 4.271 4.505 . 0 0 "[ . 1 . 2]" 1
574 1 67 TRP HD1 1 68 LEU H 5.000 . 5.000 3.313 3.215 3.492 . 0 0 "[ . 1 . 2]" 1
575 1 68 LEU H 1 68 LEU HG 5.000 . 5.000 4.208 4.150 4.301 . 0 0 "[ . 1 . 2]" 1
576 1 68 LEU H 1 69 CYS HA 5.000 . 5.000 4.846 4.778 4.971 . 0 0 "[ . 1 . 2]" 1
577 1 68 LEU H 1 69 CYS H 5.000 . 5.000 4.170 4.081 4.478 . 0 0 "[ . 1 . 2]" 1
578 1 68 LEU H 1 73 LEU MD2 5.000 . 5.000 4.351 4.226 4.747 . 0 0 "[ . 1 . 2]" 1
579 1 45 CYS HA 1 69 CYS H 5.000 . 5.000 4.308 4.119 4.456 . 0 0 "[ . 1 . 2]" 1
580 1 45 CYS HB3 1 69 CYS H 5.000 . 5.000 4.553 4.421 4.686 . 0 0 "[ . 1 . 2]" 1
581 1 45 CYS HB2 1 69 CYS H 5.000 . 5.000 3.805 3.512 3.966 . 0 0 "[ . 1 . 2]" 1
582 1 46 ASP H 1 69 CYS H 5.000 . 5.000 4.523 4.429 4.681 . 0 0 "[ . 1 . 2]" 1
583 1 68 LEU HA 1 69 CYS H 5.000 . 5.000 2.180 2.164 2.259 . 0 0 "[ . 1 . 2]" 1
584 1 68 LEU HB3 1 69 CYS H 5.000 . 5.000 3.652 2.910 3.757 . 0 0 "[ . 1 . 2]" 1
585 1 68 LEU HB2 1 69 CYS H 5.000 . 5.000 4.434 4.095 4.478 . 0 0 "[ . 1 . 2]" 1
586 1 69 CYS HA 1 70 ARG H 5.000 . 5.000 2.393 2.355 2.501 . 0 0 "[ . 1 . 2]" 1
587 1 69 CYS HB3 1 70 ARG H 5.000 . 5.000 3.821 3.680 3.897 . 0 0 "[ . 1 . 2]" 1
588 1 69 CYS HB2 1 70 ARG H 5.000 . 5.000 2.479 2.279 2.585 . 0 0 "[ . 1 . 2]" 1
589 1 69 CYS H 1 70 ARG H 5.000 . 5.000 4.628 4.586 4.647 . 0 0 "[ . 1 . 2]" 1
590 1 70 ARG H 1 70 ARG HD3 5.000 . 5.000 4.397 2.598 5.052 0.052 11 0 "[ . 1 . 2]" 1
591 1 70 ARG H 1 71 HIS H 5.000 . 5.000 2.927 2.710 2.993 . 0 0 "[ . 1 . 2]" 1
592 1 70 ARG H 1 73 LEU MD2 5.000 . 5.000 2.935 2.806 3.618 . 0 0 "[ . 1 . 2]" 1
593 1 69 CYS HB2 1 71 HIS H 5.000 . 5.000 3.085 2.871 3.191 . 0 0 "[ . 1 . 2]" 1
594 1 70 ARG HA 1 71 HIS H 5.000 . 5.000 3.506 3.466 3.531 . 0 0 "[ . 1 . 2]" 1
595 1 70 ARG QB 1 71 HIS H 5.000 . 5.000 3.024 2.877 3.634 . 0 0 "[ . 1 . 2]" 1
596 1 71 HIS H 1 72 CYS HB3 5.000 . 5.000 5.155 5.137 5.181 0.181 10 0 "[ . 1 . 2]" 1
597 1 71 HIS H 1 72 CYS H 5.000 . 5.000 2.543 2.148 2.613 . 0 0 "[ . 1 . 2]" 1
598 1 71 HIS H 1 73 LEU QD 5.000 . 5.000 4.156 4.133 4.216 . 0 0 "[ . 1 . 2]" 1
599 1 71 HIS H 1 74 GLN QB 5.000 . 5.000 4.661 4.610 4.760 . 0 0 "[ . 1 . 2]" 1
600 1 71 HIS H 1 74 GLN H 5.000 . 5.000 4.560 4.507 4.612 . 0 0 "[ . 1 . 2]" 1
601 1 68 LEU HA 1 72 CYS H 6.000 . 6.000 5.143 5.052 5.488 . 0 0 "[ . 1 . 2]" 1
602 1 68 LEU HB3 1 72 CYS H 5.000 . 5.000 4.496 4.433 4.517 . 0 0 "[ . 1 . 2]" 1
603 1 68 LEU HB2 1 72 CYS H 6.000 . 6.000 6.077 6.025 6.094 0.094 4 0 "[ . 1 . 2]" 1
604 1 70 ARG HA 1 72 CYS H 5.000 . 5.000 4.596 4.202 4.691 . 0 0 "[ . 1 . 2]" 1
605 1 70 ARG QB 1 72 CYS H 5.000 . 5.000 5.038 5.025 5.052 0.052 9 0 "[ . 1 . 2]" 1
606 1 71 HIS HA 1 72 CYS H 5.000 . 5.000 3.543 3.444 3.554 . 0 0 "[ . 1 . 2]" 1
607 1 71 HIS QB 1 72 CYS H 5.000 . 5.000 2.542 2.437 2.828 . 0 0 "[ . 1 . 2]" 1
608 1 72 CYS H 1 73 LEU HG 5.000 . 5.000 4.157 3.813 4.345 . 0 0 "[ . 1 . 2]" 1
609 1 72 CYS H 1 73 LEU H 5.000 . 5.000 2.528 2.508 2.740 . 0 0 "[ . 1 . 2]" 1
610 1 72 CYS H 1 74 GLN H . . 4.000 3.732 3.692 3.889 . 0 0 "[ . 1 . 2]" 1
611 1 68 LEU HA 1 73 LEU H 5.000 . 5.000 4.413 4.301 5.034 0.034 10 0 "[ . 1 . 2]" 1
612 1 68 LEU HB3 1 73 LEU H 5.000 . 5.000 2.669 2.583 2.864 . 0 0 "[ . 1 . 2]" 1
613 1 70 ARG HA 1 73 LEU H 4.000 . 4.000 3.856 3.757 3.926 . 0 0 "[ . 1 . 2]" 1
614 1 71 HIS HA 1 73 LEU H 5.000 2.800 5.000 4.970 4.888 5.001 0.001 13 0 "[ . 1 . 2]" 1
615 1 72 CYS HB2 1 73 LEU H 5.000 . 5.000 3.554 2.784 3.694 . 0 0 "[ . 1 . 2]" 1
616 1 73 LEU H 1 73 LEU QD 5.000 . 5.000 3.148 2.817 3.189 . 0 0 "[ . 1 . 2]" 1
617 1 73 LEU H 1 73 LEU HG 5.000 . 5.000 2.516 2.093 2.707 . 0 0 "[ . 1 . 2]" 1
618 1 73 LEU H 1 74 GLN H 5.000 . 5.000 2.647 2.630 2.741 . 0 0 "[ . 1 . 2]" 1
619 1 73 LEU H 1 75 SER H 5.000 . 5.000 4.164 4.070 4.258 . 0 0 "[ . 1 . 2]" 1
620 1 70 ARG HA 1 74 GLN H 4.500 . 4.500 3.800 3.714 3.906 . 0 0 "[ . 1 . 2]" 1
621 1 71 HIS HA 1 74 GLN H 4.000 . 4.000 3.980 3.653 4.010 0.010 11 0 "[ . 1 . 2]" 1
622 1 72 CYS HA 1 74 GLN H 5.000 . 5.000 3.860 3.766 4.540 . 0 0 "[ . 1 . 2]" 1
623 1 72 CYS HB2 1 74 GLN H 5.000 . 5.000 5.128 5.010 5.156 0.156 17 0 "[ . 1 . 2]" 1
624 1 73 LEU HA 1 74 GLN H 5.000 . 5.000 3.466 3.455 3.550 . 0 0 "[ . 1 . 2]" 1
625 1 73 LEU QD 1 74 GLN H 5.000 . 5.000 2.732 2.443 3.039 . 0 0 "[ . 1 . 2]" 1
626 1 73 LEU HG 1 74 GLN H 5.000 . 5.000 2.493 2.149 2.591 . 0 0 "[ . 1 . 2]" 1
627 1 74 GLN H 1 74 GLN QG 5.000 . 5.000 3.869 3.087 4.044 . 0 0 "[ . 1 . 2]" 1
628 1 74 GLN H 1 75 SER H 5.000 . 5.000 2.371 2.315 2.640 . 0 0 "[ . 1 . 2]" 1
629 1 71 HIS HA 1 75 SER H 4.500 . 4.500 4.457 4.246 4.538 0.038 17 0 "[ . 1 . 2]" 1
630 1 72 CYS HA 1 75 SER H 4.000 . 4.000 3.054 2.973 3.614 . 0 0 "[ . 1 . 2]" 1
631 1 72 CYS H 1 75 SER H 5.000 . 5.000 4.546 4.464 4.648 . 0 0 "[ . 1 . 2]" 1
632 1 73 LEU HA 1 75 SER H 5.000 . 5.000 4.405 4.039 4.501 . 0 0 "[ . 1 . 2]" 1
633 1 73 LEU QD 1 75 SER H 5.000 . 5.000 4.424 4.317 4.604 . 0 0 "[ . 1 . 2]" 1
634 1 74 GLN QB 1 75 SER H 5.000 . 5.000 2.660 2.565 2.822 . 0 0 "[ . 1 . 2]" 1
635 1 72 CYS HA 1 76 ARG H 4.500 . 4.500 4.252 4.025 4.470 . 0 0 "[ . 1 . 2]" 1
636 1 73 LEU HA 1 76 ARG H 4.000 . 4.000 3.671 3.396 3.855 . 0 0 "[ . 1 . 2]" 1
637 1 74 GLN HA 1 76 ARG H 5.000 . 5.000 4.289 4.013 4.839 . 0 0 "[ . 1 . 2]" 1
638 1 75 SER HA 1 76 ARG H 4.000 . 4.000 3.544 3.513 3.572 . 0 0 "[ . 1 . 2]" 1
639 1 75 SER QB 1 76 ARG H 5.000 . 5.000 2.609 2.339 2.828 . 0 0 "[ . 1 . 2]" 1
640 1 76 ARG H 1 76 ARG QD 5.000 . 5.000 4.241 3.571 4.621 . 0 0 "[ . 1 . 2]" 1
641 1 73 LEU HA 1 77 ALA H 4.500 . 4.500 4.202 3.619 4.447 . 0 0 "[ . 1 . 2]" 1
642 1 74 GLN HA 1 77 ALA H 4.000 . 4.000 3.160 2.995 3.727 . 0 0 "[ . 1 . 2]" 1
643 1 75 SER HA 1 77 ALA H 5.000 . 5.000 4.403 4.141 4.676 . 0 0 "[ . 1 . 2]" 1
644 1 76 ARG QD 1 77 ALA H 5.000 . 5.000 4.446 2.996 5.018 0.018 10 0 "[ . 1 . 2]" 1
645 1 76 ARG H 1 77 ALA H 5.000 . 5.000 2.387 2.204 2.598 . 0 0 "[ . 1 . 2]" 1
646 1 77 ALA HA 1 78 ARG H 5.000 . 5.000 3.493 3.411 3.573 . 0 0 "[ . 1 . 2]" 1
647 1 77 ALA MB 1 78 ARG H 5.000 . 5.000 2.856 2.508 3.113 . 0 0 "[ . 1 . 2]" 1
648 1 79 PRO HA 1 80 ALA H 5.000 . 5.000 2.653 2.155 3.580 . 0 0 "[ . 1 . 2]" 1
649 1 79 PRO HB3 1 80 ALA H 5.000 . 5.000 3.883 2.781 4.679 . 0 0 "[ . 1 . 2]" 1
650 1 79 PRO HB2 1 80 ALA H 5.000 . 5.000 3.499 2.326 4.376 . 0 0 "[ . 1 . 2]" 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 55
_Distance_constraint_stats_list.Viol_count 182
_Distance_constraint_stats_list.Viol_total 3246.655
_Distance_constraint_stats_list.Viol_max 1.984
_Distance_constraint_stats_list.Viol_rms 0.4272
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1476
_Distance_constraint_stats_list.Viol_average_violations_only 0.8919
_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 1 ALA 25.239 1.519 5 20 [**-*+***************]
1 2 ARG 92.004 1.984 1 20 [+*********-*********]
1 4 LYS 43.392 1.539 18 16 "[***** * *****.**+*-]"
1 6 THR 0.024 0.010 20 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASP 18.095 1.539 18 8 "[-**** 1 * . + *]"
1 25 ASP 25.297 1.537 18 14 "[** ** * ** **.**+*-]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.024 0.010 20 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 0.112 0.023 14 0 "[ . 1 . 2]"
1 45 CYS 0.107 0.038 16 0 "[ . 1 . 2]"
1 46 ASP 91.892 1.984 1 20 [+*********-*********]
1 50 LEU 0.107 0.038 16 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.017 0.011 14 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLY 0.017 0.011 14 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLY 25.239 1.519 5 20 [**-*+***************]
1 69 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 1.511 0.093 18 0 "[ . 1 . 2]"
1 71 HIS 0.012 0.007 17 0 "[ . 1 . 2]"
1 72 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.028 0.026 14 0 "[ . 1 . 2]"
1 74 GLN 1.511 0.093 18 0 "[ . 1 . 2]"
1 75 SER 0.012 0.007 17 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ALA 0.028 0.026 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA N 1 63 PRO O 2.800 2.400 3.300 2.934 2.665 3.237 . 0 0 "[ . 1 . 2]" 2
2 1 1 ALA H1 1 63 PRO O 1.800 . 2.500 2.216 1.915 2.438 . 0 0 "[ . 1 . 2]" 2
3 1 1 ALA N 1 65 GLY O 2.800 2.400 3.300 2.949 2.761 3.231 . 0 0 "[ . 1 . 2]" 2
4 1 1 ALA H1 1 65 GLY O 1.800 . 2.500 3.762 3.489 4.019 1.519 5 20 [**-*+***************] 2
5 1 2 ARG O 1 44 PHE N 2.800 2.400 3.300 3.292 3.225 3.323 0.023 14 0 "[ . 1 . 2]" 2
6 1 2 ARG O 1 44 PHE H 1.800 . 2.500 2.344 2.272 2.396 . 0 0 "[ . 1 . 2]" 2
7 1 4 LYS N 1 42 ILE O 2.800 2.400 3.300 2.941 2.690 3.086 . 0 0 "[ . 1 . 2]" 2
8 1 4 LYS H 1 42 ILE O 1.800 . 2.500 2.004 1.724 2.172 . 0 0 "[ . 1 . 2]" 2
9 1 4 LYS O 1 42 ILE N 2.800 2.400 3.300 2.892 2.774 3.034 . 0 0 "[ . 1 . 2]" 2
10 1 4 LYS O 1 42 ILE H 1.800 . 2.500 1.995 1.862 2.130 . 0 0 "[ . 1 . 2]" 2
11 1 6 THR N 1 40 ASN O 2.800 2.400 3.300 3.194 3.074 3.278 . 0 0 "[ . 1 . 2]" 2
12 1 6 THR H 1 40 ASN O 1.800 . 2.500 2.271 2.155 2.379 . 0 0 "[ . 1 . 2]" 2
13 1 6 THR O 1 40 ASN N 2.800 2.400 3.300 3.262 3.121 3.310 0.010 20 0 "[ . 1 . 2]" 2
14 1 6 THR O 1 40 ASN H 1.800 . 2.500 2.359 2.274 2.466 . 0 0 "[ . 1 . 2]" 2
15 1 8 ARG N 1 38 ASN O 2.800 2.400 3.300 2.891 2.681 3.174 . 0 0 "[ . 1 . 2]" 2
16 1 8 ARG H 1 38 ASN O 1.800 . 2.500 1.983 1.721 2.347 . 0 0 "[ . 1 . 2]" 2
17 1 4 LYS NZ 1 23 ASP OD2 2.800 2.400 3.300 3.561 2.717 4.839 1.539 18 8 "[-**** 1 * . + *]" 2
18 1 4 LYS QZ 1 23 ASP OD2 1.800 . 2.500 2.643 1.834 3.963 1.463 4 8 "[-**+* 1 * . * *]" 2
19 1 4 LYS NZ 1 25 ASP OD2 2.800 2.400 3.300 4.000 3.245 4.837 1.537 18 12 "[-* ** * ** **. *+*2]" 2
20 1 4 LYS QZ 1 25 ASP OD2 1.800 . 2.500 3.062 2.551 3.740 1.240 18 11 "[ ** * ** *.**+*-]" 2
21 1 2 ARG NE 1 46 ASP OD2 2.800 2.400 3.300 4.748 3.675 5.166 1.866 10 19 "[* -******+**********]" 2
22 1 2 ARG HE 1 46 ASP OD2 1.800 . 2.500 3.981 3.232 4.457 1.957 13 20 [**********-*+*******] 2
23 1 2 ARG QH2 1 46 ASP OD2 1.800 . 2.500 4.166 3.464 4.484 1.984 1 20 [+*********-*********] 2
24 1 6 THR OG1 1 40 ASN ND2 2.800 2.400 3.300 3.017 2.742 3.236 . 0 0 "[ . 1 . 2]" 2
25 1 6 THR OG1 1 40 ASN HD22 1.800 . 2.500 2.334 2.005 2.507 0.007 17 0 "[ . 1 . 2]" 2
26 1 45 CYS N 1 50 LEU O 2.800 2.400 3.300 3.158 2.953 3.253 . 0 0 "[ . 1 . 2]" 2
27 1 45 CYS H 1 50 LEU O 1.800 . 2.500 2.426 2.185 2.538 0.038 16 0 "[ . 1 . 2]" 2
28 1 43 LEU N 1 52 VAL O 2.800 2.400 3.300 3.060 2.928 3.199 . 0 0 "[ . 1 . 2]" 2
29 1 43 LEU H 1 52 VAL O 1.800 . 2.500 2.341 2.093 2.437 . 0 0 "[ . 1 . 2]" 2
30 1 43 LEU O 1 52 VAL N 2.800 2.400 3.300 2.942 2.894 3.123 . 0 0 "[ . 1 . 2]" 2
31 1 43 LEU O 1 52 VAL H 1.800 . 2.500 2.051 1.977 2.359 . 0 0 "[ . 1 . 2]" 2
32 1 41 VAL O 1 54 GLN N 2.800 2.400 3.700 3.251 3.169 3.372 . 0 0 "[ . 1 . 2]" 2
33 1 41 VAL O 1 54 GLN H 1.800 . 2.700 2.373 2.288 2.495 . 0 0 "[ . 1 . 2]" 2
34 1 53 HIS O 1 56 CYS N 2.800 2.400 3.300 2.898 2.863 2.929 . 0 0 "[ . 1 . 2]" 2
35 1 53 HIS O 1 56 CYS H 1.800 . 2.500 2.219 2.159 2.280 . 0 0 "[ . 1 . 2]" 2
36 1 53 HIS O 1 57 TYR N 2.800 2.400 3.300 2.816 2.754 2.865 . 0 0 "[ . 1 . 2]" 2
37 1 53 HIS O 1 57 TYR H 1.800 . 2.500 1.877 1.788 1.926 . 0 0 "[ . 1 . 2]" 2
38 1 54 GLN O 1 58 GLY N 2.800 2.400 3.300 3.151 3.033 3.258 . 0 0 "[ . 1 . 2]" 2
39 1 54 GLN O 1 58 GLY H 1.800 . 2.500 2.378 2.248 2.511 0.011 14 0 "[ . 1 . 2]" 2
40 1 54 GLN O 1 59 VAL N 2.800 2.400 3.300 2.810 2.693 2.924 . 0 0 "[ . 1 . 2]" 2
41 1 54 GLN O 1 59 VAL H 1.800 . 2.500 1.945 1.780 2.110 . 0 0 "[ . 1 . 2]" 2
42 1 69 CYS O 1 73 LEU N 2.800 2.400 3.300 2.770 2.704 2.836 . 0 0 "[ . 1 . 2]" 2
43 1 69 CYS O 1 73 LEU H 1.800 . 2.500 1.814 1.742 1.880 . 0 0 "[ . 1 . 2]" 2
44 1 69 CYS O 1 72 CYS N 2.800 2.400 3.300 2.988 2.935 3.088 . 0 0 "[ . 1 . 2]" 2
45 1 69 CYS O 1 72 CYS H 1.800 . 2.500 2.389 2.335 2.458 . 0 0 "[ . 1 . 2]" 2
46 1 70 ARG O 1 74 GLN N 2.800 2.400 3.300 3.265 3.247 3.319 0.019 10 0 "[ . 1 . 2]" 2
47 1 70 ARG O 1 74 GLN H 1.800 . 2.500 2.573 2.470 2.593 0.093 18 0 "[ . 1 . 2]" 2
48 1 71 HIS O 1 75 SER N 2.800 2.400 3.300 3.220 3.087 3.307 0.007 17 0 "[ . 1 . 2]" 2
49 1 71 HIS O 1 75 SER H 1.800 . 2.500 2.397 2.323 2.456 . 0 0 "[ . 1 . 2]" 2
50 1 72 CYS O 1 76 ARG N 2.800 2.400 3.300 3.093 2.911 3.276 . 0 0 "[ . 1 . 2]" 2
51 1 72 CYS O 1 76 ARG H 1.800 . 2.500 2.166 1.951 2.380 . 0 0 "[ . 1 . 2]" 2
52 1 72 CYS O 1 75 SER N 2.800 2.400 3.300 2.888 2.841 2.962 . 0 0 "[ . 1 . 2]" 2
53 1 72 CYS O 1 75 SER H 1.800 . 2.500 2.355 2.255 2.441 . 0 0 "[ . 1 . 2]" 2
54 1 73 LEU O 1 77 ALA N 2.800 2.400 3.300 3.059 2.668 3.289 . 0 0 "[ . 1 . 2]" 2
55 1 73 LEU O 1 77 ALA H 1.800 . 2.500 2.331 1.766 2.526 0.026 14 0 "[ . 1 . 2]" 2
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