NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583568 |
2mfj   |
19552 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mfj
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 1139
_Distance_constraint_stats_list.Viol_count 2079
_Distance_constraint_stats_list.Viol_total 2674.041
_Distance_constraint_stats_list.Viol_max 0.698
_Distance_constraint_stats_list.Viol_rms 0.0259
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0643
_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 GLY 0.202 0.130 13 0 "[ . 1 . 2]"
1 2 SER 0.708 0.163 20 0 "[ . 1 . 2]"
1 3 ALA 0.988 0.163 20 0 "[ . 1 . 2]"
1 4 LEU 5.090 0.245 14 0 "[ . 1 . 2]"
1 5 ASP 4.115 0.256 4 0 "[ . 1 . 2]"
1 6 PHE 1.578 0.119 10 0 "[ . 1 . 2]"
1 7 THR 1.424 0.155 5 0 "[ . 1 . 2]"
1 8 SER 0.696 0.256 4 0 "[ . 1 . 2]"
1 9 CYS 3.595 0.185 20 0 "[ . 1 . 2]"
1 10 ALA 4.911 0.156 12 0 "[ . 1 . 2]"
1 11 ARG 7.452 0.185 20 0 "[ . 1 . 2]"
1 12 MET 10.514 0.196 5 0 "[ . 1 . 2]"
1 13 ASN 1.285 0.154 12 0 "[ . 1 . 2]"
1 14 ASP 4.310 0.195 5 0 "[ . 1 . 2]"
1 15 GLY 0.099 0.062 13 0 "[ . 1 . 2]"
1 16 ALA 0.037 0.017 12 0 "[ . 1 . 2]"
1 17 LEU 2.985 0.153 13 0 "[ . 1 . 2]"
1 18 GLY 3.721 0.134 2 0 "[ . 1 . 2]"
1 19 ALA 3.194 0.487 16 0 "[ . 1 . 2]"
1 20 LYS 5.203 0.487 16 0 "[ . 1 . 2]"
1 21 VAL 8.035 0.195 5 0 "[ . 1 . 2]"
1 22 ALA 1.259 0.178 12 0 "[ . 1 . 2]"
1 23 GLN 7.654 0.230 10 0 "[ . 1 . 2]"
1 24 ALA 3.666 0.153 15 0 "[ . 1 . 2]"
1 25 ALA 0.157 0.037 11 0 "[ . 1 . 2]"
1 26 CYS 0.367 0.057 15 0 "[ . 1 . 2]"
1 27 ILE 13.158 0.415 12 0 "[ . 1 . 2]"
1 28 SER 2.464 0.304 20 0 "[ . 1 . 2]"
1 29 SER 2.318 0.208 13 0 "[ . 1 . 2]"
1 30 CYS 10.204 0.241 11 0 "[ . 1 . 2]"
1 31 LYS 11.802 0.415 12 0 "[ . 1 . 2]"
1 32 PHE 4.777 0.338 15 0 "[ . 1 . 2]"
1 33 GLN 3.258 0.099 4 0 "[ . 1 . 2]"
1 34 ASN 2.332 0.221 15 0 "[ . 1 . 2]"
1 35 CYS 3.444 0.138 11 0 "[ . 1 . 2]"
1 36 GLY 4.269 0.226 6 0 "[ . 1 . 2]"
1 37 THR 2.695 0.121 6 0 "[ . 1 . 2]"
1 38 GLY 8.171 0.220 13 0 "[ . 1 . 2]"
1 39 HIS 4.797 0.154 7 0 "[ . 1 . 2]"
1 40 CYS 4.462 0.133 13 0 "[ . 1 . 2]"
1 41 GLU 8.503 0.225 20 0 "[ . 1 . 2]"
1 42 ARG 8.572 0.228 15 0 "[ . 1 . 2]"
1 43 ARG 8.788 0.247 11 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 4.804 0.240 14 0 "[ . 1 . 2]"
1 46 ARG 5.834 0.240 14 0 "[ . 1 . 2]"
1 47 PRO 5.824 0.247 11 0 "[ . 1 . 2]"
1 48 THR 2.816 0.156 12 0 "[ . 1 . 2]"
1 49 CYS 1.475 0.133 13 0 "[ . 1 . 2]"
1 50 VAL 9.865 0.225 20 0 "[ . 1 . 2]"
1 51 CYS 6.401 0.226 6 0 "[ . 1 . 2]"
1 52 SER 0.900 0.117 20 0 "[ . 1 . 2]"
1 53 ARG 1.593 0.173 19 0 "[ . 1 . 2]"
1 54 CYS 1.692 0.698 20 1 "[ . 1 . +]"
1 55 GLY 1.397 0.221 15 0 "[ . 1 . 2]"
1 56 ASN 0.986 0.698 20 1 "[ . 1 . +]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 1.679 0.426 10 0 "[ . 1 . 2]"
1 61 TRP 5.928 0.459 15 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 2.386 0.332 7 0 "[ . 1 . 2]"
1 64 LEU 3.097 0.332 7 0 "[ . 1 . 2]"
1 65 PRO 2.721 0.459 15 0 "[ . 1 . 2]"
1 66 SER 1.055 0.304 9 0 "[ . 1 . 2]"
1 67 ARG 3.433 0.304 9 0 "[ . 1 . 2]"
1 68 GLY 1.198 0.191 11 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 8 SER H 1 9 CYS H 4.010 . 4.010 2.649 2.440 2.872 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER H 1 49 CYS HB3 5.300 . 5.300 4.088 3.395 4.682 . 0 0 "[ . 1 . 2]" 1
3 1 8 SER H 1 10 ALA MB 5.300 . 5.300 5.066 4.814 5.350 0.050 4 0 "[ . 1 . 2]" 1
4 1 41 GLU H 1 42 ARG H 4.790 . 4.790 4.338 4.300 4.383 . 0 0 "[ . 1 . 2]" 1
5 1 42 ARG H 1 48 THR H 5.250 . 5.250 4.574 4.478 4.660 . 0 0 "[ . 1 . 2]" 1
6 1 39 HIS HD2 1 41 GLU H 4.810 . 4.810 4.156 3.978 4.349 . 0 0 "[ . 1 . 2]" 1
7 1 42 ARG QD 1 48 THR H 6.000 . 6.000 5.817 5.535 6.023 0.023 19 0 "[ . 1 . 2]" 1
8 1 40 CYS HB2 1 41 GLU H 4.310 . 4.310 4.173 4.143 4.205 . 0 0 "[ . 1 . 2]" 1
9 1 43 ARG QG 1 48 THR H 4.290 . 4.290 3.964 3.351 4.328 0.038 3 0 "[ . 1 . 2]" 1
10 1 42 ARG HG3 1 48 THR H 4.870 . 4.870 4.486 3.957 4.873 0.003 19 0 "[ . 1 . 2]" 1
11 1 48 THR H 1 48 THR MG 4.200 . 4.200 3.898 3.831 3.994 . 0 0 "[ . 1 . 2]" 1
12 1 40 CYS H 1 41 GLU H 4.610 . 4.610 4.446 4.405 4.472 . 0 0 "[ . 1 . 2]" 1
13 1 11 ARG H 1 12 MET HA 5.180 . 5.180 5.145 5.098 5.196 0.016 19 0 "[ . 1 . 2]" 1
14 1 11 ARG H 1 18 GLY HA2 6.000 . 6.000 6.082 6.027 6.134 0.134 2 0 "[ . 1 . 2]" 1
15 1 40 CYS H 1 40 CYS HB3 3.740 . 3.740 3.598 3.573 3.617 . 0 0 "[ . 1 . 2]" 1
16 1 9 CYS HB3 1 11 ARG H 5.450 . 5.450 5.022 4.761 5.167 . 0 0 "[ . 1 . 2]" 1
17 1 9 CYS HB3 1 40 CYS H 6.000 . 6.000 5.220 5.142 5.264 . 0 0 "[ . 1 . 2]" 1
18 1 11 ARG H 1 22 ALA H 5.490 . 5.490 5.292 5.003 5.528 0.038 4 0 "[ . 1 . 2]" 1
19 1 42 ARG H 1 50 VAL MG2 5.630 . 5.630 5.469 5.377 5.627 . 0 0 "[ . 1 . 2]" 1
20 1 39 HIS HD2 1 42 ARG H 5.760 . 5.760 5.665 5.394 5.817 0.057 13 0 "[ . 1 . 2]" 1
21 1 42 ARG H 1 42 ARG QD 4.730 . 4.730 4.272 4.069 4.536 . 0 0 "[ . 1 . 2]" 1
22 1 41 GLU HB3 1 42 ARG H 3.940 . 3.940 3.860 3.603 3.974 0.034 1 0 "[ . 1 . 2]" 1
23 1 42 ARG H 1 42 ARG HG2 4.450 . 4.450 4.065 3.762 4.458 0.008 15 0 "[ . 1 . 2]" 1
24 1 41 GLU H 1 50 VAL H 4.210 . 4.210 3.278 3.170 3.412 . 0 0 "[ . 1 . 2]" 1
25 1 53 ARG H 1 53 ARG HE 3.980 . 3.980 3.036 2.202 4.153 0.173 19 0 "[ . 1 . 2]" 1
26 1 30 CYS H 1 38 GLY HA3 4.380 . 4.380 4.243 4.100 4.382 0.002 20 0 "[ . 1 . 2]" 1
27 1 48 THR HB 1 50 VAL H 5.470 . 5.470 4.852 4.544 5.063 . 0 0 "[ . 1 . 2]" 1
28 1 30 CYS H 1 35 CYS HB3 6.000 . 6.000 6.074 6.001 6.138 0.138 11 0 "[ . 1 . 2]" 1
29 1 30 CYS H 1 35 CYS HB2 5.080 . 5.080 4.850 4.788 4.899 . 0 0 "[ . 1 . 2]" 1
30 1 5 ASP HB3 1 6 PHE H 4.490 . 4.490 3.758 2.678 4.227 . 0 0 "[ . 1 . 2]" 1
31 1 40 CYS H 1 50 VAL H 5.200 . 5.200 4.872 4.797 4.968 . 0 0 "[ . 1 . 2]" 1
32 1 50 VAL H 1 51 CYS H 4.580 . 4.580 4.342 4.306 4.378 . 0 0 "[ . 1 . 2]" 1
33 1 39 HIS H 1 50 VAL H 3.780 . 3.780 3.327 3.076 3.516 . 0 0 "[ . 1 . 2]" 1
34 1 49 CYS HB2 1 50 VAL H 4.880 . 4.880 4.341 4.249 4.405 . 0 0 "[ . 1 . 2]" 1
35 1 54 CYS H 1 54 CYS HB3 4.070 . 4.070 3.614 2.705 3.714 . 0 0 "[ . 1 . 2]" 1
36 1 12 MET HA 1 22 ALA H 4.450 . 4.450 4.416 4.184 4.628 0.178 12 0 "[ . 1 . 2]" 1
37 1 21 VAL MG2 1 22 ALA H 3.770 . 3.770 3.652 3.573 3.715 . 0 0 "[ . 1 . 2]" 1
38 1 13 ASN H 1 13 ASN HB2 3.990 . 3.990 3.343 2.489 3.809 . 0 0 "[ . 1 . 2]" 1
39 1 51 CYS H 1 51 CYS HB2 3.500 . 3.500 2.588 2.544 2.628 . 0 0 "[ . 1 . 2]" 1
40 1 50 VAL MG1 1 51 CYS H 4.240 . 4.240 3.988 3.940 4.051 . 0 0 "[ . 1 . 2]" 1
41 1 9 CYS H 1 48 THR H 6.000 . 6.000 5.838 5.549 6.095 0.095 12 0 "[ . 1 . 2]" 1
42 1 9 CYS H 1 11 ARG H 4.860 . 4.860 4.693 4.491 4.781 . 0 0 "[ . 1 . 2]" 1
43 1 11 ARG H 1 13 ASN H 5.160 . 5.160 4.511 4.395 4.598 . 0 0 "[ . 1 . 2]" 1
44 1 12 MET H 1 13 ASN H 3.390 . 3.390 2.814 2.758 2.892 . 0 0 "[ . 1 . 2]" 1
45 1 9 CYS H 1 40 CYS HB3 5.810 . 5.810 5.495 5.436 5.548 . 0 0 "[ . 1 . 2]" 1
46 1 23 GLN QG 1 26 CYS H 5.250 . 5.250 4.950 4.902 4.996 . 0 0 "[ . 1 . 2]" 1
47 1 31 LYS H 1 33 GLN H 4.500 . 4.500 4.202 4.162 4.252 . 0 0 "[ . 1 . 2]" 1
48 1 27 ILE H 1 29 SER H 4.730 . 4.730 4.314 4.259 4.392 . 0 0 "[ . 1 . 2]" 1
49 1 29 SER H 1 31 LYS H 5.130 . 5.130 4.338 4.265 4.424 . 0 0 "[ . 1 . 2]" 1
50 1 24 ALA HA 1 27 ILE H 3.930 . 3.930 3.669 3.484 3.879 . 0 0 "[ . 1 . 2]" 1
51 1 36 GLY H 1 52 SER H 5.070 . 5.070 4.924 4.649 5.144 0.074 20 0 "[ . 1 . 2]" 1
52 1 43 ARG H 1 45 GLY H 5.430 . 5.430 4.395 4.135 4.835 . 0 0 "[ . 1 . 2]" 1
53 1 27 ILE H 1 28 SER H 3.400 . 3.400 2.843 2.762 2.895 . 0 0 "[ . 1 . 2]" 1
54 1 27 ILE H 1 38 GLY H 5.380 . 5.380 4.965 4.318 5.201 . 0 0 "[ . 1 . 2]" 1
55 1 38 GLY H 1 52 SER H 5.740 . 5.740 4.559 4.274 4.787 . 0 0 "[ . 1 . 2]" 1
56 1 34 ASN HB2 1 55 GLY H 5.520 . 5.520 5.230 4.846 5.571 0.051 7 0 "[ . 1 . 2]" 1
57 1 54 CYS H 1 56 ASN H 6.000 . 6.000 5.274 3.871 6.698 0.698 20 1 "[ . 1 . +]" 1
58 1 39 HIS H 1 40 CYS H 4.460 . 4.460 4.290 4.263 4.316 . 0 0 "[ . 1 . 2]" 1
59 1 48 THR H 1 49 CYS H 4.490 . 4.490 4.457 4.371 4.504 0.014 2 0 "[ . 1 . 2]" 1
60 1 39 HIS H 1 39 HIS HD2 4.880 . 4.880 4.727 4.579 4.838 . 0 0 "[ . 1 . 2]" 1
61 1 48 THR HB 1 49 CYS H 4.820 . 4.820 3.633 3.541 3.751 . 0 0 "[ . 1 . 2]" 1
62 1 49 CYS H 1 49 CYS HB2 3.680 . 3.680 2.896 2.856 2.946 . 0 0 "[ . 1 . 2]" 1
63 1 19 ALA HA 1 21 VAL H 4.580 . 4.580 4.562 4.439 4.611 0.031 17 0 "[ . 1 . 2]" 1
64 1 21 VAL H 1 22 ALA H 3.160 . 3.160 2.662 2.548 2.741 . 0 0 "[ . 1 . 2]" 1
65 1 67 ARG H 1 67 ARG QD 3.840 . 3.840 3.534 2.215 4.144 0.304 18 0 "[ . 1 . 2]" 1
66 1 17 LEU QB 1 21 VAL H 5.940 . 5.940 5.031 4.883 5.165 . 0 0 "[ . 1 . 2]" 1
67 1 20 LYS QD 1 21 VAL H 6.000 . 6.000 4.801 4.448 4.988 . 0 0 "[ . 1 . 2]" 1
68 1 25 ALA H 1 27 ILE H 4.630 . 4.630 4.429 4.269 4.532 . 0 0 "[ . 1 . 2]" 1
69 1 24 ALA H 1 25 ALA H 3.170 . 3.170 2.684 2.645 2.724 . 0 0 "[ . 1 . 2]" 1
70 1 25 ALA H 1 26 CYS QB 4.670 . 4.670 4.363 4.303 4.424 . 0 0 "[ . 1 . 2]" 1
71 1 11 ARG QB 1 21 VAL H 4.750 . 4.750 4.587 4.023 4.844 0.094 15 0 "[ . 1 . 2]" 1
72 1 63 ASN H 1 63 ASN HB2 4.120 . 4.120 3.165 2.411 3.887 . 0 0 "[ . 1 . 2]" 1
73 1 29 SER H 1 30 CYS H 3.260 . 3.260 2.664 2.610 2.701 . 0 0 "[ . 1 . 2]" 1
74 1 39 HIS HE1 1 50 VAL HB 4.990 . 4.990 4.873 4.618 5.011 0.021 7 0 "[ . 1 . 2]" 1
75 1 27 ILE MG 1 29 SER H 5.670 . 5.670 5.044 4.967 5.125 . 0 0 "[ . 1 . 2]" 1
76 1 37 THR MG 1 39 HIS HE1 6.000 . 6.000 5.420 5.070 6.059 0.059 20 0 "[ . 1 . 2]" 1
77 1 39 HIS HE1 1 50 VAL MG1 5.350 . 5.350 5.304 5.104 5.452 0.102 19 0 "[ . 1 . 2]" 1
78 1 43 ARG H 1 48 THR H 4.290 . 4.290 3.481 3.039 3.936 . 0 0 "[ . 1 . 2]" 1
79 1 42 ARG H 1 43 ARG H 4.580 . 4.580 4.361 4.289 4.407 . 0 0 "[ . 1 . 2]" 1
80 1 43 ARG H 1 43 ARG QD 4.970 . 4.970 4.167 2.940 4.601 . 0 0 "[ . 1 . 2]" 1
81 1 36 GLY H 1 54 CYS HB2 5.630 . 5.630 5.400 3.476 5.673 0.043 8 0 "[ . 1 . 2]" 1
82 1 35 CYS HB2 1 36 GLY H 4.330 . 4.330 4.122 4.077 4.150 . 0 0 "[ . 1 . 2]" 1
83 1 36 GLY H 1 37 THR MG 4.800 . 4.800 4.495 4.187 4.793 . 0 0 "[ . 1 . 2]" 1
84 1 36 GLY H 1 54 CYS H 5.490 . 5.490 4.221 3.980 4.432 . 0 0 "[ . 1 . 2]" 1
85 1 36 GLY H 1 54 CYS HB3 5.630 . 5.630 5.200 4.566 5.543 . 0 0 "[ . 1 . 2]" 1
86 1 30 CYS QB 1 36 GLY H 5.270 . 5.270 4.901 4.674 5.047 . 0 0 "[ . 1 . 2]" 1
87 1 60 GLU HG2 1 61 TRP H 5.260 . 5.260 4.179 2.477 5.157 . 0 0 "[ . 1 . 2]" 1
88 1 60 GLU H 1 61 TRP H 4.620 . 4.620 3.982 1.590 4.537 0.210 8 0 "[ . 1 . 2]" 1
89 1 30 CYS H 1 35 CYS H 6.000 . 6.000 6.022 5.740 6.127 0.127 4 0 "[ . 1 . 2]" 1
90 1 31 LYS H 1 35 CYS H 4.730 . 4.730 4.385 4.077 4.515 . 0 0 "[ . 1 . 2]" 1
91 1 35 CYS H 1 35 CYS HB3 4.020 . 4.020 3.679 3.619 3.748 . 0 0 "[ . 1 . 2]" 1
92 1 34 ASN HB2 1 35 CYS H 5.120 . 5.120 4.608 4.521 4.648 . 0 0 "[ . 1 . 2]" 1
93 1 62 PRO QB 1 64 LEU H 6.000 . 6.000 4.621 4.164 5.162 . 0 0 "[ . 1 . 2]" 1
94 1 63 ASN H 1 64 LEU H 4.050 . 4.050 2.280 1.737 2.747 0.063 15 0 "[ . 1 . 2]" 1
95 1 61 TRP HD1 1 64 LEU H 5.000 . 5.000 4.727 3.540 5.197 0.197 9 0 "[ . 1 . 2]" 1
96 1 4 LEU H 1 4 LEU HG 3.600 . 3.600 3.306 2.997 3.502 . 0 0 "[ . 1 . 2]" 1
97 1 67 ARG H 1 68 GLY H 4.790 . 4.790 3.378 2.104 4.556 . 0 0 "[ . 1 . 2]" 1
98 1 67 ARG HE 1 68 GLY H 5.290 . 5.290 4.573 2.938 5.390 0.100 13 0 "[ . 1 . 2]" 1
99 1 5 ASP H 1 5 ASP HB2 3.880 . 3.880 3.273 2.232 3.971 0.091 2 0 "[ . 1 . 2]" 1
100 1 4 LEU HB2 1 5 ASP H 4.160 . 4.160 3.940 3.629 4.307 0.147 2 0 "[ . 1 . 2]" 1
101 1 11 ARG H 1 14 ASP H 6.000 . 6.000 5.852 5.577 6.049 0.049 20 0 "[ . 1 . 2]" 1
102 1 34 ASN H 1 35 CYS H 3.300 . 3.300 2.566 2.498 2.633 . 0 0 "[ . 1 . 2]" 1
103 1 32 PHE H 1 35 CYS HB2 5.740 . 5.740 5.451 5.245 5.622 . 0 0 "[ . 1 . 2]" 1
104 1 34 ASN H 1 35 CYS HB2 5.950 . 5.950 4.664 4.594 4.764 . 0 0 "[ . 1 . 2]" 1
105 1 12 MET HB2 1 14 ASP H 5.510 . 5.510 5.360 5.227 5.518 0.008 13 0 "[ . 1 . 2]" 1
106 1 31 LYS H 1 32 PHE H 3.460 . 3.460 2.804 2.674 2.895 . 0 0 "[ . 1 . 2]" 1
107 1 29 SER HA 1 32 PHE H 4.990 . 4.990 3.500 3.345 3.728 . 0 0 "[ . 1 . 2]" 1
108 1 16 ALA MB 1 19 ALA H 4.920 . 4.920 4.582 4.448 4.789 . 0 0 "[ . 1 . 2]" 1
109 1 28 SER H 1 29 SER H 3.340 . 3.340 2.797 2.736 2.842 . 0 0 "[ . 1 . 2]" 1
110 1 10 ALA HA 1 12 MET H 4.600 . 4.600 3.540 3.256 3.658 . 0 0 "[ . 1 . 2]" 1
111 1 14 ASP HB3 1 19 ALA H 4.890 . 4.890 4.584 4.397 4.900 0.010 11 0 "[ . 1 . 2]" 1
112 1 12 MET H 1 12 MET HG3 3.400 . 3.400 3.389 3.341 3.419 0.019 12 0 "[ . 1 . 2]" 1
113 1 19 ALA H 1 19 ALA MB 2.730 . 2.730 2.219 2.190 2.245 . 0 0 "[ . 1 . 2]" 1
114 1 22 ALA MB 1 23 GLN H 3.110 . 3.110 2.285 2.217 2.352 . 0 0 "[ . 1 . 2]" 1
115 1 19 ALA H 1 21 VAL MG2 4.950 . 4.950 4.818 4.603 4.917 . 0 0 "[ . 1 . 2]" 1
116 1 22 ALA H 1 23 GLN H 3.320 . 3.320 2.882 2.859 2.913 . 0 0 "[ . 1 . 2]" 1
117 1 23 GLN H 1 24 ALA H 3.230 . 3.230 2.690 2.654 2.734 . 0 0 "[ . 1 . 2]" 1
118 1 11 ARG QB 1 12 MET H 3.870 . 3.870 3.723 3.304 3.882 0.012 13 0 "[ . 1 . 2]" 1
119 1 21 VAL MG1 1 23 GLN H 5.420 . 5.420 5.244 5.174 5.300 . 0 0 "[ . 1 . 2]" 1
120 1 35 CYS H 1 37 THR H 6.000 . 6.000 5.498 5.305 5.705 . 0 0 "[ . 1 . 2]" 1
121 1 37 THR H 1 53 ARG H 5.300 . 5.300 5.124 5.005 5.238 . 0 0 "[ . 1 . 2]" 1
122 1 37 THR H 1 52 SER H 3.740 . 3.740 3.145 2.945 3.284 . 0 0 "[ . 1 . 2]" 1
123 1 35 CYS HB2 1 37 THR H 4.910 . 4.910 4.219 4.089 4.557 . 0 0 "[ . 1 . 2]" 1
124 1 22 ALA H 1 24 ALA H 4.300 . 4.300 4.180 4.111 4.250 . 0 0 "[ . 1 . 2]" 1
125 1 14 ASP H 1 15 GLY H 3.690 . 3.690 2.446 2.240 2.641 . 0 0 "[ . 1 . 2]" 1
126 1 11 ARG QB 1 11 ARG HE 3.660 . 3.660 2.224 1.791 3.732 0.072 2 0 "[ . 1 . 2]" 1
127 1 20 LYS QB 1 24 ALA H 5.220 . 5.220 4.893 4.538 5.113 . 0 0 "[ . 1 . 2]" 1
128 1 37 THR H 1 51 CYS HB3 4.640 . 4.640 4.157 3.998 4.253 . 0 0 "[ . 1 . 2]" 1
129 1 11 ARG HE 1 21 VAL MG1 4.970 . 4.970 2.590 1.777 3.389 0.023 10 0 "[ . 1 . 2]" 1
130 1 11 ARG H 1 11 ARG HE 5.370 . 5.370 4.110 3.654 4.654 . 0 0 "[ . 1 . 2]" 1
131 1 14 ASP H 1 18 GLY H 4.570 . 4.570 4.473 4.287 4.583 0.013 6 0 "[ . 1 . 2]" 1
132 1 17 LEU H 1 18 GLY H 3.300 . 3.300 2.527 2.393 2.654 . 0 0 "[ . 1 . 2]" 1
133 1 15 GLY H 1 18 GLY H 4.570 . 4.570 4.343 3.982 4.505 . 0 0 "[ . 1 . 2]" 1
134 1 14 ASP HB2 1 18 GLY H 5.200 . 5.200 5.134 4.889 5.310 0.110 13 0 "[ . 1 . 2]" 1
135 1 18 GLY H 1 19 ALA H 3.160 . 3.160 2.733 2.672 2.782 . 0 0 "[ . 1 . 2]" 1
136 1 19 ALA H 1 20 LYS H 3.440 . 3.440 2.697 2.434 2.817 . 0 0 "[ . 1 . 2]" 1
137 1 16 ALA MB 1 18 GLY H 4.800 . 4.800 4.534 4.206 4.634 . 0 0 "[ . 1 . 2]" 1
138 1 20 LYS H 1 21 VAL H 3.160 . 3.160 2.613 2.489 2.729 . 0 0 "[ . 1 . 2]" 1
139 1 20 LYS H 1 20 LYS QE 5.190 . 5.190 2.837 2.137 3.487 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLY H 1 21 VAL HB 6.000 . 6.000 5.349 5.209 5.448 . 0 0 "[ . 1 . 2]" 1
141 1 20 LYS H 1 21 VAL HB 6.000 . 6.000 4.864 4.669 5.031 . 0 0 "[ . 1 . 2]" 1
142 1 20 LYS H 1 23 GLN HB3 6.000 . 6.000 5.655 5.531 5.823 . 0 0 "[ . 1 . 2]" 1
143 1 17 LEU MD1 1 20 LYS H 4.290 . 4.290 4.197 3.896 4.327 0.037 17 0 "[ . 1 . 2]" 1
144 1 31 LYS HA 1 33 GLN H 6.000 . 6.000 4.152 4.066 4.231 . 0 0 "[ . 1 . 2]" 1
145 1 30 CYS H 1 33 GLN H 5.080 . 5.080 4.868 4.792 4.935 . 0 0 "[ . 1 . 2]" 1
146 1 33 GLN H 1 35 CYS H 4.080 . 4.080 3.548 3.386 3.680 . 0 0 "[ . 1 . 2]" 1
147 1 33 GLN H 1 33 GLN HE21 4.340 . 4.340 3.604 3.407 3.767 . 0 0 "[ . 1 . 2]" 1
148 1 33 GLN H 1 34 ASN HB2 5.490 . 5.490 5.530 5.361 5.589 0.099 4 0 "[ . 1 . 2]" 1
149 1 31 LYS H 1 32 PHE QD 5.710 . 5.710 5.207 4.127 6.048 0.338 15 0 "[ . 1 . 2]" 1
150 1 6 PHE H 1 6 PHE QE 4.970 . 4.970 3.886 3.793 4.027 . 0 0 "[ . 1 . 2]" 1
151 1 8 SER H 1 10 ALA H 5.130 . 5.130 4.303 4.061 4.505 . 0 0 "[ . 1 . 2]" 1
152 1 10 ALA H 1 11 ARG H 3.700 . 3.700 2.634 2.503 2.726 . 0 0 "[ . 1 . 2]" 1
153 1 9 CYS H 1 10 ALA H 3.250 . 3.250 2.529 2.450 2.657 . 0 0 "[ . 1 . 2]" 1
154 1 10 ALA H 1 12 MET H 4.620 . 4.620 4.187 4.103 4.283 . 0 0 "[ . 1 . 2]" 1
155 1 42 ARG HE 1 45 GLY HA2 5.520 . 5.520 2.620 2.337 3.018 . 0 0 "[ . 1 . 2]" 1
156 1 10 ALA H 1 11 ARG QB 5.730 . 5.730 5.123 4.901 5.278 . 0 0 "[ . 1 . 2]" 1
157 1 10 ALA H 1 11 ARG QG 4.720 . 4.720 4.060 3.444 4.564 . 0 0 "[ . 1 . 2]" 1
158 1 42 ARG HB2 1 42 ARG HE 5.490 . 5.490 3.471 2.974 3.976 . 0 0 "[ . 1 . 2]" 1
159 1 42 ARG HE 1 43 ARG H 4.710 . 4.710 4.767 4.436 4.912 0.202 14 0 "[ . 1 . 2]" 1
160 1 61 TRP HD1 1 65 PRO QD 3.360 . 3.360 2.788 1.897 3.819 0.459 15 0 "[ . 1 . 2]" 1
161 1 6 PHE HZ 1 46 ARG QD 3.240 . 3.240 2.428 1.930 3.310 0.070 14 0 "[ . 1 . 2]" 1
162 1 52 SER QB 1 53 ARG HE 5.320 . 5.320 3.955 3.055 5.377 0.057 13 0 "[ . 1 . 2]" 1
163 1 23 GLN HE21 1 27 ILE MD 4.040 . 4.040 2.644 2.405 2.890 . 0 0 "[ . 1 . 2]" 1
164 1 39 HIS HD2 1 40 CYS H 4.220 . 4.220 3.670 3.528 3.839 . 0 0 "[ . 1 . 2]" 1
165 1 30 CYS H 1 33 GLN HE21 4.960 . 4.960 4.323 4.109 4.594 . 0 0 "[ . 1 . 2]" 1
166 1 39 HIS HD2 1 50 VAL H 5.460 . 5.460 4.870 4.668 5.008 . 0 0 "[ . 1 . 2]" 1
167 1 31 LYS H 1 33 GLN HE21 5.820 . 5.820 5.595 5.280 5.823 0.003 18 0 "[ . 1 . 2]" 1
168 1 32 PHE H 1 33 GLN HE21 5.430 . 5.430 5.123 4.822 5.369 . 0 0 "[ . 1 . 2]" 1
169 1 32 PHE HB2 1 33 GLN HE21 5.510 . 5.510 4.618 4.190 5.499 . 0 0 "[ . 1 . 2]" 1
170 1 32 PHE HB3 1 33 GLN HE21 5.450 . 5.450 5.184 4.195 5.521 0.071 1 0 "[ . 1 . 2]" 1
171 1 23 GLN HE21 1 24 ALA MB 5.150 . 5.150 4.953 4.640 5.154 0.004 4 0 "[ . 1 . 2]" 1
172 1 12 MET ME 1 39 HIS HD2 5.320 . 5.320 5.343 5.198 5.465 0.145 9 0 "[ . 1 . 2]" 1
173 1 39 HIS HD2 1 50 VAL MG1 5.250 . 5.250 5.080 4.797 5.255 0.005 6 0 "[ . 1 . 2]" 1
174 1 6 PHE HZ 1 46 ARG HE 5.370 . 5.370 4.732 3.687 5.403 0.033 16 0 "[ . 1 . 2]" 1
175 1 22 ALA MB 1 40 CYS HA 5.240 . 5.240 4.882 4.761 5.021 . 0 0 "[ . 1 . 2]" 1
176 1 40 CYS HA 1 41 GLU H 2.910 . 2.910 2.106 2.080 2.129 . 0 0 "[ . 1 . 2]" 1
177 1 40 CYS HA 1 50 VAL H 3.720 . 3.720 3.003 2.940 3.106 . 0 0 "[ . 1 . 2]" 1
178 1 51 CYS HA 1 52 SER H 3.100 . 3.100 2.247 2.160 2.295 . 0 0 "[ . 1 . 2]" 1
179 1 39 HIS H 1 51 CYS HA 3.790 . 3.790 3.227 3.067 3.367 . 0 0 "[ . 1 . 2]" 1
180 1 38 GLY H 1 51 CYS HA 4.860 . 4.860 4.651 4.563 4.744 . 0 0 "[ . 1 . 2]" 1
181 1 37 THR H 1 51 CYS HA 4.960 . 4.960 4.860 4.710 5.009 0.049 10 0 "[ . 1 . 2]" 1
182 1 39 HIS HD2 1 40 CYS HA 4.860 . 4.860 4.290 4.142 4.434 . 0 0 "[ . 1 . 2]" 1
183 1 38 GLY HA3 1 51 CYS HA 3.880 . 3.880 3.221 3.044 3.392 . 0 0 "[ . 1 . 2]" 1
184 1 9 CYS HB3 1 40 CYS HA 4.730 . 4.730 3.543 3.419 3.677 . 0 0 "[ . 1 . 2]" 1
185 1 35 CYS HB3 1 51 CYS HA 4.540 . 4.540 4.194 4.070 4.297 . 0 0 "[ . 1 . 2]" 1
186 1 39 HIS QB 1 40 CYS HA 5.240 . 5.240 4.720 4.672 4.778 . 0 0 "[ . 1 . 2]" 1
187 1 39 HIS QB 1 51 CYS HA 5.700 . 5.700 5.510 5.320 5.644 . 0 0 "[ . 1 . 2]" 1
188 1 9 CYS HB2 1 40 CYS HA 3.930 . 3.930 3.782 3.596 3.901 . 0 0 "[ . 1 . 2]" 1
189 1 40 CYS HA 1 41 GLU HB3 5.010 . 5.010 4.662 4.510 5.009 . 0 0 "[ . 1 . 2]" 1
190 1 12 MET ME 1 40 CYS HA 4.100 . 4.100 3.542 3.505 3.610 . 0 0 "[ . 1 . 2]" 1
191 1 50 VAL HB 1 51 CYS HA 4.980 . 4.980 4.939 4.835 5.027 0.047 10 0 "[ . 1 . 2]" 1
192 1 37 THR MG 1 51 CYS HA 4.510 . 4.510 4.319 4.056 4.581 0.071 2 0 "[ . 1 . 2]" 1
193 1 40 CYS HA 1 50 VAL MG2 4.970 . 4.970 3.675 3.614 3.773 . 0 0 "[ . 1 . 2]" 1
194 1 50 VAL MG2 1 51 CYS HA 5.420 . 5.420 4.118 4.045 4.226 . 0 0 "[ . 1 . 2]" 1
195 1 35 CYS HA 1 54 CYS H 4.950 . 4.950 4.336 4.144 4.560 . 0 0 "[ . 1 . 2]" 1
196 1 35 CYS HA 1 55 GLY H 4.070 . 4.070 3.550 2.754 4.094 0.024 9 0 "[ . 1 . 2]" 1
197 1 35 CYS HA 1 36 GLY H 3.360 . 3.360 2.143 2.098 2.182 . 0 0 "[ . 1 . 2]" 1
198 1 35 CYS HA 1 37 THR H 4.620 . 4.620 4.200 4.058 4.379 . 0 0 "[ . 1 . 2]" 1
199 1 35 CYS HA 1 36 GLY HA3 4.640 . 4.640 4.361 4.302 4.395 . 0 0 "[ . 1 . 2]" 1
200 1 35 CYS HA 1 54 CYS HB2 4.690 . 4.690 4.447 2.919 4.700 0.010 15 0 "[ . 1 . 2]" 1
201 1 30 CYS QB 1 35 CYS HA 4.930 . 4.930 4.542 4.374 4.653 . 0 0 "[ . 1 . 2]" 1
202 1 33 GLN HG3 1 35 CYS HA 5.550 . 5.550 4.719 4.573 4.897 . 0 0 "[ . 1 . 2]" 1
203 1 34 ASN H 1 35 CYS HA 5.330 . 5.330 5.163 5.062 5.204 . 0 0 "[ . 1 . 2]" 1
204 1 35 CYS HA 1 36 GLY HA2 4.870 . 4.870 4.282 4.230 4.317 . 0 0 "[ . 1 . 2]" 1
205 1 35 CYS HA 1 51 CYS HB3 4.820 . 4.820 4.543 4.449 4.644 . 0 0 "[ . 1 . 2]" 1
206 1 35 CYS HA 1 54 CYS HB3 4.690 . 4.690 3.672 3.025 3.936 . 0 0 "[ . 1 . 2]" 1
207 1 35 CYS HA 1 51 CYS HB2 5.500 . 5.500 5.363 5.232 5.465 . 0 0 "[ . 1 . 2]" 1
208 1 35 CYS HA 1 53 ARG QB 5.020 . 5.020 4.429 4.005 5.049 0.029 5 0 "[ . 1 . 2]" 1
209 1 13 ASN HA 1 15 GLY HA2 5.420 . 5.420 5.073 4.874 5.407 . 0 0 "[ . 1 . 2]" 1
210 1 12 MET H 1 13 ASN HA 5.590 . 5.590 5.353 5.310 5.391 . 0 0 "[ . 1 . 2]" 1
211 1 13 ASN HA 1 15 GLY H 3.700 . 3.700 3.178 3.014 3.459 . 0 0 "[ . 1 . 2]" 1
212 1 12 MET HA 1 13 ASN HA 4.770 . 4.770 4.543 4.476 4.648 . 0 0 "[ . 1 . 2]" 1
213 1 13 ASN HA 1 14 ASP HB2 5.460 . 5.460 5.325 5.265 5.425 . 0 0 "[ . 1 . 2]" 1
214 1 12 MET HB2 1 13 ASN HA 4.970 . 4.970 4.828 4.726 4.936 . 0 0 "[ . 1 . 2]" 1
215 1 13 ASN HA 1 14 ASP HB3 5.910 . 5.910 5.559 5.389 5.756 . 0 0 "[ . 1 . 2]" 1
216 1 37 THR MG 1 38 GLY HA2 4.190 . 4.190 3.590 3.383 4.058 . 0 0 "[ . 1 . 2]" 1
217 1 38 GLY HA2 1 39 HIS H 3.270 . 3.270 2.246 2.223 2.321 . 0 0 "[ . 1 . 2]" 1
218 1 38 GLY HA2 1 39 HIS HE1 6.000 . 6.000 5.955 5.691 6.107 0.107 13 0 "[ . 1 . 2]" 1
219 1 37 THR H 1 54 CYS HA 5.470 . 5.470 5.157 4.618 5.528 0.058 15 0 "[ . 1 . 2]" 1
220 1 35 CYS HB2 1 54 CYS HA 5.060 . 5.060 4.463 4.345 4.659 . 0 0 "[ . 1 . 2]" 1
221 1 36 GLY H 1 54 CYS HA 3.630 . 3.630 2.903 2.181 3.341 . 0 0 "[ . 1 . 2]" 1
222 1 61 TRP HA 1 64 LEU H 4.400 . 4.400 3.883 3.215 4.417 0.017 8 0 "[ . 1 . 2]" 1
223 1 35 CYS HA 1 54 CYS HA 3.930 . 3.930 1.872 1.709 2.123 0.091 20 0 "[ . 1 . 2]" 1
224 1 61 TRP HA 1 65 PRO QD 3.650 . 3.650 3.335 2.087 3.916 0.266 9 0 "[ . 1 . 2]" 1
225 1 53 ARG QB 1 54 CYS HA 4.820 . 4.820 4.327 4.258 4.371 . 0 0 "[ . 1 . 2]" 1
226 1 61 TRP HA 1 65 PRO QG 5.140 . 5.140 4.272 2.760 5.167 0.027 9 0 "[ . 1 . 2]" 1
227 1 23 GLN HA 1 39 HIS HA 4.850 . 4.850 3.679 3.522 3.924 . 0 0 "[ . 1 . 2]" 1
228 1 53 ARG HA 1 54 CYS HA 5.610 . 5.610 4.521 4.418 4.591 . 0 0 "[ . 1 . 2]" 1
229 1 49 CYS HA 1 50 VAL H 2.940 . 2.940 2.171 2.136 2.212 . 0 0 "[ . 1 . 2]" 1
230 1 39 HIS HA 1 39 HIS HD2 4.340 . 4.340 4.403 4.369 4.447 0.107 5 0 "[ . 1 . 2]" 1
231 1 40 CYS HA 1 49 CYS HA 3.750 . 3.750 2.401 2.357 2.505 . 0 0 "[ . 1 . 2]" 1
232 1 27 ILE MD 1 39 HIS HA 4.920 . 4.920 4.551 4.341 4.753 . 0 0 "[ . 1 . 2]" 1
233 1 49 CYS HA 1 50 VAL MG2 4.430 . 4.430 3.923 3.833 3.964 . 0 0 "[ . 1 . 2]" 1
234 1 41 GLU H 1 49 CYS HA 3.730 . 3.730 3.349 3.255 3.466 . 0 0 "[ . 1 . 2]" 1
235 1 39 HIS HA 1 40 CYS H 2.930 . 2.930 2.251 2.213 2.283 . 0 0 "[ . 1 . 2]" 1
236 1 49 CYS HA 1 50 VAL HA 5.050 . 5.050 4.346 4.319 4.379 . 0 0 "[ . 1 . 2]" 1
237 1 23 GLN HB3 1 39 HIS HA 5.800 . 5.800 4.810 4.554 5.076 . 0 0 "[ . 1 . 2]" 1
238 1 41 GLU HB3 1 49 CYS HA 6.000 . 6.000 5.413 5.166 5.838 . 0 0 "[ . 1 . 2]" 1
239 1 49 CYS HA 1 50 VAL MG1 3.980 . 3.980 3.759 3.702 3.830 . 0 0 "[ . 1 . 2]" 1
240 1 6 PHE QE 1 46 ARG HA 5.220 . 5.220 4.402 3.735 5.192 . 0 0 "[ . 1 . 2]" 1
241 1 6 PHE HZ 1 46 ARG HA 4.510 . 4.510 3.399 2.619 4.436 . 0 0 "[ . 1 . 2]" 1
242 1 46 ARG HA 1 47 PRO QD 3.140 . 3.140 1.882 1.832 1.961 . 0 0 "[ . 1 . 2]" 1
243 1 45 GLY HA2 1 46 ARG HA 4.940 . 4.940 4.582 4.396 4.651 . 0 0 "[ . 1 . 2]" 1
244 1 46 ARG HA 1 46 ARG QD 4.730 . 4.730 2.408 1.913 3.933 . 0 0 "[ . 1 . 2]" 1
245 1 46 ARG HA 1 47 PRO QB 4.720 . 4.720 4.603 4.554 4.681 . 0 0 "[ . 1 . 2]" 1
246 1 46 ARG HA 1 47 PRO QG 4.750 . 4.750 3.779 3.726 3.842 . 0 0 "[ . 1 . 2]" 1
247 1 46 ARG HA 1 46 ARG QG 3.690 . 3.690 2.827 2.292 2.994 . 0 0 "[ . 1 . 2]" 1
248 1 48 THR HB 1 49 CYS HA 5.330 . 5.330 4.762 4.651 4.991 . 0 0 "[ . 1 . 2]" 1
249 1 14 ASP HA 1 15 GLY H 3.150 . 3.150 3.039 2.936 3.212 0.062 13 0 "[ . 1 . 2]" 1
250 1 52 SER HA 1 53 ARG H 3.430 . 3.430 2.341 2.201 2.435 . 0 0 "[ . 1 . 2]" 1
251 1 37 THR H 1 52 SER HA 5.050 . 5.050 5.048 4.908 5.167 0.117 20 0 "[ . 1 . 2]" 1
252 1 52 SER HA 1 53 ARG HA 4.520 . 4.520 4.468 4.369 4.530 0.010 11 0 "[ . 1 . 2]" 1
253 1 8 SER H 1 9 CYS HA 5.390 . 5.390 5.227 5.055 5.409 0.019 17 0 "[ . 1 . 2]" 1
254 1 9 CYS HA 1 11 ARG H 4.270 . 4.270 3.393 3.171 3.536 . 0 0 "[ . 1 . 2]" 1
255 1 52 SER HA 1 54 CYS H 4.280 . 4.280 3.784 3.456 4.267 . 0 0 "[ . 1 . 2]" 1
256 1 9 CYS HA 1 12 MET H 4.110 . 4.110 3.656 3.555 3.814 . 0 0 "[ . 1 . 2]" 1
257 1 43 ARG HA 1 43 ARG HE 5.020 . 5.020 3.958 1.957 4.908 . 0 0 "[ . 1 . 2]" 1
258 1 9 CYS HA 1 22 ALA HA 4.770 . 4.770 2.724 2.557 2.858 . 0 0 "[ . 1 . 2]" 1
259 1 9 CYS HA 1 10 ALA HA 5.090 . 5.090 4.760 4.650 4.806 . 0 0 "[ . 1 . 2]" 1
260 1 35 CYS HB3 1 52 SER HA 5.870 . 5.870 4.917 4.689 5.128 . 0 0 "[ . 1 . 2]" 1
261 1 43 ARG HA 1 43 ARG QD 3.780 . 3.780 3.006 1.944 3.929 0.149 1 0 "[ . 1 . 2]" 1
262 1 9 CYS HA 1 11 ARG QD 4.030 . 4.030 3.528 2.910 4.170 0.140 12 0 "[ . 1 . 2]" 1
263 1 40 CYS HB2 1 41 GLU HA 4.640 . 4.640 4.709 4.667 4.751 0.111 7 0 "[ . 1 . 2]" 1
264 1 43 ARG HA 1 43 ARG QG 3.170 . 3.170 2.778 2.347 3.270 0.100 5 0 "[ . 1 . 2]" 1
265 1 9 CYS HA 1 22 ALA MB 2.820 . 2.820 2.064 1.935 2.198 . 0 0 "[ . 1 . 2]" 1
266 1 37 THR MG 1 52 SER HA 4.550 . 4.550 4.319 4.045 4.616 0.066 15 0 "[ . 1 . 2]" 1
267 1 41 GLU HA 1 50 VAL MG2 4.770 . 4.770 4.153 4.044 4.285 . 0 0 "[ . 1 . 2]" 1
268 1 40 CYS HA 1 41 GLU HA 4.850 . 4.850 4.345 4.321 4.367 . 0 0 "[ . 1 . 2]" 1
269 1 51 CYS HA 1 52 SER HA 5.230 . 5.230 4.401 4.324 4.432 . 0 0 "[ . 1 . 2]" 1
270 1 9 CYS HA 1 40 CYS HB3 4.490 . 4.490 4.212 4.045 4.301 . 0 0 "[ . 1 . 2]" 1
271 1 41 GLU HA 1 42 ARG H 3.020 . 3.020 2.235 2.173 2.275 . 0 0 "[ . 1 . 2]" 1
272 1 63 ASN HA 1 64 LEU H 3.430 . 3.430 3.199 2.672 3.483 0.053 12 0 "[ . 1 . 2]" 1
273 1 39 HIS HD2 1 41 GLU HA 4.260 . 4.260 3.528 3.314 3.714 . 0 0 "[ . 1 . 2]" 1
274 1 41 GLU HA 1 41 GLU QG 3.570 . 3.570 2.555 2.278 3.011 . 0 0 "[ . 1 . 2]" 1
275 1 41 GLU HA 1 50 VAL MG1 4.960 . 4.960 4.770 4.589 4.937 . 0 0 "[ . 1 . 2]" 1
276 1 26 CYS HA 1 29 SER H 3.900 . 3.900 3.685 3.541 3.770 . 0 0 "[ . 1 . 2]" 1
277 1 61 TRP HD1 1 64 LEU HA 4.870 . 4.870 3.751 2.213 4.760 . 0 0 "[ . 1 . 2]" 1
278 1 26 CYS HA 1 29 SER HA 5.770 . 5.770 5.624 5.436 5.767 . 0 0 "[ . 1 . 2]" 1
279 1 26 CYS HA 1 29 SER QB 4.050 . 4.050 3.016 2.652 3.965 . 0 0 "[ . 1 . 2]" 1
280 1 26 CYS HA 1 38 GLY HA3 4.860 . 4.860 4.836 4.761 4.917 0.057 15 0 "[ . 1 . 2]" 1
281 1 42 ARG HA 1 43 ARG H 2.870 . 2.870 2.055 2.016 2.111 . 0 0 "[ . 1 . 2]" 1
282 1 8 SER QB 1 26 CYS HA 4.170 . 4.170 3.358 2.379 3.949 . 0 0 "[ . 1 . 2]" 1
283 1 42 ARG HA 1 42 ARG QD 4.490 . 4.490 4.085 3.996 4.156 . 0 0 "[ . 1 . 2]" 1
284 1 42 ARG HA 1 42 ARG HG3 3.780 . 3.780 2.866 2.547 3.045 . 0 0 "[ . 1 . 2]" 1
285 1 42 ARG HA 1 42 ARG HG2 3.740 . 3.740 2.359 2.309 2.438 . 0 0 "[ . 1 . 2]" 1
286 1 4 LEU HG 1 5 ASP HA 3.890 . 3.890 3.846 3.406 4.059 0.169 2 0 "[ . 1 . 2]" 1
287 1 5 ASP HA 1 6 PHE H 3.050 . 3.050 2.229 2.150 2.381 . 0 0 "[ . 1 . 2]" 1
288 1 2 SER HA 1 3 ALA MB 4.510 . 4.510 4.374 4.128 4.673 0.163 20 0 "[ . 1 . 2]" 1
289 1 6 PHE QE 1 7 THR HA 5.380 . 5.380 5.306 4.926 5.422 0.042 13 0 "[ . 1 . 2]" 1
290 1 7 THR HA 1 10 ALA H 5.720 . 5.720 4.827 4.528 5.100 . 0 0 "[ . 1 . 2]" 1
291 1 7 THR HA 1 7 THR MG 3.330 . 3.330 2.581 2.221 3.206 . 0 0 "[ . 1 . 2]" 1
292 1 7 THR HA 1 9 CYS H 4.200 . 4.200 3.967 3.782 4.228 0.028 7 0 "[ . 1 . 2]" 1
293 1 31 LYS HA 1 31 LYS HG2 3.980 . 3.980 2.782 2.693 2.841 . 0 0 "[ . 1 . 2]" 1
294 1 48 THR HA 1 50 VAL MG1 5.080 . 5.080 4.721 4.537 4.852 . 0 0 "[ . 1 . 2]" 1
295 1 31 LYS HA 1 35 CYS H 3.320 . 3.320 2.627 2.404 2.933 . 0 0 "[ . 1 . 2]" 1
296 1 3 ALA HA 1 4 LEU HA 5.170 . 5.170 4.332 4.283 4.434 . 0 0 "[ . 1 . 2]" 1
297 1 31 LYS HA 1 34 ASN HA 5.410 . 5.410 4.025 3.594 4.309 . 0 0 "[ . 1 . 2]" 1
298 1 31 LYS HA 1 35 CYS HB2 4.640 . 4.640 3.799 3.618 4.066 . 0 0 "[ . 1 . 2]" 1
299 1 31 LYS HA 1 31 LYS HG3 3.570 . 3.570 2.813 2.711 3.003 . 0 0 "[ . 1 . 2]" 1
300 1 48 THR HA 1 48 THR MG 3.050 . 3.050 2.297 2.222 2.416 . 0 0 "[ . 1 . 2]" 1
301 1 31 LYS HA 1 31 LYS QE 5.090 . 5.090 4.611 4.112 4.984 . 0 0 "[ . 1 . 2]" 1
302 1 65 PRO HA 1 66 SER H 3.140 . 3.140 2.641 2.224 3.344 0.204 10 0 "[ . 1 . 2]" 1
303 1 37 THR HA 1 38 GLY H 3.090 . 3.090 2.423 2.157 2.604 . 0 0 "[ . 1 . 2]" 1
304 1 66 SER HA 1 67 ARG H 3.140 . 3.140 2.554 2.105 3.444 0.304 9 0 "[ . 1 . 2]" 1
305 1 30 CYS HA 1 33 GLN HG2 3.970 . 3.970 2.104 1.999 2.188 . 0 0 "[ . 1 . 2]" 1
306 1 3 ALA HA 1 4 LEU H 2.850 . 2.850 2.273 2.072 2.530 . 0 0 "[ . 1 . 2]" 1
307 1 67 ARG HA 1 67 ARG HE 4.960 . 4.960 4.151 1.882 4.892 . 0 0 "[ . 1 . 2]" 1
308 1 30 CYS HA 1 33 GLN HE21 3.990 . 3.990 2.764 2.546 2.890 . 0 0 "[ . 1 . 2]" 1
309 1 29 SER QB 1 30 CYS HA 4.880 . 4.880 4.057 3.900 4.453 . 0 0 "[ . 1 . 2]" 1
310 1 22 ALA HA 1 23 GLN HA 5.040 . 5.040 4.723 4.697 4.741 . 0 0 "[ . 1 . 2]" 1
311 1 30 CYS HA 1 35 CYS HB3 4.280 . 4.280 4.232 4.116 4.309 0.029 10 0 "[ . 1 . 2]" 1
312 1 11 ARG QG 1 22 ALA HA 3.590 . 3.590 2.352 2.199 2.558 . 0 0 "[ . 1 . 2]" 1
313 1 67 ARG HA 1 67 ARG QG 3.940 . 3.940 2.921 2.299 3.489 . 0 0 "[ . 1 . 2]" 1
314 1 21 VAL MG2 1 22 ALA HA 5.460 . 5.460 5.347 5.305 5.380 . 0 0 "[ . 1 . 2]" 1
315 1 21 VAL MG1 1 22 ALA HA 3.960 . 3.960 3.548 3.454 3.689 . 0 0 "[ . 1 . 2]" 1
316 1 3 ALA HA 1 4 LEU MD2 4.020 . 4.020 3.372 3.019 3.786 . 0 0 "[ . 1 . 2]" 1
317 1 34 ASN H 1 34 ASN HA 2.630 . 2.630 2.265 2.240 2.287 . 0 0 "[ . 1 . 2]" 1
318 1 10 ALA H 1 11 ARG HA 5.740 . 5.740 5.213 5.071 5.288 . 0 0 "[ . 1 . 2]" 1
319 1 10 ALA H 1 22 ALA HA 6.000 . 6.000 5.194 5.026 5.452 . 0 0 "[ . 1 . 2]" 1
320 1 30 CYS HA 1 35 CYS HB2 3.970 . 3.970 2.819 2.723 2.914 . 0 0 "[ . 1 . 2]" 1
321 1 3 ALA HA 1 4 LEU HB3 4.560 . 4.560 4.478 4.274 4.603 0.043 18 0 "[ . 1 . 2]" 1
322 1 11 ARG HA 1 18 GLY HA2 4.730 . 4.730 4.713 4.428 4.822 0.092 16 0 "[ . 1 . 2]" 1
323 1 11 ARG QD 1 22 ALA HA 4.130 . 4.130 3.079 2.406 4.009 . 0 0 "[ . 1 . 2]" 1
324 1 11 ARG HA 1 14 ASP HB2 4.110 . 4.110 2.507 2.074 2.845 . 0 0 "[ . 1 . 2]" 1
325 1 11 ARG HA 1 14 ASP HB3 3.940 . 3.940 3.458 2.989 3.729 . 0 0 "[ . 1 . 2]" 1
326 1 15 GLY HA3 1 18 GLY H 4.460 . 4.460 3.533 3.351 3.659 . 0 0 "[ . 1 . 2]" 1
327 1 15 GLY HA3 1 16 ALA MB 4.310 . 4.310 4.261 4.186 4.327 0.017 12 0 "[ . 1 . 2]" 1
328 1 29 SER HA 1 32 PHE HB3 4.220 . 4.220 3.967 3.004 4.269 0.049 14 0 "[ . 1 . 2]" 1
329 1 29 SER HA 1 31 LYS H 4.850 . 4.850 4.629 4.508 4.740 . 0 0 "[ . 1 . 2]" 1
330 1 29 SER HA 1 32 PHE HB2 3.780 . 3.780 2.670 2.469 2.993 . 0 0 "[ . 1 . 2]" 1
331 1 29 SER HA 1 31 LYS QB 5.540 . 5.540 5.108 4.848 5.329 . 0 0 "[ . 1 . 2]" 1
332 1 17 LEU HA 1 20 LYS H 4.170 . 4.170 3.459 3.226 3.606 . 0 0 "[ . 1 . 2]" 1
333 1 42 ARG HE 1 45 GLY HA3 5.220 . 5.220 4.081 3.948 4.265 . 0 0 "[ . 1 . 2]" 1
334 1 17 LEU HA 1 20 LYS QE 4.740 . 4.740 3.142 2.463 4.133 . 0 0 "[ . 1 . 2]" 1
335 1 17 LEU HA 1 20 LYS QB 3.540 . 3.540 2.825 2.498 3.176 . 0 0 "[ . 1 . 2]" 1
336 1 16 ALA MB 1 17 LEU HA 4.210 . 4.210 3.863 3.794 3.931 . 0 0 "[ . 1 . 2]" 1
337 1 45 GLY HA3 1 46 ARG QG 4.540 . 4.540 3.933 3.784 4.080 . 0 0 "[ . 1 . 2]" 1
338 1 17 LEU HA 1 17 LEU MD1 3.150 . 3.150 2.521 2.375 2.703 . 0 0 "[ . 1 . 2]" 1
339 1 7 THR HB 1 8 SER H 4.060 . 4.060 3.110 2.339 4.003 . 0 0 "[ . 1 . 2]" 1
340 1 6 PHE QE 1 7 THR HB 5.510 . 5.510 4.367 3.161 5.141 . 0 0 "[ . 1 . 2]" 1
341 1 7 THR HB 1 10 ALA H 5.900 . 5.900 4.051 3.171 5.093 . 0 0 "[ . 1 . 2]" 1
342 1 6 PHE HZ 1 7 THR HB 5.640 . 5.640 5.324 4.426 5.691 0.051 6 0 "[ . 1 . 2]" 1
343 1 41 GLU H 1 50 VAL HA 5.510 . 5.510 5.671 5.580 5.735 0.225 20 0 "[ . 1 . 2]" 1
344 1 50 VAL HA 1 51 CYS H 2.840 . 2.840 2.110 2.090 2.140 . 0 0 "[ . 1 . 2]" 1
345 1 37 THR HB 1 38 GLY H 4.120 . 4.120 3.671 3.513 4.054 . 0 0 "[ . 1 . 2]" 1
346 1 50 VAL HA 1 51 CYS HB2 4.590 . 4.590 4.654 4.614 4.684 0.094 2 0 "[ . 1 . 2]" 1
347 1 50 VAL HA 1 50 VAL MG1 3.150 . 3.150 2.390 2.365 2.426 . 0 0 "[ . 1 . 2]" 1
348 1 50 VAL HA 1 51 CYS HA 4.850 . 4.850 4.311 4.288 4.329 . 0 0 "[ . 1 . 2]" 1
349 1 20 LYS HA 1 20 LYS QE 4.600 . 4.600 3.473 2.465 4.461 . 0 0 "[ . 1 . 2]" 1
350 1 15 GLY HA2 1 16 ALA HA 4.550 . 4.550 4.313 4.299 4.327 . 0 0 "[ . 1 . 2]" 1
351 1 20 LYS HA 1 20 LYS QD 3.960 . 3.960 2.253 1.796 3.993 0.033 10 0 "[ . 1 . 2]" 1
352 1 50 VAL HA 1 50 VAL HB 2.970 . 2.970 2.433 2.421 2.446 . 0 0 "[ . 1 . 2]" 1
353 1 29 SER QB 1 30 CYS H 3.480 . 3.480 2.861 2.622 3.540 0.060 1 0 "[ . 1 . 2]" 1
354 1 20 LYS HA 1 23 GLN QG 3.940 . 3.940 2.160 1.848 2.407 . 0 0 "[ . 1 . 2]" 1
355 1 29 SER H 1 29 SER QB 3.110 . 3.110 2.428 2.227 2.644 . 0 0 "[ . 1 . 2]" 1
356 1 28 SER QB 1 32 PHE H 5.840 . 5.840 4.822 4.644 4.992 . 0 0 "[ . 1 . 2]" 1
357 1 29 SER QB 1 32 PHE H 6.000 . 6.000 4.970 4.798 5.188 . 0 0 "[ . 1 . 2]" 1
358 1 28 SER H 1 28 SER QB 2.950 . 2.950 2.596 2.525 2.644 . 0 0 "[ . 1 . 2]" 1
359 1 29 SER QB 1 33 GLN HE21 5.060 . 5.060 3.324 2.913 3.920 . 0 0 "[ . 1 . 2]" 1
360 1 28 SER QB 1 32 PHE HB2 5.510 . 5.510 5.120 4.435 5.557 0.047 20 0 "[ . 1 . 2]" 1
361 1 29 SER QB 1 32 PHE HB2 5.770 . 5.770 4.420 4.117 5.020 . 0 0 "[ . 1 . 2]" 1
362 1 28 SER QB 1 31 LYS QE 4.640 . 4.640 4.620 4.206 4.944 0.304 20 0 "[ . 1 . 2]" 1
363 1 8 SER HA 1 10 ALA H 4.480 . 4.480 3.875 3.663 4.347 . 0 0 "[ . 1 . 2]" 1
364 1 24 ALA HA 1 27 ILE HB 3.340 . 3.340 3.075 2.920 3.287 . 0 0 "[ . 1 . 2]" 1
365 1 38 GLY HA3 1 39 HIS H 3.320 . 3.320 2.934 2.790 2.999 . 0 0 "[ . 1 . 2]" 1
366 1 38 GLY HA3 1 51 CYS HB3 4.570 . 4.570 4.407 4.206 4.569 . 0 0 "[ . 1 . 2]" 1
367 1 35 CYS HB2 1 38 GLY HA3 5.650 . 5.650 5.594 5.446 5.772 0.122 20 0 "[ . 1 . 2]" 1
368 1 30 CYS QB 1 38 GLY HA3 3.990 . 3.990 2.818 2.611 3.146 . 0 0 "[ . 1 . 2]" 1
369 1 55 GLY QA 1 56 ASN H 3.270 . 3.270 2.435 2.099 2.768 . 0 0 "[ . 1 . 2]" 1
370 1 23 GLN HA 1 23 GLN HE21 5.310 . 5.310 5.024 4.924 5.107 . 0 0 "[ . 1 . 2]" 1
371 1 34 ASN HB3 1 55 GLY QA 4.170 . 4.170 4.179 3.755 4.391 0.221 15 0 "[ . 1 . 2]" 1
372 1 23 GLN HA 1 26 CYS QB 3.530 . 3.530 2.477 2.374 2.572 . 0 0 "[ . 1 . 2]" 1
373 1 23 GLN HA 1 40 CYS H 4.320 . 4.320 3.685 3.412 3.831 . 0 0 "[ . 1 . 2]" 1
374 1 23 GLN HA 1 26 CYS H 3.600 . 3.600 3.390 3.281 3.469 . 0 0 "[ . 1 . 2]" 1
375 1 18 GLY HA3 1 19 ALA H 3.240 . 3.240 2.785 2.709 2.867 . 0 0 "[ . 1 . 2]" 1
376 1 12 MET HA 1 19 ALA HA 2.930 . 2.930 2.143 1.959 2.444 . 0 0 "[ . 1 . 2]" 1
377 1 27 ILE HA 1 28 SER HA 4.920 . 4.920 4.766 4.734 4.790 . 0 0 "[ . 1 . 2]" 1
378 1 12 MET HB2 1 19 ALA HA 3.900 . 3.900 3.653 3.329 3.943 0.043 20 0 "[ . 1 . 2]" 1
379 1 28 SER HA 1 31 LYS QD 3.450 . 3.450 2.004 1.825 2.283 . 0 0 "[ . 1 . 2]" 1
380 1 27 ILE MG 1 28 SER HA 3.510 . 3.510 3.270 3.183 3.380 . 0 0 "[ . 1 . 2]" 1
381 1 19 ALA HA 1 20 LYS QE 5.600 . 5.600 5.561 4.777 5.960 0.360 10 0 "[ . 1 . 2]" 1
382 1 19 ALA HA 1 20 LYS QB 5.480 . 5.480 5.245 5.113 5.407 . 0 0 "[ . 1 . 2]" 1
383 1 53 ARG HA 1 53 ARG QG 3.390 . 3.390 2.938 2.748 3.159 . 0 0 "[ . 1 . 2]" 1
384 1 53 ARG HA 1 53 ARG QD 4.150 . 4.150 2.599 1.830 3.256 . 0 0 "[ . 1 . 2]" 1
385 1 14 ASP H 1 18 GLY HA3 3.760 . 3.760 2.914 2.781 3.049 . 0 0 "[ . 1 . 2]" 1
386 1 35 CYS HB3 1 36 GLY HA2 5.170 . 5.170 5.038 4.940 5.118 . 0 0 "[ . 1 . 2]" 1
387 1 14 ASP HB2 1 18 GLY HA3 3.860 . 3.860 3.434 3.312 3.558 . 0 0 "[ . 1 . 2]" 1
388 1 28 SER HA 1 31 LYS QE 4.160 . 4.160 3.592 3.058 3.961 . 0 0 "[ . 1 . 2]" 1
389 1 14 ASP HB3 1 18 GLY HA3 3.600 . 3.600 1.912 1.780 2.157 0.020 8 0 "[ . 1 . 2]" 1
390 1 17 LEU QB 1 18 GLY HA3 4.340 . 4.340 4.237 4.147 4.353 0.013 13 0 "[ . 1 . 2]" 1
391 1 18 GLY HA3 1 21 VAL MG1 5.410 . 5.410 5.390 5.257 5.450 0.040 14 0 "[ . 1 . 2]" 1
392 1 15 GLY H 1 15 GLY HA2 2.850 . 2.850 2.363 2.310 2.478 . 0 0 "[ . 1 . 2]" 1
393 1 15 GLY HA2 1 16 ALA MB 4.390 . 4.390 4.263 4.196 4.332 . 0 0 "[ . 1 . 2]" 1
394 1 15 GLY HA2 1 16 ALA H 3.420 . 3.420 2.555 2.453 2.787 . 0 0 "[ . 1 . 2]" 1
395 1 40 CYS HA 1 48 THR HB 6.000 . 6.000 5.524 5.390 5.809 . 0 0 "[ . 1 . 2]" 1
396 1 48 THR H 1 48 THR HB 3.210 . 3.210 2.782 2.627 3.015 . 0 0 "[ . 1 . 2]" 1
397 1 10 ALA HA 1 12 MET HG3 4.610 . 4.610 4.586 4.227 4.665 0.055 9 0 "[ . 1 . 2]" 1
398 1 10 ALA HA 1 47 PRO QB 3.580 . 3.580 2.488 2.062 2.783 . 0 0 "[ . 1 . 2]" 1
399 1 10 ALA HA 1 47 PRO QG 3.790 . 3.790 2.383 1.939 3.158 . 0 0 "[ . 1 . 2]" 1
400 1 48 THR HB 1 50 VAL MG1 3.860 . 3.860 2.724 2.526 2.976 . 0 0 "[ . 1 . 2]" 1
401 1 2 SER QB 1 3 ALA H 4.180 . 4.180 3.798 3.654 4.051 . 0 0 "[ . 1 . 2]" 1
402 1 2 SER QB 1 3 ALA MB 4.720 . 4.720 4.321 3.598 4.800 0.080 2 0 "[ . 1 . 2]" 1
403 1 12 MET HA 1 14 ASP H 4.270 . 4.270 3.719 3.547 3.892 . 0 0 "[ . 1 . 2]" 1
404 1 47 PRO QD 1 48 THR H 5.140 . 5.140 4.810 4.707 4.958 . 0 0 "[ . 1 . 2]" 1
405 1 51 CYS HA 1 52 SER QB 5.340 . 5.340 4.301 3.922 4.449 . 0 0 "[ . 1 . 2]" 1
406 1 12 MET HA 1 22 ALA MB 2.930 . 2.930 2.730 2.433 2.957 0.027 12 0 "[ . 1 . 2]" 1
407 1 21 VAL HA 1 24 ALA MB 3.100 . 3.100 2.700 2.621 2.821 . 0 0 "[ . 1 . 2]" 1
408 1 52 SER H 1 52 SER QB 3.850 . 3.850 2.686 2.583 3.167 . 0 0 "[ . 1 . 2]" 1
409 1 12 MET HA 1 20 LYS H 5.900 . 5.900 5.334 5.130 5.666 . 0 0 "[ . 1 . 2]" 1
410 1 20 LYS H 1 21 VAL HA 6.000 . 6.000 5.222 5.112 5.304 . 0 0 "[ . 1 . 2]" 1
411 1 6 PHE HZ 1 47 PRO QD 5.010 . 5.010 2.723 1.969 4.245 . 0 0 "[ . 1 . 2]" 1
412 1 46 ARG QD 1 47 PRO QD 5.080 . 5.080 3.229 2.648 4.624 . 0 0 "[ . 1 . 2]" 1
413 1 21 VAL HA 1 23 GLN QG 5.240 . 5.240 4.623 4.515 4.703 . 0 0 "[ . 1 . 2]" 1
414 1 52 SER QB 1 53 ARG QG 3.160 . 3.160 2.841 2.591 3.219 0.059 14 0 "[ . 1 . 2]" 1
415 1 46 ARG QB 1 47 PRO QD 3.720 . 3.720 3.194 2.974 3.377 . 0 0 "[ . 1 . 2]" 1
416 1 21 VAL HA 1 21 VAL MG2 2.800 . 2.800 2.434 2.401 2.481 . 0 0 "[ . 1 . 2]" 1
417 1 37 THR MG 1 52 SER QB 3.370 . 3.370 2.096 1.831 3.222 . 0 0 "[ . 1 . 2]" 1
418 1 36 GLY HA3 1 37 THR H 3.370 . 3.370 2.783 2.698 2.960 . 0 0 "[ . 1 . 2]" 1
419 1 42 ARG QD 1 47 PRO QD 4.080 . 4.080 3.864 3.189 4.192 0.112 13 0 "[ . 1 . 2]" 1
420 1 42 ARG HE 1 47 PRO QD 5.240 . 5.240 3.574 2.592 4.814 . 0 0 "[ . 1 . 2]" 1
421 1 35 CYS HB3 1 36 GLY HA3 4.930 . 4.930 4.834 4.714 4.979 0.049 11 0 "[ . 1 . 2]" 1
422 1 36 GLY HA3 1 53 ARG QB 3.530 . 3.530 2.202 1.869 2.832 . 0 0 "[ . 1 . 2]" 1
423 1 36 GLY HA3 1 54 CYS HA 5.410 . 5.410 5.088 4.253 5.554 0.144 15 0 "[ . 1 . 2]" 1
424 1 62 PRO QD 1 64 LEU H 5.300 . 5.300 3.772 3.225 4.310 . 0 0 "[ . 1 . 2]" 1
425 1 8 SER QB 1 49 CYS HB2 3.850 . 3.850 2.700 2.212 3.507 . 0 0 "[ . 1 . 2]" 1
426 1 8 SER QB 1 49 CYS HB3 3.850 . 3.850 3.289 2.827 3.932 0.082 19 0 "[ . 1 . 2]" 1
427 1 8 SER QB 1 9 CYS H 3.630 . 3.630 3.036 2.879 3.489 . 0 0 "[ . 1 . 2]" 1
428 1 8 SER QB 1 10 ALA H 5.060 . 5.060 4.700 4.536 5.009 . 0 0 "[ . 1 . 2]" 1
429 1 42 ARG QD 1 45 GLY HA2 4.030 . 4.030 4.101 3.910 4.176 0.146 2 0 "[ . 1 . 2]" 1
430 1 45 GLY HA2 1 46 ARG QG 4.760 . 4.760 4.901 4.623 5.000 0.240 14 0 "[ . 1 . 2]" 1
431 1 18 GLY HA2 1 22 ALA H 4.250 . 4.250 3.833 3.762 3.938 . 0 0 "[ . 1 . 2]" 1
432 1 18 GLY HA2 1 21 VAL H 3.950 . 3.950 3.321 3.230 3.386 . 0 0 "[ . 1 . 2]" 1
433 1 14 ASP H 1 18 GLY HA2 4.680 . 4.680 4.547 4.328 4.701 0.021 12 0 "[ . 1 . 2]" 1
434 1 14 ASP HB3 1 18 GLY HA2 3.880 . 3.880 2.876 2.700 3.027 . 0 0 "[ . 1 . 2]" 1
435 1 11 ARG QB 1 18 GLY HA2 3.810 . 3.810 2.606 2.527 2.713 . 0 0 "[ . 1 . 2]" 1
436 1 18 GLY HA2 1 21 VAL HB 3.640 . 3.640 2.718 2.597 2.776 . 0 0 "[ . 1 . 2]" 1
437 1 18 GLY HA2 1 21 VAL MG2 3.520 . 3.520 2.684 2.523 2.795 . 0 0 "[ . 1 . 2]" 1
438 1 18 GLY HA2 1 21 VAL MG1 4.180 . 4.180 4.078 3.939 4.131 . 0 0 "[ . 1 . 2]" 1
439 1 61 TRP H 1 65 PRO QD 5.720 . 5.720 5.106 3.837 5.651 . 0 0 "[ . 1 . 2]" 1
440 1 17 LEU MD1 1 18 GLY HA2 4.430 . 4.430 3.742 3.475 4.045 . 0 0 "[ . 1 . 2]" 1
441 1 6 PHE H 1 6 PHE HB3 3.840 . 3.840 2.902 2.734 3.023 . 0 0 "[ . 1 . 2]" 1
442 1 40 CYS HB3 1 41 GLU HB2 6.000 . 6.000 5.668 5.581 5.754 . 0 0 "[ . 1 . 2]" 1
443 1 40 CYS HB3 1 49 CYS H 5.840 . 5.840 5.868 5.795 5.973 0.133 13 0 "[ . 1 . 2]" 1
444 1 40 CYS HB3 1 41 GLU H 3.660 . 3.660 3.290 3.246 3.355 . 0 0 "[ . 1 . 2]" 1
445 1 39 HIS HD2 1 40 CYS HB3 5.740 . 5.740 5.568 5.439 5.692 . 0 0 "[ . 1 . 2]" 1
446 1 12 MET ME 1 40 CYS HB3 3.260 . 3.260 1.818 1.766 1.904 0.034 1 0 "[ . 1 . 2]" 1
447 1 40 CYS HB3 1 50 VAL MG2 5.820 . 5.820 5.584 5.535 5.682 . 0 0 "[ . 1 . 2]" 1
448 1 40 CYS HB3 1 50 VAL MG1 6.000 . 6.000 5.950 5.842 6.016 0.016 15 0 "[ . 1 . 2]" 1
449 1 9 CYS H 1 9 CYS HB3 3.650 . 3.650 3.625 3.568 3.664 0.014 3 0 "[ . 1 . 2]" 1
450 1 9 CYS HB3 1 12 MET H 4.450 . 4.450 4.031 3.882 4.190 . 0 0 "[ . 1 . 2]" 1
451 1 9 CYS HB3 1 10 ALA H 4.730 . 4.730 4.280 4.169 4.342 . 0 0 "[ . 1 . 2]" 1
452 1 9 CYS HB3 1 12 MET HA 5.880 . 5.880 5.403 5.171 5.705 . 0 0 "[ . 1 . 2]" 1
453 1 9 CYS HB3 1 11 ARG QD 6.000 . 6.000 5.608 5.110 6.096 0.096 12 0 "[ . 1 . 2]" 1
454 1 9 CYS HB3 1 12 MET HB3 3.990 . 3.990 3.103 2.890 3.449 . 0 0 "[ . 1 . 2]" 1
455 1 29 SER H 1 32 PHE HB2 5.270 . 5.270 5.056 4.757 5.256 . 0 0 "[ . 1 . 2]" 1
456 1 31 LYS H 1 32 PHE HB2 4.870 . 4.870 4.715 4.500 4.853 . 0 0 "[ . 1 . 2]" 1
457 1 32 PHE H 1 32 PHE HB2 3.230 . 3.230 2.228 2.027 2.366 . 0 0 "[ . 1 . 2]" 1
458 1 32 PHE HB2 1 33 GLN H 3.830 . 3.830 3.086 2.791 3.673 . 0 0 "[ . 1 . 2]" 1
459 1 9 CYS HB3 1 48 THR MG 6.000 . 6.000 5.888 5.726 6.024 0.024 14 0 "[ . 1 . 2]" 1
460 1 35 CYS HB3 1 51 CYS H 5.900 . 5.900 5.669 5.547 5.781 . 0 0 "[ . 1 . 2]" 1
461 1 35 CYS HB3 1 52 SER H 3.930 . 3.930 3.358 3.107 3.597 . 0 0 "[ . 1 . 2]" 1
462 1 61 TRP HB2 1 64 LEU H 4.810 . 4.810 3.522 2.614 4.624 . 0 0 "[ . 1 . 2]" 1
463 1 35 CYS HB3 1 37 THR H 3.980 . 3.980 3.080 2.940 3.397 . 0 0 "[ . 1 . 2]" 1
464 1 30 CYS QB 1 35 CYS HB3 3.360 . 3.360 2.590 2.498 2.672 . 0 0 "[ . 1 . 2]" 1
465 1 35 CYS HB3 1 36 GLY H 3.740 . 3.740 3.074 2.943 3.143 . 0 0 "[ . 1 . 2]" 1
466 1 32 PHE HB3 1 33 GLN H 3.910 . 3.910 3.403 2.704 3.690 . 0 0 "[ . 1 . 2]" 1
467 1 32 PHE HB3 1 33 GLN HG2 5.030 . 5.030 4.837 3.789 5.126 0.096 2 0 "[ . 1 . 2]" 1
468 1 32 PHE HB3 1 33 GLN HA 4.940 . 4.940 4.225 3.974 4.426 . 0 0 "[ . 1 . 2]" 1
469 1 27 ILE HA 1 30 CYS H 3.860 . 3.860 3.561 3.472 3.617 . 0 0 "[ . 1 . 2]" 1
470 1 27 ILE HA 1 29 SER H 4.830 . 4.830 4.636 4.580 4.713 . 0 0 "[ . 1 . 2]" 1
471 1 27 ILE HA 1 38 GLY H 3.860 . 3.860 2.828 2.219 3.046 . 0 0 "[ . 1 . 2]" 1
472 1 27 ILE HA 1 28 SER QB 6.000 . 6.000 5.543 5.492 5.584 . 0 0 "[ . 1 . 2]" 1
473 1 27 ILE HA 1 29 SER QB 6.000 . 6.000 5.479 5.146 6.208 0.208 13 0 "[ . 1 . 2]" 1
474 1 29 SER QB 1 32 PHE HB3 6.000 . 6.000 5.395 4.212 6.024 0.024 17 0 "[ . 1 . 2]" 1
475 1 27 ILE HA 1 30 CYS QB 3.290 . 3.290 2.668 2.562 2.739 . 0 0 "[ . 1 . 2]" 1
476 1 26 CYS H 1 27 ILE HA 5.460 . 5.460 5.248 5.217 5.285 . 0 0 "[ . 1 . 2]" 1
477 1 27 ILE HA 1 38 GLY HA3 4.710 . 4.710 2.479 2.379 2.674 . 0 0 "[ . 1 . 2]" 1
478 1 43 ARG QD 1 50 VAL MG2 5.020 . 5.020 4.445 3.612 4.930 . 0 0 "[ . 1 . 2]" 1
479 1 39 HIS QB 1 41 GLU H 6.000 . 6.000 5.611 5.540 5.688 . 0 0 "[ . 1 . 2]" 1
480 1 41 GLU H 1 43 ARG QD 6.000 . 6.000 5.831 3.928 6.122 0.122 4 0 "[ . 1 . 2]" 1
481 1 43 ARG QD 1 48 THR H 6.000 . 6.000 5.520 3.981 5.931 . 0 0 "[ . 1 . 2]" 1
482 1 43 ARG QD 1 48 THR HB 5.130 . 5.130 4.228 3.400 5.137 0.007 11 0 "[ . 1 . 2]" 1
483 1 41 GLU QG 1 43 ARG QD 5.220 . 5.220 3.622 2.009 4.426 . 0 0 "[ . 1 . 2]" 1
484 1 39 HIS H 1 39 HIS QB 3.730 . 3.730 3.149 3.100 3.180 . 0 0 "[ . 1 . 2]" 1
485 1 34 ASN HB3 1 35 CYS HA 5.860 . 5.860 4.712 4.424 4.871 . 0 0 "[ . 1 . 2]" 1
486 1 39 HIS QB 1 40 CYS H 3.210 . 3.210 2.705 2.621 2.820 . 0 0 "[ . 1 . 2]" 1
487 1 54 CYS H 1 54 CYS HB2 4.070 . 4.070 2.512 2.452 2.803 . 0 0 "[ . 1 . 2]" 1
488 1 34 ASN H 1 34 ASN HB3 4.130 . 4.130 3.758 3.693 3.886 . 0 0 "[ . 1 . 2]" 1
489 1 33 GLN H 1 34 ASN HB3 6.000 . 6.000 5.734 5.630 5.819 . 0 0 "[ . 1 . 2]" 1
490 1 39 HIS QB 1 39 HIS HD2 3.390 . 3.390 2.783 2.754 2.861 . 0 0 "[ . 1 . 2]" 1
491 1 34 ASN HB3 1 34 ASN HD22 4.020 . 4.020 3.496 3.456 3.738 . 0 0 "[ . 1 . 2]" 1
492 1 39 HIS QB 1 39 HIS HE1 4.730 . 4.730 4.422 4.398 4.434 . 0 0 "[ . 1 . 2]" 1
493 1 61 TRP HB3 1 64 LEU H 4.810 . 4.810 3.051 2.081 4.762 . 0 0 "[ . 1 . 2]" 1
494 1 61 TRP H 1 61 TRP HB3 3.960 . 3.960 3.739 3.433 4.084 0.124 6 0 "[ . 1 . 2]" 1
495 1 42 ARG QD 1 45 GLY HA3 5.920 . 5.920 5.537 5.292 5.646 . 0 0 "[ . 1 . 2]" 1
496 1 42 ARG HB2 1 42 ARG QD 3.090 . 3.090 2.470 2.373 2.588 . 0 0 "[ . 1 . 2]" 1
497 1 11 ARG H 1 11 ARG QD 4.360 . 4.360 1.879 1.676 2.320 0.124 9 0 "[ . 1 . 2]" 1
498 1 11 ARG QD 1 21 VAL HB 4.370 . 4.370 4.143 3.796 4.441 0.071 7 0 "[ . 1 . 2]" 1
499 1 53 ARG QB 1 53 ARG QD 3.420 . 3.420 2.376 2.313 2.916 . 0 0 "[ . 1 . 2]" 1
500 1 42 ARG HB3 1 42 ARG QD 2.880 . 2.880 2.772 2.591 2.924 0.044 15 0 "[ . 1 . 2]" 1
501 1 11 ARG QD 1 21 VAL MG2 5.090 . 5.090 5.026 4.843 5.179 0.089 17 0 "[ . 1 . 2]" 1
502 1 53 ARG H 1 53 ARG QD 5.200 . 5.200 3.709 2.386 4.357 . 0 0 "[ . 1 . 2]" 1
503 1 10 ALA HA 1 11 ARG QD 5.170 . 5.170 4.811 4.625 5.202 0.032 10 0 "[ . 1 . 2]" 1
504 1 8 SER H 1 49 CYS HB2 5.300 . 5.300 4.178 3.618 4.644 . 0 0 "[ . 1 . 2]" 1
505 1 31 LYS H 1 35 CYS HB2 4.200 . 4.200 4.104 3.979 4.280 0.080 20 0 "[ . 1 . 2]" 1
506 1 35 CYS H 1 35 CYS HB2 3.660 . 3.660 2.488 2.397 2.583 . 0 0 "[ . 1 . 2]" 1
507 1 35 CYS HB2 1 51 CYS HA 5.860 . 5.860 4.931 4.752 5.058 . 0 0 "[ . 1 . 2]" 1
508 1 30 CYS QB 1 35 CYS HB2 3.250 . 3.250 1.988 1.872 2.074 . 0 0 "[ . 1 . 2]" 1
509 1 20 LYS QE 1 23 GLN QG 5.500 . 5.500 5.130 3.958 5.730 0.230 10 0 "[ . 1 . 2]" 1
510 1 20 LYS QB 1 20 LYS QE 4.260 . 4.260 2.057 1.878 3.254 . 0 0 "[ . 1 . 2]" 1
511 1 20 LYS QE 1 20 LYS HG2 3.800 . 3.800 2.548 2.313 2.893 . 0 0 "[ . 1 . 2]" 1
512 1 17 LEU MD1 1 20 LYS QE 4.550 . 4.550 4.447 3.912 4.643 0.093 5 0 "[ . 1 . 2]" 1
513 1 17 LEU MD2 1 20 LYS QE 4.480 . 4.480 3.674 3.081 4.118 . 0 0 "[ . 1 . 2]" 1
514 1 20 LYS QE 1 21 VAL H 5.240 . 5.240 4.689 4.202 5.233 . 0 0 "[ . 1 . 2]" 1
515 1 33 GLN H 1 35 CYS HB2 5.320 . 5.320 4.329 4.171 4.439 . 0 0 "[ . 1 . 2]" 1
516 1 14 ASP H 1 14 ASP HB2 3.270 . 3.270 2.810 2.703 3.072 . 0 0 "[ . 1 . 2]" 1
517 1 14 ASP HB2 1 15 GLY H 4.650 . 4.650 4.465 4.326 4.534 . 0 0 "[ . 1 . 2]" 1
518 1 14 ASP HB2 1 18 GLY HA2 4.320 . 4.320 4.312 4.118 4.410 0.090 12 0 "[ . 1 . 2]" 1
519 1 11 ARG QB 1 14 ASP HB2 4.060 . 4.060 3.207 2.659 3.630 . 0 0 "[ . 1 . 2]" 1
520 1 13 ASN H 1 14 ASP HB2 4.420 . 4.420 3.861 3.648 4.048 . 0 0 "[ . 1 . 2]" 1
521 1 12 MET H 1 14 ASP HB2 5.590 . 5.590 5.277 5.016 5.579 . 0 0 "[ . 1 . 2]" 1
522 1 28 SER H 1 31 LYS QE 5.890 . 5.890 5.358 4.634 5.776 . 0 0 "[ . 1 . 2]" 1
523 1 31 LYS QE 1 31 LYS HG3 3.500 . 3.500 3.331 2.693 3.509 0.009 19 0 "[ . 1 . 2]" 1
524 1 31 LYS QE 1 31 LYS HG2 3.790 . 3.790 2.663 2.311 3.016 . 0 0 "[ . 1 . 2]" 1
525 1 27 ILE MG 1 31 LYS QE 3.170 . 3.170 3.097 1.790 3.585 0.415 12 0 "[ . 1 . 2]" 1
526 1 12 MET HB3 1 40 CYS HB2 4.580 . 4.580 3.687 3.490 3.814 . 0 0 "[ . 1 . 2]" 1
527 1 40 CYS H 1 40 CYS HB2 3.270 . 3.270 2.480 2.439 2.526 . 0 0 "[ . 1 . 2]" 1
528 1 39 HIS HD2 1 40 CYS HB2 5.260 . 5.260 4.916 4.766 5.101 . 0 0 "[ . 1 . 2]" 1
529 1 9 CYS HB2 1 40 CYS HB2 5.430 . 5.430 4.946 4.841 5.087 . 0 0 "[ . 1 . 2]" 1
530 1 30 CYS QB 1 31 LYS QE 5.960 . 5.960 5.671 4.778 5.952 . 0 0 "[ . 1 . 2]" 1
531 1 12 MET ME 1 40 CYS HB2 3.310 . 3.310 2.510 2.360 2.662 . 0 0 "[ . 1 . 2]" 1
532 1 12 MET HA 1 40 CYS HB2 5.490 . 5.490 5.418 5.217 5.564 0.074 14 0 "[ . 1 . 2]" 1
533 1 33 GLN QB 1 34 ASN HB2 5.360 . 5.360 5.085 4.900 5.264 . 0 0 "[ . 1 . 2]" 1
534 1 34 ASN H 1 34 ASN HB2 3.580 . 3.580 3.223 3.178 3.261 . 0 0 "[ . 1 . 2]" 1
535 1 34 ASN HB2 1 55 GLY QA 5.790 . 5.790 5.425 5.131 5.794 0.004 15 0 "[ . 1 . 2]" 1
536 1 6 PHE H 1 6 PHE HB2 3.700 . 3.700 3.709 3.683 3.734 0.034 18 0 "[ . 1 . 2]" 1
537 1 6 PHE HB2 1 7 THR HA 4.900 . 4.900 4.870 4.710 5.019 0.119 10 0 "[ . 1 . 2]" 1
538 1 46 ARG H 1 46 ARG QD 4.780 . 4.780 3.869 3.490 4.448 . 0 0 "[ . 1 . 2]" 1
539 1 5 ASP HB2 1 6 PHE H 4.490 . 4.490 3.476 2.407 4.484 . 0 0 "[ . 1 . 2]" 1
540 1 14 ASP HB3 1 21 VAL HB 5.430 . 5.430 5.150 4.886 5.288 . 0 0 "[ . 1 . 2]" 1
541 1 14 ASP HB3 1 17 LEU QB 4.900 . 4.900 4.828 4.509 4.997 0.097 13 0 "[ . 1 . 2]" 1
542 1 11 ARG H 1 14 ASP HB3 6.000 . 6.000 5.925 5.611 6.102 0.102 4 0 "[ . 1 . 2]" 1
543 1 63 ASN H 1 63 ASN HB3 4.120 . 4.120 3.173 2.346 3.831 . 0 0 "[ . 1 . 2]" 1
544 1 14 ASP H 1 14 ASP HB3 3.120 . 3.120 2.667 2.521 2.766 . 0 0 "[ . 1 . 2]" 1
545 1 14 ASP HB3 1 15 GLY H 4.130 . 4.130 3.925 3.575 4.064 . 0 0 "[ . 1 . 2]" 1
546 1 14 ASP HB3 1 18 GLY H 3.730 . 3.730 3.420 3.180 3.575 . 0 0 "[ . 1 . 2]" 1
547 1 11 ARG QB 1 14 ASP HB3 4.040 . 4.040 3.054 2.659 3.214 . 0 0 "[ . 1 . 2]" 1
548 1 36 GLY H 1 51 CYS HB2 6.000 . 6.000 6.177 6.101 6.226 0.226 6 0 "[ . 1 . 2]" 1
549 1 35 CYS HB3 1 51 CYS HB2 3.910 . 3.910 3.373 3.235 3.532 . 0 0 "[ . 1 . 2]" 1
550 1 49 CYS H 1 49 CYS HB3 3.680 . 3.680 2.331 2.304 2.355 . 0 0 "[ . 1 . 2]" 1
551 1 5 ASP H 1 5 ASP HB3 3.880 . 3.880 3.295 2.787 3.847 . 0 0 "[ . 1 . 2]" 1
552 1 9 CYS H 1 9 CYS HB2 3.310 . 3.310 2.394 2.321 2.451 . 0 0 "[ . 1 . 2]" 1
553 1 26 CYS QB 1 27 ILE H 3.670 . 3.670 2.310 2.253 2.388 . 0 0 "[ . 1 . 2]" 1
554 1 26 CYS QB 1 40 CYS H 4.430 . 4.430 3.999 3.854 4.125 . 0 0 "[ . 1 . 2]" 1
555 1 12 MET HA 1 12 MET HG3 3.820 . 3.820 3.612 3.572 3.644 . 0 0 "[ . 1 . 2]" 1
556 1 9 CYS HB2 1 41 GLU H 5.110 . 5.110 4.363 4.229 4.527 . 0 0 "[ . 1 . 2]" 1
557 1 9 CYS HB2 1 48 THR H 5.480 . 5.480 3.973 3.662 4.188 . 0 0 "[ . 1 . 2]" 1
558 1 30 CYS H 1 30 CYS QB 3.030 . 3.030 2.306 2.268 2.337 . 0 0 "[ . 1 . 2]" 1
559 1 29 SER H 1 30 CYS QB 4.530 . 4.530 4.591 4.553 4.640 0.110 2 0 "[ . 1 . 2]" 1
560 1 30 CYS QB 1 38 GLY H 4.870 . 4.870 3.715 3.227 3.842 . 0 0 "[ . 1 . 2]" 1
561 1 26 CYS QB 1 29 SER QB 5.730 . 5.730 4.839 4.467 5.620 . 0 0 "[ . 1 . 2]" 1
562 1 29 SER QB 1 30 CYS QB 5.600 . 5.600 4.577 4.357 5.175 . 0 0 "[ . 1 . 2]" 1
563 1 30 CYS QB 1 31 LYS HG3 3.500 . 3.500 3.164 2.990 3.394 . 0 0 "[ . 1 . 2]" 1
564 1 30 CYS QB 1 35 CYS H 4.200 . 4.200 3.962 3.674 4.112 . 0 0 "[ . 1 . 2]" 1
565 1 33 GLN HG3 1 35 CYS H 4.640 . 4.640 3.499 3.228 3.664 . 0 0 "[ . 1 . 2]" 1
566 1 33 GLN H 1 33 GLN HG3 3.880 . 3.880 3.118 2.980 3.287 . 0 0 "[ . 1 . 2]" 1
567 1 33 GLN HE21 1 33 GLN HG3 3.430 . 3.430 3.447 3.437 3.455 0.025 15 0 "[ . 1 . 2]" 1
568 1 30 CYS QB 1 31 LYS HA 5.940 . 5.940 3.884 3.836 3.927 . 0 0 "[ . 1 . 2]" 1
569 1 9 CYS HB2 1 48 THR HA 6.000 . 6.000 3.120 2.916 3.287 . 0 0 "[ . 1 . 2]" 1
570 1 13 ASN HB3 1 14 ASP H 5.090 . 5.090 4.550 4.408 4.659 . 0 0 "[ . 1 . 2]" 1
571 1 33 GLN HG3 1 34 ASN H 5.510 . 5.510 3.977 3.871 4.101 . 0 0 "[ . 1 . 2]" 1
572 1 23 GLN QG 1 27 ILE H 4.740 . 4.740 4.775 4.688 4.823 0.083 12 0 "[ . 1 . 2]" 1
573 1 22 ALA H 1 23 GLN QG 5.110 . 5.110 4.448 4.361 4.567 . 0 0 "[ . 1 . 2]" 1
574 1 21 VAL H 1 23 GLN QG 5.400 . 5.400 4.535 4.372 4.679 . 0 0 "[ . 1 . 2]" 1
575 1 23 GLN QG 1 25 ALA H 5.740 . 5.740 4.474 4.441 4.517 . 0 0 "[ . 1 . 2]" 1
576 1 23 GLN H 1 23 GLN QG 3.450 . 3.450 2.468 2.345 2.562 . 0 0 "[ . 1 . 2]" 1
577 1 23 GLN QG 1 24 ALA H 3.710 . 3.710 2.170 2.106 2.253 . 0 0 "[ . 1 . 2]" 1
578 1 23 GLN QG 1 24 ALA HA 4.530 . 4.530 3.111 3.048 3.151 . 0 0 "[ . 1 . 2]" 1
579 1 23 GLN HA 1 23 GLN QG 3.300 . 3.300 3.326 3.317 3.334 0.034 10 0 "[ . 1 . 2]" 1
580 1 20 LYS QD 1 23 GLN QG 5.510 . 5.510 3.679 2.525 5.124 . 0 0 "[ . 1 . 2]" 1
581 1 23 GLN QG 1 24 ALA MB 3.710 . 3.710 3.040 2.994 3.095 . 0 0 "[ . 1 . 2]" 1
582 1 23 GLN QG 1 27 ILE MD 2.930 . 2.930 2.835 2.748 2.939 0.009 17 0 "[ . 1 . 2]" 1
583 1 20 LYS QB 1 23 GLN QG 4.690 . 4.690 3.956 3.381 4.231 . 0 0 "[ . 1 . 2]" 1
584 1 30 CYS H 1 33 GLN HG2 5.510 . 5.510 4.408 4.268 4.475 . 0 0 "[ . 1 . 2]" 1
585 1 33 GLN HG2 1 35 CYS H 6.000 . 6.000 3.866 3.657 4.091 . 0 0 "[ . 1 . 2]" 1
586 1 32 PHE H 1 33 GLN HG2 4.790 . 4.790 4.132 4.034 4.241 . 0 0 "[ . 1 . 2]" 1
587 1 33 GLN H 1 33 GLN HG2 3.570 . 3.570 1.960 1.892 2.043 . 0 0 "[ . 1 . 2]" 1
588 1 32 PHE HB2 1 33 GLN HG2 4.880 . 4.880 4.350 3.991 4.959 0.079 4 0 "[ . 1 . 2]" 1
589 1 41 GLU QG 1 50 VAL MG2 4.480 . 4.480 3.232 2.757 3.660 . 0 0 "[ . 1 . 2]" 1
590 1 41 GLU H 1 41 GLU QG 4.270 . 4.270 4.165 4.097 4.244 . 0 0 "[ . 1 . 2]" 1
591 1 41 GLU QG 1 42 ARG H 4.220 . 4.220 2.710 2.491 3.565 . 0 0 "[ . 1 . 2]" 1
592 1 41 GLU QG 1 50 VAL H 6.000 . 6.000 5.744 5.416 5.936 . 0 0 "[ . 1 . 2]" 1
593 1 39 HIS HE1 1 41 GLU QG 5.370 . 5.370 5.226 4.633 5.504 0.134 16 0 "[ . 1 . 2]" 1
594 1 39 HIS HD2 1 41 GLU QG 4.110 . 4.110 3.834 2.964 4.264 0.154 7 0 "[ . 1 . 2]" 1
595 1 41 GLU HB3 1 41 GLU QG 2.780 . 2.780 2.239 2.148 2.317 . 0 0 "[ . 1 . 2]" 1
596 1 40 CYS HA 1 41 GLU QG 5.940 . 5.940 5.697 5.436 5.852 . 0 0 "[ . 1 . 2]" 1
597 1 12 MET HB2 1 40 CYS HB3 4.330 . 4.330 4.203 4.004 4.345 0.015 7 0 "[ . 1 . 2]" 1
598 1 12 MET HG2 1 40 CYS HB3 4.690 . 4.690 4.456 4.354 4.529 . 0 0 "[ . 1 . 2]" 1
599 1 12 MET HB2 1 40 CYS HB2 4.140 . 4.140 4.131 3.989 4.196 0.056 8 0 "[ . 1 . 2]" 1
600 1 12 MET HG2 1 13 ASN H 3.510 . 3.510 3.397 3.280 3.524 0.014 14 0 "[ . 1 . 2]" 1
601 1 12 MET H 1 12 MET HG2 3.090 . 3.090 2.588 2.526 2.642 . 0 0 "[ . 1 . 2]" 1
602 1 9 CYS HB3 1 12 MET HG2 4.050 . 4.050 3.787 3.684 4.038 . 0 0 "[ . 1 . 2]" 1
603 1 12 MET HG2 1 47 PRO HA 5.110 . 5.110 4.304 3.973 4.577 . 0 0 "[ . 1 . 2]" 1
604 1 11 ARG QB 1 14 ASP H 4.310 . 4.310 4.147 3.826 4.329 0.019 20 0 "[ . 1 . 2]" 1
605 1 10 ALA H 1 47 PRO QB 4.700 . 4.700 4.069 3.704 4.410 . 0 0 "[ . 1 . 2]" 1
606 1 11 ARG H 1 11 ARG QB 3.500 . 3.500 2.861 2.757 2.978 . 0 0 "[ . 1 . 2]" 1
607 1 43 ARG H 1 47 PRO QB 5.170 . 5.170 5.339 5.274 5.417 0.247 11 0 "[ . 1 . 2]" 1
608 1 11 ARG QB 1 18 GLY H 5.080 . 5.080 4.894 4.751 4.986 . 0 0 "[ . 1 . 2]" 1
609 1 11 ARG QB 1 21 VAL MG2 4.210 . 4.210 3.716 3.476 3.858 . 0 0 "[ . 1 . 2]" 1
610 1 11 ARG QB 1 21 VAL MG1 4.160 . 4.160 3.321 3.065 3.452 . 0 0 "[ . 1 . 2]" 1
611 1 11 ARG QB 1 22 ALA H 4.150 . 4.150 3.470 2.432 3.905 . 0 0 "[ . 1 . 2]" 1
612 1 42 ARG HG3 1 47 PRO QB 4.860 . 4.860 3.236 2.486 3.780 . 0 0 "[ . 1 . 2]" 1
613 1 23 GLN HB2 1 27 ILE MD 3.960 . 3.960 3.038 2.843 3.397 . 0 0 "[ . 1 . 2]" 1
614 1 23 GLN HB3 1 26 CYS H 5.810 . 5.810 5.641 5.553 5.700 . 0 0 "[ . 1 . 2]" 1
615 1 23 GLN HB3 1 24 ALA H 3.720 . 3.720 3.823 3.774 3.858 0.138 10 0 "[ . 1 . 2]" 1
616 1 20 LYS HA 1 23 GLN HB3 3.870 . 3.870 3.828 3.542 3.953 0.083 19 0 "[ . 1 . 2]" 1
617 1 21 VAL HB 1 22 ALA MB 4.240 . 4.240 3.860 3.788 3.905 . 0 0 "[ . 1 . 2]" 1
618 1 22 ALA MB 1 23 GLN HB3 4.530 . 4.530 3.764 3.691 3.887 . 0 0 "[ . 1 . 2]" 1
619 1 23 GLN HB3 1 40 CYS H 4.840 . 4.840 4.345 4.041 4.540 . 0 0 "[ . 1 . 2]" 1
620 1 21 VAL HB 1 22 ALA H 3.160 . 3.160 2.434 2.314 2.511 . 0 0 "[ . 1 . 2]" 1
621 1 21 VAL H 1 21 VAL HB 2.970 . 2.970 2.618 2.561 2.690 . 0 0 "[ . 1 . 2]" 1
622 1 14 ASP HB2 1 21 VAL HB 6.000 . 6.000 6.082 5.700 6.195 0.195 5 0 "[ . 1 . 2]" 1
623 1 23 GLN HB3 1 40 CYS HB2 5.350 . 5.350 4.633 4.336 4.913 . 0 0 "[ . 1 . 2]" 1
624 1 11 ARG QG 1 21 VAL HB 3.930 . 3.930 2.196 1.870 2.550 . 0 0 "[ . 1 . 2]" 1
625 1 41 GLU H 1 41 GLU HB3 3.600 . 3.600 2.826 2.712 3.083 . 0 0 "[ . 1 . 2]" 1
626 1 41 GLU HB3 1 43 ARG QG 3.690 . 3.690 3.262 2.880 3.704 0.014 5 0 "[ . 1 . 2]" 1
627 1 41 GLU HB3 1 43 ARG H 6.000 . 6.000 5.221 4.842 5.566 . 0 0 "[ . 1 . 2]" 1
628 1 33 GLN QB 1 33 GLN HE21 3.260 . 3.260 2.777 2.747 2.801 . 0 0 "[ . 1 . 2]" 1
629 1 41 GLU HB3 1 43 ARG QD 4.760 . 4.760 3.802 1.956 4.346 . 0 0 "[ . 1 . 2]" 1
630 1 41 GLU HB3 1 50 VAL MG2 4.160 . 4.160 2.425 2.217 2.790 . 0 0 "[ . 1 . 2]" 1
631 1 41 GLU HB3 1 50 VAL MG1 3.430 . 3.430 2.416 2.209 2.574 . 0 0 "[ . 1 . 2]" 1
632 1 41 GLU HB3 1 50 VAL H 4.720 . 4.720 4.249 4.018 4.608 . 0 0 "[ . 1 . 2]" 1
633 1 33 GLN QB 1 35 CYS HB2 5.060 . 5.060 4.979 4.759 5.084 0.024 4 0 "[ . 1 . 2]" 1
634 1 33 GLN QB 1 35 CYS H 4.800 . 4.800 4.744 4.454 4.876 0.076 16 0 "[ . 1 . 2]" 1
635 1 33 GLN QB 1 34 ASN H 4.190 . 4.190 3.975 3.947 4.005 . 0 0 "[ . 1 . 2]" 1
636 1 33 GLN H 1 33 GLN QB 3.380 . 3.380 2.800 2.745 2.852 . 0 0 "[ . 1 . 2]" 1
637 1 20 LYS QB 1 22 ALA H 5.000 . 5.000 4.681 4.591 4.848 . 0 0 "[ . 1 . 2]" 1
638 1 20 LYS QB 1 21 VAL H 3.040 . 3.040 2.599 2.362 2.786 . 0 0 "[ . 1 . 2]" 1
639 1 20 LYS H 1 20 LYS QB 2.700 . 2.700 2.130 2.056 2.382 . 0 0 "[ . 1 . 2]" 1
640 1 18 GLY HA2 1 20 LYS QB 5.240 . 5.240 4.976 4.721 5.172 . 0 0 "[ . 1 . 2]" 1
641 1 20 LYS QB 1 21 VAL MG2 3.630 . 3.630 3.218 2.932 3.473 . 0 0 "[ . 1 . 2]" 1
642 1 20 LYS QB 1 21 VAL MG1 5.070 . 5.070 5.051 4.961 5.171 0.101 17 0 "[ . 1 . 2]" 1
643 1 17 LEU MD1 1 20 LYS QB 3.640 . 3.640 3.004 2.346 3.435 . 0 0 "[ . 1 . 2]" 1
644 1 6 PHE QE 1 47 PRO QG 5.160 . 5.160 3.854 2.468 5.180 0.020 9 0 "[ . 1 . 2]" 1
645 1 42 ARG HG2 1 47 PRO QG 4.830 . 4.830 3.826 2.345 4.326 . 0 0 "[ . 1 . 2]" 1
646 1 36 GLY H 1 53 ARG QB 3.490 . 3.490 2.676 2.198 3.360 . 0 0 "[ . 1 . 2]" 1
647 1 37 THR H 1 53 ARG QB 4.760 . 4.760 2.931 2.572 3.410 . 0 0 "[ . 1 . 2]" 1
648 1 6 PHE HZ 1 47 PRO QG 5.630 . 5.630 3.803 2.809 5.186 . 0 0 "[ . 1 . 2]" 1
649 1 61 TRP HD1 1 65 PRO QG 6.000 . 6.000 3.655 2.220 5.191 . 0 0 "[ . 1 . 2]" 1
650 1 43 ARG QB 1 50 VAL MG1 4.920 . 4.920 4.337 4.047 4.710 . 0 0 "[ . 1 . 2]" 1
651 1 43 ARG QB 1 43 ARG HE 4.780 . 4.780 3.787 3.230 4.412 . 0 0 "[ . 1 . 2]" 1
652 1 12 MET HB3 1 22 ALA MB 3.130 . 3.130 2.648 2.488 2.827 . 0 0 "[ . 1 . 2]" 1
653 1 31 LYS H 1 31 LYS QB 3.080 . 3.080 2.474 2.410 2.590 . 0 0 "[ . 1 . 2]" 1
654 1 31 LYS QB 1 32 PHE H 3.550 . 3.550 2.552 2.461 2.685 . 0 0 "[ . 1 . 2]" 1
655 1 31 LYS QB 1 35 CYS HB2 5.690 . 5.690 5.461 5.320 5.677 . 0 0 "[ . 1 . 2]" 1
656 1 31 LYS QB 1 33 GLN H 4.770 . 4.770 4.635 4.530 4.727 . 0 0 "[ . 1 . 2]" 1
657 1 12 MET ME 1 42 ARG HE 6.000 . 6.000 5.297 4.917 5.782 . 0 0 "[ . 1 . 2]" 1
658 1 12 MET ME 1 42 ARG H 3.840 . 3.840 3.481 3.224 3.672 . 0 0 "[ . 1 . 2]" 1
659 1 65 PRO QB 1 66 SER H 4.190 . 4.190 3.256 2.017 4.009 . 0 0 "[ . 1 . 2]" 1
660 1 9 CYS HB2 1 12 MET ME 3.630 . 3.630 3.280 3.090 3.522 . 0 0 "[ . 1 . 2]" 1
661 1 12 MET ME 1 12 MET HG3 3.840 . 3.840 3.404 3.391 3.414 . 0 0 "[ . 1 . 2]" 1
662 1 12 MET ME 1 48 THR H 3.760 . 3.760 3.109 2.841 3.400 . 0 0 "[ . 1 . 2]" 1
663 1 27 ILE HB 1 29 SER H 5.150 . 5.150 5.027 4.936 5.139 . 0 0 "[ . 1 . 2]" 1
664 1 27 ILE HB 1 28 SER H 3.110 . 3.110 2.415 2.312 2.514 . 0 0 "[ . 1 . 2]" 1
665 1 10 ALA H 1 12 MET ME 5.140 . 5.140 5.163 5.033 5.212 0.072 1 0 "[ . 1 . 2]" 1
666 1 53 ARG H 1 53 ARG QG 4.130 . 4.130 2.849 2.729 3.043 . 0 0 "[ . 1 . 2]" 1
667 1 53 ARG QG 1 54 CYS H 5.010 . 5.010 4.741 4.674 4.811 . 0 0 "[ . 1 . 2]" 1
668 1 27 ILE H 1 27 ILE HG13 2.980 . 2.980 2.045 1.962 2.128 . 0 0 "[ . 1 . 2]" 1
669 1 37 THR H 1 53 ARG QG 4.360 . 4.360 4.220 3.709 4.480 0.120 3 0 "[ . 1 . 2]" 1
670 1 53 ARG QB 1 53 ARG QG 2.480 . 2.480 2.002 1.982 2.017 . 0 0 "[ . 1 . 2]" 1
671 1 27 ILE HB 1 27 ILE MD 3.220 . 3.220 2.382 2.350 2.408 . 0 0 "[ . 1 . 2]" 1
672 1 60 GLU H 1 60 GLU HB2 4.090 . 4.090 3.236 2.299 4.024 . 0 0 "[ . 1 . 2]" 1
673 1 37 THR HB 1 53 ARG QG 5.300 . 5.300 4.647 3.666 5.251 . 0 0 "[ . 1 . 2]" 1
674 1 27 ILE HA 1 27 ILE HG13 3.670 . 3.670 2.928 2.825 3.003 . 0 0 "[ . 1 . 2]" 1
675 1 12 MET ME 1 50 VAL MG2 5.440 . 5.440 5.339 5.197 5.473 0.033 13 0 "[ . 1 . 2]" 1
676 1 23 GLN HE21 1 27 ILE HG13 5.230 . 5.230 4.650 4.403 4.983 . 0 0 "[ . 1 . 2]" 1
677 1 23 GLN QG 1 27 ILE HG13 4.130 . 4.130 4.021 3.956 4.106 . 0 0 "[ . 1 . 2]" 1
678 1 46 ARG H 1 46 ARG QB 3.050 . 3.050 2.447 2.368 2.648 . 0 0 "[ . 1 . 2]" 1
679 1 6 PHE HZ 1 46 ARG QB 3.620 . 3.620 2.984 2.464 3.525 . 0 0 "[ . 1 . 2]" 1
680 1 41 GLU H 1 41 GLU HB2 3.550 . 3.550 2.972 2.734 3.140 . 0 0 "[ . 1 . 2]" 1
681 1 39 HIS H 1 41 GLU HB2 5.730 . 5.730 5.575 5.444 5.757 0.027 19 0 "[ . 1 . 2]" 1
682 1 67 ARG HB3 1 68 GLY H 5.000 . 5.000 3.611 2.338 4.181 . 0 0 "[ . 1 . 2]" 1
683 1 39 HIS HD2 1 41 GLU HB2 4.090 . 4.090 2.505 2.201 3.001 . 0 0 "[ . 1 . 2]" 1
684 1 40 CYS HA 1 41 GLU HB2 5.010 . 5.010 4.248 4.097 4.379 . 0 0 "[ . 1 . 2]" 1
685 1 41 GLU HB2 1 50 VAL MG2 4.380 . 4.380 2.156 1.887 2.348 . 0 0 "[ . 1 . 2]" 1
686 1 41 GLU HB2 1 50 VAL MG1 3.620 . 3.620 3.345 2.802 3.617 . 0 0 "[ . 1 . 2]" 1
687 1 41 GLU HB2 1 43 ARG HE 4.950 . 4.950 4.665 3.748 5.156 0.206 5 0 "[ . 1 . 2]" 1
688 1 60 GLU H 1 60 GLU HB3 4.090 . 4.090 3.416 2.626 3.993 . 0 0 "[ . 1 . 2]" 1
689 1 17 LEU H 1 17 LEU QB 2.800 . 2.800 2.142 2.053 2.184 . 0 0 "[ . 1 . 2]" 1
690 1 17 LEU QB 1 18 GLY H 3.140 . 3.140 2.542 2.411 2.870 . 0 0 "[ . 1 . 2]" 1
691 1 20 LYS QB 1 20 LYS QD 3.010 . 3.010 2.687 2.025 2.803 . 0 0 "[ . 1 . 2]" 1
692 1 17 LEU QB 1 17 LEU MD1 3.050 . 3.050 2.318 2.284 2.361 . 0 0 "[ . 1 . 2]" 1
693 1 17 LEU QB 1 17 LEU MD2 2.870 . 2.870 2.311 2.267 2.349 . 0 0 "[ . 1 . 2]" 1
694 1 11 ARG QG 1 22 ALA H 4.450 . 4.450 2.657 2.410 3.033 . 0 0 "[ . 1 . 2]" 1
695 1 11 ARG QG 1 14 ASP HB3 5.110 . 5.110 4.895 4.429 5.201 0.091 7 0 "[ . 1 . 2]" 1
696 1 8 SER H 1 25 ALA MB 6.000 . 6.000 5.349 5.040 5.700 . 0 0 "[ . 1 . 2]" 1
697 1 30 CYS H 1 31 LYS QD 4.610 . 4.610 4.768 4.686 4.851 0.241 11 0 "[ . 1 . 2]" 1
698 1 25 ALA MB 1 26 CYS H 3.040 . 3.040 2.677 2.616 2.771 . 0 0 "[ . 1 . 2]" 1
699 1 25 ALA H 1 25 ALA MB 2.740 . 2.740 2.233 2.222 2.241 . 0 0 "[ . 1 . 2]" 1
700 1 25 ALA MB 1 29 SER H 4.880 . 4.880 4.655 4.400 4.737 . 0 0 "[ . 1 . 2]" 1
701 1 29 SER H 1 31 LYS QD 5.310 . 5.310 4.976 4.812 5.188 . 0 0 "[ . 1 . 2]" 1
702 1 31 LYS QD 1 32 PHE H 4.660 . 4.660 4.433 4.209 4.696 0.036 11 0 "[ . 1 . 2]" 1
703 1 11 ARG QG 1 12 MET H 3.880 . 3.880 3.124 2.813 3.598 . 0 0 "[ . 1 . 2]" 1
704 1 28 SER H 1 31 LYS QD 4.200 . 4.200 3.803 3.647 3.939 . 0 0 "[ . 1 . 2]" 1
705 1 11 ARG HE 1 11 ARG QG 3.740 . 3.740 2.496 2.124 2.659 . 0 0 "[ . 1 . 2]" 1
706 1 28 SER QB 1 31 LYS QD 3.800 . 3.800 3.679 3.386 3.942 0.142 15 0 "[ . 1 . 2]" 1
707 1 8 SER QB 1 25 ALA MB 3.360 . 3.360 2.409 2.036 2.845 . 0 0 "[ . 1 . 2]" 1
708 1 31 LYS QB 1 31 LYS QD 3.260 . 3.260 2.198 2.037 2.315 . 0 0 "[ . 1 . 2]" 1
709 1 11 ARG QG 1 21 VAL MG2 4.100 . 4.100 3.698 3.454 3.957 . 0 0 "[ . 1 . 2]" 1
710 1 11 ARG QG 1 21 VAL MG1 3.430 . 3.430 2.280 2.065 2.700 . 0 0 "[ . 1 . 2]" 1
711 1 21 VAL HA 1 25 ALA MB 5.320 . 5.320 4.414 4.254 4.581 . 0 0 "[ . 1 . 2]" 1
712 1 67 ARG QG 1 68 GLY QA 5.140 . 5.140 4.381 3.222 5.331 0.191 11 0 "[ . 1 . 2]" 1
713 1 64 LEU QB 1 65 PRO QD 5.120 . 5.120 3.546 2.977 3.854 . 0 0 "[ . 1 . 2]" 1
714 1 27 ILE MG 1 31 LYS QD 3.440 . 3.440 1.864 1.776 2.208 0.024 12 0 "[ . 1 . 2]" 1
715 1 64 LEU H 1 64 LEU QB 3.580 . 3.580 3.348 2.965 3.462 . 0 0 "[ . 1 . 2]" 1
716 1 42 ARG H 1 42 ARG HB3 3.530 . 3.530 3.518 3.314 3.626 0.096 11 0 "[ . 1 . 2]" 1
717 1 43 ARG H 1 43 ARG QG 3.290 . 3.290 2.776 2.126 3.033 . 0 0 "[ . 1 . 2]" 1
718 1 43 ARG HE 1 43 ARG QG 3.690 . 3.690 2.338 2.199 2.812 . 0 0 "[ . 1 . 2]" 1
719 1 6 PHE H 1 10 ALA MB 3.660 . 3.660 3.189 2.585 3.713 0.053 9 0 "[ . 1 . 2]" 1
720 1 10 ALA H 1 10 ALA MB 2.650 . 2.650 2.244 2.225 2.297 . 0 0 "[ . 1 . 2]" 1
721 1 5 ASP HA 1 10 ALA MB 5.330 . 5.330 3.191 2.018 3.996 . 0 0 "[ . 1 . 2]" 1
722 1 7 THR HA 1 10 ALA MB 6.000 . 6.000 4.667 4.313 5.055 . 0 0 "[ . 1 . 2]" 1
723 1 10 ALA MB 1 11 ARG H 3.320 . 3.320 2.777 2.644 2.994 . 0 0 "[ . 1 . 2]" 1
724 1 11 ARG H 1 22 ALA MB 3.550 . 3.550 3.337 2.940 3.554 0.004 4 0 "[ . 1 . 2]" 1
725 1 31 LYS H 1 31 LYS HG3 3.500 . 3.500 2.000 1.779 2.199 0.021 18 0 "[ . 1 . 2]" 1
726 1 10 ALA MB 1 13 ASN HD21 5.310 . 5.310 4.326 3.673 5.026 . 0 0 "[ . 1 . 2]" 1
727 1 22 ALA H 1 22 ALA MB 2.780 . 2.780 2.220 2.200 2.230 . 0 0 "[ . 1 . 2]" 1
728 1 24 ALA MB 1 25 ALA H 2.820 . 2.820 2.358 2.323 2.396 . 0 0 "[ . 1 . 2]" 1
729 1 29 SER H 1 31 LYS HG3 6.000 . 6.000 5.611 5.177 5.808 . 0 0 "[ . 1 . 2]" 1
730 1 31 LYS HG3 1 32 PHE H 4.610 . 4.610 4.277 3.990 4.431 . 0 0 "[ . 1 . 2]" 1
731 1 12 MET H 1 22 ALA MB 2.770 . 2.770 2.565 2.460 2.792 0.022 4 0 "[ . 1 . 2]" 1
732 1 24 ALA H 1 24 ALA MB 2.620 . 2.620 2.229 2.212 2.242 . 0 0 "[ . 1 . 2]" 1
733 1 19 ALA MB 1 20 LYS H 2.950 . 2.950 2.558 2.419 2.700 . 0 0 "[ . 1 . 2]" 1
734 1 18 GLY HA2 1 22 ALA MB 4.680 . 4.680 4.510 4.409 4.582 . 0 0 "[ . 1 . 2]" 1
735 1 22 ALA MB 1 40 CYS HB3 4.390 . 4.390 3.463 3.337 3.608 . 0 0 "[ . 1 . 2]" 1
736 1 9 CYS HB3 1 22 ALA MB 3.790 . 3.790 2.872 2.722 3.003 . 0 0 "[ . 1 . 2]" 1
737 1 12 MET HB2 1 22 ALA MB 4.210 . 4.210 3.649 3.465 3.910 . 0 0 "[ . 1 . 2]" 1
738 1 12 MET HG2 1 22 ALA MB 4.520 . 4.520 4.139 4.007 4.294 . 0 0 "[ . 1 . 2]" 1
739 1 11 ARG QB 1 22 ALA MB 3.500 . 3.500 3.179 2.097 3.556 0.056 15 0 "[ . 1 . 2]" 1
740 1 21 VAL MG1 1 24 ALA MB 3.640 . 3.640 3.720 3.646 3.793 0.153 15 0 "[ . 1 . 2]" 1
741 1 6 PHE HZ 1 46 ARG QG 4.320 . 4.320 3.987 2.748 4.381 0.061 10 0 "[ . 1 . 2]" 1
742 1 20 LYS QE 1 20 LYS HG3 3.800 . 3.800 3.321 2.105 3.522 . 0 0 "[ . 1 . 2]" 1
743 1 46 ARG H 1 46 ARG QG 3.710 . 3.710 2.556 2.356 3.085 . 0 0 "[ . 1 . 2]" 1
744 1 16 ALA H 1 16 ALA MB 2.940 . 2.940 2.218 2.199 2.268 . 0 0 "[ . 1 . 2]" 1
745 1 42 ARG H 1 42 ARG HG3 4.000 . 4.000 3.150 2.735 3.753 . 0 0 "[ . 1 . 2]" 1
746 1 42 ARG HG3 1 43 ARG H 4.910 . 4.910 4.790 4.248 5.006 0.096 19 0 "[ . 1 . 2]" 1
747 1 43 ARG QD 1 50 VAL HB 6.000 . 6.000 5.196 4.349 6.152 0.152 10 0 "[ . 1 . 2]" 1
748 1 50 VAL H 1 50 VAL HB 3.970 . 3.970 3.778 3.740 3.821 . 0 0 "[ . 1 . 2]" 1
749 1 41 GLU HB3 1 50 VAL HB 4.510 . 4.510 4.467 4.318 4.645 0.135 18 0 "[ . 1 . 2]" 1
750 1 31 LYS HG2 1 38 GLY H 6.000 . 6.000 6.078 5.918 6.218 0.218 20 0 "[ . 1 . 2]" 1
751 1 31 LYS H 1 31 LYS HG2 3.770 . 3.770 3.472 3.223 3.644 . 0 0 "[ . 1 . 2]" 1
752 1 31 LYS HG2 1 32 PHE H 5.270 . 5.270 5.094 4.944 5.176 . 0 0 "[ . 1 . 2]" 1
753 1 30 CYS QB 1 31 LYS HG2 5.090 . 5.090 4.529 4.291 4.834 . 0 0 "[ . 1 . 2]" 1
754 1 27 ILE HA 1 31 LYS HG2 5.740 . 5.740 5.516 5.263 5.778 0.038 2 0 "[ . 1 . 2]" 1
755 1 27 ILE MG 1 31 LYS HG2 3.670 . 3.670 3.618 3.359 3.734 0.064 4 0 "[ . 1 . 2]" 1
756 1 4 LEU H 1 4 LEU HB3 3.320 . 3.320 2.586 2.472 2.731 . 0 0 "[ . 1 . 2]" 1
757 1 4 LEU HB3 1 5 ASP H 3.950 . 3.950 3.918 3.751 4.143 0.193 2 0 "[ . 1 . 2]" 1
758 1 42 ARG HG2 1 43 ARG H 4.120 . 4.120 3.838 3.214 4.136 0.016 19 0 "[ . 1 . 2]" 1
759 1 42 ARG HG2 1 46 ARG H 4.810 . 4.810 4.580 3.527 4.953 0.143 16 0 "[ . 1 . 2]" 1
760 1 42 ARG HG2 1 45 GLY HA2 4.920 . 4.920 4.466 3.967 4.837 . 0 0 "[ . 1 . 2]" 1
761 1 12 MET HG2 1 42 ARG HG2 6.000 . 6.000 5.015 4.699 5.337 . 0 0 "[ . 1 . 2]" 1
762 1 12 MET ME 1 42 ARG HG2 3.660 . 3.660 3.394 3.081 3.738 0.078 15 0 "[ . 1 . 2]" 1
763 1 1 GLY QA 1 3 ALA MB 5.030 . 5.030 4.140 3.838 4.869 . 0 0 "[ . 1 . 2]" 1
764 1 42 ARG HG2 1 45 GLY H 5.510 . 5.510 5.170 4.623 5.594 0.084 3 0 "[ . 1 . 2]" 1
765 1 3 ALA H 1 3 ALA MB 3.430 . 3.430 2.609 2.237 2.865 . 0 0 "[ . 1 . 2]" 1
766 1 6 PHE HB3 1 7 THR MG 5.060 . 5.060 4.730 4.588 4.849 . 0 0 "[ . 1 . 2]" 1
767 1 7 THR MG 1 8 SER H 4.330 . 4.330 3.632 3.366 4.193 . 0 0 "[ . 1 . 2]" 1
768 1 7 THR H 1 7 THR MG 3.670 . 3.670 2.754 1.897 3.265 . 0 0 "[ . 1 . 2]" 1
769 1 7 THR MG 1 9 CYS H 4.760 . 4.760 3.637 2.538 4.069 . 0 0 "[ . 1 . 2]" 1
770 1 6 PHE QE 1 7 THR MG 4.820 . 4.820 2.786 2.508 3.111 . 0 0 "[ . 1 . 2]" 1
771 1 7 THR MG 1 10 ALA H 5.390 . 5.390 3.889 2.069 4.962 . 0 0 "[ . 1 . 2]" 1
772 1 6 PHE HZ 1 7 THR MG 4.410 . 4.410 3.568 3.165 4.079 . 0 0 "[ . 1 . 2]" 1
773 1 7 THR MG 1 10 ALA HA 5.500 . 5.500 4.420 2.628 5.536 0.036 20 0 "[ . 1 . 2]" 1
774 1 7 THR MG 1 48 THR HB 6.000 . 6.000 4.840 4.120 5.695 . 0 0 "[ . 1 . 2]" 1
775 1 7 THR MG 1 8 SER QB 5.390 . 5.390 5.126 4.809 5.415 0.025 15 0 "[ . 1 . 2]" 1
776 1 27 ILE HG12 1 37 THR HA 4.660 . 4.660 4.197 3.404 4.538 . 0 0 "[ . 1 . 2]" 1
777 1 24 ALA HA 1 27 ILE HG12 5.550 . 5.550 5.169 4.790 5.447 . 0 0 "[ . 1 . 2]" 1
778 1 27 ILE H 1 27 ILE HG12 3.720 . 3.720 3.401 3.297 3.501 . 0 0 "[ . 1 . 2]" 1
779 1 27 ILE HG12 1 28 SER H 5.050 . 5.050 4.943 4.888 5.017 . 0 0 "[ . 1 . 2]" 1
780 1 27 ILE HG12 1 38 GLY H 3.370 . 3.370 2.528 1.984 2.678 . 0 0 "[ . 1 . 2]" 1
781 1 27 ILE HA 1 27 ILE HG12 3.290 . 3.290 2.614 2.559 2.685 . 0 0 "[ . 1 . 2]" 1
782 1 26 CYS QB 1 27 ILE HG12 4.720 . 4.720 4.356 4.186 4.491 . 0 0 "[ . 1 . 2]" 1
783 1 23 GLN QG 1 27 ILE HG12 5.070 . 5.070 5.183 5.122 5.246 0.176 6 0 "[ . 1 . 2]" 1
784 1 17 LEU H 1 21 VAL MG2 5.650 . 5.650 5.552 5.465 5.632 . 0 0 "[ . 1 . 2]" 1
785 1 21 VAL H 1 21 VAL MG2 2.830 . 2.830 1.970 1.886 2.074 . 0 0 "[ . 1 . 2]" 1
786 1 11 ARG HE 1 21 VAL MG2 4.920 . 4.920 4.263 3.593 4.945 0.025 15 0 "[ . 1 . 2]" 1
787 1 20 LYS H 1 21 VAL MG2 4.850 . 4.850 3.926 3.759 4.021 . 0 0 "[ . 1 . 2]" 1
788 1 17 LEU HA 1 21 VAL MG2 5.010 . 5.010 4.049 3.936 4.219 . 0 0 "[ . 1 . 2]" 1
789 1 18 GLY HA3 1 21 VAL MG2 4.150 . 4.150 4.140 3.990 4.244 0.094 13 0 "[ . 1 . 2]" 1
790 1 20 LYS QE 1 21 VAL MG2 5.340 . 5.340 5.228 4.746 5.495 0.155 16 0 "[ . 1 . 2]" 1
791 1 14 ASP HB2 1 21 VAL MG2 6.000 . 6.000 5.942 5.796 6.057 0.057 9 0 "[ . 1 . 2]" 1
792 1 14 ASP HB3 1 21 VAL MG2 5.290 . 5.290 4.898 4.733 5.029 . 0 0 "[ . 1 . 2]" 1
793 1 17 LEU QB 1 21 VAL MG2 3.730 . 3.730 3.755 3.480 3.862 0.132 15 0 "[ . 1 . 2]" 1
794 1 17 LEU HG 1 21 VAL MG2 4.980 . 4.980 4.480 4.332 4.583 . 0 0 "[ . 1 . 2]" 1
795 1 20 LYS HA 1 21 VAL MG2 5.110 . 5.110 4.949 4.856 5.009 . 0 0 "[ . 1 . 2]" 1
796 1 4 LEU H 1 4 LEU HB2 3.630 . 3.630 3.648 3.597 3.685 0.055 10 0 "[ . 1 . 2]" 1
797 1 4 LEU HB2 1 4 LEU MD2 3.190 . 3.190 3.187 3.125 3.210 0.020 17 0 "[ . 1 . 2]" 1
798 1 11 ARG H 1 21 VAL MG1 5.320 . 5.320 5.144 4.893 5.345 0.025 10 0 "[ . 1 . 2]" 1
799 1 21 VAL MG1 1 22 ALA H 3.440 . 3.440 3.427 3.307 3.470 0.030 1 0 "[ . 1 . 2]" 1
800 1 21 VAL H 1 21 VAL MG1 4.180 . 4.180 3.762 3.737 3.778 . 0 0 "[ . 1 . 2]" 1
801 1 21 VAL MG1 1 25 ALA H 4.540 . 4.540 3.921 3.743 4.112 . 0 0 "[ . 1 . 2]" 1
802 1 21 VAL HA 1 21 VAL MG1 2.950 . 2.950 2.361 2.326 2.402 . 0 0 "[ . 1 . 2]" 1
803 1 11 ARG QD 1 21 VAL MG1 3.710 . 3.710 3.032 2.609 3.518 . 0 0 "[ . 1 . 2]" 1
804 1 24 ALA HA 1 27 ILE MD 3.330 . 3.330 2.789 2.242 3.055 . 0 0 "[ . 1 . 2]" 1
805 1 27 ILE MG 1 30 CYS H 4.980 . 4.980 4.661 4.612 4.690 . 0 0 "[ . 1 . 2]" 1
806 1 37 THR MG 1 53 ARG H 5.390 . 5.390 4.455 4.078 4.824 . 0 0 "[ . 1 . 2]" 1
807 1 17 LEU H 1 17 LEU MD2 3.670 . 3.670 3.689 3.481 3.776 0.106 17 0 "[ . 1 . 2]" 1
808 1 27 ILE H 1 27 ILE MD 3.430 . 3.430 3.447 3.355 3.496 0.066 5 0 "[ . 1 . 2]" 1
809 1 37 THR MG 1 52 SER H 3.640 . 3.640 2.964 2.632 3.215 . 0 0 "[ . 1 . 2]" 1
810 1 48 THR MG 1 49 CYS H 3.290 . 3.290 2.073 1.989 2.194 . 0 0 "[ . 1 . 2]" 1
811 1 27 ILE MG 1 28 SER H 3.270 . 3.270 3.233 3.128 3.338 0.068 1 0 "[ . 1 . 2]" 1
812 1 27 ILE MG 1 38 GLY H 3.170 . 3.170 2.910 2.550 3.199 0.029 11 0 "[ . 1 . 2]" 1
813 1 37 THR H 1 37 THR MG 3.110 . 3.110 2.510 2.399 2.658 . 0 0 "[ . 1 . 2]" 1
814 1 23 GLN HA 1 27 ILE MD 4.330 . 4.330 4.175 4.060 4.345 0.015 11 0 "[ . 1 . 2]" 1
815 1 27 ILE HA 1 27 ILE MG 2.850 . 2.850 2.418 2.368 2.447 . 0 0 "[ . 1 . 2]" 1
816 1 27 ILE MG 1 30 CYS QB 3.750 . 3.750 3.732 3.557 3.804 0.054 15 0 "[ . 1 . 2]" 1
817 1 27 ILE MG 1 31 LYS HG3 3.080 . 3.080 2.903 2.803 3.008 . 0 0 "[ . 1 . 2]" 1
818 1 17 LEU MD2 1 18 GLY H 4.870 . 4.870 4.673 4.594 4.752 . 0 0 "[ . 1 . 2]" 1
819 1 64 LEU H 1 64 LEU MD1 5.140 . 5.140 4.070 2.500 4.580 . 0 0 "[ . 1 . 2]" 1
820 1 64 LEU H 1 64 LEU MD2 5.140 . 5.140 3.299 2.581 4.624 . 0 0 "[ . 1 . 2]" 1
821 1 41 GLU H 1 50 VAL MG2 4.660 . 4.660 3.111 3.035 3.233 . 0 0 "[ . 1 . 2]" 1
822 1 39 HIS H 1 50 VAL MG2 4.050 . 4.050 3.251 3.134 3.383 . 0 0 "[ . 1 . 2]" 1
823 1 4 LEU H 1 4 LEU MD2 3.770 . 3.770 1.742 1.693 1.820 0.107 2 0 "[ . 1 . 2]" 1
824 1 39 HIS HD2 1 50 VAL MG2 4.320 . 4.320 3.161 2.949 3.324 . 0 0 "[ . 1 . 2]" 1
825 1 39 HIS QB 1 50 VAL MG2 4.750 . 4.750 4.075 4.016 4.144 . 0 0 "[ . 1 . 2]" 1
826 1 4 LEU HB2 1 4 LEU MD1 3.290 . 3.290 2.231 2.167 2.274 . 0 0 "[ . 1 . 2]" 1
827 1 50 VAL H 1 50 VAL MG2 3.480 . 3.480 2.155 2.115 2.218 . 0 0 "[ . 1 . 2]" 1
828 1 39 HIS HE1 1 50 VAL MG2 3.150 . 3.150 2.853 2.631 2.941 . 0 0 "[ . 1 . 2]" 1
829 1 4 LEU MD2 1 5 ASP H 3.860 . 3.860 2.271 1.975 2.912 . 0 0 "[ . 1 . 2]" 1
830 1 43 ARG HE 1 50 VAL MG2 5.340 . 5.340 4.070 3.048 5.334 . 0 0 "[ . 1 . 2]" 1
831 1 50 VAL HA 1 50 VAL MG2 3.330 . 3.330 3.208 3.198 3.215 . 0 0 "[ . 1 . 2]" 1
832 1 3 ALA MB 1 4 LEU MD2 4.220 . 4.220 3.153 2.413 4.022 . 0 0 "[ . 1 . 2]" 1
833 1 41 GLU H 1 50 VAL MG1 3.660 . 3.660 3.209 3.074 3.349 . 0 0 "[ . 1 . 2]" 1
834 1 42 ARG H 1 50 VAL MG1 5.640 . 5.640 5.459 5.291 5.662 0.022 15 0 "[ . 1 . 2]" 1
835 1 50 VAL H 1 50 VAL MG1 3.190 . 3.190 2.645 2.521 2.725 . 0 0 "[ . 1 . 2]" 1
836 1 49 CYS H 1 50 VAL MG1 4.300 . 4.300 4.138 4.003 4.237 . 0 0 "[ . 1 . 2]" 1
837 1 43 ARG H 1 50 VAL MG1 5.760 . 5.760 5.235 4.916 5.721 . 0 0 "[ . 1 . 2]" 1
838 1 43 ARG HE 1 50 VAL MG1 4.550 . 4.550 3.032 1.937 4.347 . 0 0 "[ . 1 . 2]" 1
839 1 40 CYS HA 1 50 VAL MG1 4.540 . 4.540 4.317 4.236 4.396 . 0 0 "[ . 1 . 2]" 1
840 1 43 ARG QD 1 50 VAL MG1 4.450 . 4.450 2.988 2.254 3.929 . 0 0 "[ . 1 . 2]" 1
841 1 41 GLU QG 1 50 VAL MG1 3.950 . 3.950 3.652 3.235 4.011 0.061 12 0 "[ . 1 . 2]" 1
842 1 43 ARG QG 1 50 VAL MG1 4.100 . 4.100 2.948 2.478 3.552 . 0 0 "[ . 1 . 2]" 1
843 1 48 THR MG 1 50 VAL MG1 3.380 . 3.380 2.971 2.661 3.243 . 0 0 "[ . 1 . 2]" 1
844 1 5 ASP H 1 6 PHE H 4.500 . 4.500 4.351 4.079 4.479 . 0 0 "[ . 1 . 2]" 1
845 1 30 CYS H 1 32 PHE H 4.440 . 4.440 4.053 3.924 4.151 . 0 0 "[ . 1 . 2]" 1
846 1 30 CYS H 1 38 GLY H 5.770 . 5.770 5.803 5.276 5.990 0.220 13 0 "[ . 1 . 2]" 1
847 1 28 SER H 1 30 CYS H 4.440 . 4.440 4.092 4.047 4.151 . 0 0 "[ . 1 . 2]" 1
848 1 38 GLY H 1 39 HIS H 4.530 . 4.530 4.360 4.293 4.514 . 0 0 "[ . 1 . 2]" 1
849 1 21 VAL H 1 23 GLN H 5.520 . 5.520 4.358 4.287 4.443 . 0 0 "[ . 1 . 2]" 1
850 1 19 ALA H 1 21 VAL H 4.220 . 4.220 4.214 4.121 4.257 0.037 1 0 "[ . 1 . 2]" 1
851 1 8 SER H 1 9 CYS HB2 5.390 . 5.390 4.737 4.466 4.986 . 0 0 "[ . 1 . 2]" 1
852 1 9 CYS HB3 1 41 GLU H 5.210 . 5.210 4.370 4.196 4.522 . 0 0 "[ . 1 . 2]" 1
853 1 9 CYS HB3 1 48 THR H 5.600 . 5.600 4.509 4.191 4.822 . 0 0 "[ . 1 . 2]" 1
854 1 8 SER HA 1 11 ARG H 5.690 . 5.690 5.126 4.680 5.400 . 0 0 "[ . 1 . 2]" 1
855 1 11 ARG H 1 12 MET HB3 4.920 . 4.920 4.859 4.795 4.948 0.028 13 0 "[ . 1 . 2]" 1
856 1 27 ILE MD 1 40 CYS H 6.000 . 6.000 5.902 5.590 6.110 0.110 11 0 "[ . 1 . 2]" 1
857 1 30 CYS H 1 32 PHE HB2 5.190 . 5.190 4.939 4.858 5.070 . 0 0 "[ . 1 . 2]" 1
858 1 51 CYS HB3 1 52 SER H 3.590 . 3.590 2.661 2.507 2.859 . 0 0 "[ . 1 . 2]" 1
859 1 34 ASN HB3 1 55 GLY H 3.830 . 3.830 3.614 3.186 3.891 0.061 5 0 "[ . 1 . 2]" 1
860 1 34 ASN HA 1 35 CYS H 3.210 . 3.210 2.758 2.621 2.943 . 0 0 "[ . 1 . 2]" 1
861 1 64 LEU H 1 65 PRO QG 5.540 . 5.540 4.597 3.871 5.267 . 0 0 "[ . 1 . 2]" 1
862 1 31 LYS QB 1 35 CYS H 4.800 . 4.800 4.575 4.409 4.786 . 0 0 "[ . 1 . 2]" 1
863 1 18 GLY H 1 21 VAL MG2 4.380 . 4.380 4.220 4.082 4.330 . 0 0 "[ . 1 . 2]" 1
864 1 23 GLN H 1 23 GLN HB2 3.600 . 3.600 3.605 3.575 3.636 0.036 17 0 "[ . 1 . 2]" 1
865 1 18 GLY H 1 19 ALA MB 4.560 . 4.560 4.365 4.335 4.394 . 0 0 "[ . 1 . 2]" 1
866 1 46 ARG HA 1 46 ARG HE 5.290 . 5.290 4.147 1.768 4.908 0.032 15 0 "[ . 1 . 2]" 1
867 1 9 CYS H 1 49 CYS HA 4.920 . 4.920 4.915 4.654 5.038 0.118 17 0 "[ . 1 . 2]" 1
868 1 61 TRP HA 1 63 ASN H 5.070 . 5.070 4.087 3.148 5.197 0.127 8 0 "[ . 1 . 2]" 1
869 1 20 LYS HA 1 23 GLN HB2 5.100 . 5.100 4.861 4.544 5.021 . 0 0 "[ . 1 . 2]" 1
870 1 27 ILE MG 1 38 GLY HA3 4.490 . 4.490 4.183 4.050 4.323 . 0 0 "[ . 1 . 2]" 1
871 1 36 GLY HA3 1 37 THR HB 4.400 . 4.400 4.177 4.062 4.289 . 0 0 "[ . 1 . 2]" 1
872 1 9 CYS HB3 1 10 ALA HA 5.010 . 5.010 4.680 4.436 4.759 . 0 0 "[ . 1 . 2]" 1
873 1 17 LEU QB 1 18 GLY HA2 3.960 . 3.960 3.855 3.775 3.911 . 0 0 "[ . 1 . 2]" 1
874 1 23 GLN QG 1 26 CYS QB 4.870 . 4.870 4.823 4.686 4.907 0.037 5 0 "[ . 1 . 2]" 1
875 1 12 MET ME 1 50 VAL MG1 5.210 . 5.210 5.320 5.228 5.406 0.196 5 0 "[ . 1 . 2]" 1
876 1 9 CYS HB2 1 50 VAL MG1 5.900 . 5.900 5.719 5.584 5.837 . 0 0 "[ . 1 . 2]" 1
877 1 18 GLY HA3 1 21 VAL HB 4.270 . 4.270 4.223 4.122 4.275 0.005 14 0 "[ . 1 . 2]" 1
878 1 27 ILE HA 1 31 LYS HG3 4.170 . 4.170 3.993 3.840 4.133 . 0 0 "[ . 1 . 2]" 1
879 1 41 GLU QG 1 43 ARG QG 4.390 . 4.390 3.421 2.600 4.511 0.121 18 0 "[ . 1 . 2]" 1
880 1 4 LEU HB3 1 4 LEU MD1 3.480 . 3.480 2.497 2.434 2.636 . 0 0 "[ . 1 . 2]" 1
881 1 4 LEU HB3 1 4 LEU MD2 3.620 . 3.620 2.262 2.186 2.333 . 0 0 "[ . 1 . 2]" 1
882 1 20 LYS QB 1 21 VAL HA 4.190 . 4.190 3.824 3.707 3.940 . 0 0 "[ . 1 . 2]" 1
883 1 43 ARG QG 1 50 VAL MG2 4.730 . 4.730 4.410 4.122 4.808 0.078 5 0 "[ . 1 . 2]" 1
884 1 37 THR MG 1 53 ARG QB 3.550 . 3.550 2.947 2.378 3.574 0.024 3 0 "[ . 1 . 2]" 1
885 1 27 ILE HA 1 31 LYS QD 4.110 . 4.110 4.131 4.003 4.332 0.222 20 0 "[ . 1 . 2]" 1
886 1 42 ARG HB3 1 45 GLY HA2 4.580 . 4.580 3.530 3.078 4.015 . 0 0 "[ . 1 . 2]" 1
887 1 9 CYS HB3 1 12 MET ME 3.990 . 3.990 2.345 2.208 2.508 . 0 0 "[ . 1 . 2]" 1
888 1 41 GLU HB3 1 48 THR HB 5.570 . 5.570 4.233 3.945 4.739 . 0 0 "[ . 1 . 2]" 1
889 1 7 THR MG 1 48 THR MG 3.910 . 3.910 3.014 2.099 4.065 0.155 5 0 "[ . 1 . 2]" 1
890 1 25 ALA MB 1 26 CYS HA 3.820 . 3.820 3.825 3.793 3.857 0.037 11 0 "[ . 1 . 2]" 1
891 1 23 GLN HA 1 27 ILE H 4.090 . 4.090 3.739 3.635 3.914 . 0 0 "[ . 1 . 2]" 1
892 1 9 CYS H 1 10 ALA MB 4.030 . 4.030 4.109 4.062 4.180 0.150 7 0 "[ . 1 . 2]" 1
893 1 1 GLY QA 1 3 ALA H 4.540 . 4.540 3.840 2.892 4.670 0.130 13 0 "[ . 1 . 2]" 1
894 1 11 ARG H 1 12 MET HG2 4.750 . 4.750 4.737 4.595 4.825 0.075 14 0 "[ . 1 . 2]" 1
895 1 25 ALA HA 1 27 ILE H 5.060 . 5.060 4.846 4.572 5.004 . 0 0 "[ . 1 . 2]" 1
896 1 30 CYS HA 1 51 CYS HA 6.000 . 6.000 5.216 5.055 5.360 . 0 0 "[ . 1 . 2]" 1
897 1 37 THR HA 1 51 CYS HA 6.000 . 6.000 5.598 5.495 5.728 . 0 0 "[ . 1 . 2]" 1
898 1 12 MET HB3 1 40 CYS HA 5.610 . 5.610 5.633 5.503 5.714 0.104 5 0 "[ . 1 . 2]" 1
899 1 23 GLN H 1 23 GLN HB3 2.930 . 2.930 2.397 2.334 2.484 . 0 0 "[ . 1 . 2]" 1
900 1 30 CYS QB 1 31 LYS H 3.770 . 3.770 2.432 2.384 2.493 . 0 0 "[ . 1 . 2]" 1
901 1 52 SER QB 1 53 ARG H 3.480 . 3.480 2.728 2.462 3.313 . 0 0 "[ . 1 . 2]" 1
902 1 23 GLN QG 1 40 CYS H 6.000 . 6.000 5.921 5.659 6.117 0.117 1 0 "[ . 1 . 2]" 1
903 1 8 SER QB 1 26 CYS H 5.390 . 5.390 4.179 3.409 4.560 . 0 0 "[ . 1 . 2]" 1
904 1 17 LEU H 1 18 GLY HA2 5.960 . 5.960 5.174 5.066 5.283 . 0 0 "[ . 1 . 2]" 1
905 1 16 ALA HA 1 18 GLY H 4.650 . 4.650 4.392 4.033 4.509 . 0 0 "[ . 1 . 2]" 1
906 1 43 ARG QB 1 46 ARG H 4.860 . 4.860 4.152 3.954 4.410 . 0 0 "[ . 1 . 2]" 1
907 1 33 GLN HG2 1 34 ASN H 4.880 . 4.880 3.922 3.756 4.077 . 0 0 "[ . 1 . 2]" 1
908 1 61 TRP H 1 61 TRP HD1 4.860 . 4.860 4.582 3.576 5.071 0.211 1 0 "[ . 1 . 2]" 1
909 1 9 CYS H 1 11 ARG QD 4.790 . 4.790 4.564 4.167 4.975 0.185 20 0 "[ . 1 . 2]" 1
910 1 27 ILE HA 1 31 LYS H 4.540 . 4.540 4.088 4.024 4.175 . 0 0 "[ . 1 . 2]" 1
911 1 6 PHE H 1 6 PHE QD 4.830 . 4.830 2.042 1.764 2.472 0.036 12 0 "[ . 1 . 2]" 1
912 1 11 ARG H 1 11 ARG QG 3.140 . 3.140 2.164 1.729 2.609 0.071 20 0 "[ . 1 . 2]" 1
913 1 41 GLU H 1 48 THR HB 4.900 . 4.900 4.090 3.940 4.383 . 0 0 "[ . 1 . 2]" 1
914 1 9 CYS H 1 12 MET ME 5.370 . 5.370 5.052 4.925 5.144 . 0 0 "[ . 1 . 2]" 1
915 1 36 GLY H 1 37 THR H 3.430 . 3.430 2.787 2.710 2.901 . 0 0 "[ . 1 . 2]" 1
916 1 27 ILE HG13 1 38 GLY H 3.940 . 3.940 3.944 3.353 4.068 0.128 3 0 "[ . 1 . 2]" 1
917 1 12 MET HA 1 19 ALA H 4.430 . 4.430 3.714 3.460 3.981 . 0 0 "[ . 1 . 2]" 1
918 1 11 ARG HA 1 14 ASP H 4.590 . 4.590 3.686 3.286 3.931 . 0 0 "[ . 1 . 2]" 1
919 1 9 CYS HB2 1 10 ALA H 4.420 . 4.420 3.883 3.761 4.003 . 0 0 "[ . 1 . 2]" 1
920 1 32 PHE H 1 33 GLN H 3.220 . 3.220 2.763 2.713 2.796 . 0 0 "[ . 1 . 2]" 1
921 1 30 CYS HA 1 33 GLN H 3.570 . 3.570 3.427 3.339 3.506 . 0 0 "[ . 1 . 2]" 1
922 1 20 LYS H 1 22 ALA H 4.490 . 4.490 4.045 3.876 4.251 . 0 0 "[ . 1 . 2]" 1
923 1 24 ALA H 1 26 CYS H 4.280 . 4.280 3.891 3.824 3.944 . 0 0 "[ . 1 . 2]" 1
924 1 45 GLY H 1 46 ARG H 3.890 . 3.890 2.829 2.709 2.931 . 0 0 "[ . 1 . 2]" 1
925 1 43 ARG H 1 46 ARG H 3.620 . 3.620 3.218 3.026 3.532 . 0 0 "[ . 1 . 2]" 1
926 1 42 ARG HA 1 46 ARG H 4.650 . 4.650 4.399 4.024 4.670 0.020 15 0 "[ . 1 . 2]" 1
927 1 44 GLY QA 1 46 ARG H 4.510 . 4.510 3.393 3.265 3.640 . 0 0 "[ . 1 . 2]" 1
928 1 13 ASN H 1 15 GLY H 5.170 . 5.170 4.582 4.357 4.737 . 0 0 "[ . 1 . 2]" 1
929 1 15 GLY H 1 16 ALA H 5.440 . 5.440 4.454 4.355 4.540 . 0 0 "[ . 1 . 2]" 1
930 1 37 THR H 1 38 GLY HA2 4.660 . 4.660 4.718 4.636 4.781 0.121 6 0 "[ . 1 . 2]" 1
931 1 23 GLN H 1 25 ALA H 4.600 . 4.600 4.320 4.245 4.380 . 0 0 "[ . 1 . 2]" 1
932 1 20 LYS HA 1 23 GLN H 4.160 . 4.160 3.560 3.301 3.729 . 0 0 "[ . 1 . 2]" 1
933 1 12 MET HA 1 23 GLN H 5.520 . 5.520 5.313 5.088 5.454 . 0 0 "[ . 1 . 2]" 1
934 1 21 VAL HA 1 23 GLN H 5.950 . 5.950 4.734 4.640 4.789 . 0 0 "[ . 1 . 2]" 1
935 1 17 LEU H 1 19 ALA H 4.300 . 4.300 4.061 3.896 4.453 0.153 13 0 "[ . 1 . 2]" 1
936 1 16 ALA HA 1 19 ALA H 3.940 . 3.940 3.419 3.212 3.778 . 0 0 "[ . 1 . 2]" 1
937 1 19 ALA H 1 20 LYS QB 4.640 . 4.640 4.441 4.182 4.695 0.055 10 0 "[ . 1 . 2]" 1
938 1 17 LEU QB 1 19 ALA H 5.160 . 5.160 4.687 4.592 4.885 . 0 0 "[ . 1 . 2]" 1
939 1 19 ALA H 1 20 LYS QD 5.860 . 5.860 5.452 4.518 6.347 0.487 16 0 "[ . 1 . 2]" 1
940 1 11 ARG H 1 12 MET H 3.520 . 3.520 2.707 2.650 2.776 . 0 0 "[ . 1 . 2]" 1
941 1 12 MET H 1 19 ALA HA 5.010 . 5.010 4.534 4.313 4.912 . 0 0 "[ . 1 . 2]" 1
942 1 12 MET H 1 12 MET HB3 3.280 . 3.280 2.420 2.369 2.452 . 0 0 "[ . 1 . 2]" 1
943 1 24 ALA MB 1 28 SER H 4.820 . 4.820 4.650 4.551 4.753 . 0 0 "[ . 1 . 2]" 1
944 1 32 PHE H 1 32 PHE HB3 3.380 . 3.380 3.385 2.818 3.543 0.163 20 0 "[ . 1 . 2]" 1
945 1 13 ASN H 1 14 ASP H 3.090 . 3.090 2.503 2.342 2.655 . 0 0 "[ . 1 . 2]" 1
946 1 13 ASN HB2 1 14 ASP H 5.090 . 5.090 4.300 3.892 4.484 . 0 0 "[ . 1 . 2]" 1
947 1 33 GLN H 1 34 ASN H 3.320 . 3.320 2.599 2.450 2.716 . 0 0 "[ . 1 . 2]" 1
948 1 67 ARG HB2 1 68 GLY H 5.000 . 5.000 3.240 1.941 4.508 . 0 0 "[ . 1 . 2]" 1
949 1 3 ALA MB 1 4 LEU H 3.370 . 3.370 2.690 2.090 3.382 0.012 18 0 "[ . 1 . 2]" 1
950 1 64 LEU H 1 64 LEU HG 4.040 . 4.040 3.041 2.741 3.464 . 0 0 "[ . 1 . 2]" 1
951 1 34 ASN HB3 1 35 CYS H 4.490 . 4.490 4.255 4.070 4.346 . 0 0 "[ . 1 . 2]" 1
952 1 59 GLY QA 1 60 GLU H 3.310 . 3.310 2.359 2.125 2.726 . 0 0 "[ . 1 . 2]" 1
953 1 43 ARG H 1 44 GLY H 4.560 . 4.560 4.162 4.065 4.237 . 0 0 "[ . 1 . 2]" 1
954 1 43 ARG H 1 47 PRO HA 4.310 . 4.310 3.693 3.545 3.838 . 0 0 "[ . 1 . 2]" 1
955 1 43 ARG H 1 48 THR HB 4.810 . 4.810 4.148 3.822 4.574 . 0 0 "[ . 1 . 2]" 1
956 1 43 ARG H 1 43 ARG QB 3.610 . 3.610 2.577 2.446 2.766 . 0 0 "[ . 1 . 2]" 1
957 1 43 ARG H 1 46 ARG QB 3.850 . 3.850 3.335 3.074 3.702 . 0 0 "[ . 1 . 2]" 1
958 1 61 TRP H 1 61 TRP HB2 3.960 . 3.960 2.948 2.346 4.035 0.075 15 0 "[ . 1 . 2]" 1
959 1 60 GLU HG3 1 61 TRP H 5.260 . 5.260 3.917 1.888 5.360 0.100 5 0 "[ . 1 . 2]" 1
960 1 2 SER HA 1 3 ALA H 3.290 . 3.290 2.577 2.165 3.143 . 0 0 "[ . 1 . 2]" 1
961 1 25 ALA H 1 26 CYS H 3.110 . 3.110 2.613 2.574 2.657 . 0 0 "[ . 1 . 2]" 1
962 1 22 ALA HA 1 25 ALA H 4.150 . 4.150 3.772 3.648 3.862 . 0 0 "[ . 1 . 2]" 1
963 1 18 GLY HA3 1 21 VAL H 4.660 . 4.660 4.555 4.494 4.635 . 0 0 "[ . 1 . 2]" 1
964 1 25 ALA H 1 27 ILE HB 5.760 . 5.760 5.549 5.371 5.722 . 0 0 "[ . 1 . 2]" 1
965 1 48 THR HA 1 49 CYS H 3.090 . 3.090 2.312 2.282 2.354 . 0 0 "[ . 1 . 2]" 1
966 1 38 GLY HA3 1 52 SER H 4.930 . 4.930 4.381 4.089 4.622 . 0 0 "[ . 1 . 2]" 1
967 1 24 ALA MB 1 27 ILE H 5.050 . 5.050 4.803 4.633 4.969 . 0 0 "[ . 1 . 2]" 1
968 1 27 ILE H 1 27 ILE MG 4.210 . 4.210 3.770 3.741 3.790 . 0 0 "[ . 1 . 2]" 1
969 1 30 CYS H 1 31 LYS H 3.290 . 3.290 2.646 2.601 2.697 . 0 0 "[ . 1 . 2]" 1
970 1 31 LYS H 1 31 LYS QD 4.780 . 4.780 3.219 3.145 3.316 . 0 0 "[ . 1 . 2]" 1
971 1 23 GLN H 1 26 CYS H 4.950 . 4.950 4.653 4.569 4.720 . 0 0 "[ . 1 . 2]" 1
972 1 22 ALA HA 1 26 CYS H 4.380 . 4.380 4.166 4.008 4.300 . 0 0 "[ . 1 . 2]" 1
973 1 25 ALA HA 1 26 CYS H 3.550 . 3.550 3.513 3.487 3.534 . 0 0 "[ . 1 . 2]" 1
974 1 26 CYS H 1 26 CYS QB 3.330 . 3.330 2.241 2.225 2.253 . 0 0 "[ . 1 . 2]" 1
975 1 16 ALA MB 1 17 LEU H 3.430 . 3.430 2.640 2.335 2.719 . 0 0 "[ . 1 . 2]" 1
976 1 15 GLY HA3 1 16 ALA H 3.410 . 3.410 2.581 2.320 2.727 . 0 0 "[ . 1 . 2]" 1
977 1 16 ALA H 1 17 LEU QB 4.730 . 4.730 4.507 4.064 4.689 . 0 0 "[ . 1 . 2]" 1
978 1 50 VAL MG2 1 51 CYS H 3.820 . 3.820 3.885 3.851 3.920 0.100 6 0 "[ . 1 . 2]" 1
979 1 11 ARG HA 1 13 ASN H 4.690 . 4.690 3.171 2.926 3.342 . 0 0 "[ . 1 . 2]" 1
980 1 13 ASN H 1 13 ASN HB3 3.990 . 3.990 3.349 3.076 3.734 . 0 0 "[ . 1 . 2]" 1
981 1 7 THR H 1 7 THR HB 4.000 . 4.000 3.521 3.170 3.728 . 0 0 "[ . 1 . 2]" 1
982 1 49 CYS HB3 1 50 VAL H 4.880 . 4.880 4.442 4.389 4.495 . 0 0 "[ . 1 . 2]" 1
983 1 27 ILE HB 1 30 CYS H 5.420 . 5.420 5.466 5.419 5.502 0.082 2 0 "[ . 1 . 2]" 1
984 1 42 ARG H 1 42 ARG HB2 3.300 . 3.300 2.308 2.154 2.416 . 0 0 "[ . 1 . 2]" 1
985 1 47 PRO HA 1 48 THR H 2.970 . 2.970 2.190 2.142 2.253 . 0 0 "[ . 1 . 2]" 1
986 1 43 ARG QB 1 48 THR H 5.490 . 5.490 4.729 4.290 5.338 . 0 0 "[ . 1 . 2]" 1
987 1 47 PRO QG 1 48 THR H 5.760 . 5.760 4.763 4.719 4.933 . 0 0 "[ . 1 . 2]" 1
988 1 8 SER H 1 8 SER QB 3.720 . 3.720 2.564 2.450 2.693 . 0 0 "[ . 1 . 2]" 1
989 1 37 THR MG 1 39 HIS H 5.380 . 5.380 4.877 4.556 5.183 . 0 0 "[ . 1 . 2]" 1
990 1 17 LEU H 1 20 LYS QB 5.520 . 5.520 5.116 4.650 5.566 0.046 10 0 "[ . 1 . 2]" 1
991 1 30 CYS H 1 31 LYS HG3 5.350 . 5.350 4.245 3.924 4.466 . 0 0 "[ . 1 . 2]" 1
992 1 26 CYS QB 1 39 HIS H 5.100 . 5.100 4.207 4.090 4.353 . 0 0 "[ . 1 . 2]" 1
993 1 12 MET ME 1 41 GLU H 4.930 . 4.930 3.225 3.060 3.375 . 0 0 "[ . 1 . 2]" 1
994 1 41 GLU HB3 1 43 ARG HE 4.650 . 4.650 3.343 2.302 3.788 . 0 0 "[ . 1 . 2]" 1
995 1 11 ARG HA 1 11 ARG HE 5.900 . 5.900 4.378 3.243 5.862 . 0 0 "[ . 1 . 2]" 1
996 1 41 GLU HA 1 50 VAL H 5.690 . 5.690 5.704 5.633 5.763 0.073 3 0 "[ . 1 . 2]" 1
997 1 10 ALA H 1 48 THR HA 5.310 . 5.310 5.388 5.330 5.466 0.156 12 0 "[ . 1 . 2]" 1
998 1 12 MET H 1 40 CYS HB3 5.160 . 5.160 5.140 4.831 5.259 0.099 14 0 "[ . 1 . 2]" 1
999 1 14 ASP H 1 19 ALA MB 5.660 . 5.660 4.891 4.648 5.200 . 0 0 "[ . 1 . 2]" 1
1000 1 14 ASP H 1 22 ALA MB 6.000 . 6.000 5.157 4.912 5.317 . 0 0 "[ . 1 . 2]" 1
1001 1 27 ILE MG 1 31 LYS H 4.940 . 4.940 3.955 3.909 4.066 . 0 0 "[ . 1 . 2]" 1
1002 1 17 LEU MD1 1 18 GLY H 5.190 . 5.190 3.888 3.674 4.217 . 0 0 "[ . 1 . 2]" 1
1003 1 23 GLN H 1 27 ILE MD 5.480 . 5.480 5.504 5.428 5.542 0.062 8 0 "[ . 1 . 2]" 1
1004 1 10 ALA MB 1 13 ASN HD22 5.310 . 5.310 3.967 2.989 5.290 . 0 0 "[ . 1 . 2]" 1
1005 1 41 GLU H 1 47 PRO HA 5.530 . 5.530 4.640 4.472 4.815 . 0 0 "[ . 1 . 2]" 1
1006 1 42 ARG H 1 47 PRO HA 5.010 . 5.010 4.405 4.264 4.563 . 0 0 "[ . 1 . 2]" 1
1007 1 6 PHE HB3 1 7 THR H 4.990 . 4.990 4.092 3.931 4.212 . 0 0 "[ . 1 . 2]" 1
1008 1 11 ARG HA 1 21 VAL MG1 5.690 . 5.690 5.538 5.151 5.714 0.024 10 0 "[ . 1 . 2]" 1
1009 1 10 ALA HA 1 12 MET ME 4.360 . 4.360 4.315 3.767 4.455 0.095 9 0 "[ . 1 . 2]" 1
1010 1 27 ILE H 1 27 ILE HB 3.740 . 3.740 2.554 2.502 2.629 . 0 0 "[ . 1 . 2]" 1
1011 1 10 ALA HA 1 12 MET HG2 4.310 . 4.310 3.253 2.774 3.369 . 0 0 "[ . 1 . 2]" 1
1012 1 17 LEU MD1 1 20 LYS QD 6.000 . 6.000 5.356 3.557 5.651 . 0 0 "[ . 1 . 2]" 1
1013 1 17 LEU MD2 1 20 LYS QD 6.000 . 6.000 5.010 2.526 5.460 . 0 0 "[ . 1 . 2]" 1
1014 1 20 LYS H 1 23 GLN QG 5.200 . 5.200 4.575 4.335 4.790 . 0 0 "[ . 1 . 2]" 1
1015 1 27 ILE MD 1 38 GLY H 4.620 . 4.620 4.027 3.649 4.179 . 0 0 "[ . 1 . 2]" 1
1016 1 31 LYS QD 1 37 THR HA 5.550 . 5.550 4.425 3.813 5.571 0.021 2 0 "[ . 1 . 2]" 1
1017 1 35 CYS HB3 1 51 CYS HB3 4.130 . 4.130 2.115 2.017 2.236 . 0 0 "[ . 1 . 2]" 1
1018 1 28 SER HA 1 29 SER HA 4.890 . 4.890 4.784 4.732 4.831 . 0 0 "[ . 1 . 2]" 1
1019 1 8 SER HA 1 25 ALA MB 4.780 . 4.780 3.776 3.239 4.086 . 0 0 "[ . 1 . 2]" 1
1020 1 25 ALA MB 1 29 SER QB 5.020 . 5.020 4.398 3.892 4.818 . 0 0 "[ . 1 . 2]" 1
1021 1 31 LYS HA 1 31 LYS QD 4.370 . 4.370 4.166 4.049 4.217 . 0 0 "[ . 1 . 2]" 1
1022 1 38 GLY HA2 1 51 CYS HA 3.750 . 3.750 1.962 1.882 2.036 . 0 0 "[ . 1 . 2]" 1
1023 1 27 ILE MD 1 39 HIS QB 5.200 . 5.200 4.850 4.652 5.076 . 0 0 "[ . 1 . 2]" 1
1024 1 4 LEU HA 1 4 LEU MD2 3.670 . 3.670 3.640 3.602 3.706 0.036 16 0 "[ . 1 . 2]" 1
1025 1 4 LEU HA 1 4 LEU MD1 4.350 . 4.350 4.095 4.047 4.118 . 0 0 "[ . 1 . 2]" 1
1026 1 27 ILE HG12 1 27 ILE MG 3.010 . 3.010 2.353 2.298 2.391 . 0 0 "[ . 1 . 2]" 1
1027 1 17 LEU HA 1 17 LEU MD2 4.260 . 4.260 1.975 1.918 2.058 . 0 0 "[ . 1 . 2]" 1
1028 1 48 THR MG 1 49 CYS HA 4.430 . 4.430 4.019 3.847 4.134 . 0 0 "[ . 1 . 2]" 1
1029 1 6 PHE H 1 7 THR MG 4.930 . 4.930 3.913 2.796 4.536 . 0 0 "[ . 1 . 2]" 1
1030 1 9 CYS HB2 1 22 ALA MB 4.180 . 4.180 4.053 3.913 4.167 . 0 0 "[ . 1 . 2]" 1
1031 1 43 ARG QG 1 48 THR HB 4.500 . 4.500 2.994 2.215 3.586 . 0 0 "[ . 1 . 2]" 1
1032 1 11 ARG QG 1 13 ASN H 5.290 . 5.290 5.047 4.758 5.444 0.154 12 0 "[ . 1 . 2]" 1
1033 1 17 LEU H 1 17 LEU HG 5.540 . 5.540 4.548 4.459 4.587 . 0 0 "[ . 1 . 2]" 1
1034 1 22 ALA HA 1 25 ALA MB 3.800 . 3.800 2.927 2.750 3.070 . 0 0 "[ . 1 . 2]" 1
1035 1 12 MET ME 1 47 PRO QD 4.430 . 4.430 4.526 4.434 4.603 0.173 5 0 "[ . 1 . 2]" 1
1036 1 17 LEU MD2 1 20 LYS QB 4.180 . 4.180 3.369 2.965 3.635 . 0 0 "[ . 1 . 2]" 1
1037 1 23 GLN HB2 1 24 ALA HA 5.080 . 5.080 4.773 4.673 4.845 . 0 0 "[ . 1 . 2]" 1
1038 1 30 CYS HA 1 33 GLN HG3 4.710 . 4.710 3.008 2.844 3.177 . 0 0 "[ . 1 . 2]" 1
1039 1 19 ALA MB 1 20 LYS QE 4.450 . 4.450 3.258 2.467 3.764 . 0 0 "[ . 1 . 2]" 1
1040 1 11 ARG QG 1 18 GLY HA2 4.350 . 4.350 3.758 3.391 4.330 . 0 0 "[ . 1 . 2]" 1
1041 1 28 SER QB 1 31 LYS QB 4.530 . 4.530 4.256 4.133 4.393 . 0 0 "[ . 1 . 2]" 1
1042 1 27 ILE MG 1 28 SER QB 4.530 . 4.530 4.293 4.014 4.604 0.074 14 0 "[ . 1 . 2]" 1
1043 1 25 ALA HA 1 28 SER H 5.150 . 5.150 3.977 3.650 4.159 . 0 0 "[ . 1 . 2]" 1
1044 1 17 LEU HA 1 19 ALA MB 4.820 . 4.820 4.689 4.514 4.842 0.022 19 0 "[ . 1 . 2]" 1
1045 1 11 ARG HA 1 11 ARG QG 3.670 . 3.670 3.436 3.363 3.517 . 0 0 "[ . 1 . 2]" 1
1046 1 30 CYS HA 1 33 GLN QB 4.480 . 4.480 4.139 4.051 4.218 . 0 0 "[ . 1 . 2]" 1
1047 1 27 ILE MG 1 37 THR HA 3.980 . 3.980 2.871 2.298 3.260 . 0 0 "[ . 1 . 2]" 1
1048 1 12 MET ME 1 12 MET HG2 3.110 . 3.110 2.491 2.429 2.515 . 0 0 "[ . 1 . 2]" 1
1049 1 26 CYS QB 1 40 CYS HB2 6.000 . 6.000 4.852 4.712 5.008 . 0 0 "[ . 1 . 2]" 1
1050 1 51 CYS HB2 1 52 SER QB 6.000 . 6.000 5.624 5.256 5.825 . 0 0 "[ . 1 . 2]" 1
1051 1 30 CYS QB 1 51 CYS HB3 3.700 . 3.700 2.430 2.242 2.589 . 0 0 "[ . 1 . 2]" 1
1052 1 10 ALA MB 1 47 PRO QG 4.100 . 4.100 3.150 2.275 4.095 . 0 0 "[ . 1 . 2]" 1
1053 1 9 CYS HB3 1 40 CYS HB2 4.060 . 4.060 3.563 3.480 3.614 . 0 0 "[ . 1 . 2]" 1
1054 1 36 GLY HA3 1 53 ARG QG 4.650 . 4.650 3.625 3.017 4.532 . 0 0 "[ . 1 . 2]" 1
1055 1 12 MET ME 1 41 GLU HA 3.650 . 3.650 3.209 2.974 3.379 . 0 0 "[ . 1 . 2]" 1
1056 1 43 ARG QG 1 48 THR MG 4.520 . 4.520 3.902 2.903 4.643 0.123 17 0 "[ . 1 . 2]" 1
1057 1 28 SER HA 1 31 LYS QB 4.720 . 4.720 2.848 2.644 3.082 . 0 0 "[ . 1 . 2]" 1
1058 1 9 CYS HB2 1 40 CYS HB3 3.610 . 3.610 3.318 3.193 3.486 . 0 0 "[ . 1 . 2]" 1
1059 1 12 MET HB3 1 22 ALA H 5.530 . 5.530 5.450 5.264 5.574 0.044 12 0 "[ . 1 . 2]" 1
1060 1 27 ILE H 1 38 GLY HA3 4.030 . 4.030 4.109 4.045 4.226 0.196 13 0 "[ . 1 . 2]" 1
1061 1 12 MET ME 1 40 CYS H 4.640 . 4.640 4.493 4.351 4.581 . 0 0 "[ . 1 . 2]" 1
1062 1 27 ILE HA 1 37 THR HA 4.700 . 4.700 3.890 3.505 4.199 . 0 0 "[ . 1 . 2]" 1
1063 1 21 VAL HA 1 24 ALA H 4.800 . 4.800 3.685 3.627 3.770 . 0 0 "[ . 1 . 2]" 1
1064 1 42 ARG HE 1 46 ARG QB 5.710 . 5.710 5.564 5.272 5.938 0.228 15 0 "[ . 1 . 2]" 1
1065 1 41 GLU HB2 1 42 ARG H 4.740 . 4.740 4.231 4.097 4.344 . 0 0 "[ . 1 . 2]" 1
1066 1 38 GLY HA2 1 52 SER H 3.770 . 3.770 2.950 2.592 3.220 . 0 0 "[ . 1 . 2]" 1
1067 1 4 LEU HB2 1 5 ASP QB 5.130 . 5.130 4.693 4.090 5.332 0.202 10 0 "[ . 1 . 2]" 1
1068 1 4 LEU HB3 1 5 ASP QB 5.400 . 5.400 5.336 4.939 5.645 0.245 14 0 "[ . 1 . 2]" 1
1069 1 4 LEU MD1 1 5 ASP QB 5.450 . 5.450 3.871 3.259 4.470 . 0 0 "[ . 1 . 2]" 1
1070 1 4 LEU MD2 1 5 ASP QB 4.080 . 4.080 3.528 2.952 4.039 . 0 0 "[ . 1 . 2]" 1
1071 1 5 ASP H 1 5 ASP QB 3.190 . 3.190 2.756 2.208 3.274 0.084 2 0 "[ . 1 . 2]" 1
1072 1 5 ASP QB 1 6 PHE H 3.630 . 3.630 3.007 2.377 3.654 0.024 11 0 "[ . 1 . 2]" 1
1073 1 5 ASP QB 1 6 PHE HA 5.150 . 5.150 4.429 4.140 4.626 . 0 0 "[ . 1 . 2]" 1
1074 1 5 ASP QB 1 7 THR H 4.430 . 4.430 3.085 2.395 3.640 . 0 0 "[ . 1 . 2]" 1
1075 1 5 ASP QB 1 7 THR MG 5.770 . 5.770 4.853 3.164 5.863 0.093 11 0 "[ . 1 . 2]" 1
1076 1 5 ASP QB 1 8 SER H 5.750 . 5.750 5.545 4.749 6.006 0.256 4 0 "[ . 1 . 2]" 1
1077 1 5 ASP QB 1 8 SER HA 5.290 . 5.290 4.487 3.677 5.094 . 0 0 "[ . 1 . 2]" 1
1078 1 7 THR MG 1 49 CYS QB 5.810 . 5.810 4.775 4.123 5.433 . 0 0 "[ . 1 . 2]" 1
1079 1 8 SER H 1 49 CYS QB 4.530 . 4.530 3.679 3.133 4.140 . 0 0 "[ . 1 . 2]" 1
1080 1 8 SER HA 1 49 CYS QB 5.740 . 5.740 5.025 4.580 5.538 . 0 0 "[ . 1 . 2]" 1
1081 1 9 CYS H 1 49 CYS QB 4.220 . 4.220 3.377 3.059 3.591 . 0 0 "[ . 1 . 2]" 1
1082 1 9 CYS HB3 1 49 CYS QB 5.810 . 5.810 4.357 4.138 4.498 . 0 0 "[ . 1 . 2]" 1
1083 1 10 ALA H 1 13 ASN QD 5.770 . 5.770 5.554 5.238 5.863 0.093 19 0 "[ . 1 . 2]" 1
1084 1 10 ALA HA 1 13 ASN QD 4.120 . 4.120 3.175 2.900 3.422 . 0 0 "[ . 1 . 2]" 1
1085 1 10 ALA MB 1 13 ASN QD 4.530 . 4.530 3.517 2.923 4.073 . 0 0 "[ . 1 . 2]" 1
1086 1 11 ARG H 1 13 ASN QD 5.810 . 5.810 5.110 4.724 5.601 . 0 0 "[ . 1 . 2]" 1
1087 1 11 ARG HA 1 13 ASN QD 5.620 . 5.620 4.620 4.234 5.038 . 0 0 "[ . 1 . 2]" 1
1088 1 12 MET HG2 1 13 ASN QD 4.710 . 4.710 2.890 2.657 3.333 . 0 0 "[ . 1 . 2]" 1
1089 1 12 MET HG3 1 13 ASN QD 3.440 . 3.440 2.555 2.125 3.093 . 0 0 "[ . 1 . 2]" 1
1090 1 12 MET ME 1 13 ASN QD 4.560 . 4.560 4.413 4.015 4.712 0.152 18 0 "[ . 1 . 2]" 1
1091 1 13 ASN H 1 13 ASN QB 3.110 . 3.110 2.830 2.450 3.079 . 0 0 "[ . 1 . 2]" 1
1092 1 13 ASN H 1 13 ASN QD 3.640 . 3.640 2.778 2.497 3.476 . 0 0 "[ . 1 . 2]" 1
1093 1 13 ASN QB 1 14 ASP H 4.310 . 4.310 3.927 3.651 4.056 . 0 0 "[ . 1 . 2]" 1
1094 1 13 ASN QD 1 14 ASP H 5.810 . 5.810 4.843 4.679 5.348 . 0 0 "[ . 1 . 2]" 1
1095 1 13 ASN QD 1 14 ASP HB2 5.810 . 5.810 5.538 5.195 5.931 0.121 19 0 "[ . 1 . 2]" 1
1096 1 13 ASN QD 1 47 PRO QG 4.260 . 4.260 2.253 1.769 2.667 0.031 14 0 "[ . 1 . 2]" 1
1097 1 13 ASN QD 1 47 PRO QD 5.440 . 5.440 3.614 3.126 4.002 . 0 0 "[ . 1 . 2]" 1
1098 1 20 LYS H 1 20 LYS QG 4.150 . 4.150 3.788 2.061 4.047 . 0 0 "[ . 1 . 2]" 1
1099 1 20 LYS QG 1 23 GLN QG 5.410 . 5.410 3.549 3.317 3.771 . 0 0 "[ . 1 . 2]" 1
1100 1 20 LYS QG 1 23 GLN HE21 5.420 . 5.420 5.010 4.311 5.492 0.072 16 0 "[ . 1 . 2]" 1
1101 1 34 ASN H 1 34 ASN QD 5.560 . 5.560 5.302 5.026 5.397 . 0 0 "[ . 1 . 2]" 1
1102 1 34 ASN HB3 1 34 ASN QD 3.460 . 3.460 2.233 2.135 2.760 . 0 0 "[ . 1 . 2]" 1
1103 1 34 ASN QD 1 55 GLY H 5.380 . 5.380 3.341 2.230 4.698 . 0 0 "[ . 1 . 2]" 1
1104 1 34 ASN QD 1 55 GLY QA 4.420 . 4.420 2.754 2.271 3.936 . 0 0 "[ . 1 . 2]" 1
1105 1 35 CYS HA 1 54 CYS QB 3.980 . 3.980 3.476 2.845 3.746 . 0 0 "[ . 1 . 2]" 1
1106 1 36 GLY H 1 54 CYS QB 4.950 . 4.950 4.697 3.390 4.994 0.044 8 0 "[ . 1 . 2]" 1
1107 1 41 GLU H 1 49 CYS QB 5.810 . 5.810 5.134 5.071 5.229 . 0 0 "[ . 1 . 2]" 1
1108 1 48 THR HA 1 49 CYS QB 4.640 . 4.640 4.100 4.062 4.122 . 0 0 "[ . 1 . 2]" 1
1109 1 49 CYS H 1 49 CYS QB 3.140 . 3.140 2.239 2.218 2.265 . 0 0 "[ . 1 . 2]" 1
1110 1 49 CYS QB 1 50 VAL H 4.090 . 4.090 3.910 3.846 3.963 . 0 0 "[ . 1 . 2]" 1
1111 1 49 CYS QB 1 50 VAL HA 5.590 . 5.590 4.639 4.563 4.681 . 0 0 "[ . 1 . 2]" 1
1112 1 49 CYS QB 1 50 VAL MG1 5.280 . 5.280 4.696 4.595 4.771 . 0 0 "[ . 1 . 2]" 1
1113 1 53 ARG H 1 54 CYS QB 5.810 . 5.810 4.738 4.257 4.991 . 0 0 "[ . 1 . 2]" 1
1114 1 53 ARG HA 1 54 CYS QB 5.150 . 5.150 4.806 4.646 4.944 . 0 0 "[ . 1 . 2]" 1
1115 1 54 CYS H 1 54 CYS QB 3.420 . 3.420 2.457 2.417 2.516 . 0 0 "[ . 1 . 2]" 1
1116 1 54 CYS QB 1 55 GLY H 4.200 . 4.200 2.552 1.855 3.154 . 0 0 "[ . 1 . 2]" 1
1117 1 54 CYS QB 1 55 GLY QA 5.130 . 5.130 3.801 3.526 4.194 . 0 0 "[ . 1 . 2]" 1
1118 1 54 CYS QB 1 56 ASN H 5.390 . 5.390 4.137 2.452 5.499 0.109 5 0 "[ . 1 . 2]" 1
1119 1 56 ASN H 1 56 ASN QD 5.290 . 5.290 4.268 2.906 5.132 . 0 0 "[ . 1 . 2]" 1
1120 1 59 GLY QA 1 60 GLU QG 5.720 . 5.720 4.297 3.244 5.521 . 0 0 "[ . 1 . 2]" 1
1121 1 60 GLU H 1 60 GLU QB 3.420 . 3.420 2.833 2.272 3.288 . 0 0 "[ . 1 . 2]" 1
1122 1 60 GLU H 1 60 GLU QG 4.310 . 4.310 3.259 2.234 4.423 0.113 15 0 "[ . 1 . 2]" 1
1123 1 60 GLU HA 1 60 GLU QG 3.550 . 3.550 2.855 2.327 3.498 . 0 0 "[ . 1 . 2]" 1
1124 1 60 GLU HA 1 61 TRP QB 5.810 . 5.810 4.550 4.238 5.384 . 0 0 "[ . 1 . 2]" 1
1125 1 60 GLU QB 1 61 TRP H 3.050 . 3.050 2.708 1.932 3.476 0.426 10 0 "[ . 1 . 2]" 1
1126 1 60 GLU QG 1 61 TRP H 4.480 . 4.480 3.447 1.880 4.322 . 0 0 "[ . 1 . 2]" 1
1127 1 60 GLU QG 1 61 TRP HA 5.810 . 5.810 4.667 3.325 5.884 0.074 2 0 "[ . 1 . 2]" 1
1128 1 61 TRP H 1 61 TRP QB 3.310 . 3.310 2.776 2.316 3.393 0.083 15 0 "[ . 1 . 2]" 1
1129 1 61 TRP QB 1 64 LEU H 4.170 . 4.170 2.680 2.047 3.315 . 0 0 "[ . 1 . 2]" 1
1130 1 61 TRP QB 1 64 LEU HA 4.680 . 4.680 2.361 1.863 3.172 . 0 0 "[ . 1 . 2]" 1
1131 1 61 TRP QB 1 64 LEU QD 4.790 . 4.790 2.622 1.843 4.871 0.081 20 0 "[ . 1 . 2]" 1
1132 1 61 TRP QB 1 65 PRO QD 3.900 . 3.900 2.141 1.717 3.226 0.083 15 0 "[ . 1 . 2]" 1
1133 1 63 ASN H 1 63 ASN QB 3.460 . 3.460 2.670 2.244 3.120 . 0 0 "[ . 1 . 2]" 1
1134 1 63 ASN QB 1 64 LEU H 4.220 . 4.220 3.578 2.952 3.961 . 0 0 "[ . 1 . 2]" 1
1135 1 63 ASN QD 1 64 LEU HG 5.560 . 5.560 5.416 3.328 5.892 0.332 7 0 "[ . 1 . 2]" 1
1136 1 63 ASN QD 1 64 LEU QD 5.560 . 5.560 4.855 3.207 5.534 . 0 0 "[ . 1 . 2]" 1
1137 1 64 LEU H 1 64 LEU QD 4.490 . 4.490 2.880 2.489 3.653 . 0 0 "[ . 1 . 2]" 1
1138 1 64 LEU HA 1 64 LEU QD 3.660 . 3.660 2.348 2.031 3.452 . 0 0 "[ . 1 . 2]" 1
1139 1 67 ARG QB 1 68 GLY H 4.400 . 4.400 2.842 1.930 3.851 . 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 12
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 CYS 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 9 CYS SG 1 40 CYS SG 2.500 . 2.500 2.027 2.021 2.031 . 0 0 "[ . 1 . 2]" 2
2 1 9 CYS SG 1 40 CYS CB 3.500 . 3.500 3.009 2.978 3.032 . 0 0 "[ . 1 . 2]" 2
3 1 9 CYS CB 1 40 CYS SG 3.500 . 3.500 3.014 2.996 3.030 . 0 0 "[ . 1 . 2]" 2
4 1 26 CYS SG 1 49 CYS SG 2.500 . 2.500 2.025 2.020 2.031 . 0 0 "[ . 1 . 2]" 2
5 1 26 CYS SG 1 49 CYS CB 3.500 . 3.500 3.034 3.013 3.052 . 0 0 "[ . 1 . 2]" 2
6 1 26 CYS CB 1 49 CYS SG 3.500 . 3.500 3.012 2.999 3.027 . 0 0 "[ . 1 . 2]" 2
7 1 30 CYS SG 1 51 CYS SG 2.500 . 2.500 2.025 2.018 2.029 . 0 0 "[ . 1 . 2]" 2
8 1 30 CYS SG 1 51 CYS CB 3.500 . 3.500 3.015 2.986 3.041 . 0 0 "[ . 1 . 2]" 2
9 1 30 CYS CB 1 51 CYS SG 3.500 . 3.500 3.020 2.980 3.047 . 0 0 "[ . 1 . 2]" 2
10 1 35 CYS SG 1 54 CYS SG 2.500 . 2.500 2.033 2.027 2.047 . 0 0 "[ . 1 . 2]" 2
11 1 35 CYS SG 1 54 CYS CB 3.500 . 3.500 3.042 3.021 3.096 . 0 0 "[ . 1 . 2]" 2
12 1 35 CYS CB 1 54 CYS SG 3.500 . 3.500 3.042 3.015 3.082 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 200
_Distance_constraint_stats_list.Viol_total 197.592
_Distance_constraint_stats_list.Viol_max 0.215
_Distance_constraint_stats_list.Viol_rms 0.0291
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0494
_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 9 CYS 0.013 0.013 4 0 "[ . 1 . 2]"
1 10 ALA 4.891 0.215 16 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 MET 0.013 0.013 4 0 "[ . 1 . 2]"
1 13 ASN 4.891 0.215 16 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 0.022 0.022 12 0 "[ . 1 . 2]"
1 18 GLY 0.596 0.059 8 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.034 0.022 12 0 "[ . 1 . 2]"
1 22 ALA 0.596 0.059 8 0 "[ . 1 . 2]"
1 23 GLN 0.319 0.067 7 0 "[ . 1 . 2]"
1 24 ALA 0.235 0.064 15 0 "[ . 1 . 2]"
1 25 ALA 0.619 0.058 5 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.319 0.067 7 0 "[ . 1 . 2]"
1 28 SER 0.246 0.064 15 0 "[ . 1 . 2]"
1 29 SER 0.607 0.058 5 0 "[ . 1 . 2]"
1 30 CYS 1.142 0.159 13 0 "[ . 1 . 2]"
1 31 LYS 0.156 0.037 10 0 "[ . 1 . 2]"
1 32 PHE 0.011 0.011 1 0 "[ . 1 . 2]"
1 33 GLN 1.127 0.159 13 0 "[ . 1 . 2]"
1 34 ASN 0.156 0.037 10 0 "[ . 1 . 2]"
1 35 CYS 0.015 0.015 20 0 "[ . 1 . 2]"
1 37 THR 0.457 0.080 20 0 "[ . 1 . 2]"
1 39 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.216 0.061 20 0 "[ . 1 . 2]"
1 43 ARG 1.203 0.166 7 0 "[ . 1 . 2]"
1 46 ARG 1.203 0.166 7 0 "[ . 1 . 2]"
1 48 THR 0.216 0.061 20 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.457 0.080 20 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 9 CYS O 1 12 MET H 2.220 . 2.220 2.065 1.972 2.220 . 0 0 "[ . 1 . 2]" 3
2 1 9 CYS O 1 12 MET N 3.130 . 3.130 3.005 2.924 3.143 0.013 4 0 "[ . 1 . 2]" 3
3 1 10 ALA O 1 13 ASN H 2.220 . 2.220 2.326 2.234 2.396 0.176 16 0 "[ . 1 . 2]" 3
4 1 10 ALA O 1 13 ASN N 3.130 . 3.130 3.269 3.186 3.345 0.215 16 0 "[ . 1 . 2]" 3
5 1 11 ARG O 1 14 ASP H 2.220 . 2.220 1.971 1.841 2.072 . 0 0 "[ . 1 . 2]" 3
6 1 11 ARG O 1 14 ASP N 3.130 . 3.130 2.800 2.749 2.820 . 0 0 "[ . 1 . 2]" 3
7 1 17 LEU O 1 21 VAL H 2.220 . 2.220 2.038 1.898 2.204 . 0 0 "[ . 1 . 2]" 3
8 1 17 LEU O 1 21 VAL N 3.130 . 3.130 2.987 2.849 3.152 0.022 12 0 "[ . 1 . 2]" 3
9 1 18 GLY O 1 22 ALA H 2.220 . 2.220 1.772 1.741 1.824 0.059 8 0 "[ . 1 . 2]" 3
10 1 18 GLY O 1 22 ALA N 3.130 . 3.130 2.736 2.700 2.789 . 0 0 "[ . 1 . 2]" 3
11 1 19 ALA O 1 23 GLN H 2.220 . 2.220 1.979 1.874 2.052 . 0 0 "[ . 1 . 2]" 3
12 1 19 ALA O 1 23 GLN N 3.130 . 3.130 2.941 2.835 3.020 . 0 0 "[ . 1 . 2]" 3
13 1 20 LYS O 1 24 ALA H 2.220 . 2.220 2.033 1.860 2.186 . 0 0 "[ . 1 . 2]" 3
14 1 20 LYS O 1 24 ALA N 3.130 . 3.130 2.959 2.792 3.118 . 0 0 "[ . 1 . 2]" 3
15 1 21 VAL O 1 25 ALA H 2.220 . 2.220 1.900 1.789 2.075 0.011 13 0 "[ . 1 . 2]" 3
16 1 21 VAL O 1 25 ALA N 3.130 . 3.130 2.861 2.742 3.026 . 0 0 "[ . 1 . 2]" 3
17 1 22 ALA O 1 26 CYS H 2.220 . 2.220 1.981 1.893 2.060 . 0 0 "[ . 1 . 2]" 3
18 1 22 ALA O 1 26 CYS N 3.130 . 3.130 2.838 2.756 2.926 . 0 0 "[ . 1 . 2]" 3
19 1 23 GLN O 1 27 ILE H 2.220 . 2.220 1.796 1.733 1.879 0.067 7 0 "[ . 1 . 2]" 3
20 1 23 GLN O 1 27 ILE N 3.130 . 3.130 2.773 2.714 2.828 . 0 0 "[ . 1 . 2]" 3
21 1 24 ALA O 1 28 SER H 2.220 . 2.220 2.120 1.999 2.243 0.023 15 0 "[ . 1 . 2]" 3
22 1 24 ALA O 1 28 SER N 3.130 . 3.130 3.084 2.963 3.194 0.064 15 0 "[ . 1 . 2]" 3
23 1 25 ALA O 1 29 SER H 2.220 . 2.220 2.189 1.854 2.274 0.054 5 0 "[ . 1 . 2]" 3
24 1 25 ALA O 1 29 SER N 3.130 . 3.130 3.105 2.811 3.188 0.058 5 0 "[ . 1 . 2]" 3
25 1 26 CYS O 1 30 CYS H 2.220 . 2.220 1.939 1.876 2.043 . 0 0 "[ . 1 . 2]" 3
26 1 26 CYS O 1 30 CYS N 3.130 . 3.130 2.834 2.782 2.921 . 0 0 "[ . 1 . 2]" 3
27 1 27 ILE O 1 31 LYS H 2.220 . 2.220 1.947 1.893 2.014 . 0 0 "[ . 1 . 2]" 3
28 1 27 ILE O 1 31 LYS N 3.130 . 3.130 2.920 2.864 2.987 . 0 0 "[ . 1 . 2]" 3
29 1 28 SER O 1 32 PHE H 2.220 . 2.220 2.041 1.867 2.196 . 0 0 "[ . 1 . 2]" 3
30 1 28 SER O 1 32 PHE N 3.130 . 3.130 2.984 2.826 3.141 0.011 1 0 "[ . 1 . 2]" 3
31 1 30 CYS O 1 33 GLN H 2.220 . 2.220 2.273 2.163 2.379 0.159 13 0 "[ . 1 . 2]" 3
32 1 30 CYS O 1 33 GLN N 3.130 . 3.130 2.991 2.905 3.050 . 0 0 "[ . 1 . 2]" 3
33 1 31 LYS O 1 34 ASN H 2.220 . 2.220 2.146 2.000 2.257 0.037 10 0 "[ . 1 . 2]" 3
34 1 31 LYS O 1 34 ASN N 3.130 . 3.130 3.036 2.891 3.149 0.019 10 0 "[ . 1 . 2]" 3
35 1 30 CYS O 1 35 CYS H 2.220 . 2.220 1.966 1.785 2.045 0.015 20 0 "[ . 1 . 2]" 3
36 1 30 CYS O 1 35 CYS N 3.130 . 3.130 2.788 2.678 2.836 . 0 0 "[ . 1 . 2]" 3
37 1 37 THR H 1 52 SER O 2.120 . 2.120 2.086 1.999 2.136 0.016 20 0 "[ . 1 . 2]" 3
38 1 37 THR N 1 52 SER O 3.050 . 3.050 3.032 2.918 3.101 0.051 15 0 "[ . 1 . 2]" 3
39 1 39 HIS H 1 50 VAL O 2.120 . 2.120 1.977 1.869 2.100 . 0 0 "[ . 1 . 2]" 3
40 1 39 HIS N 1 50 VAL O 3.050 . 3.050 2.938 2.842 3.046 . 0 0 "[ . 1 . 2]" 3
41 1 41 GLU H 1 48 THR O 2.120 . 2.120 1.810 1.739 1.873 0.061 20 0 "[ . 1 . 2]" 3
42 1 41 GLU N 1 48 THR O 3.050 . 3.050 2.772 2.708 2.839 . 0 0 "[ . 1 . 2]" 3
43 1 43 ARG H 1 46 ARG O 2.120 . 2.120 1.787 1.727 1.884 0.073 13 0 "[ . 1 . 2]" 3
44 1 43 ARG N 1 46 ARG O 3.050 . 3.050 2.751 2.707 2.817 . 0 0 "[ . 1 . 2]" 3
45 1 43 ARG O 1 46 ARG H 2.120 . 2.120 2.139 2.016 2.286 0.166 7 0 "[ . 1 . 2]" 3
46 1 43 ARG O 1 46 ARG N 3.050 . 3.050 3.001 2.899 3.071 0.021 16 0 "[ . 1 . 2]" 3
47 1 41 GLU O 1 48 THR H 2.120 . 2.120 1.860 1.780 1.990 0.020 8 0 "[ . 1 . 2]" 3
48 1 41 GLU O 1 48 THR N 3.050 . 3.050 2.795 2.724 2.907 . 0 0 "[ . 1 . 2]" 3
49 1 39 HIS O 1 50 VAL H 2.120 . 2.120 2.001 1.893 2.094 . 0 0 "[ . 1 . 2]" 3
50 1 39 HIS O 1 50 VAL N 3.050 . 3.050 2.923 2.857 2.987 . 0 0 "[ . 1 . 2]" 3
51 1 37 THR O 1 52 SER H 2.120 . 2.120 1.839 1.720 1.909 0.080 20 0 "[ . 1 . 2]" 3
52 1 37 THR O 1 52 SER N 3.050 . 3.050 2.806 2.698 2.883 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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