NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583591 |
2mfk   |
19553 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mfk
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 1190
_Distance_constraint_stats_list.Viol_count 1410
_Distance_constraint_stats_list.Viol_total 1700.391
_Distance_constraint_stats_list.Viol_max 0.415
_Distance_constraint_stats_list.Viol_rms 0.0198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0603
_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 2 PRO 0.506 0.205 19 0 "[ . 1 . 2]"
1 3 LEU 1.907 0.258 5 0 "[ . 1 . 2]"
1 4 GLY 1.055 0.242 19 0 "[ . 1 . 2]"
1 5 SER 0.702 0.173 4 0 "[ . 1 . 2]"
1 6 ASP 2.906 0.282 4 0 "[ . 1 . 2]"
1 7 LEU 3.672 0.282 4 0 "[ . 1 . 2]"
1 8 ILE 10.367 0.234 12 0 "[ . 1 . 2]"
1 9 VAL 0.706 0.104 18 0 "[ . 1 . 2]"
1 10 HIS 0.267 0.080 10 0 "[ . 1 . 2]"
1 11 GLU 6.593 0.415 12 0 "[ . 1 . 2]"
1 12 GLY 0.136 0.034 1 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 1.332 0.202 20 0 "[ . 1 . 2]"
1 15 THR 14.157 0.234 12 0 "[ . 1 . 2]"
1 16 TYR 0.288 0.042 19 0 "[ . 1 . 2]"
1 17 HIS 3.011 0.143 14 0 "[ . 1 . 2]"
1 18 VAL 4.155 0.201 4 0 "[ . 1 . 2]"
1 19 VAL 4.106 0.201 4 0 "[ . 1 . 2]"
1 20 CYS 0.796 0.123 5 0 "[ . 1 . 2]"
1 21 HIS 0.307 0.211 4 0 "[ . 1 . 2]"
1 22 GLU 0.711 0.211 4 0 "[ . 1 . 2]"
1 23 GLU 1.159 0.150 2 0 "[ . 1 . 2]"
1 24 GLY 1.910 0.168 5 0 "[ . 1 . 2]"
1 25 PRO 2.367 0.168 5 0 "[ . 1 . 2]"
1 26 ILE 4.454 0.230 12 0 "[ . 1 . 2]"
1 27 PRO 3.305 0.165 17 0 "[ . 1 . 2]"
1 28 HIS 1.630 0.144 6 0 "[ . 1 . 2]"
1 29 PRO 0.759 0.162 11 0 "[ . 1 . 2]"
1 30 GLY 0.017 0.017 20 0 "[ . 1 . 2]"
1 31 ASN 6.234 0.415 12 0 "[ . 1 . 2]"
1 32 VAL 0.916 0.147 20 0 "[ . 1 . 2]"
1 33 HIS 0.539 0.075 20 0 "[ . 1 . 2]"
1 34 LYS 9.890 0.314 13 0 "[ . 1 . 2]"
1 35 TYR 7.523 0.314 13 0 "[ . 1 . 2]"
1 36 ILE 4.681 0.162 11 0 "[ . 1 . 2]"
1 37 ILE 2.927 0.082 5 0 "[ . 1 . 2]"
1 38 CYS 2.050 0.142 4 0 "[ . 1 . 2]"
1 39 SER 0.284 0.119 5 0 "[ . 1 . 2]"
1 40 LYS 1.231 0.163 4 0 "[ . 1 . 2]"
1 41 SER 0.248 0.076 18 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 1.491 0.210 5 0 "[ . 1 . 2]"
1 44 LEU 3.313 0.316 15 0 "[ . 1 . 2]"
1 45 TRP 0.853 0.127 14 0 "[ . 1 . 2]"
1 46 TYR 1.998 0.162 6 0 "[ . 1 . 2]"
1 47 ILE 2.805 0.162 6 0 "[ . 1 . 2]"
1 48 THR 1.229 0.105 14 0 "[ . 1 . 2]"
1 49 VAL 4.697 0.167 16 0 "[ . 1 . 2]"
1 50 MET 4.368 0.143 3 0 "[ . 1 . 2]"
1 51 PRO 0.128 0.072 11 0 "[ . 1 . 2]"
1 52 CYS 5.411 0.174 12 0 "[ . 1 . 2]"
1 53 SER 1.516 0.157 20 0 "[ . 1 . 2]"
1 54 ILE 2.721 0.157 4 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 1.667 0.176 10 0 "[ . 1 . 2]"
1 57 LYS 1.980 0.148 1 0 "[ . 1 . 2]"
1 58 PHE 0.852 0.099 11 0 "[ . 1 . 2]"
1 59 ASP 2.395 0.165 17 0 "[ . 1 . 2]"
1 60 PRO 0.295 0.057 9 0 "[ . 1 . 2]"
1 61 ILE 3.695 0.230 12 0 "[ . 1 . 2]"
1 62 SER 0.344 0.143 8 0 "[ . 1 . 2]"
1 63 ARG 2.219 0.121 12 0 "[ . 1 . 2]"
1 64 ASN 1.400 0.097 14 0 "[ . 1 . 2]"
1 65 CYS 0.945 0.136 2 0 "[ . 1 . 2]"
1 66 VAL 1.278 0.148 1 0 "[ . 1 . 2]"
1 67 LEU 2.258 0.234 13 0 "[ . 1 . 2]"
1 68 ASP 0.786 0.107 3 0 "[ . 1 . 2]"
1 69 ASN 1.731 0.234 13 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 66 VAL H 1 66 VAL MG1 2.890 . 2.890 2.742 2.639 2.899 0.009 13 0 "[ . 1 . 2]" 1
2 1 4 GLY QA 1 5 SER H 3.130 . 3.130 2.738 2.409 2.903 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO HA 1 3 LEU H 3.320 . 3.320 2.532 2.144 3.525 0.205 19 0 "[ . 1 . 2]" 1
4 1 3 LEU H 1 3 LEU QB 3.380 . 3.380 2.532 2.242 3.264 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU HA 1 4 GLY H 3.180 . 3.180 2.530 2.130 3.366 0.186 18 0 "[ . 1 . 2]" 1
6 1 5 SER QB 1 6 ASP H 4.310 . 4.310 2.771 2.298 3.468 . 0 0 "[ . 1 . 2]" 1
7 1 19 VAL MG1 1 20 CYS H 4.070 . 4.070 3.056 2.464 3.999 . 0 0 "[ . 1 . 2]" 1
8 1 23 GLU H 1 45 TRP HZ3 4.320 . 4.320 4.007 3.691 4.294 . 0 0 "[ . 1 . 2]" 1
9 1 24 GLY H 1 45 TRP HZ3 4.520 . 4.520 4.089 3.663 4.548 0.028 12 0 "[ . 1 . 2]" 1
10 1 29 PRO HG2 1 30 GLY H 4.440 . 4.440 2.515 2.141 2.835 . 0 0 "[ . 1 . 2]" 1
11 1 28 HIS HB2 1 35 TYR H 4.470 . 4.470 3.816 3.569 4.266 . 0 0 "[ . 1 . 2]" 1
12 1 39 SER H 1 45 TRP HE3 4.050 . 4.050 3.354 2.912 4.082 0.032 5 0 "[ . 1 . 2]" 1
13 1 41 SER H 1 46 TYR QD 3.980 . 3.980 3.056 2.733 3.554 . 0 0 "[ . 1 . 2]" 1
14 1 41 SER H 1 46 TYR QE 4.680 . 4.680 4.207 3.815 4.641 . 0 0 "[ . 1 . 2]" 1
15 1 45 TRP HE3 1 46 TYR H 4.180 . 4.180 3.702 3.348 4.178 . 0 0 "[ . 1 . 2]" 1
16 1 46 TYR H 1 46 TYR QD 3.600 . 3.600 2.999 2.642 3.133 . 0 0 "[ . 1 . 2]" 1
17 1 38 CYS HA 1 46 TYR H 5.130 . 5.130 4.988 4.730 5.218 0.088 16 0 "[ . 1 . 2]" 1
18 1 46 TYR QD 1 47 ILE H 4.080 . 4.080 3.981 3.787 4.072 . 0 0 "[ . 1 . 2]" 1
19 1 52 CYS HB3 1 56 THR H 4.820 . 4.820 4.567 4.214 4.939 0.119 14 0 "[ . 1 . 2]" 1
20 1 4 GLY H 1 5 SER H 4.150 . 4.150 2.344 1.685 3.702 0.115 10 0 "[ . 1 . 2]" 1
21 1 5 SER H 1 5 SER QB 3.690 . 3.690 2.434 2.232 2.674 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU QB 1 4 GLY H 4.320 . 4.320 2.941 1.944 4.045 . 0 0 "[ . 1 . 2]" 1
23 1 8 ILE H 1 9 VAL H 4.900 . 4.900 4.528 4.502 4.571 . 0 0 "[ . 1 . 2]" 1
24 1 9 VAL H 1 15 THR MG 4.250 . 4.250 3.507 3.196 3.854 . 0 0 "[ . 1 . 2]" 1
25 1 12 GLY H 1 13 GLY HA3 5.610 . 5.610 5.229 5.100 5.344 . 0 0 "[ . 1 . 2]" 1
26 1 29 PRO HG3 1 30 GLY H 4.970 . 4.970 4.045 3.720 4.298 . 0 0 "[ . 1 . 2]" 1
27 1 28 HIS HB3 1 31 ASN H 4.030 . 4.030 2.717 2.308 2.934 . 0 0 "[ . 1 . 2]" 1
28 1 31 ASN HB2 1 32 VAL H 4.940 . 4.940 3.843 3.240 4.594 . 0 0 "[ . 1 . 2]" 1
29 1 27 PRO HA 1 36 ILE H 4.580 . 4.580 3.732 3.568 3.821 . 0 0 "[ . 1 . 2]" 1
30 1 35 TYR HE2 1 38 CYS H 6.000 . 6.000 6.067 5.967 6.122 0.122 2 0 "[ . 1 . 2]" 1
31 1 39 SER H 1 45 TRP HA 5.230 . 5.230 4.667 4.370 4.997 . 0 0 "[ . 1 . 2]" 1
32 1 46 TYR H 1 47 ILE MG 4.580 . 4.580 3.873 3.700 4.100 . 0 0 "[ . 1 . 2]" 1
33 1 67 LEU HA 1 69 ASN H 5.330 . 5.330 5.248 5.014 5.400 0.070 9 0 "[ . 1 . 2]" 1
34 1 35 TYR HD1 1 52 CYS H 4.240 . 4.240 3.850 3.651 4.144 . 0 0 "[ . 1 . 2]" 1
35 1 22 GLU HB2 1 23 GLU H 4.050 . 4.050 3.247 2.171 4.101 0.051 3 0 "[ . 1 . 2]" 1
36 1 22 GLU QG 1 23 GLU H 4.200 . 4.200 3.796 3.324 4.237 0.037 10 0 "[ . 1 . 2]" 1
37 1 48 THR MG 1 49 VAL H 3.300 . 3.300 2.818 2.664 3.002 . 0 0 "[ . 1 . 2]" 1
38 1 57 LYS HE2 1 66 VAL H 5.720 . 5.720 5.566 5.300 5.739 0.019 10 0 "[ . 1 . 2]" 1
39 1 57 LYS HE3 1 66 VAL H 5.310 . 5.310 5.311 5.099 5.458 0.148 1 0 "[ . 1 . 2]" 1
40 1 20 CYS H 1 45 TRP QB 6.000 . 6.000 5.101 4.405 5.895 . 0 0 "[ . 1 . 2]" 1
41 1 35 TYR H 1 52 CYS H 4.310 . 4.310 4.193 4.045 4.331 0.021 11 0 "[ . 1 . 2]" 1
42 1 35 TYR HE2 1 37 ILE H 5.860 . 5.860 4.919 4.704 5.087 . 0 0 "[ . 1 . 2]" 1
43 1 35 TYR HD2 1 37 ILE H 6.000 . 6.000 4.738 4.540 4.902 . 0 0 "[ . 1 . 2]" 1
44 1 37 ILE H 1 48 THR HB 3.980 . 3.980 3.347 3.036 3.481 . 0 0 "[ . 1 . 2]" 1
45 1 37 ILE MD 1 48 THR H 4.130 . 4.130 3.869 3.718 4.007 . 0 0 "[ . 1 . 2]" 1
46 1 46 TYR H 1 46 TYR QE 5.310 . 5.310 5.080 4.873 5.206 . 0 0 "[ . 1 . 2]" 1
47 1 28 HIS HB3 1 34 LYS H 4.980 . 4.980 3.488 3.193 3.928 . 0 0 "[ . 1 . 2]" 1
48 1 28 HIS H 1 36 ILE HG13 5.660 . 5.660 5.365 4.476 5.687 0.027 1 0 "[ . 1 . 2]" 1
49 1 28 HIS H 1 36 ILE MD 5.090 . 5.090 3.773 3.493 4.575 . 0 0 "[ . 1 . 2]" 1
50 1 20 CYS HB3 1 22 GLU H 4.750 . 4.750 3.174 2.605 3.962 . 0 0 "[ . 1 . 2]" 1
51 1 17 HIS H 1 29 PRO HG2 5.070 . 5.070 4.612 4.258 5.074 0.004 9 0 "[ . 1 . 2]" 1
52 1 6 ASP H 1 7 LEU HB2 5.020 . 5.020 4.674 4.183 5.302 0.282 4 0 "[ . 1 . 2]" 1
53 1 18 VAL HB 1 19 VAL H 4.020 . 4.020 4.183 4.162 4.221 0.201 4 0 "[ . 1 . 2]" 1
54 1 7 LEU HB3 1 18 VAL H 4.440 . 4.440 3.909 3.674 4.306 . 0 0 "[ . 1 . 2]" 1
55 1 11 GLU QG 1 31 ASN H 4.160 . 4.160 4.050 3.320 4.391 0.231 14 0 "[ . 1 . 2]" 1
56 1 31 ASN HD21 1 34 LYS QE 4.500 . 4.500 3.582 3.044 4.762 0.262 18 0 "[ . 1 . 2]" 1
57 1 31 ASN HD22 1 34 LYS QE 4.500 . 4.500 2.638 1.773 4.418 0.027 15 0 "[ . 1 . 2]" 1
58 1 26 ILE H 1 36 ILE MD 4.660 . 4.660 4.209 3.958 4.671 0.011 8 0 "[ . 1 . 2]" 1
59 1 36 ILE HG12 1 50 MET H 5.710 . 5.710 5.421 4.591 5.719 0.009 5 0 "[ . 1 . 2]" 1
60 1 60 PRO HB2 1 62 SER H 5.870 . 5.870 5.553 5.306 5.773 . 0 0 "[ . 1 . 2]" 1
61 1 57 LYS QD 1 69 ASN H 4.680 . 4.680 4.222 3.566 4.781 0.101 1 0 "[ . 1 . 2]" 1
62 1 6 ASP HA 1 7 LEU H 2.930 . 2.930 2.125 2.012 2.279 . 0 0 "[ . 1 . 2]" 1
63 1 14 LYS HB3 1 15 THR H 3.240 . 3.240 2.971 2.504 3.289 0.049 18 0 "[ . 1 . 2]" 1
64 1 32 VAL H 1 32 VAL MG2 3.790 . 3.790 2.124 1.775 3.714 0.025 17 0 "[ . 1 . 2]" 1
65 1 35 TYR H 1 35 TYR HD1 3.370 . 3.370 2.492 2.336 2.689 . 0 0 "[ . 1 . 2]" 1
66 1 68 ASP H 1 68 ASP HB2 3.250 . 3.250 2.830 2.688 2.978 . 0 0 "[ . 1 . 2]" 1
67 1 11 GLU H 1 14 LYS HA 4.960 . 4.960 4.754 4.625 4.962 0.002 15 0 "[ . 1 . 2]" 1
68 1 59 ASP H 1 66 VAL H 4.820 . 4.820 4.021 3.806 4.318 . 0 0 "[ . 1 . 2]" 1
69 1 33 HIS H 1 34 LYS HB2 5.460 . 5.460 4.675 4.510 4.807 . 0 0 "[ . 1 . 2]" 1
70 1 33 HIS H 1 34 LYS QG 5.770 . 5.770 4.320 4.062 4.493 . 0 0 "[ . 1 . 2]" 1
71 1 35 TYR H 1 36 ILE H 4.480 . 4.480 4.390 4.361 4.417 . 0 0 "[ . 1 . 2]" 1
72 1 35 TYR HB3 1 36 ILE H 4.170 . 4.170 3.794 3.703 3.920 . 0 0 "[ . 1 . 2]" 1
73 1 23 GLU HA 1 38 CYS H 5.130 . 5.130 4.690 4.352 5.116 . 0 0 "[ . 1 . 2]" 1
74 1 47 ILE MG 1 48 THR H 4.120 . 4.120 3.724 3.254 3.908 . 0 0 "[ . 1 . 2]" 1
75 1 48 THR MG 1 50 MET H 4.450 . 4.450 4.082 3.918 4.463 0.013 3 0 "[ . 1 . 2]" 1
76 1 53 SER H 1 56 THR MG 4.700 . 4.700 4.402 3.975 4.806 0.106 15 0 "[ . 1 . 2]" 1
77 1 54 ILE HG13 1 55 GLY H 4.200 . 4.200 4.024 3.856 4.128 . 0 0 "[ . 1 . 2]" 1
78 1 57 LYS H 1 68 ASP HB3 4.630 . 4.630 4.257 3.772 4.652 0.022 12 0 "[ . 1 . 2]" 1
79 1 59 ASP H 1 65 CYS HA 4.020 . 4.020 3.230 3.092 3.405 . 0 0 "[ . 1 . 2]" 1
80 1 59 ASP HB3 1 64 ASN H 3.600 . 3.600 3.011 2.581 3.280 . 0 0 "[ . 1 . 2]" 1
81 1 11 GLU QG 1 31 ASN HD21 3.990 . 3.990 3.571 1.781 4.171 0.181 20 0 "[ . 1 . 2]" 1
82 1 7 LEU H 1 7 LEU HB2 3.310 . 3.310 2.852 2.604 3.134 . 0 0 "[ . 1 . 2]" 1
83 1 7 LEU HA 1 8 ILE H 2.740 . 2.740 2.206 2.149 2.278 . 0 0 "[ . 1 . 2]" 1
84 1 8 ILE H 1 8 ILE HB 3.160 . 3.160 2.703 2.564 2.879 . 0 0 "[ . 1 . 2]" 1
85 1 8 ILE H 1 8 ILE HG12 3.370 . 3.370 3.358 3.222 3.428 0.058 7 0 "[ . 1 . 2]" 1
86 1 8 ILE H 1 8 ILE HG13 3.370 . 3.370 2.253 2.067 2.406 . 0 0 "[ . 1 . 2]" 1
87 1 8 ILE HA 1 9 VAL H 2.820 . 2.820 2.249 2.181 2.300 . 0 0 "[ . 1 . 2]" 1
88 1 64 ASN HA 1 65 CYS H 2.910 . 2.910 2.560 2.520 2.617 . 0 0 "[ . 1 . 2]" 1
89 1 64 ASN HB2 1 65 CYS H 3.220 . 3.220 2.253 2.138 2.356 . 0 0 "[ . 1 . 2]" 1
90 1 9 VAL HA 1 10 HIS H 2.880 . 2.880 2.401 2.097 2.546 . 0 0 "[ . 1 . 2]" 1
91 1 10 HIS HA 1 11 GLU H 2.760 . 2.760 2.121 2.056 2.184 . 0 0 "[ . 1 . 2]" 1
92 1 65 CYS HA 1 66 VAL H 2.810 . 2.810 2.118 2.075 2.145 . 0 0 "[ . 1 . 2]" 1
93 1 14 LYS H 1 14 LYS HB2 3.220 . 3.220 2.409 2.219 2.533 . 0 0 "[ . 1 . 2]" 1
94 1 14 LYS HA 1 15 THR H 2.670 . 2.670 2.214 2.123 2.336 . 0 0 "[ . 1 . 2]" 1
95 1 15 THR H 1 15 THR HB 3.230 . 3.230 3.268 3.126 3.364 0.134 9 0 "[ . 1 . 2]" 1
96 1 16 TYR H 1 16 TYR QD 3.250 . 3.250 2.859 2.476 3.128 . 0 0 "[ . 1 . 2]" 1
97 1 39 SER HA 1 40 LYS H 2.930 . 2.930 2.213 2.140 2.286 . 0 0 "[ . 1 . 2]" 1
98 1 15 THR HA 1 16 TYR H 2.890 . 2.890 2.136 2.095 2.192 . 0 0 "[ . 1 . 2]" 1
99 1 16 TYR H 1 16 TYR HB2 3.330 . 3.330 2.520 2.391 2.655 . 0 0 "[ . 1 . 2]" 1
100 1 15 THR MG 1 16 TYR H 3.450 . 3.450 3.238 2.925 3.471 0.021 14 0 "[ . 1 . 2]" 1
101 1 16 TYR HA 1 17 HIS H 2.900 . 2.900 2.245 2.183 2.313 . 0 0 "[ . 1 . 2]" 1
102 1 17 HIS H 1 17 HIS HB2 3.150 . 3.150 2.437 2.332 2.516 . 0 0 "[ . 1 . 2]" 1
103 1 16 TYR HB3 1 17 HIS H 3.410 . 3.410 2.834 2.649 3.038 . 0 0 "[ . 1 . 2]" 1
104 1 17 HIS HA 1 18 VAL H 2.850 . 2.850 2.203 2.167 2.244 . 0 0 "[ . 1 . 2]" 1
105 1 18 VAL HA 1 19 VAL H 2.750 . 2.750 2.109 2.042 2.153 . 0 0 "[ . 1 . 2]" 1
106 1 19 VAL H 1 19 VAL HB 3.170 . 3.170 2.905 2.627 3.312 0.142 17 0 "[ . 1 . 2]" 1
107 1 19 VAL H 1 19 VAL MG1 4.110 . 4.110 3.296 2.082 3.916 . 0 0 "[ . 1 . 2]" 1
108 1 19 VAL HA 1 20 CYS H 2.660 . 2.660 2.193 2.146 2.224 . 0 0 "[ . 1 . 2]" 1
109 1 20 CYS H 1 20 CYS HB2 3.310 . 3.310 2.551 2.444 2.699 . 0 0 "[ . 1 . 2]" 1
110 1 19 VAL MG2 1 20 CYS H 4.070 . 4.070 3.514 2.364 4.091 0.021 18 0 "[ . 1 . 2]" 1
111 1 22 GLU H 1 22 GLU QG 4.030 . 4.030 2.956 2.276 3.918 . 0 0 "[ . 1 . 2]" 1
112 1 22 GLU HA 1 23 GLU H 2.790 . 2.790 2.361 2.201 2.626 . 0 0 "[ . 1 . 2]" 1
113 1 23 GLU H 1 23 GLU QG 3.790 . 3.790 2.787 2.235 3.940 0.150 2 0 "[ . 1 . 2]" 1
114 1 22 GLU HB3 1 23 GLU H 4.050 . 4.050 3.062 2.020 4.007 . 0 0 "[ . 1 . 2]" 1
115 1 23 GLU HA 1 24 GLY H 2.740 . 2.740 2.182 2.118 2.294 . 0 0 "[ . 1 . 2]" 1
116 1 25 PRO HA 1 26 ILE H 2.770 . 2.770 2.148 2.114 2.167 . 0 0 "[ . 1 . 2]" 1
117 1 26 ILE H 1 26 ILE HG13 3.030 . 3.030 2.329 2.249 2.415 . 0 0 "[ . 1 . 2]" 1
118 1 27 PRO HA 1 28 HIS H 3.190 . 3.190 2.394 2.314 2.447 . 0 0 "[ . 1 . 2]" 1
119 1 30 GLY H 1 31 ASN H 3.100 . 3.100 2.656 2.322 3.048 . 0 0 "[ . 1 . 2]" 1
120 1 32 VAL H 1 32 VAL MG1 3.790 . 3.790 2.358 1.920 3.746 . 0 0 "[ . 1 . 2]" 1
121 1 33 HIS H 1 34 LYS H 3.050 . 3.050 2.630 2.531 2.718 . 0 0 "[ . 1 . 2]" 1
122 1 33 HIS H 1 33 HIS HB3 3.710 . 3.710 3.277 2.368 3.642 . 0 0 "[ . 1 . 2]" 1
123 1 34 LYS HA 1 35 TYR H 2.990 . 2.990 2.355 2.319 2.410 . 0 0 "[ . 1 . 2]" 1
124 1 34 LYS HB3 1 35 TYR H 3.150 . 3.150 2.494 2.365 2.583 . 0 0 "[ . 1 . 2]" 1
125 1 35 TYR HB2 1 36 ILE H 3.110 . 3.110 2.367 2.233 2.556 . 0 0 "[ . 1 . 2]" 1
126 1 36 ILE H 1 36 ILE HB 3.150 . 3.150 2.851 2.776 2.938 . 0 0 "[ . 1 . 2]" 1
127 1 36 ILE HA 1 37 ILE H 2.950 . 2.950 2.188 2.158 2.215 . 0 0 "[ . 1 . 2]" 1
128 1 37 ILE H 1 37 ILE HB 3.160 . 3.160 2.581 2.534 2.659 . 0 0 "[ . 1 . 2]" 1
129 1 36 ILE MG 1 37 ILE H 3.200 . 3.200 2.353 2.306 2.438 . 0 0 "[ . 1 . 2]" 1
130 1 37 ILE HA 1 38 CYS H 2.760 . 2.760 2.166 2.143 2.196 . 0 0 "[ . 1 . 2]" 1
131 1 38 CYS H 1 38 CYS HB2 3.770 . 3.770 2.533 2.438 2.622 . 0 0 "[ . 1 . 2]" 1
132 1 37 ILE MG 1 38 CYS H 3.310 . 3.310 2.882 2.758 3.002 . 0 0 "[ . 1 . 2]" 1
133 1 38 CYS HA 1 39 SER H 2.750 . 2.750 2.128 2.083 2.164 . 0 0 "[ . 1 . 2]" 1
134 1 40 LYS HA 1 41 SER H 2.600 . 2.600 2.134 2.074 2.190 . 0 0 "[ . 1 . 2]" 1
135 1 41 SER HA 1 42 GLY H 3.120 . 3.120 2.233 2.072 2.358 . 0 0 "[ . 1 . 2]" 1
136 1 43 SER H 1 44 LEU H 3.320 . 3.320 2.207 2.036 2.420 . 0 0 "[ . 1 . 2]" 1
137 1 44 LEU H 1 44 LEU HB2 3.260 . 3.260 2.725 2.356 3.059 . 0 0 "[ . 1 . 2]" 1
138 1 44 LEU H 1 44 LEU HB3 3.260 . 3.260 2.979 2.568 3.576 0.316 15 0 "[ . 1 . 2]" 1
139 1 44 LEU HA 1 45 TRP H 2.690 . 2.690 2.183 2.139 2.250 . 0 0 "[ . 1 . 2]" 1
140 1 45 TRP H 1 45 TRP QB 2.950 . 2.950 2.331 2.282 2.395 . 0 0 "[ . 1 . 2]" 1
141 1 45 TRP HA 1 46 TYR H 2.780 . 2.780 2.129 2.110 2.163 . 0 0 "[ . 1 . 2]" 1
142 1 46 TYR H 1 46 TYR QB 3.040 . 3.040 2.484 2.373 2.596 . 0 0 "[ . 1 . 2]" 1
143 1 46 TYR HA 1 47 ILE H 2.890 . 2.890 2.130 2.089 2.181 . 0 0 "[ . 1 . 2]" 1
144 1 46 TYR QB 1 47 ILE H 3.080 . 3.080 3.158 2.956 3.242 0.162 6 0 "[ . 1 . 2]" 1
145 1 37 ILE H 1 48 THR H 3.260 . 3.260 2.627 2.560 2.698 . 0 0 "[ . 1 . 2]" 1
146 1 47 ILE HA 1 48 THR H 2.730 . 2.730 2.246 2.188 2.319 . 0 0 "[ . 1 . 2]" 1
147 1 47 ILE HB 1 48 THR H 3.230 . 3.230 2.712 2.534 2.915 . 0 0 "[ . 1 . 2]" 1
148 1 48 THR HA 1 49 VAL H 2.700 . 2.700 2.210 2.193 2.239 . 0 0 "[ . 1 . 2]" 1
149 1 49 VAL H 1 49 VAL HB 3.070 . 3.070 2.989 2.912 3.030 . 0 0 "[ . 1 . 2]" 1
150 1 35 TYR H 1 50 MET H 3.840 . 3.840 3.364 3.142 3.496 . 0 0 "[ . 1 . 2]" 1
151 1 49 VAL HA 1 50 MET H 2.760 . 2.760 2.073 2.055 2.093 . 0 0 "[ . 1 . 2]" 1
152 1 37 ILE MD 1 50 MET H 3.370 . 3.370 3.064 2.973 3.379 0.009 3 0 "[ . 1 . 2]" 1
153 1 49 VAL MG2 1 50 MET H 3.650 . 3.650 2.997 2.699 3.166 . 0 0 "[ . 1 . 2]" 1
154 1 34 LYS HA 1 52 CYS H 3.230 . 3.230 2.374 2.225 2.507 . 0 0 "[ . 1 . 2]" 1
155 1 51 PRO HA 1 52 CYS H 2.970 . 2.970 2.214 2.175 2.242 . 0 0 "[ . 1 . 2]" 1
156 1 52 CYS H 1 52 CYS HB2 3.230 . 3.230 2.433 2.261 2.627 . 0 0 "[ . 1 . 2]" 1
157 1 52 CYS HA 1 53 SER H 2.920 . 2.920 2.506 2.355 2.663 . 0 0 "[ . 1 . 2]" 1
158 1 53 SER HA 1 54 ILE H 2.700 . 2.700 2.238 2.184 2.304 . 0 0 "[ . 1 . 2]" 1
159 1 54 ILE H 1 54 ILE HB 2.900 . 2.900 2.400 2.359 2.450 . 0 0 "[ . 1 . 2]" 1
160 1 54 ILE H 1 54 ILE MD 3.360 . 3.360 1.895 1.834 1.943 . 0 0 "[ . 1 . 2]" 1
161 1 54 ILE HA 1 55 GLY H 2.620 . 2.620 2.156 2.102 2.229 . 0 0 "[ . 1 . 2]" 1
162 1 55 GLY H 1 56 THR H 3.090 . 3.090 2.604 2.399 2.807 . 0 0 "[ . 1 . 2]" 1
163 1 56 THR H 1 56 THR MG 3.240 . 3.240 2.818 2.609 3.045 . 0 0 "[ . 1 . 2]" 1
164 1 56 THR HA 1 57 LYS H 2.990 . 2.990 2.354 2.240 2.440 . 0 0 "[ . 1 . 2]" 1
165 1 56 THR HB 1 57 LYS H 3.120 . 3.120 2.488 2.313 2.697 . 0 0 "[ . 1 . 2]" 1
166 1 57 LYS HA 1 58 PHE H 3.160 . 3.160 2.271 2.236 2.306 . 0 0 "[ . 1 . 2]" 1
167 1 58 PHE H 1 58 PHE HB3 3.280 . 3.280 2.636 2.583 2.685 . 0 0 "[ . 1 . 2]" 1
168 1 58 PHE H 1 58 PHE HB2 3.260 . 3.260 2.506 2.440 2.563 . 0 0 "[ . 1 . 2]" 1
169 1 58 PHE HA 1 59 ASP H 2.810 . 2.810 2.157 2.128 2.182 . 0 0 "[ . 1 . 2]" 1
170 1 59 ASP H 1 59 ASP HB3 3.400 . 3.400 2.552 2.514 2.589 . 0 0 "[ . 1 . 2]" 1
171 1 59 ASP H 1 59 ASP HB2 3.250 . 3.250 2.867 2.725 2.983 . 0 0 "[ . 1 . 2]" 1
172 1 61 ILE H 1 61 ILE HB 2.870 . 2.870 2.492 2.311 2.595 . 0 0 "[ . 1 . 2]" 1
173 1 60 PRO QG 1 61 ILE H 3.300 . 3.300 2.239 2.116 2.460 . 0 0 "[ . 1 . 2]" 1
174 1 61 ILE H 1 61 ILE HG12 4.140 . 4.140 2.840 2.103 4.073 . 0 0 "[ . 1 . 2]" 1
175 1 61 ILE H 1 61 ILE MD 3.400 . 3.400 2.730 2.121 3.213 . 0 0 "[ . 1 . 2]" 1
176 1 61 ILE HB 1 62 SER H 2.970 . 2.970 2.498 2.322 2.660 . 0 0 "[ . 1 . 2]" 1
177 1 61 ILE MG 1 62 SER H 3.590 . 3.590 3.214 2.802 3.448 . 0 0 "[ . 1 . 2]" 1
178 1 63 ARG H 1 63 ARG HA 2.710 . 2.710 2.256 2.229 2.275 . 0 0 "[ . 1 . 2]" 1
179 1 63 ARG H 1 64 ASN H 3.020 . 3.020 2.596 2.491 2.791 . 0 0 "[ . 1 . 2]" 1
180 1 63 ARG HA 1 64 ASN H 3.060 . 3.060 2.630 2.412 2.752 . 0 0 "[ . 1 . 2]" 1
181 1 64 ASN H 1 64 ASN HB3 3.410 . 3.410 3.400 3.305 3.478 0.068 7 0 "[ . 1 . 2]" 1
182 1 66 VAL HA 1 67 LEU H 2.810 . 2.810 2.402 2.331 2.461 . 0 0 "[ . 1 . 2]" 1
183 1 66 VAL HB 1 67 LEU H 2.940 . 2.940 2.442 2.268 2.574 . 0 0 "[ . 1 . 2]" 1
184 1 66 VAL MG2 1 67 LEU H 3.560 . 3.560 3.402 3.285 3.519 . 0 0 "[ . 1 . 2]" 1
185 1 56 THR HA 1 68 ASP H 2.990 . 2.990 2.036 1.795 2.528 0.005 20 0 "[ . 1 . 2]" 1
186 1 67 LEU HA 1 68 ASP H 2.610 . 2.610 2.128 2.097 2.165 . 0 0 "[ . 1 . 2]" 1
187 1 68 ASP H 1 68 ASP HB3 3.250 . 3.250 2.414 2.304 2.550 . 0 0 "[ . 1 . 2]" 1
188 1 56 THR MG 1 68 ASP H 4.180 . 4.180 3.287 2.966 3.709 . 0 0 "[ . 1 . 2]" 1
189 1 67 LEU MD1 1 68 ASP H 4.800 . 4.800 2.888 2.103 4.843 0.043 11 0 "[ . 1 . 2]" 1
190 1 67 LEU MD2 1 68 ASP H 4.800 . 4.800 3.656 2.273 4.787 . 0 0 "[ . 1 . 2]" 1
191 1 68 ASP HA 1 69 ASN H 2.740 . 2.740 2.189 2.124 2.392 . 0 0 "[ . 1 . 2]" 1
192 1 4 GLY H 1 6 ASP H 4.500 . 4.500 3.503 2.358 4.742 0.242 19 0 "[ . 1 . 2]" 1
193 1 6 ASP H 1 7 LEU H 4.140 . 4.140 3.811 3.425 4.155 0.015 4 0 "[ . 1 . 2]" 1
194 1 7 LEU H 1 8 ILE H 4.660 . 4.660 4.467 4.326 4.573 . 0 0 "[ . 1 . 2]" 1
195 1 7 LEU H 1 19 VAL HA 4.780 . 4.780 3.928 3.636 4.425 . 0 0 "[ . 1 . 2]" 1
196 1 7 LEU H 1 7 LEU HB3 3.910 . 3.910 2.593 2.474 2.759 . 0 0 "[ . 1 . 2]" 1
197 1 7 LEU H 1 7 LEU MD1 5.030 . 5.030 4.244 4.063 4.409 . 0 0 "[ . 1 . 2]" 1
198 1 7 LEU H 1 7 LEU MD2 5.030 . 5.030 4.333 4.122 4.605 . 0 0 "[ . 1 . 2]" 1
199 1 7 LEU HB2 1 8 ILE H 4.570 . 4.570 4.206 3.950 4.367 . 0 0 "[ . 1 . 2]" 1
200 1 7 LEU HG 1 8 ILE H 4.670 . 4.670 3.524 2.229 4.728 0.058 8 0 "[ . 1 . 2]" 1
201 1 8 ILE H 1 8 ILE MG 4.000 . 4.000 3.818 3.778 3.891 . 0 0 "[ . 1 . 2]" 1
202 1 65 CYS H 1 66 VAL H 4.570 . 4.570 4.414 4.393 4.457 . 0 0 "[ . 1 . 2]" 1
203 1 56 THR HB 1 65 CYS H 5.880 . 5.880 5.493 5.140 5.787 . 0 0 "[ . 1 . 2]" 1
204 1 9 VAL H 1 15 THR HB 5.000 . 5.000 4.841 4.476 5.054 0.054 18 0 "[ . 1 . 2]" 1
205 1 9 VAL H 1 9 VAL HB 3.960 . 3.960 3.831 3.791 3.887 . 0 0 "[ . 1 . 2]" 1
206 1 8 ILE HB 1 9 VAL H 3.770 . 3.770 3.740 3.567 3.874 0.104 18 0 "[ . 1 . 2]" 1
207 1 40 LYS HB3 1 41 SER H 4.660 . 4.660 4.262 3.133 4.428 . 0 0 "[ . 1 . 2]" 1
208 1 9 VAL H 1 9 VAL QG 3.490 . 3.490 2.171 2.078 2.264 . 0 0 "[ . 1 . 2]" 1
209 1 8 ILE MG 1 9 VAL H 3.500 . 3.500 2.144 1.986 2.263 . 0 0 "[ . 1 . 2]" 1
210 1 10 HIS H 1 10 HIS HD2 4.680 . 4.680 2.995 2.166 4.272 . 0 0 "[ . 1 . 2]" 1
211 1 10 HIS H 1 10 HIS HB2 3.920 . 3.920 2.815 2.370 3.897 . 0 0 "[ . 1 . 2]" 1
212 1 10 HIS H 1 10 HIS HB3 3.920 . 3.920 3.612 2.698 3.783 . 0 0 "[ . 1 . 2]" 1
213 1 9 VAL HB 1 10 HIS H 3.720 . 3.720 2.343 2.051 3.181 . 0 0 "[ . 1 . 2]" 1
214 1 9 VAL QG 1 10 HIS H 4.160 . 4.160 3.102 2.933 3.463 . 0 0 "[ . 1 . 2]" 1
215 1 36 ILE H 1 37 ILE H 4.890 . 4.890 4.350 4.317 4.364 . 0 0 "[ . 1 . 2]" 1
216 1 37 ILE H 1 50 MET H 5.250 . 5.250 4.113 3.971 4.350 . 0 0 "[ . 1 . 2]" 1
217 1 11 GLU H 1 14 LYS H 4.170 . 4.170 3.354 3.085 3.564 . 0 0 "[ . 1 . 2]" 1
218 1 11 GLU H 1 16 TYR QD 4.080 . 4.080 2.645 2.297 2.963 . 0 0 "[ . 1 . 2]" 1
219 1 11 GLU H 1 16 TYR QE 4.550 . 4.550 3.629 2.979 4.203 . 0 0 "[ . 1 . 2]" 1
220 1 11 GLU H 1 11 GLU HB2 3.940 . 3.940 2.617 2.408 3.063 . 0 0 "[ . 1 . 2]" 1
221 1 11 GLU H 1 11 GLU QG 4.430 . 4.430 3.214 2.576 4.347 . 0 0 "[ . 1 . 2]" 1
222 1 11 GLU H 1 11 GLU HB3 3.940 . 3.940 3.546 2.815 3.796 . 0 0 "[ . 1 . 2]" 1
223 1 11 GLU H 1 15 THR MG 4.690 . 4.690 4.822 4.708 4.910 0.220 7 0 "[ . 1 . 2]" 1
224 1 40 LYS HA 1 46 TYR H 3.830 . 3.830 3.261 2.921 3.705 . 0 0 "[ . 1 . 2]" 1
225 1 58 PHE HA 1 66 VAL H 3.700 . 3.700 3.362 3.148 3.615 . 0 0 "[ . 1 . 2]" 1
226 1 56 THR HB 1 66 VAL H 3.740 . 3.740 3.404 3.176 3.627 . 0 0 "[ . 1 . 2]" 1
227 1 65 CYS QB 1 66 VAL H 3.910 . 3.910 3.195 3.111 3.233 . 0 0 "[ . 1 . 2]" 1
228 1 66 VAL H 1 66 VAL HB 4.150 . 4.150 3.754 3.715 3.811 . 0 0 "[ . 1 . 2]" 1
229 1 13 GLY H 1 14 LYS H 3.450 . 3.450 2.674 1.999 3.075 . 0 0 "[ . 1 . 2]" 1
230 1 14 LYS H 1 16 TYR QE 4.480 . 4.480 3.877 3.453 4.221 . 0 0 "[ . 1 . 2]" 1
231 1 10 HIS HA 1 14 LYS H 5.700 . 5.700 4.444 4.165 4.727 . 0 0 "[ . 1 . 2]" 1
232 1 12 GLY QA 1 14 LYS H 4.100 . 4.100 3.450 3.308 3.721 . 0 0 "[ . 1 . 2]" 1
233 1 14 LYS H 1 14 LYS QD 4.480 . 4.480 3.633 2.486 4.546 0.066 9 0 "[ . 1 . 2]" 1
234 1 15 THR H 1 16 TYR H 4.510 . 4.510 4.408 4.164 4.524 0.014 13 0 "[ . 1 . 2]" 1
235 1 14 LYS H 1 15 THR H 4.730 . 4.730 4.525 4.411 4.620 . 0 0 "[ . 1 . 2]" 1
236 1 14 LYS HB2 1 15 THR H 4.160 . 4.160 4.049 3.776 4.204 0.044 17 0 "[ . 1 . 2]" 1
237 1 14 LYS QD 1 15 THR H 4.160 . 4.160 3.674 3.160 4.362 0.202 20 0 "[ . 1 . 2]" 1
238 1 15 THR H 1 15 THR MG 3.930 . 3.930 3.332 3.181 3.676 . 0 0 "[ . 1 . 2]" 1
239 1 9 VAL H 1 16 TYR H 3.460 . 3.460 2.756 2.468 3.106 . 0 0 "[ . 1 . 2]" 1
240 1 16 TYR H 1 17 HIS HD2 5.110 . 5.110 4.988 4.633 5.152 0.042 19 0 "[ . 1 . 2]" 1
241 1 16 TYR H 1 16 TYR QE 5.230 . 5.230 4.991 4.584 5.171 . 0 0 "[ . 1 . 2]" 1
242 1 9 VAL HA 1 16 TYR H 5.420 . 5.420 4.722 4.617 4.951 . 0 0 "[ . 1 . 2]" 1
243 1 23 GLU HA 1 40 LYS H 5.820 . 5.820 4.583 4.085 4.962 . 0 0 "[ . 1 . 2]" 1
244 1 15 THR HB 1 16 TYR H 4.230 . 4.230 3.625 3.310 3.996 . 0 0 "[ . 1 . 2]" 1
245 1 39 SER HB2 1 40 LYS H 4.220 . 4.220 3.824 2.789 4.218 . 0 0 "[ . 1 . 2]" 1
246 1 39 SER HB3 1 40 LYS H 4.220 . 4.220 3.501 2.828 4.028 . 0 0 "[ . 1 . 2]" 1
247 1 23 GLU QG 1 40 LYS H 4.300 . 4.300 2.753 2.184 3.760 . 0 0 "[ . 1 . 2]" 1
248 1 40 LYS H 1 40 LYS HB2 3.510 . 3.510 2.902 2.255 3.134 . 0 0 "[ . 1 . 2]" 1
249 1 40 LYS H 1 40 LYS HB3 3.510 . 3.510 2.623 2.390 3.455 . 0 0 "[ . 1 . 2]" 1
250 1 9 VAL QG 1 16 TYR H 4.140 . 4.140 2.854 2.586 3.120 . 0 0 "[ . 1 . 2]" 1
251 1 17 HIS H 1 17 HIS HD2 3.730 . 3.730 2.730 2.546 2.959 . 0 0 "[ . 1 . 2]" 1
252 1 16 TYR QD 1 17 HIS H 4.080 . 4.080 3.789 3.565 4.061 . 0 0 "[ . 1 . 2]" 1
253 1 16 TYR HB2 1 17 HIS H 4.300 . 4.300 3.991 3.885 4.131 . 0 0 "[ . 1 . 2]" 1
254 1 15 THR MG 1 17 HIS H 5.930 . 5.930 5.998 5.870 6.073 0.143 14 0 "[ . 1 . 2]" 1
255 1 8 ILE MD 1 17 HIS H 6.000 . 6.000 5.955 5.660 6.135 0.135 10 0 "[ . 1 . 2]" 1
256 1 9 VAL QG 1 17 HIS H 5.350 . 5.350 4.448 4.188 4.867 . 0 0 "[ . 1 . 2]" 1
257 1 17 HIS H 1 18 VAL H 4.700 . 4.700 4.507 4.462 4.536 . 0 0 "[ . 1 . 2]" 1
258 1 18 VAL H 1 19 VAL H 4.840 . 4.840 4.217 4.100 4.322 . 0 0 "[ . 1 . 2]" 1
259 1 17 HIS HB3 1 18 VAL H 3.960 . 3.960 2.940 2.784 3.120 . 0 0 "[ . 1 . 2]" 1
260 1 18 VAL H 1 18 VAL HB 3.510 . 3.510 2.622 2.543 2.690 . 0 0 "[ . 1 . 2]" 1
261 1 19 VAL H 1 19 VAL MG2 4.110 . 4.110 3.178 2.630 3.965 . 0 0 "[ . 1 . 2]" 1
262 1 19 VAL HB 1 20 CYS H 4.240 . 4.240 4.104 3.966 4.193 . 0 0 "[ . 1 . 2]" 1
263 1 22 GLU H 1 23 GLU H 4.630 . 4.630 4.354 4.271 4.380 . 0 0 "[ . 1 . 2]" 1
264 1 20 CYS HA 1 22 GLU H 4.280 . 4.280 3.488 3.277 3.798 . 0 0 "[ . 1 . 2]" 1
265 1 21 HIS HB2 1 22 GLU H 4.230 . 4.230 3.545 2.859 4.295 0.065 4 0 "[ . 1 . 2]" 1
266 1 21 HIS HB3 1 22 GLU H 4.230 . 4.230 3.679 2.978 4.261 0.031 4 0 "[ . 1 . 2]" 1
267 1 23 GLU H 1 24 GLY H 4.610 . 4.610 4.464 4.241 4.589 . 0 0 "[ . 1 . 2]" 1
268 1 23 GLU H 1 45 TRP HH2 3.490 . 3.490 3.099 2.616 3.374 . 0 0 "[ . 1 . 2]" 1
269 1 24 GLY H 1 38 CYS HB2 3.820 . 3.820 2.352 1.794 2.985 0.006 5 0 "[ . 1 . 2]" 1
270 1 24 GLY H 1 38 CYS HB3 3.820 . 3.820 3.741 3.321 3.962 0.142 4 0 "[ . 1 . 2]" 1
271 1 23 GLU QG 1 24 GLY H 4.380 . 4.380 3.873 2.345 4.338 . 0 0 "[ . 1 . 2]" 1
272 1 24 GLY H 1 37 ILE MG 4.510 . 4.510 4.261 3.781 4.592 0.082 5 0 "[ . 1 . 2]" 1
273 1 26 ILE H 1 35 TYR HD2 3.990 . 3.990 3.100 2.953 3.228 . 0 0 "[ . 1 . 2]" 1
274 1 26 ILE H 1 37 ILE HA 3.720 . 3.720 3.631 3.539 3.724 0.004 16 0 "[ . 1 . 2]" 1
275 1 25 PRO QD 1 26 ILE H 5.400 . 5.400 4.907 4.776 4.979 . 0 0 "[ . 1 . 2]" 1
276 1 26 ILE H 1 27 PRO HD2 5.720 . 5.720 4.817 4.792 4.863 . 0 0 "[ . 1 . 2]" 1
277 1 25 PRO HB3 1 26 ILE H 4.000 . 4.000 3.966 3.871 4.023 0.023 5 0 "[ . 1 . 2]" 1
278 1 26 ILE H 1 26 ILE HB 4.130 . 4.130 3.767 3.747 3.791 . 0 0 "[ . 1 . 2]" 1
279 1 25 PRO HB2 1 26 ILE H 3.850 . 3.850 3.387 3.214 3.540 . 0 0 "[ . 1 . 2]" 1
280 1 26 ILE H 1 37 ILE HG13 4.960 . 4.960 4.888 4.819 4.973 0.013 9 0 "[ . 1 . 2]" 1
281 1 26 ILE H 1 26 ILE HG12 4.150 . 4.150 3.891 3.839 3.942 . 0 0 "[ . 1 . 2]" 1
282 1 26 ILE H 1 37 ILE MG 5.320 . 5.320 5.329 5.250 5.389 0.069 9 0 "[ . 1 . 2]" 1
283 1 26 ILE H 1 26 ILE MD 3.650 . 3.650 2.440 2.276 2.533 . 0 0 "[ . 1 . 2]" 1
284 1 28 HIS H 1 28 HIS HB3 3.760 . 3.760 2.665 2.486 2.847 . 0 0 "[ . 1 . 2]" 1
285 1 27 PRO HB3 1 28 HIS H 4.120 . 4.120 3.407 3.367 3.464 . 0 0 "[ . 1 . 2]" 1
286 1 28 HIS H 1 28 HIS HB2 3.710 . 3.710 2.508 2.347 2.702 . 0 0 "[ . 1 . 2]" 1
287 1 31 ASN H 1 32 VAL H 4.590 . 4.590 3.823 3.243 4.196 . 0 0 "[ . 1 . 2]" 1
288 1 31 ASN H 1 34 LYS H 5.030 . 5.030 4.949 4.548 5.151 0.121 6 0 "[ . 1 . 2]" 1
289 1 32 VAL H 1 32 VAL HB 3.750 . 3.750 3.426 2.340 3.643 . 0 0 "[ . 1 . 2]" 1
290 1 31 ASN HB3 1 32 VAL H 4.940 . 4.940 4.271 3.751 4.475 . 0 0 "[ . 1 . 2]" 1
291 1 32 VAL H 1 33 HIS H 3.430 . 3.430 2.911 2.840 2.970 . 0 0 "[ . 1 . 2]" 1
292 1 33 HIS H 1 33 HIS HB2 3.710 . 3.710 2.497 2.323 2.695 . 0 0 "[ . 1 . 2]" 1
293 1 32 VAL HB 1 33 HIS H 4.480 . 4.480 4.026 3.257 4.238 . 0 0 "[ . 1 . 2]" 1
294 1 31 ASN HB2 1 33 HIS H 5.000 . 5.000 2.941 2.461 4.655 . 0 0 "[ . 1 . 2]" 1
295 1 31 ASN HB3 1 33 HIS H 5.000 . 5.000 4.115 2.584 4.444 . 0 0 "[ . 1 . 2]" 1
296 1 32 VAL MG1 1 33 HIS H 4.340 . 4.340 4.107 2.772 4.268 . 0 0 "[ . 1 . 2]" 1
297 1 32 VAL MG2 1 33 HIS H 4.340 . 4.340 3.026 2.705 4.114 . 0 0 "[ . 1 . 2]" 1
298 1 34 LYS H 1 35 TYR H 4.500 . 4.500 4.358 4.316 4.391 . 0 0 "[ . 1 . 2]" 1
299 1 32 VAL H 1 34 LYS H 4.870 . 4.870 4.420 4.332 4.550 . 0 0 "[ . 1 . 2]" 1
300 1 32 VAL HA 1 34 LYS H 3.970 . 3.970 3.162 3.032 3.320 . 0 0 "[ . 1 . 2]" 1
301 1 34 LYS H 1 34 LYS QD 4.960 . 4.960 4.940 4.540 5.052 0.092 8 0 "[ . 1 . 2]" 1
302 1 34 LYS H 1 34 LYS HB2 3.770 . 3.770 2.741 2.652 2.817 . 0 0 "[ . 1 . 2]" 1
303 1 34 LYS H 1 34 LYS QG 4.350 . 4.350 3.232 3.045 3.397 . 0 0 "[ . 1 . 2]" 1
304 1 35 TYR H 1 51 PRO HA 3.850 . 3.850 3.251 3.095 3.367 . 0 0 "[ . 1 . 2]" 1
305 1 35 TYR H 1 49 VAL HA 4.860 . 4.860 4.504 4.359 4.623 . 0 0 "[ . 1 . 2]" 1
306 1 35 TYR H 1 35 TYR HB3 4.060 . 4.060 3.195 3.135 3.228 . 0 0 "[ . 1 . 2]" 1
307 1 34 LYS QD 1 35 TYR H 4.100 . 4.100 4.224 4.043 4.414 0.314 13 0 "[ . 1 . 2]" 1
308 1 34 LYS HB2 1 35 TYR H 4.150 . 4.150 3.694 3.599 3.868 . 0 0 "[ . 1 . 2]" 1
309 1 34 LYS QG 1 35 TYR H 4.520 . 4.520 3.890 3.712 3.995 . 0 0 "[ . 1 . 2]" 1
310 1 35 TYR H 1 49 VAL MG2 3.580 . 3.580 3.330 3.189 3.478 . 0 0 "[ . 1 . 2]" 1
311 1 35 TYR H 1 50 MET HB2 4.900 . 4.900 4.191 4.104 4.287 . 0 0 "[ . 1 . 2]" 1
312 1 26 ILE H 1 36 ILE H 3.540 . 3.540 2.862 2.739 3.029 . 0 0 "[ . 1 . 2]" 1
313 1 35 TYR HD2 1 36 ILE H 3.520 . 3.520 2.995 2.797 3.283 . 0 0 "[ . 1 . 2]" 1
314 1 36 ILE H 1 37 ILE HA 5.000 . 5.000 4.758 4.704 4.816 . 0 0 "[ . 1 . 2]" 1
315 1 26 ILE HB 1 36 ILE H 5.400 . 5.400 4.956 4.868 5.037 . 0 0 "[ . 1 . 2]" 1
316 1 28 HIS HB2 1 36 ILE H 5.800 . 5.800 4.768 4.436 5.004 . 0 0 "[ . 1 . 2]" 1
317 1 36 ILE H 1 36 ILE HG13 3.720 . 3.720 3.174 2.580 3.468 . 0 0 "[ . 1 . 2]" 1
318 1 36 ILE H 1 37 ILE MD 4.810 . 4.810 4.380 4.245 4.470 . 0 0 "[ . 1 . 2]" 1
319 1 36 ILE H 1 49 VAL MG2 5.210 . 5.210 4.569 4.492 4.696 . 0 0 "[ . 1 . 2]" 1
320 1 26 ILE MD 1 36 ILE H 3.660 . 3.660 2.702 2.535 2.829 . 0 0 "[ . 1 . 2]" 1
321 1 36 ILE H 1 36 ILE MD 4.010 . 4.010 2.478 2.128 3.502 . 0 0 "[ . 1 . 2]" 1
322 1 26 ILE H 1 37 ILE H 5.020 . 5.020 5.022 4.966 5.057 0.037 16 0 "[ . 1 . 2]" 1
323 1 37 ILE H 1 38 CYS H 4.550 . 4.550 4.337 4.262 4.428 . 0 0 "[ . 1 . 2]" 1
324 1 37 ILE H 1 47 ILE HA 4.470 . 4.470 4.429 4.317 4.526 0.056 2 0 "[ . 1 . 2]" 1
325 1 37 ILE H 1 48 THR HA 4.560 . 4.560 4.583 4.535 4.610 0.050 12 0 "[ . 1 . 2]" 1
326 1 37 ILE H 1 49 VAL HA 3.610 . 3.610 3.525 3.445 3.598 . 0 0 "[ . 1 . 2]" 1
327 1 37 ILE H 1 49 VAL HB 5.520 . 5.520 5.281 5.201 5.348 . 0 0 "[ . 1 . 2]" 1
328 1 37 ILE H 1 50 MET HG3 6.000 . 6.000 5.073 4.919 5.159 . 0 0 "[ . 1 . 2]" 1
329 1 37 ILE H 1 37 ILE HG13 3.560 . 3.560 3.475 3.385 3.537 . 0 0 "[ . 1 . 2]" 1
330 1 36 ILE HB 1 37 ILE H 4.260 . 4.260 3.823 3.728 3.909 . 0 0 "[ . 1 . 2]" 1
331 1 37 ILE H 1 48 THR MG 4.810 . 4.810 4.314 4.156 4.431 . 0 0 "[ . 1 . 2]" 1
332 1 37 ILE H 1 37 ILE MD 3.520 . 3.520 2.032 1.949 2.100 . 0 0 "[ . 1 . 2]" 1
333 1 37 ILE H 1 37 ILE MG 4.010 . 4.010 3.821 3.794 3.856 . 0 0 "[ . 1 . 2]" 1
334 1 36 ILE MD 1 37 ILE H 5.110 . 5.110 5.022 4.976 5.150 0.040 17 0 "[ . 1 . 2]" 1
335 1 26 ILE H 1 38 CYS H 4.920 . 4.920 4.237 4.034 4.464 . 0 0 "[ . 1 . 2]" 1
336 1 38 CYS H 1 39 SER H 4.480 . 4.480 4.362 4.304 4.405 . 0 0 "[ . 1 . 2]" 1
337 1 24 GLY H 1 38 CYS H 3.500 . 3.500 3.080 2.785 3.377 . 0 0 "[ . 1 . 2]" 1
338 1 25 PRO HA 1 38 CYS H 3.640 . 3.640 2.836 2.502 3.110 . 0 0 "[ . 1 . 2]" 1
339 1 25 PRO QD 1 38 CYS H 4.540 . 4.540 4.409 4.047 4.573 0.033 16 0 "[ . 1 . 2]" 1
340 1 38 CYS H 1 38 CYS HB3 3.770 . 3.770 3.655 3.634 3.685 . 0 0 "[ . 1 . 2]" 1
341 1 25 PRO HB3 1 38 CYS H 4.760 . 4.760 4.337 3.981 4.585 . 0 0 "[ . 1 . 2]" 1
342 1 37 ILE HB 1 38 CYS H 4.570 . 4.570 4.275 4.216 4.344 . 0 0 "[ . 1 . 2]" 1
343 1 37 ILE HG13 1 38 CYS H 4.800 . 4.800 4.507 4.431 4.583 . 0 0 "[ . 1 . 2]" 1
344 1 36 ILE HB 1 38 CYS H 5.530 . 5.530 4.965 4.745 5.237 . 0 0 "[ . 1 . 2]" 1
345 1 26 ILE HG13 1 38 CYS H 4.520 . 4.520 4.241 4.094 4.394 . 0 0 "[ . 1 . 2]" 1
346 1 36 ILE MG 1 38 CYS H 4.720 . 4.720 4.188 3.988 4.376 . 0 0 "[ . 1 . 2]" 1
347 1 39 SER H 1 40 LYS H 4.560 . 4.560 4.364 4.305 4.399 . 0 0 "[ . 1 . 2]" 1
348 1 39 SER H 1 47 ILE HA 4.000 . 4.000 3.273 3.101 3.532 . 0 0 "[ . 1 . 2]" 1
349 1 20 CYS HB3 1 39 SER H 6.000 . 6.000 5.536 5.024 6.119 0.119 5 0 "[ . 1 . 2]" 1
350 1 39 SER H 1 47 ILE MG 4.150 . 4.150 3.137 2.809 3.702 . 0 0 "[ . 1 . 2]" 1
351 1 41 SER H 1 46 TYR H 4.440 . 4.440 3.696 3.460 4.251 . 0 0 "[ . 1 . 2]" 1
352 1 41 SER H 1 45 TRP HA 3.970 . 3.970 3.094 2.846 3.529 . 0 0 "[ . 1 . 2]" 1
353 1 41 SER H 1 41 SER QB . . 3.710 2.374 2.247 2.541 . 0 0 "[ . 1 . 2]" 1
354 1 40 LYS HB2 1 41 SER H 4.660 . 4.660 4.368 4.043 4.489 . 0 0 "[ . 1 . 2]" 1
355 1 41 SER H 1 42 GLY H 4.920 . 4.920 3.816 3.493 4.128 . 0 0 "[ . 1 . 2]" 1
356 1 43 SER H 1 44 LEU HB2 5.060 . 5.060 3.859 3.530 4.297 . 0 0 "[ . 1 . 2]" 1
357 1 43 SER H 1 44 LEU HB3 5.060 . 5.060 4.582 4.036 5.270 0.210 5 0 "[ . 1 . 2]" 1
358 1 42 GLY H 1 44 LEU H 4.710 . 4.710 4.296 4.139 4.478 . 0 0 "[ . 1 . 2]" 1
359 1 41 SER H 1 44 LEU H 3.870 . 3.870 3.491 2.969 3.753 . 0 0 "[ . 1 . 2]" 1
360 1 43 SER QB 1 44 LEU H 3.830 . 3.830 3.613 3.442 3.967 0.137 13 0 "[ . 1 . 2]" 1
361 1 41 SER QB 1 44 LEU H 5.060 . 5.060 3.595 3.462 3.811 . 0 0 "[ . 1 . 2]" 1
362 1 45 TRP H 1 45 TRP HE1 5.620 . 5.620 5.201 4.973 5.430 . 0 0 "[ . 1 . 2]" 1
363 1 45 TRP H 1 46 TYR H 4.810 . 4.810 4.474 4.445 4.516 . 0 0 "[ . 1 . 2]" 1
364 1 44 LEU H 1 45 TRP H 4.830 . 4.830 4.367 4.284 4.465 . 0 0 "[ . 1 . 2]" 1
365 1 45 TRP H 1 45 TRP HD1 3.740 . 3.740 2.834 2.623 3.087 . 0 0 "[ . 1 . 2]" 1
366 1 41 SER QB 1 46 TYR H 4.740 . 4.740 4.586 4.144 4.723 . 0 0 "[ . 1 . 2]" 1
367 1 46 TYR H 1 47 ILE H 4.570 . 4.570 4.306 4.230 4.422 . 0 0 "[ . 1 . 2]" 1
368 1 47 ILE H 1 47 ILE MG 3.520 . 3.520 2.875 2.679 3.358 . 0 0 "[ . 1 . 2]" 1
369 1 47 ILE H 1 47 ILE MD 3.970 . 3.970 3.377 2.283 3.732 . 0 0 "[ . 1 . 2]" 1
370 1 39 SER H 1 48 THR H 5.540 . 5.540 5.117 4.884 5.438 . 0 0 "[ . 1 . 2]" 1
371 1 47 ILE H 1 48 THR H 4.500 . 4.500 4.440 4.379 4.485 . 0 0 "[ . 1 . 2]" 1
372 1 38 CYS HA 1 48 THR H 4.500 . 4.500 4.057 3.877 4.222 . 0 0 "[ . 1 . 2]" 1
373 1 48 THR H 1 49 VAL HA 4.880 . 4.880 4.532 4.451 4.658 . 0 0 "[ . 1 . 2]" 1
374 1 48 THR H 1 48 THR HB 3.440 . 3.440 2.861 2.728 2.978 . 0 0 "[ . 1 . 2]" 1
375 1 37 ILE HB 1 48 THR H 3.840 . 3.840 3.277 3.053 3.493 . 0 0 "[ . 1 . 2]" 1
376 1 48 THR H 1 48 THR MG 4.040 . 4.040 3.947 3.895 3.996 . 0 0 "[ . 1 . 2]" 1
377 1 36 ILE MG 1 48 THR H 3.420 . 3.420 2.375 2.189 2.582 . 0 0 "[ . 1 . 2]" 1
378 1 49 VAL H 1 50 MET H 4.600 . 4.600 4.269 4.161 4.416 . 0 0 "[ . 1 . 2]" 1
379 1 48 THR H 1 49 VAL H 4.880 . 4.880 4.194 4.083 4.302 . 0 0 "[ . 1 . 2]" 1
380 1 48 THR HB 1 49 VAL H 4.220 . 4.220 4.213 4.113 4.264 0.044 2 0 "[ . 1 . 2]" 1
381 1 49 VAL H 1 50 MET HG2 5.020 . 5.020 4.344 4.218 4.445 . 0 0 "[ . 1 . 2]" 1
382 1 47 ILE HB 1 49 VAL H 5.700 . 5.700 5.259 5.019 5.474 . 0 0 "[ . 1 . 2]" 1
383 1 47 ILE MD 1 49 VAL H 4.770 . 4.770 3.543 3.154 4.568 . 0 0 "[ . 1 . 2]" 1
384 1 35 TYR HD1 1 50 MET H 5.110 . 5.110 4.386 4.243 4.509 . 0 0 "[ . 1 . 2]" 1
385 1 35 TYR HE1 1 50 MET H 5.540 . 5.540 4.806 4.629 4.945 . 0 0 "[ . 1 . 2]" 1
386 1 50 MET H 1 51 PRO QD 4.830 . 4.830 4.340 4.219 4.418 . 0 0 "[ . 1 . 2]" 1
387 1 50 MET H 1 50 MET HG2 4.120 . 4.120 2.748 2.581 2.967 . 0 0 "[ . 1 . 2]" 1
388 1 50 MET H 1 50 MET HG3 3.890 . 3.890 3.803 3.667 3.949 0.059 3 0 "[ . 1 . 2]" 1
389 1 34 LYS HB3 1 50 MET H 4.960 . 4.960 4.544 4.363 4.683 . 0 0 "[ . 1 . 2]" 1
390 1 50 MET H 1 50 MET HB3 3.850 . 3.850 3.735 3.703 3.809 . 0 0 "[ . 1 . 2]" 1
391 1 36 ILE MD 1 50 MET H 5.600 . 5.600 5.188 4.898 5.664 0.064 17 0 "[ . 1 . 2]" 1
392 1 50 MET H 1 50 MET HB2 3.480 . 3.480 2.603 2.565 2.704 . 0 0 "[ . 1 . 2]" 1
393 1 52 CYS H 1 52 CYS HB3 3.700 . 3.700 3.251 2.691 3.620 . 0 0 "[ . 1 . 2]" 1
394 1 51 PRO HB2 1 52 CYS H 4.040 . 4.040 3.219 2.979 3.396 . 0 0 "[ . 1 . 2]" 1
395 1 51 PRO HB3 1 52 CYS H 4.110 . 4.110 3.898 3.749 3.985 . 0 0 "[ . 1 . 2]" 1
396 1 34 LYS HB3 1 52 CYS H 4.690 . 4.690 4.586 4.284 4.864 0.174 12 0 "[ . 1 . 2]" 1
397 1 34 LYS QG 1 52 CYS H 4.180 . 4.180 3.104 2.753 3.473 . 0 0 "[ . 1 . 2]" 1
398 1 52 CYS H 1 54 ILE MD 5.660 . 5.660 5.574 5.085 5.760 0.100 11 0 "[ . 1 . 2]" 1
399 1 52 CYS HB3 1 53 SER H 3.620 . 3.620 2.515 2.173 2.934 . 0 0 "[ . 1 . 2]" 1
400 1 53 SER H 1 65 CYS QB 4.410 . 4.410 3.611 3.192 4.096 . 0 0 "[ . 1 . 2]" 1
401 1 52 CYS HB2 1 53 SER H 4.130 . 4.130 3.658 3.543 3.806 . 0 0 "[ . 1 . 2]" 1
402 1 54 ILE H 1 54 ILE HG13 3.530 . 3.530 3.564 3.478 3.617 0.087 11 0 "[ . 1 . 2]" 1
403 1 54 ILE H 1 54 ILE HG12 3.970 . 3.970 3.879 3.815 3.935 . 0 0 "[ . 1 . 2]" 1
404 1 54 ILE HB 1 55 GLY H 4.580 . 4.580 4.196 4.017 4.314 . 0 0 "[ . 1 . 2]" 1
405 1 54 ILE MG 1 55 GLY H 3.520 . 3.520 2.534 2.251 2.745 . 0 0 "[ . 1 . 2]" 1
406 1 56 THR H 1 57 LYS H 4.550 . 4.550 4.475 4.425 4.512 . 0 0 "[ . 1 . 2]" 1
407 1 54 ILE HA 1 56 THR H 3.470 . 3.470 3.291 3.126 3.390 . 0 0 "[ . 1 . 2]" 1
408 1 54 ILE HB 1 56 THR H 5.740 . 5.740 5.361 5.197 5.574 . 0 0 "[ . 1 . 2]" 1
409 1 54 ILE MG 1 56 THR H 4.620 . 4.620 4.401 4.248 4.523 . 0 0 "[ . 1 . 2]" 1
410 1 57 LYS H 1 68 ASP HA 4.820 . 4.820 4.171 3.486 4.686 . 0 0 "[ . 1 . 2]" 1
411 1 57 LYS H 1 67 LEU HA 4.580 . 4.580 4.003 3.734 4.288 . 0 0 "[ . 1 . 2]" 1
412 1 57 LYS H 1 65 CYS QB 4.420 . 4.420 3.618 3.298 3.926 . 0 0 "[ . 1 . 2]" 1
413 1 57 LYS H 1 68 ASP HB2 4.630 . 4.630 3.054 2.534 3.572 . 0 0 "[ . 1 . 2]" 1
414 1 57 LYS H 1 57 LYS HB3 3.910 . 3.910 3.207 3.114 3.298 . 0 0 "[ . 1 . 2]" 1
415 1 57 LYS H 1 57 LYS HG2 3.990 . 3.990 2.216 2.045 2.338 . 0 0 "[ . 1 . 2]" 1
416 1 57 LYS H 1 57 LYS HG3 3.990 . 3.990 3.069 2.927 3.207 . 0 0 "[ . 1 . 2]" 1
417 1 57 LYS H 1 66 VAL MG2 3.480 . 3.480 3.247 3.090 3.352 . 0 0 "[ . 1 . 2]" 1
418 1 57 LYS H 1 58 PHE H 4.580 . 4.580 4.384 4.338 4.433 . 0 0 "[ . 1 . 2]" 1
419 1 58 PHE H 1 65 CYS HA 4.790 . 4.790 4.230 4.038 4.355 . 0 0 "[ . 1 . 2]" 1
420 1 32 VAL HA 1 58 PHE H 4.970 . 4.970 4.079 3.873 4.243 . 0 0 "[ . 1 . 2]" 1
421 1 33 HIS HA 1 58 PHE H 5.510 . 5.510 3.589 3.385 3.837 . 0 0 "[ . 1 . 2]" 1
422 1 58 PHE H 1 65 CYS QB 5.630 . 5.630 4.647 4.084 5.130 . 0 0 "[ . 1 . 2]" 1
423 1 57 LYS HB2 1 58 PHE H 3.480 . 3.480 2.870 2.625 3.010 . 0 0 "[ . 1 . 2]" 1
424 1 57 LYS HB3 1 58 PHE H 4.300 . 4.300 3.994 3.867 4.138 . 0 0 "[ . 1 . 2]" 1
425 1 32 VAL MG1 1 58 PHE H 4.860 . 4.860 4.265 2.152 4.909 0.049 5 0 "[ . 1 . 2]" 1
426 1 32 VAL MG2 1 58 PHE H 4.860 . 4.860 4.104 2.040 4.959 0.099 11 0 "[ . 1 . 2]" 1
427 1 58 PHE H 1 59 ASP H 4.780 . 4.780 4.541 4.497 4.561 . 0 0 "[ . 1 . 2]" 1
428 1 59 ASP H 1 60 PRO HA 5.590 . 5.590 5.259 5.151 5.371 . 0 0 "[ . 1 . 2]" 1
429 1 59 ASP H 1 63 ARG HA 4.630 . 4.630 4.368 4.014 4.678 0.048 5 0 "[ . 1 . 2]" 1
430 1 58 PHE HB3 1 59 ASP H 4.300 . 4.300 3.952 3.880 4.029 . 0 0 "[ . 1 . 2]" 1
431 1 59 ASP HB3 1 61 ILE H 4.830 . 4.830 4.339 4.165 4.551 . 0 0 "[ . 1 . 2]" 1
432 1 60 PRO HB3 1 61 ILE H 4.480 . 4.480 4.050 3.953 4.153 . 0 0 "[ . 1 . 2]" 1
433 1 61 ILE H 1 61 ILE HG13 4.140 . 4.140 3.746 3.631 3.898 . 0 0 "[ . 1 . 2]" 1
434 1 62 SER H 1 64 ASN H 5.240 . 5.240 4.650 4.547 4.841 . 0 0 "[ . 1 . 2]" 1
435 1 62 SER H 1 62 SER HB2 3.710 . 3.710 2.761 2.425 3.606 . 0 0 "[ . 1 . 2]" 1
436 1 62 SER H 1 62 SER HB3 3.710 . 3.710 3.367 2.491 3.589 . 0 0 "[ . 1 . 2]" 1
437 1 62 SER H 1 63 ARG HA 5.230 . 5.230 4.766 4.608 4.889 . 0 0 "[ . 1 . 2]" 1
438 1 59 ASP HB3 1 62 SER H 4.190 . 4.190 3.220 3.095 3.358 . 0 0 "[ . 1 . 2]" 1
439 1 61 ILE HG12 1 62 SER H 5.280 . 5.280 4.419 3.987 5.094 . 0 0 "[ . 1 . 2]" 1
440 1 61 ILE HG13 1 62 SER H 5.280 . 5.280 4.900 4.751 5.036 . 0 0 "[ . 1 . 2]" 1
441 1 60 PRO HA 1 63 ARG H 4.550 . 4.550 4.146 3.943 4.343 . 0 0 "[ . 1 . 2]" 1
442 1 59 ASP HB3 1 63 ARG H 4.430 . 4.430 3.031 2.626 3.240 . 0 0 "[ . 1 . 2]" 1
443 1 59 ASP HB2 1 63 ARG H 4.850 . 4.850 4.715 4.356 4.893 0.043 3 0 "[ . 1 . 2]" 1
444 1 63 ARG H 1 64 ASN HB3 5.210 . 5.210 5.132 4.986 5.244 0.034 6 0 "[ . 1 . 2]" 1
445 1 61 ILE HB 1 63 ARG H 5.110 . 5.110 4.806 4.661 4.924 . 0 0 "[ . 1 . 2]" 1
446 1 63 ARG H 1 63 ARG HB2 4.170 . 4.170 3.607 3.516 3.709 . 0 0 "[ . 1 . 2]" 1
447 1 63 ARG H 1 63 ARG HB3 4.170 . 4.170 4.119 4.058 4.170 . 0 0 "[ . 1 . 2]" 1
448 1 61 ILE MG 1 63 ARG H 5.180 . 5.180 4.869 4.620 5.022 . 0 0 "[ . 1 . 2]" 1
449 1 64 ASN H 1 65 CYS H 4.490 . 4.490 4.309 4.265 4.337 . 0 0 "[ . 1 . 2]" 1
450 1 59 ASP H 1 64 ASN H 3.600 . 3.600 2.776 2.555 2.964 . 0 0 "[ . 1 . 2]" 1
451 1 58 PHE HA 1 64 ASN H 4.650 . 4.650 4.235 3.999 4.440 . 0 0 "[ . 1 . 2]" 1
452 1 58 PHE HB3 1 64 ASN H 5.940 . 5.940 5.892 5.625 6.020 0.080 10 0 "[ . 1 . 2]" 1
453 1 63 ARG HB2 1 64 ASN H 4.660 . 4.660 4.353 4.274 4.454 . 0 0 "[ . 1 . 2]" 1
454 1 63 ARG HB3 1 64 ASN H 4.660 . 4.660 4.392 4.294 4.468 . 0 0 "[ . 1 . 2]" 1
455 1 64 ASN H 1 66 VAL MG1 4.700 . 4.700 4.431 4.225 4.710 0.010 13 0 "[ . 1 . 2]" 1
456 1 66 VAL H 1 67 LEU H 4.590 . 4.590 4.483 4.455 4.514 . 0 0 "[ . 1 . 2]" 1
457 1 57 LYS H 1 68 ASP H 3.980 . 3.980 3.590 3.395 3.848 . 0 0 "[ . 1 . 2]" 1
458 1 67 LEU HB2 1 68 ASP H 4.950 . 4.950 4.361 4.126 4.543 . 0 0 "[ . 1 . 2]" 1
459 1 67 LEU HB3 1 68 ASP H 4.950 . 4.950 4.017 3.106 4.326 . 0 0 "[ . 1 . 2]" 1
460 1 57 LYS QD 1 68 ASP H 4.860 . 4.860 4.837 4.408 4.967 0.107 3 0 "[ . 1 . 2]" 1
461 1 68 ASP H 1 69 ASN H 4.370 . 4.370 4.121 3.969 4.296 . 0 0 "[ . 1 . 2]" 1
462 1 66 VAL MG2 1 69 ASN H 5.190 . 5.190 4.921 4.127 5.238 0.048 18 0 "[ . 1 . 2]" 1
463 1 11 GLU QG 1 31 ASN HD22 3.990 . 3.990 3.175 2.590 4.405 0.415 12 0 "[ . 1 . 2]" 1
464 1 64 ASN HD21 1 66 VAL MG1 4.590 . 4.590 3.741 2.772 4.687 0.097 14 0 "[ . 1 . 2]" 1
465 1 64 ASN HD22 1 66 VAL MG1 4.590 . 4.590 2.783 2.108 3.656 . 0 0 "[ . 1 . 2]" 1
466 1 25 PRO QD 1 63 ARG HE 5.470 . 5.470 4.007 2.797 5.421 . 0 0 "[ . 1 . 2]" 1
467 1 63 ARG HB2 1 63 ARG HE 4.590 . 4.590 3.119 1.910 4.626 0.036 9 0 "[ . 1 . 2]" 1
468 1 63 ARG HB3 1 63 ARG HE 4.590 . 4.590 3.649 1.860 4.646 0.056 1 0 "[ . 1 . 2]" 1
469 1 45 TRP QB 1 45 TRP HE1 4.620 . 4.620 4.440 4.410 4.470 . 0 0 "[ . 1 . 2]" 1
470 1 32 VAL HB 1 58 PHE H 4.870 . 4.870 3.577 3.101 4.953 0.083 20 0 "[ . 1 . 2]" 1
471 1 43 SER H 1 44 LEU MD1 6.000 . 6.000 5.131 3.276 5.861 . 0 0 "[ . 1 . 2]" 1
472 1 43 SER H 1 44 LEU MD2 6.000 . 6.000 5.263 4.312 6.037 0.037 16 0 "[ . 1 . 2]" 1
473 1 25 PRO HA 1 36 ILE H 5.190 . 5.190 4.314 4.126 4.545 . 0 0 "[ . 1 . 2]" 1
474 1 35 TYR H 1 36 ILE MG 6.000 . 6.000 5.969 5.891 6.066 0.066 19 0 "[ . 1 . 2]" 1
475 1 34 LYS H 1 58 PHE H 5.480 . 5.480 4.303 3.945 4.601 . 0 0 "[ . 1 . 2]" 1
476 1 31 ASN H 1 34 LYS HB2 4.750 . 4.750 4.583 4.075 5.008 0.258 12 0 "[ . 1 . 2]" 1
477 1 3 LEU QB 1 6 ASP H 5.110 . 5.110 3.884 2.497 5.158 0.048 1 0 "[ . 1 . 2]" 1
478 1 22 GLU H 1 45 TRP HH2 5.420 . 5.420 3.750 3.124 4.672 . 0 0 "[ . 1 . 2]" 1
479 1 52 CYS HB3 1 56 THR MG 5.370 . 5.370 4.718 4.128 5.421 0.051 15 0 "[ . 1 . 2]" 1
480 1 59 ASP HB2 1 66 VAL MG1 3.430 . 3.430 3.189 2.834 3.443 0.013 15 0 "[ . 1 . 2]" 1
481 1 57 LYS HG3 1 66 VAL MG2 4.280 . 4.280 2.457 2.240 2.698 . 0 0 "[ . 1 . 2]" 1
482 1 36 ILE HG12 1 49 VAL MG2 3.680 . 3.680 3.352 2.655 3.658 . 0 0 "[ . 1 . 2]" 1
483 1 9 VAL QG 1 49 VAL MG1 . . 3.280 2.545 2.146 2.854 . 0 0 "[ . 1 . 2]" 1
484 1 26 ILE MG 1 61 ILE MD 4.190 . 4.190 4.348 4.248 4.420 0.230 12 0 "[ . 1 . 2]" 1
485 1 16 TYR HB3 1 29 PRO HG2 3.830 . 3.830 2.942 2.469 3.530 . 0 0 "[ . 1 . 2]" 1
486 1 37 ILE MD 1 48 THR MG 3.270 . 3.270 3.099 2.915 3.273 0.003 14 0 "[ . 1 . 2]" 1
487 1 34 LYS QD 1 49 VAL MG2 3.370 . 3.370 2.695 2.047 3.047 . 0 0 "[ . 1 . 2]" 1
488 1 28 HIS HB2 1 34 LYS HB2 3.820 . 3.820 2.625 2.321 3.022 . 0 0 "[ . 1 . 2]" 1
489 1 16 TYR HB3 1 29 PRO HG3 4.760 . 4.760 4.119 3.309 4.784 0.024 4 0 "[ . 1 . 2]" 1
490 1 38 CYS HB3 1 45 TRP HZ3 4.550 . 4.550 2.472 2.174 2.830 . 0 0 "[ . 1 . 2]" 1
491 1 27 PRO HD2 1 60 PRO QD 3.760 . 3.760 3.657 3.491 3.795 0.035 19 0 "[ . 1 . 2]" 1
492 1 41 SER QB 1 46 TYR QD 4.190 . 4.190 2.333 2.111 2.554 . 0 0 "[ . 1 . 2]" 1
493 1 41 SER QB 1 46 TYR QE 3.970 . 3.970 2.150 1.918 2.449 . 0 0 "[ . 1 . 2]" 1
494 1 52 CYS HB3 1 53 SER QB 4.350 . 4.350 4.123 3.673 4.507 0.157 20 0 "[ . 1 . 2]" 1
495 1 52 CYS HB3 1 53 SER HA 4.730 . 4.730 4.662 4.471 4.853 0.123 13 0 "[ . 1 . 2]" 1
496 1 3 LEU HA 1 4 GLY QA 4.270 . 4.270 3.959 3.851 4.184 . 0 0 "[ . 1 . 2]" 1
497 1 23 GLU HA 1 45 TRP HZ3 3.550 . 3.550 2.464 1.988 2.753 . 0 0 "[ . 1 . 2]" 1
498 1 46 TYR HA 1 46 TYR QD 4.510 . 4.510 2.928 2.773 3.112 . 0 0 "[ . 1 . 2]" 1
499 1 35 TYR HD1 1 52 CYS HA 4.230 . 4.230 4.162 3.912 4.332 0.102 13 0 "[ . 1 . 2]" 1
500 1 35 TYR HE1 1 52 CYS HA 4.550 . 4.550 3.859 3.532 4.218 . 0 0 "[ . 1 . 2]" 1
501 1 45 TRP HA 1 45 TRP HE3 4.360 . 4.360 3.372 3.044 3.743 . 0 0 "[ . 1 . 2]" 1
502 1 28 HIS HD2 1 49 VAL MG2 3.500 . 3.500 2.389 1.995 2.938 . 0 0 "[ . 1 . 2]" 1
503 1 6 ASP HA 1 19 VAL MG2 4.580 . 4.580 2.959 2.271 3.820 . 0 0 "[ . 1 . 2]" 1
504 1 9 VAL HA 1 9 VAL QG . . 3.330 2.282 2.243 2.319 . 0 0 "[ . 1 . 2]" 1
505 1 9 VAL QG 1 16 TYR HB3 3.760 . 3.760 3.322 3.027 3.732 . 0 0 "[ . 1 . 2]" 1
506 1 9 VAL QG 1 49 VAL MG2 3.990 . 3.990 3.237 2.961 3.518 . 0 0 "[ . 1 . 2]" 1
507 1 28 HIS HD2 1 36 ILE MD 4.160 . 4.160 2.071 1.832 3.193 . 0 0 "[ . 1 . 2]" 1
508 1 20 CYS HA 1 26 ILE MD 4.680 . 4.680 3.984 3.401 4.687 0.007 17 0 "[ . 1 . 2]" 1
509 1 28 HIS HB2 1 36 ILE HG12 5.490 . 5.490 4.934 4.240 5.494 0.004 20 0 "[ . 1 . 2]" 1
510 1 7 LEU HA 1 7 LEU MD1 4.620 . 4.620 2.612 2.082 3.348 . 0 0 "[ . 1 . 2]" 1
511 1 46 TYR QB 1 47 ILE MG 5.100 . 5.100 4.437 4.351 4.526 . 0 0 "[ . 1 . 2]" 1
512 1 20 CYS HB2 1 47 ILE MG 4.430 . 4.430 3.218 2.614 3.545 . 0 0 "[ . 1 . 2]" 1
513 1 47 ILE HG13 1 47 ILE MG 3.380 . 3.380 2.661 2.453 2.726 . 0 0 "[ . 1 . 2]" 1
514 1 44 LEU HA 1 44 LEU MD2 4.060 . 4.060 3.178 1.925 3.879 . 0 0 "[ . 1 . 2]" 1
515 1 44 LEU HA 1 44 LEU MD1 4.060 . 4.060 2.667 1.973 3.850 . 0 0 "[ . 1 . 2]" 1
516 1 34 LYS HB3 1 49 VAL MG2 4.460 . 4.460 2.636 2.390 2.839 . 0 0 "[ . 1 . 2]" 1
517 1 35 TYR HB3 1 49 VAL MG2 5.690 . 5.690 5.613 5.502 5.721 0.031 1 0 "[ . 1 . 2]" 1
518 1 36 ILE HB 1 49 VAL MG2 5.180 . 5.180 4.938 4.805 5.058 . 0 0 "[ . 1 . 2]" 1
519 1 36 ILE HG13 1 49 VAL MG2 3.690 . 3.690 2.447 2.181 3.049 . 0 0 "[ . 1 . 2]" 1
520 1 57 LYS HG2 1 66 VAL MG2 4.280 . 4.280 2.690 2.536 2.845 . 0 0 "[ . 1 . 2]" 1
521 1 48 THR HA 1 48 THR MG 3.070 . 3.070 2.343 2.309 2.378 . 0 0 "[ . 1 . 2]" 1
522 1 48 THR MG 1 50 MET HG3 3.590 . 3.590 3.438 3.179 3.574 . 0 0 "[ . 1 . 2]" 1
523 1 36 ILE MG 1 48 THR MG 4.430 . 4.430 4.417 4.330 4.489 0.059 17 0 "[ . 1 . 2]" 1
524 1 47 ILE MD 1 48 THR MG 4.670 . 4.670 4.522 4.311 4.775 0.105 14 0 "[ . 1 . 2]" 1
525 1 48 THR MG 1 50 MET HB2 4.820 . 4.820 4.639 4.499 4.820 0.000 3 0 "[ . 1 . 2]" 1
526 1 20 CYS HB2 1 45 TRP QB 4.690 . 4.690 4.042 3.438 4.813 0.123 5 0 "[ . 1 . 2]" 1
527 1 32 VAL HB 1 57 LYS QD 4.980 . 4.980 3.577 2.828 4.826 . 0 0 "[ . 1 . 2]" 1
528 1 32 VAL MG1 1 57 LYS QD 4.870 . 4.870 3.492 2.498 4.141 . 0 0 "[ . 1 . 2]" 1
529 1 57 LYS QD 1 66 VAL MG2 5.220 . 5.220 3.738 3.556 3.918 . 0 0 "[ . 1 . 2]" 1
530 1 32 VAL MG2 1 57 LYS HB2 4.770 . 4.770 2.588 1.955 4.038 . 0 0 "[ . 1 . 2]" 1
531 1 14 LYS HB2 1 14 LYS QD 3.540 . 3.540 3.179 2.393 3.500 . 0 0 "[ . 1 . 2]" 1
532 1 28 HIS HD2 1 34 LYS HB3 4.450 . 4.450 4.447 3.376 4.594 0.144 6 0 "[ . 1 . 2]" 1
533 1 18 VAL HB 1 49 VAL MG1 6.000 . 6.000 5.890 5.321 6.090 0.090 19 0 "[ . 1 . 2]" 1
534 1 26 ILE HB 1 35 TYR HB2 5.930 . 5.930 5.339 5.264 5.458 . 0 0 "[ . 1 . 2]" 1
535 1 28 HIS HB2 1 35 TYR HB2 6.000 . 6.000 5.190 5.001 5.663 . 0 0 "[ . 1 . 2]" 1
536 1 25 PRO HB2 1 27 PRO HD3 6.000 . 6.000 6.019 5.925 6.056 0.056 18 0 "[ . 1 . 2]" 1
537 1 25 PRO HB2 1 26 ILE MG 5.300 . 5.300 5.015 4.957 5.050 . 0 0 "[ . 1 . 2]" 1
538 1 25 PRO HB2 1 37 ILE HG12 5.630 . 5.630 5.122 4.847 5.283 . 0 0 "[ . 1 . 2]" 1
539 1 26 ILE HA 1 27 PRO HG3 4.880 . 4.880 4.675 4.647 4.698 . 0 0 "[ . 1 . 2]" 1
540 1 50 MET HA 1 51 PRO HG3 4.910 . 4.910 4.309 4.254 4.357 . 0 0 "[ . 1 . 2]" 1
541 1 11 GLU QG 1 16 TYR QE 5.210 . 5.210 3.862 3.608 4.234 . 0 0 "[ . 1 . 2]" 1
542 1 40 LYS HB2 1 40 LYS HE3 5.310 . 5.310 4.177 2.025 4.892 . 0 0 "[ . 1 . 2]" 1
543 1 25 PRO HB3 1 37 ILE HG12 4.280 . 4.280 3.628 3.343 3.777 . 0 0 "[ . 1 . 2]" 1
544 1 48 THR HB 1 50 MET HG2 4.970 . 4.970 3.606 3.418 3.927 . 0 0 "[ . 1 . 2]" 1
545 1 50 MET HG2 1 51 PRO QD 5.470 . 5.470 4.338 4.269 4.398 . 0 0 "[ . 1 . 2]" 1
546 1 32 VAL HB 1 57 LYS HB3 4.850 . 4.850 3.765 3.408 4.997 0.147 20 0 "[ . 1 . 2]" 1
547 1 24 GLY HA2 1 25 PRO HG3 4.750 . 4.750 4.438 4.296 4.583 . 0 0 "[ . 1 . 2]" 1
548 1 57 LYS HB3 1 68 ASP HB2 4.940 . 4.940 2.292 2.037 2.777 . 0 0 "[ . 1 . 2]" 1
549 1 34 LYS QE 1 51 PRO HA 4.700 . 4.700 4.420 3.665 4.772 0.072 11 0 "[ . 1 . 2]" 1
550 1 57 LYS HE3 1 68 ASP HA 4.340 . 4.340 3.865 3.638 4.325 . 0 0 "[ . 1 . 2]" 1
551 1 40 LYS HA 1 46 TYR QB 5.990 . 5.990 4.818 4.503 5.222 . 0 0 "[ . 1 . 2]" 1
552 1 41 SER HA 1 46 TYR QB 6.000 . 6.000 5.898 5.484 6.076 0.076 18 0 "[ . 1 . 2]" 1
553 1 57 LYS HE2 1 68 ASP HA 3.960 . 3.960 2.221 1.915 2.640 . 0 0 "[ . 1 . 2]" 1
554 1 57 LYS HE2 1 57 LYS HG2 3.960 . 3.960 2.489 2.375 2.586 . 0 0 "[ . 1 . 2]" 1
555 1 57 LYS HE2 1 57 LYS HG3 3.960 . 3.960 3.071 2.989 3.168 . 0 0 "[ . 1 . 2]" 1
556 1 57 LYS HE2 1 66 VAL MG2 3.920 . 3.920 2.899 2.701 3.086 . 0 0 "[ . 1 . 2]" 1
557 1 58 PHE HB2 1 65 CYS QB 5.200 . 5.200 4.452 4.017 4.960 . 0 0 "[ . 1 . 2]" 1
558 1 21 HIS HB2 1 22 GLU QG 4.880 . 4.880 3.778 2.575 4.678 . 0 0 "[ . 1 . 2]" 1
559 1 25 PRO QD 1 63 ARG HD3 4.840 . 4.840 2.856 1.920 4.297 . 0 0 "[ . 1 . 2]" 1
560 1 63 ARG HB3 1 63 ARG HD2 4.010 . 4.010 2.808 2.414 3.675 . 0 0 "[ . 1 . 2]" 1
561 1 28 HIS HB3 1 34 LYS HB3 5.970 . 5.970 4.088 3.644 4.628 . 0 0 "[ . 1 . 2]" 1
562 1 41 SER QB 1 44 LEU HB2 5.140 . 5.140 3.826 2.550 4.706 . 0 0 "[ . 1 . 2]" 1
563 1 47 ILE HA 1 48 THR HB 4.710 . 4.710 4.583 4.545 4.609 . 0 0 "[ . 1 . 2]" 1
564 1 37 ILE HB 1 48 THR HB 3.480 . 3.480 2.709 2.405 2.886 . 0 0 "[ . 1 . 2]" 1
565 1 37 ILE HG13 1 48 THR HB 5.150 . 5.150 5.071 4.819 5.178 0.028 14 0 "[ . 1 . 2]" 1
566 1 37 ILE MG 1 48 THR HB 4.350 . 4.350 4.163 3.942 4.312 . 0 0 "[ . 1 . 2]" 1
567 1 36 ILE MG 1 48 THR HB 4.840 . 4.840 4.246 4.085 4.352 . 0 0 "[ . 1 . 2]" 1
568 1 54 ILE MG 1 55 GLY HA3 4.490 . 4.490 3.318 3.204 3.437 . 0 0 "[ . 1 . 2]" 1
569 1 60 PRO HB2 1 61 ILE HA 4.520 . 4.520 3.927 3.868 4.019 . 0 0 "[ . 1 . 2]" 1
570 1 61 ILE HA 1 61 ILE HG12 4.040 . 4.040 3.364 3.140 3.636 . 0 0 "[ . 1 . 2]" 1
571 1 61 ILE HA 1 61 ILE HG13 4.040 . 4.040 3.246 2.362 3.722 . 0 0 "[ . 1 . 2]" 1
572 1 27 PRO HD3 1 60 PRO HB3 4.260 . 4.260 2.821 2.496 3.166 . 0 0 "[ . 1 . 2]" 1
573 1 12 GLY QA 1 13 GLY HA3 4.200 . 4.200 4.004 3.983 4.018 . 0 0 "[ . 1 . 2]" 1
574 1 24 GLY HA2 1 25 PRO HG2 4.720 . 4.720 4.756 4.603 4.888 0.168 5 0 "[ . 1 . 2]" 1
575 1 27 PRO HB3 1 60 PRO HA 5.050 . 5.050 4.969 4.786 5.107 0.057 9 0 "[ . 1 . 2]" 1
576 1 27 PRO HA 1 35 TYR HD2 4.760 . 4.760 4.782 4.565 4.880 0.120 10 0 "[ . 1 . 2]" 1
577 1 52 CYS HB3 1 57 LYS HA 4.600 . 4.600 4.159 3.618 4.554 . 0 0 "[ . 1 . 2]" 1
578 1 30 GLY HA3 1 31 ASN HA 4.860 . 4.860 4.565 4.395 4.769 . 0 0 "[ . 1 . 2]" 1
579 1 54 ILE MG 1 55 GLY HA2 4.490 . 4.490 3.499 3.328 3.645 . 0 0 "[ . 1 . 2]" 1
580 1 8 ILE HA 1 9 VAL HA 4.640 . 4.640 4.426 4.398 4.454 . 0 0 "[ . 1 . 2]" 1
581 1 18 VAL HA 1 29 PRO HG3 3.910 . 3.910 3.328 2.872 3.889 . 0 0 "[ . 1 . 2]" 1
582 1 18 VAL HA 1 18 VAL MG1 3.410 . 3.410 2.387 2.361 2.418 . 0 0 "[ . 1 . 2]" 1
583 1 36 ILE HA 1 48 THR HA 5.440 . 5.440 5.191 5.091 5.260 . 0 0 "[ . 1 . 2]" 1
584 1 34 LYS HB2 1 35 TYR HA 4.910 . 4.910 4.538 4.433 4.628 . 0 0 "[ . 1 . 2]" 1
585 1 35 TYR HA 1 49 VAL MG2 4.720 . 4.720 4.030 3.906 4.140 . 0 0 "[ . 1 . 2]" 1
586 1 35 TYR HA 1 36 ILE HG12 5.380 . 5.380 5.072 4.563 5.300 . 0 0 "[ . 1 . 2]" 1
587 1 13 GLY HA2 1 14 LYS HA 4.810 . 4.810 4.626 4.564 4.698 . 0 0 "[ . 1 . 2]" 1
588 1 14 LYS HA 1 14 LYS QE 4.360 . 4.360 3.845 2.819 4.411 0.051 9 0 "[ . 1 . 2]" 1
589 1 14 LYS HA 1 14 LYS QD 3.790 . 3.790 2.197 1.994 3.847 0.057 9 0 "[ . 1 . 2]" 1
590 1 13 GLY HA3 1 14 LYS HA 4.710 . 4.710 4.386 4.306 4.442 . 0 0 "[ . 1 . 2]" 1
591 1 36 ILE HA 1 49 VAL HB 4.710 . 4.710 3.804 3.744 3.916 . 0 0 "[ . 1 . 2]" 1
592 1 16 TYR HA 1 17 HIS HB2 4.880 . 4.880 4.522 4.449 4.579 . 0 0 "[ . 1 . 2]" 1
593 1 36 ILE HA 1 50 MET HG3 5.420 . 5.420 5.438 5.225 5.506 0.086 5 0 "[ . 1 . 2]" 1
594 1 10 HIS HD2 1 15 THR HA 6.000 . 6.000 5.010 2.605 6.080 0.080 10 0 "[ . 1 . 2]" 1
595 1 15 THR HA 1 17 HIS HD2 6.000 . 6.000 5.916 5.719 6.047 0.047 2 0 "[ . 1 . 2]" 1
596 1 6 ASP HA 1 19 VAL HA 3.910 . 3.910 2.935 2.478 3.656 . 0 0 "[ . 1 . 2]" 1
597 1 8 ILE HA 1 17 HIS HD2 5.190 . 5.190 4.919 4.597 5.211 0.021 8 0 "[ . 1 . 2]" 1
598 1 8 ILE HA 1 15 THR HB 5.620 . 5.620 5.491 5.110 5.680 0.060 19 0 "[ . 1 . 2]" 1
599 1 8 ILE HA 1 9 VAL HB 5.720 . 5.720 5.637 5.604 5.680 . 0 0 "[ . 1 . 2]" 1
600 1 7 LEU MD1 1 8 ILE HA 5.340 . 5.340 4.192 3.422 4.788 . 0 0 "[ . 1 . 2]" 1
601 1 8 ILE HA 1 9 VAL QG 4.120 . 4.120 3.165 3.105 3.229 . 0 0 "[ . 1 . 2]" 1
602 1 57 LYS HA 1 65 CYS HA 5.010 . 5.010 4.756 4.543 4.918 . 0 0 "[ . 1 . 2]" 1
603 1 57 LYS HA 1 58 PHE HA 4.650 . 4.650 4.320 4.306 4.345 . 0 0 "[ . 1 . 2]" 1
604 1 26 ILE HA 1 35 TYR HD2 4.670 . 4.670 4.496 4.319 4.637 . 0 0 "[ . 1 . 2]" 1
605 1 24 GLY HA3 1 37 ILE MG 5.790 . 5.790 5.208 5.023 5.394 . 0 0 "[ . 1 . 2]" 1
606 1 23 GLU HA 1 39 SER HA 4.610 . 4.610 3.729 3.294 4.417 . 0 0 "[ . 1 . 2]" 1
607 1 56 THR HA 1 66 VAL HA 5.470 . 5.470 5.219 4.923 5.390 . 0 0 "[ . 1 . 2]" 1
608 1 29 PRO HB3 1 36 ILE MD 5.390 . 5.390 5.343 4.912 5.552 0.162 11 0 "[ . 1 . 2]" 1
609 1 7 LEU MD2 1 8 ILE HA 5.340 . 5.340 4.898 4.249 5.350 0.010 5 0 "[ . 1 . 2]" 1
610 1 41 SER QB 1 44 LEU HB3 5.140 . 5.140 3.021 2.520 3.676 . 0 0 "[ . 1 . 2]" 1
611 1 36 ILE HA 1 48 THR HB 5.240 . 5.240 4.836 4.596 4.942 . 0 0 "[ . 1 . 2]" 1
612 1 28 HIS HB2 1 34 LYS HA 4.850 . 4.850 4.442 4.228 4.760 . 0 0 "[ . 1 . 2]" 1
613 1 8 ILE MG 1 17 HIS HE1 4.700 . 4.700 4.264 3.566 4.711 0.011 1 0 "[ . 1 . 2]" 1
614 1 8 ILE MD 1 17 HIS HE1 3.810 . 3.810 2.562 2.406 2.972 . 0 0 "[ . 1 . 2]" 1
615 1 25 PRO QD 1 63 ARG HA 5.190 . 5.190 4.933 4.209 5.268 0.078 4 0 "[ . 1 . 2]" 1
616 1 9 VAL HA 1 10 HIS HD2 4.900 . 4.900 3.340 2.799 4.914 0.014 9 0 "[ . 1 . 2]" 1
617 1 32 VAL MG1 1 57 LYS HB3 5.110 . 5.110 4.433 2.340 5.124 0.014 1 0 "[ . 1 . 2]" 1
618 1 57 LYS HB3 1 66 VAL MG2 5.810 . 5.810 4.647 4.477 4.808 . 0 0 "[ . 1 . 2]" 1
619 1 22 GLU HA 1 45 TRP HZ3 4.400 . 4.400 4.247 3.603 4.489 0.089 14 0 "[ . 1 . 2]" 1
620 1 16 TYR HB3 1 29 PRO HB2 5.090 . 5.090 4.042 2.998 4.801 . 0 0 "[ . 1 . 2]" 1
621 1 16 TYR QE 1 29 PRO HB2 5.190 . 5.190 4.547 3.987 5.058 . 0 0 "[ . 1 . 2]" 1
622 1 16 TYR QD 1 29 PRO HB2 4.640 . 4.640 3.272 2.272 3.827 . 0 0 "[ . 1 . 2]" 1
623 1 34 LYS QE 1 49 VAL MG1 4.240 . 4.240 4.258 3.866 4.407 0.167 16 0 "[ . 1 . 2]" 1
624 1 38 CYS HB3 1 45 TRP HE3 4.880 . 4.880 2.878 2.474 3.302 . 0 0 "[ . 1 . 2]" 1
625 1 38 CYS HB2 1 45 TRP HZ3 4.550 . 4.550 3.258 2.902 3.752 . 0 0 "[ . 1 . 2]" 1
626 1 38 CYS HB2 1 45 TRP HE3 4.880 . 4.880 4.449 4.006 4.932 0.052 4 0 "[ . 1 . 2]" 1
627 1 38 CYS HA 1 45 TRP HE3 4.710 . 4.710 3.918 3.680 4.174 . 0 0 "[ . 1 . 2]" 1
628 1 37 ILE HA 1 48 THR HB 5.600 . 5.600 5.412 5.079 5.580 . 0 0 "[ . 1 . 2]" 1
629 1 29 PRO HG2 1 30 GLY HA3 5.900 . 5.900 4.270 4.021 4.429 . 0 0 "[ . 1 . 2]" 1
630 1 16 TYR QE 1 29 PRO HG2 5.570 . 5.570 5.397 5.073 5.528 . 0 0 "[ . 1 . 2]" 1
631 1 16 TYR QD 1 29 PRO HG2 4.730 . 4.730 3.628 3.304 3.842 . 0 0 "[ . 1 . 2]" 1
632 1 28 HIS HD2 1 34 LYS HB2 4.770 . 4.770 4.521 3.143 4.791 0.021 7 0 "[ . 1 . 2]" 1
633 1 34 LYS HA 1 35 TYR HD1 4.530 . 4.530 3.334 3.138 3.660 . 0 0 "[ . 1 . 2]" 1
634 1 15 THR MG 1 17 HIS HA 5.550 . 5.550 5.548 5.285 5.645 0.095 9 0 "[ . 1 . 2]" 1
635 1 26 ILE MD 1 27 PRO HD2 4.550 . 4.550 3.861 3.767 3.972 . 0 0 "[ . 1 . 2]" 1
636 1 16 TYR QD 1 29 PRO HB3 5.480 . 5.480 4.936 4.002 5.469 . 0 0 "[ . 1 . 2]" 1
637 1 24 GLY HA3 1 25 PRO HG2 4.950 . 4.950 4.806 4.636 4.910 . 0 0 "[ . 1 . 2]" 1
638 1 25 PRO HA 1 26 ILE MD 5.040 . 5.040 4.041 3.868 4.152 . 0 0 "[ . 1 . 2]" 1
639 1 23 GLU QG 1 45 TRP HZ3 4.410 . 4.410 2.996 2.495 3.452 . 0 0 "[ . 1 . 2]" 1
640 1 20 CYS HB2 1 45 TRP HE3 5.020 . 5.020 3.273 2.771 3.765 . 0 0 "[ . 1 . 2]" 1
641 1 20 CYS HB3 1 45 TRP HE3 4.940 . 4.940 3.725 2.823 4.377 . 0 0 "[ . 1 . 2]" 1
642 1 29 PRO HG3 1 36 ILE MD 4.620 . 4.620 4.240 3.683 4.545 . 0 0 "[ . 1 . 2]" 1
643 1 35 TYR HB2 1 36 ILE MD 4.950 . 4.950 4.108 3.785 5.078 0.128 8 0 "[ . 1 . 2]" 1
644 1 16 TYR QE 1 30 GLY HA2 4.090 . 4.090 2.889 2.525 3.198 . 0 0 "[ . 1 . 2]" 1
645 1 16 TYR QE 1 30 GLY HA3 4.150 . 4.150 3.432 2.929 3.955 . 0 0 "[ . 1 . 2]" 1
646 1 33 HIS HA 1 57 LYS HA 3.650 . 3.650 2.429 2.187 2.853 . 0 0 "[ . 1 . 2]" 1
647 1 27 PRO HD3 1 59 ASP HA 3.850 . 3.850 3.939 3.892 4.015 0.165 17 0 "[ . 1 . 2]" 1
648 1 50 MET ME 1 51 PRO QD 3.480 . 3.480 2.361 2.205 2.483 . 0 0 "[ . 1 . 2]" 1
649 1 48 THR HA 1 50 MET ME 4.830 . 4.830 4.602 4.424 4.861 0.031 7 0 "[ . 1 . 2]" 1
650 1 46 TYR HA 1 47 ILE MG 4.130 . 4.130 3.630 3.427 4.035 . 0 0 "[ . 1 . 2]" 1
651 1 26 ILE HG12 1 36 ILE MD 4.660 . 4.660 4.636 4.506 4.713 0.053 14 0 "[ . 1 . 2]" 1
652 1 25 PRO HG2 1 35 TYR HE2 5.460 . 5.460 4.502 4.346 4.763 . 0 0 "[ . 1 . 2]" 1
653 1 25 PRO HG2 1 35 TYR HD2 5.920 . 5.920 4.620 4.374 4.851 . 0 0 "[ . 1 . 2]" 1
654 1 25 PRO HG3 1 35 TYR HE2 4.410 . 4.410 3.843 3.529 4.102 . 0 0 "[ . 1 . 2]" 1
655 1 52 CYS HB2 1 57 LYS HA 5.120 . 5.120 4.071 3.351 5.136 0.016 14 0 "[ . 1 . 2]" 1
656 1 8 ILE MG 1 9 VAL HA 4.020 . 4.020 3.692 3.485 3.877 . 0 0 "[ . 1 . 2]" 1
657 1 7 LEU HB3 1 47 ILE MD 3.480 . 3.480 2.674 2.274 3.264 . 0 0 "[ . 1 . 2]" 1
658 1 26 ILE MD 1 35 TYR HB2 4.320 . 4.320 4.182 4.053 4.343 0.023 18 0 "[ . 1 . 2]" 1
659 1 57 LYS HE3 1 66 VAL MG2 3.550 . 3.550 2.710 2.458 2.916 . 0 0 "[ . 1 . 2]" 1
660 1 36 ILE MG 1 37 ILE MD 4.040 . 4.040 3.735 3.679 3.793 . 0 0 "[ . 1 . 2]" 1
661 1 26 ILE HB 1 27 PRO HD3 3.820 . 3.820 3.557 3.464 3.642 . 0 0 "[ . 1 . 2]" 1
662 1 57 LYS HB3 1 68 ASP HB3 4.940 . 4.940 3.845 3.542 4.235 . 0 0 "[ . 1 . 2]" 1
663 1 57 LYS QD 1 68 ASP HB3 5.280 . 5.280 4.087 3.677 4.344 . 0 0 "[ . 1 . 2]" 1
664 1 9 VAL HB 1 16 TYR HB2 5.300 . 5.300 4.795 4.434 5.327 0.027 2 0 "[ . 1 . 2]" 1
665 1 64 ASN HB2 1 66 VAL MG1 4.610 . 4.610 4.467 4.114 4.659 0.049 10 0 "[ . 1 . 2]" 1
666 1 45 TRP QB 1 47 ILE MG 3.790 . 3.790 2.960 2.652 3.234 . 0 0 "[ . 1 . 2]" 1
667 1 20 CYS HB3 1 38 CYS HB2 4.260 . 4.260 3.187 2.865 4.264 0.004 5 0 "[ . 1 . 2]" 1
668 1 33 HIS HA 1 52 CYS HB3 4.620 . 4.620 4.281 3.712 4.695 0.075 20 0 "[ . 1 . 2]" 1
669 1 56 THR HA 1 68 ASP HB2 4.190 . 4.190 3.035 2.679 3.581 . 0 0 "[ . 1 . 2]" 1
670 1 56 THR HA 1 68 ASP HB3 4.190 . 4.190 3.140 2.658 3.863 . 0 0 "[ . 1 . 2]" 1
671 1 50 MET HA 1 50 MET ME 3.740 . 3.740 1.834 1.798 1.882 0.002 2 0 "[ . 1 . 2]" 1
672 1 50 MET HB3 1 50 MET ME 3.520 . 3.520 2.999 2.925 3.123 . 0 0 "[ . 1 . 2]" 1
673 1 37 ILE MD 1 50 MET ME 4.170 . 4.170 4.081 4.012 4.168 . 0 0 "[ . 1 . 2]" 1
674 1 49 VAL MG1 1 50 MET ME 4.410 . 4.410 3.737 3.667 3.807 . 0 0 "[ . 1 . 2]" 1
675 1 50 MET HB2 1 50 MET ME 4.130 . 4.130 3.795 3.767 3.836 . 0 0 "[ . 1 . 2]" 1
676 1 35 TYR HE1 1 50 MET HB2 4.290 . 4.290 2.722 2.543 2.830 . 0 0 "[ . 1 . 2]" 1
677 1 8 ILE MG 1 17 HIS HD2 4.280 . 4.280 3.370 2.763 3.873 . 0 0 "[ . 1 . 2]" 1
678 1 8 ILE MG 1 17 HIS HA 3.840 . 3.840 3.112 2.695 3.520 . 0 0 "[ . 1 . 2]" 1
679 1 8 ILE HA 1 8 ILE MG 3.250 . 3.250 2.283 2.222 2.350 . 0 0 "[ . 1 . 2]" 1
680 1 8 ILE MG 1 15 THR HB 3.800 . 3.800 2.616 2.259 2.961 . 0 0 "[ . 1 . 2]" 1
681 1 8 ILE HG12 1 8 ILE MG 3.680 . 3.680 2.381 2.322 2.452 . 0 0 "[ . 1 . 2]" 1
682 1 8 ILE MD 1 8 ILE MG 2.710 . 2.710 1.873 1.837 1.912 . 0 0 "[ . 1 . 2]" 1
683 1 9 VAL QG 1 16 TYR QD 4.180 . 4.180 3.448 2.861 4.011 . 0 0 "[ . 1 . 2]" 1
684 1 9 VAL QG 1 17 HIS HA 4.910 . 4.910 3.757 3.580 4.068 . 0 0 "[ . 1 . 2]" 1
685 1 19 VAL HA 1 19 VAL MG2 3.250 . 3.250 2.427 2.361 2.480 . 0 0 "[ . 1 . 2]" 1
686 1 9 VAL QG 1 16 TYR HB2 3.620 . 3.620 2.259 1.911 2.725 . 0 0 "[ . 1 . 2]" 1
687 1 28 HIS HA 1 36 ILE MD 3.300 . 3.300 2.013 1.838 2.410 . 0 0 "[ . 1 . 2]" 1
688 1 36 ILE MD 1 49 VAL HA 4.490 . 4.490 4.275 4.075 4.509 0.019 9 0 "[ . 1 . 2]" 1
689 1 28 HIS HB2 1 36 ILE MD 4.550 . 4.550 3.088 2.531 3.885 . 0 0 "[ . 1 . 2]" 1
690 1 36 ILE HB 1 36 ILE MD 3.460 . 3.460 2.242 2.206 2.276 . 0 0 "[ . 1 . 2]" 1
691 1 36 ILE MD 1 49 VAL MG2 3.850 . 3.850 3.367 3.068 3.686 . 0 0 "[ . 1 . 2]" 1
692 1 26 ILE MD 1 36 ILE MD 2.750 . 2.750 2.206 2.078 2.281 . 0 0 "[ . 1 . 2]" 1
693 1 18 VAL HA 1 18 VAL MG2 3.410 . 3.410 2.431 2.370 2.464 . 0 0 "[ . 1 . 2]" 1
694 1 47 ILE MD 1 48 THR HA 3.630 . 3.630 2.944 2.627 3.493 . 0 0 "[ . 1 . 2]" 1
695 1 7 LEU HB2 1 47 ILE MD 3.700 . 3.700 3.111 2.588 3.704 0.004 15 0 "[ . 1 . 2]" 1
696 1 47 ILE HB 1 47 ILE MD 3.020 . 3.020 2.296 2.252 2.425 . 0 0 "[ . 1 . 2]" 1
697 1 8 ILE HG13 1 15 THR MG 4.990 . 4.990 5.132 5.037 5.211 0.221 7 0 "[ . 1 . 2]" 1
698 1 8 ILE HG13 1 8 ILE MG 3.680 . 3.680 3.180 3.174 3.187 . 0 0 "[ . 1 . 2]" 1
699 1 8 ILE MD 1 17 HIS HD2 4.800 . 4.800 4.365 3.964 4.765 . 0 0 "[ . 1 . 2]" 1
700 1 8 ILE MD 1 17 HIS HA 4.830 . 4.830 4.606 4.372 4.756 . 0 0 "[ . 1 . 2]" 1
701 1 8 ILE HA 1 8 ILE MD 4.050 . 4.050 3.855 3.763 3.930 . 0 0 "[ . 1 . 2]" 1
702 1 7 LEU HA 1 8 ILE MD 5.030 . 5.030 4.967 4.813 5.107 0.077 7 0 "[ . 1 . 2]" 1
703 1 8 ILE HB 1 8 ILE MD 3.330 . 3.330 2.464 2.418 2.522 . 0 0 "[ . 1 . 2]" 1
704 1 36 ILE MG 1 47 ILE HA 3.830 . 3.830 3.330 3.098 3.519 . 0 0 "[ . 1 . 2]" 1
705 1 36 ILE MG 1 38 CYS HA 4.570 . 4.570 3.709 3.567 3.919 . 0 0 "[ . 1 . 2]" 1
706 1 36 ILE HA 1 36 ILE MG 3.360 . 3.360 2.288 2.256 2.328 . 0 0 "[ . 1 . 2]" 1
707 1 36 ILE MG 1 48 THR HA 4.670 . 4.670 3.658 3.538 3.776 . 0 0 "[ . 1 . 2]" 1
708 1 36 ILE MG 1 49 VAL HA 4.130 . 4.130 2.635 2.493 2.793 . 0 0 "[ . 1 . 2]" 1
709 1 18 VAL HB 1 36 ILE MG 4.610 . 4.610 4.166 3.920 4.546 . 0 0 "[ . 1 . 2]" 1
710 1 36 ILE MG 1 37 ILE HB 5.010 . 5.010 4.162 4.082 4.329 . 0 0 "[ . 1 . 2]" 1
711 1 36 ILE MG 1 47 ILE HB 2.840 . 2.840 2.065 1.845 2.375 . 0 0 "[ . 1 . 2]" 1
712 1 36 ILE HG13 1 36 ILE MG 3.590 . 3.590 2.774 2.666 3.132 . 0 0 "[ . 1 . 2]" 1
713 1 36 ILE MG 1 49 VAL MG2 4.710 . 4.710 3.768 3.612 3.896 . 0 0 "[ . 1 . 2]" 1
714 1 26 ILE HA 1 26 ILE MD 4.290 . 4.290 3.665 3.638 3.691 . 0 0 "[ . 1 . 2]" 1
715 1 26 ILE HB 1 26 ILE MD 3.230 . 3.230 2.372 2.354 2.406 . 0 0 "[ . 1 . 2]" 1
716 1 32 VAL MG2 1 57 LYS QD 4.870 . 4.870 2.785 2.058 4.128 . 0 0 "[ . 1 . 2]" 1
717 1 36 ILE HG12 1 49 VAL HB 4.850 . 4.850 2.817 2.295 3.243 . 0 0 "[ . 1 . 2]" 1
718 1 19 VAL HA 1 19 VAL MG1 3.250 . 3.250 2.684 2.356 3.227 . 0 0 "[ . 1 . 2]" 1
719 1 7 LEU HA 1 7 LEU MD2 4.620 . 4.620 3.059 1.947 3.933 . 0 0 "[ . 1 . 2]" 1
720 1 47 ILE HA 1 47 ILE MG 3.120 . 3.120 2.360 2.201 2.438 . 0 0 "[ . 1 . 2]" 1
721 1 7 LEU HB2 1 47 ILE MG 5.020 . 5.020 4.565 3.945 5.065 0.045 5 0 "[ . 1 . 2]" 1
722 1 47 ILE HG12 1 47 ILE MG 3.380 . 3.380 2.166 2.137 2.269 . 0 0 "[ . 1 . 2]" 1
723 1 7 LEU HB3 1 47 ILE MG 4.930 . 4.930 4.589 4.004 4.971 0.041 5 0 "[ . 1 . 2]" 1
724 1 20 CYS HB3 1 47 ILE MG 5.170 . 5.170 3.933 3.548 4.434 . 0 0 "[ . 1 . 2]" 1
725 1 47 ILE MD 1 47 ILE MG 3.200 . 3.200 3.137 3.080 3.247 0.047 19 0 "[ . 1 . 2]" 1
726 1 40 LYS HA 1 40 LYS QD 4.830 . 4.830 3.457 2.073 4.223 . 0 0 "[ . 1 . 2]" 1
727 1 40 LYS QD 1 43 SER HA 5.680 . 5.680 4.343 2.276 5.261 . 0 0 "[ . 1 . 2]" 1
728 1 35 TYR HE2 1 37 ILE MG 4.370 . 4.370 4.197 4.033 4.304 . 0 0 "[ . 1 . 2]" 1
729 1 25 PRO HA 1 37 ILE MG 4.190 . 4.190 3.598 3.492 3.681 . 0 0 "[ . 1 . 2]" 1
730 1 37 ILE HA 1 37 ILE MG 3.210 . 3.210 2.400 2.364 2.427 . 0 0 "[ . 1 . 2]" 1
731 1 24 GLY HA2 1 37 ILE MG 4.370 . 4.370 3.947 3.766 4.161 . 0 0 "[ . 1 . 2]" 1
732 1 25 PRO QD 1 37 ILE MG 3.690 . 3.690 3.521 2.860 3.715 0.025 12 0 "[ . 1 . 2]" 1
733 1 37 ILE HG13 1 37 ILE MG 3.530 . 3.530 2.601 2.581 2.615 . 0 0 "[ . 1 . 2]" 1
734 1 37 ILE HG12 1 37 ILE MG 2.670 . 2.670 2.187 2.178 2.199 . 0 0 "[ . 1 . 2]" 1
735 1 15 THR MG 1 16 TYR QD 5.420 . 5.420 5.088 4.838 5.316 . 0 0 "[ . 1 . 2]" 1
736 1 10 HIS HA 1 15 THR MG 4.070 . 4.070 3.394 3.140 3.659 . 0 0 "[ . 1 . 2]" 1
737 1 15 THR HA 1 15 THR MG 3.000 . 3.000 2.113 2.054 2.159 . 0 0 "[ . 1 . 2]" 1
738 1 8 ILE HB 1 15 THR MG 3.770 . 3.770 3.523 3.252 3.812 0.042 18 0 "[ . 1 . 2]" 1
739 1 8 ILE HG12 1 15 THR MG 4.990 . 4.990 4.709 4.535 4.812 . 0 0 "[ . 1 . 2]" 1
740 1 8 ILE MD 1 15 THR MG 3.160 . 3.160 3.312 3.214 3.394 0.234 12 0 "[ . 1 . 2]" 1
741 1 8 ILE MG 1 15 THR MG 2.950 . 2.950 1.783 1.732 1.863 0.068 19 0 "[ . 1 . 2]" 1
742 1 61 ILE HA 1 61 ILE MD 3.370 . 3.370 2.269 2.023 2.772 . 0 0 "[ . 1 . 2]" 1
743 1 60 PRO HB2 1 61 ILE MD 3.950 . 3.950 2.577 2.172 2.895 . 0 0 "[ . 1 . 2]" 1
744 1 32 VAL HA 1 32 VAL MG1 3.480 . 3.480 2.361 2.273 3.214 . 0 0 "[ . 1 . 2]" 1
745 1 61 ILE HA 1 61 ILE MG 3.010 . 3.010 2.442 2.337 2.612 . 0 0 "[ . 1 . 2]" 1
746 1 61 ILE HG12 1 61 ILE MG 3.360 . 3.360 2.885 2.283 3.207 . 0 0 "[ . 1 . 2]" 1
747 1 61 ILE HG13 1 61 ILE MG 3.360 . 3.360 2.351 2.290 2.454 . 0 0 "[ . 1 . 2]" 1
748 1 56 THR MG 1 67 LEU HA 2.920 . 2.920 2.163 1.926 2.507 . 0 0 "[ . 1 . 2]" 1
749 1 56 THR MG 1 65 CYS QB 4.100 . 4.100 3.334 3.159 3.563 . 0 0 "[ . 1 . 2]" 1
750 1 56 THR HA 1 67 LEU MD1 5.610 . 5.610 4.067 3.150 5.689 0.079 11 0 "[ . 1 . 2]" 1
751 1 56 THR HA 1 67 LEU MD2 5.610 . 5.610 4.528 3.078 5.786 0.176 10 0 "[ . 1 . 2]" 1
752 1 67 LEU HA 1 67 LEU MD2 4.370 . 4.370 2.809 1.941 3.884 . 0 0 "[ . 1 . 2]" 1
753 1 52 CYS HB3 1 54 ILE MD 5.790 . 5.790 5.801 5.458 5.947 0.157 4 0 "[ . 1 . 2]" 1
754 1 54 ILE HA 1 54 ILE MD 3.840 . 3.840 2.790 2.678 2.948 . 0 0 "[ . 1 . 2]" 1
755 1 54 ILE HA 1 54 ILE MG 3.190 . 3.190 2.554 2.512 2.591 . 0 0 "[ . 1 . 2]" 1
756 1 35 TYR HE2 1 37 ILE HG12 3.900 . 3.900 3.283 3.106 3.430 . 0 0 "[ . 1 . 2]" 1
757 1 37 ILE HG12 1 48 THR HB 4.890 . 4.890 4.461 4.268 4.580 . 0 0 "[ . 1 . 2]" 1
758 1 35 TYR HE2 1 37 ILE MD 3.100 . 3.100 2.636 2.429 2.802 . 0 0 "[ . 1 . 2]" 1
759 1 25 PRO HA 1 37 ILE MD 4.950 . 4.950 4.406 4.309 4.572 . 0 0 "[ . 1 . 2]" 1
760 1 37 ILE HA 1 37 ILE MD 3.720 . 3.720 3.274 3.233 3.353 . 0 0 "[ . 1 . 2]" 1
761 1 37 ILE MD 1 48 THR HB 3.810 . 3.810 2.559 2.400 2.687 . 0 0 "[ . 1 . 2]" 1
762 1 25 PRO HG3 1 37 ILE MD 6.000 . 6.000 5.447 5.058 5.625 . 0 0 "[ . 1 . 2]" 1
763 1 37 ILE MD 1 50 MET HG2 3.290 . 3.290 2.523 2.443 2.588 . 0 0 "[ . 1 . 2]" 1
764 1 37 ILE MD 1 50 MET HG3 3.570 . 3.570 2.118 1.981 2.185 . 0 0 "[ . 1 . 2]" 1
765 1 37 ILE HB 1 37 ILE MD 3.300 . 3.300 2.304 2.291 2.319 . 0 0 "[ . 1 . 2]" 1
766 1 37 ILE MD 1 37 ILE MG 3.180 . 3.180 3.181 3.166 3.195 0.015 14 0 "[ . 1 . 2]" 1
767 1 37 ILE MD 1 50 MET HB2 4.460 . 4.460 2.700 2.597 2.798 . 0 0 "[ . 1 . 2]" 1
768 1 36 ILE HA 1 49 VAL MG1 4.970 . 4.970 4.785 4.738 4.847 . 0 0 "[ . 1 . 2]" 1
769 1 49 VAL HA 1 49 VAL MG1 3.530 . 3.530 3.220 3.211 3.229 . 0 0 "[ . 1 . 2]" 1
770 1 36 ILE MG 1 49 VAL MG1 3.890 . 3.890 3.801 3.704 3.889 . 0 0 "[ . 1 . 2]" 1
771 1 26 ILE HA 1 26 ILE MG 2.990 . 2.990 2.228 2.208 2.239 . 0 0 "[ . 1 . 2]" 1
772 1 26 ILE MG 1 27 PRO HD3 3.730 . 3.730 3.385 3.257 3.448 . 0 0 "[ . 1 . 2]" 1
773 1 26 ILE MG 1 27 PRO HD2 3.600 . 3.600 2.479 2.326 2.627 . 0 0 "[ . 1 . 2]" 1
774 1 26 ILE HG12 1 26 ILE MG 3.600 . 3.600 2.251 2.227 2.273 . 0 0 "[ . 1 . 2]" 1
775 1 26 ILE MD 1 26 ILE MG 3.340 . 3.340 3.244 3.230 3.261 . 0 0 "[ . 1 . 2]" 1
776 1 34 LYS HB2 1 51 PRO HB3 6.000 . 6.000 5.065 4.859 5.350 . 0 0 "[ . 1 . 2]" 1
777 1 34 LYS HB2 1 49 VAL MG2 3.710 . 3.710 3.567 3.420 3.761 0.051 3 0 "[ . 1 . 2]" 1
778 1 34 LYS QG 1 51 PRO HB3 4.700 . 4.700 2.321 2.093 2.590 . 0 0 "[ . 1 . 2]" 1
779 1 34 LYS QG 1 49 VAL MG2 4.260 . 4.260 4.015 3.449 4.293 0.033 19 0 "[ . 1 . 2]" 1
780 1 40 LYS HB2 1 40 LYS HE2 5.310 . 5.310 4.509 3.495 5.401 0.091 13 0 "[ . 1 . 2]" 1
781 1 20 CYS HB3 1 38 CYS HB3 4.260 . 4.260 2.311 1.908 3.209 . 0 0 "[ . 1 . 2]" 1
782 1 35 TYR HA 1 36 ILE HG13 4.330 . 4.330 3.639 2.895 4.005 . 0 0 "[ . 1 . 2]" 1
783 1 36 ILE HG13 1 49 VAL HB 4.700 . 4.700 2.820 2.329 3.814 . 0 0 "[ . 1 . 2]" 1
784 1 54 ILE HG12 1 54 ILE MG 3.390 . 3.390 2.285 2.245 2.316 . 0 0 "[ . 1 . 2]" 1
785 1 35 TYR HE1 1 50 MET HB3 4.910 . 4.910 3.351 3.187 3.508 . 0 0 "[ . 1 . 2]" 1
786 1 20 CYS HB2 1 47 ILE HB 6.000 . 6.000 5.728 4.769 6.110 0.110 19 0 "[ . 1 . 2]" 1
787 1 14 LYS HA 1 14 LYS HG2 3.900 . 3.900 3.083 2.356 3.683 . 0 0 "[ . 1 . 2]" 1
788 1 8 ILE HB 1 17 HIS HA 5.200 . 5.200 5.018 4.810 5.167 . 0 0 "[ . 1 . 2]" 1
789 1 26 ILE HG13 1 36 ILE HB 4.550 . 4.550 4.078 3.871 4.270 . 0 0 "[ . 1 . 2]" 1
790 1 26 ILE MD 1 36 ILE HB 3.610 . 3.610 2.249 2.125 2.457 . 0 0 "[ . 1 . 2]" 1
791 1 32 VAL MG2 1 57 LYS HB3 5.110 . 5.110 2.890 2.315 5.010 . 0 0 "[ . 1 . 2]" 1
792 1 14 LYS HB3 1 16 TYR QE 4.360 . 4.360 3.042 2.389 3.491 . 0 0 "[ . 1 . 2]" 1
793 1 14 LYS HB3 1 14 LYS QD 3.540 . 3.540 2.573 2.243 3.308 . 0 0 "[ . 1 . 2]" 1
794 1 63 ARG HA 1 63 ARG HG2 3.890 . 3.890 2.528 2.433 2.657 . 0 0 "[ . 1 . 2]" 1
795 1 35 TYR HB3 1 35 TYR HD1 3.700 . 3.700 2.633 2.582 2.685 . 0 0 "[ . 1 . 2]" 1
796 1 35 TYR HE2 1 37 ILE HG13 3.840 . 3.840 2.116 1.994 2.215 . 0 0 "[ . 1 . 2]" 1
797 1 37 ILE HA 1 37 ILE HG13 4.210 . 4.210 2.445 2.411 2.483 . 0 0 "[ . 1 . 2]" 1
798 1 25 PRO HB3 1 37 ILE HG13 4.550 . 4.550 2.256 1.940 2.389 . 0 0 "[ . 1 . 2]" 1
799 1 32 VAL MG1 1 57 LYS HB2 4.770 . 4.770 3.436 1.796 4.030 0.004 17 0 "[ . 1 . 2]" 1
800 1 34 LYS HB3 1 51 PRO HB3 5.790 . 5.790 4.161 3.817 4.545 . 0 0 "[ . 1 . 2]" 1
801 1 18 VAL HB 1 47 ILE MG 4.980 . 4.980 4.598 4.180 4.991 0.011 7 0 "[ . 1 . 2]" 1
802 1 7 LEU MD1 1 18 VAL HB 5.920 . 5.920 4.445 2.795 5.442 . 0 0 "[ . 1 . 2]" 1
803 1 7 LEU MD2 1 18 VAL HB 5.920 . 5.920 4.434 3.617 5.217 . 0 0 "[ . 1 . 2]" 1
804 1 35 TYR HB2 1 35 TYR HD2 3.700 . 3.700 2.281 2.256 2.299 . 0 0 "[ . 1 . 2]" 1
805 1 25 PRO HB2 1 35 TYR HE2 3.680 . 3.680 2.673 2.530 2.849 . 0 0 "[ . 1 . 2]" 1
806 1 25 PRO HB2 1 35 TYR HD2 3.900 . 3.900 2.336 2.078 2.551 . 0 0 "[ . 1 . 2]" 1
807 1 14 LYS HB2 1 16 TYR QE 3.940 . 3.940 2.134 1.903 2.401 . 0 0 "[ . 1 . 2]" 1
808 1 35 TYR HE1 1 50 MET HG3 4.520 . 4.520 4.403 4.232 4.529 0.009 20 0 "[ . 1 . 2]" 1
809 1 37 ILE HB 1 50 MET HG3 4.930 . 4.930 4.947 4.874 4.985 0.055 18 0 "[ . 1 . 2]" 1
810 1 37 ILE HG13 1 50 MET HG3 4.840 . 4.840 4.705 4.513 4.827 . 0 0 "[ . 1 . 2]" 1
811 1 37 ILE MG 1 50 MET HG3 5.480 . 5.480 5.465 5.400 5.532 0.052 18 0 "[ . 1 . 2]" 1
812 1 28 HIS HB2 1 35 TYR HA 4.370 . 4.370 2.855 2.638 3.327 . 0 0 "[ . 1 . 2]" 1
813 1 21 HIS HB3 1 22 GLU QG 4.880 . 4.880 3.538 2.700 4.833 . 0 0 "[ . 1 . 2]" 1
814 1 40 LYS HE3 1 43 SER HA 4.740 . 4.740 3.585 2.403 4.884 0.144 1 0 "[ . 1 . 2]" 1
815 1 40 LYS HB3 1 40 LYS HE3 5.310 . 5.310 4.674 3.382 5.473 0.163 4 0 "[ . 1 . 2]" 1
816 1 50 MET HA 1 51 PRO HG2 4.910 . 4.910 4.522 4.319 4.672 . 0 0 "[ . 1 . 2]" 1
817 1 25 PRO HB3 1 35 TYR HE2 3.530 . 3.530 2.366 2.155 2.598 . 0 0 "[ . 1 . 2]" 1
818 1 25 PRO HB3 1 37 ILE MG 4.910 . 4.910 3.093 2.805 3.263 . 0 0 "[ . 1 . 2]" 1
819 1 35 TYR HE1 1 50 MET HG2 5.280 . 5.280 5.272 5.108 5.336 0.056 20 0 "[ . 1 . 2]" 1
820 1 48 THR MG 1 50 MET HG2 4.070 . 4.070 2.317 2.173 2.481 . 0 0 "[ . 1 . 2]" 1
821 1 37 ILE MG 1 50 MET HG2 6.000 . 6.000 5.900 5.821 5.995 . 0 0 "[ . 1 . 2]" 1
822 1 25 PRO HG2 1 63 ARG HA 5.320 . 5.320 3.527 2.860 3.875 . 0 0 "[ . 1 . 2]" 1
823 1 25 PRO HG2 1 26 ILE MG 4.970 . 4.970 4.948 4.879 5.005 0.035 5 0 "[ . 1 . 2]" 1
824 1 60 PRO QG 1 61 ILE HB 4.490 . 4.490 3.978 3.691 4.159 . 0 0 "[ . 1 . 2]" 1
825 1 26 ILE HA 1 27 PRO HG2 4.880 . 4.880 4.626 4.577 4.681 . 0 0 "[ . 1 . 2]" 1
826 1 23 GLU HB2 1 39 SER HA 5.560 . 5.560 4.879 4.048 5.635 0.075 5 0 "[ . 1 . 2]" 1
827 1 16 TYR HB2 1 16 TYR QE 4.860 . 4.860 4.418 4.389 4.451 . 0 0 "[ . 1 . 2]" 1
828 1 16 TYR HB2 1 29 PRO HG2 5.010 . 5.010 4.144 3.509 4.870 . 0 0 "[ . 1 . 2]" 1
829 1 32 VAL HB 1 57 LYS HB2 4.490 . 4.490 2.477 2.101 4.118 . 0 0 "[ . 1 . 2]" 1
830 1 23 GLU QG 1 45 TRP HH2 4.450 . 4.450 3.150 2.288 4.577 0.127 14 0 "[ . 1 . 2]" 1
831 1 33 HIS HA 1 52 CYS HB2 4.700 . 4.700 3.774 3.051 4.736 0.036 1 0 "[ . 1 . 2]" 1
832 1 57 LYS QD 1 68 ASP HB2 5.280 . 5.280 2.731 2.108 3.181 . 0 0 "[ . 1 . 2]" 1
833 1 34 LYS HB3 1 34 LYS QE 4.460 . 4.460 2.791 2.387 3.905 . 0 0 "[ . 1 . 2]" 1
834 1 34 LYS HB2 1 34 LYS QE 4.000 . 4.000 2.640 2.139 4.251 0.251 12 0 "[ . 1 . 2]" 1
835 1 34 LYS QE 1 49 VAL MG2 3.390 . 3.390 2.809 2.312 3.526 0.136 18 0 "[ . 1 . 2]" 1
836 1 16 TYR HB3 1 16 TYR QD 3.500 . 3.500 2.353 2.277 2.405 . 0 0 "[ . 1 . 2]" 1
837 1 16 TYR HB3 1 16 TYR QE 4.750 . 4.750 4.394 4.372 4.414 . 0 0 "[ . 1 . 2]" 1
838 1 23 GLU HA 1 38 CYS HB3 4.060 . 4.060 3.401 2.886 4.056 . 0 0 "[ . 1 . 2]" 1
839 1 40 LYS HA 1 45 TRP QB 4.820 . 4.820 4.249 3.930 4.724 . 0 0 "[ . 1 . 2]" 1
840 1 44 LEU HA 1 45 TRP QB 5.210 . 5.210 4.310 4.251 4.366 . 0 0 "[ . 1 . 2]" 1
841 1 52 CYS HB2 1 65 CYS QB 5.040 . 5.040 3.823 3.417 4.316 . 0 0 "[ . 1 . 2]" 1
842 1 63 ARG HA 1 63 ARG HG3 3.890 . 3.890 3.036 2.858 3.360 . 0 0 "[ . 1 . 2]" 1
843 1 63 ARG HB2 1 63 ARG HD3 4.010 . 4.010 3.352 2.542 3.781 . 0 0 "[ . 1 . 2]" 1
844 1 63 ARG HB2 1 63 ARG HD2 4.010 . 4.010 2.879 2.446 3.712 . 0 0 "[ . 1 . 2]" 1
845 1 63 ARG HB3 1 63 ARG HD3 4.010 . 4.010 3.169 2.417 3.743 . 0 0 "[ . 1 . 2]" 1
846 1 27 PRO HD3 1 60 PRO QD 3.220 . 3.220 2.977 2.717 3.238 0.018 2 0 "[ . 1 . 2]" 1
847 1 27 PRO HA 1 28 HIS HB3 5.380 . 5.380 4.968 4.700 5.168 . 0 0 "[ . 1 . 2]" 1
848 1 50 MET HB3 1 51 PRO QD 4.200 . 4.200 2.578 2.292 2.969 . 0 0 "[ . 1 . 2]" 1
849 1 49 VAL MG1 1 51 PRO QD 5.470 . 5.470 4.643 4.053 5.014 . 0 0 "[ . 1 . 2]" 1
850 1 49 VAL MG2 1 51 PRO QD 5.670 . 5.670 4.094 3.580 4.396 . 0 0 "[ . 1 . 2]" 1
851 1 50 MET HB2 1 51 PRO QD 4.390 . 4.390 3.831 3.638 4.078 . 0 0 "[ . 1 . 2]" 1
852 1 8 ILE MD 1 15 THR HB 4.440 . 4.440 3.979 3.722 4.154 . 0 0 "[ . 1 . 2]" 1
853 1 24 GLY HA3 1 25 PRO QD 3.060 . 3.060 2.541 2.377 2.625 . 0 0 "[ . 1 . 2]" 1
854 1 25 PRO QD 1 63 ARG HD2 4.840 . 4.840 2.789 1.872 3.975 . 0 0 "[ . 1 . 2]" 1
855 1 26 ILE HG12 1 27 PRO HD2 4.750 . 4.750 4.559 4.511 4.672 . 0 0 "[ . 1 . 2]" 1
856 1 26 ILE HB 1 27 PRO HD2 3.280 . 3.280 2.053 1.991 2.150 . 0 0 "[ . 1 . 2]" 1
857 1 56 THR HB 1 65 CYS QB 3.700 . 3.700 2.366 2.034 2.810 . 0 0 "[ . 1 . 2]" 1
858 1 54 ILE HA 1 54 ILE HG13 3.840 . 3.840 2.390 2.345 2.440 . 0 0 "[ . 1 . 2]" 1
859 1 54 ILE HA 1 54 ILE HG12 4.030 . 4.030 3.648 3.624 3.677 . 0 0 "[ . 1 . 2]" 1
860 1 67 LEU HA 1 67 LEU MD1 4.370 . 4.370 2.585 2.005 3.829 . 0 0 "[ . 1 . 2]" 1
861 1 11 GLU HA 1 12 GLY QA 4.600 . 4.600 3.900 3.878 3.920 . 0 0 "[ . 1 . 2]" 1
862 1 11 GLU QG 1 12 GLY QA 5.580 . 5.580 5.139 3.562 5.614 0.034 1 0 "[ . 1 . 2]" 1
863 1 23 GLU HA 1 24 GLY HA2 4.770 . 4.770 4.434 4.314 4.568 . 0 0 "[ . 1 . 2]" 1
864 1 24 GLY HA2 1 25 PRO QD 3.250 . 3.250 2.126 2.061 2.219 . 0 0 "[ . 1 . 2]" 1
865 1 60 PRO HA 1 63 ARG HA 4.590 . 4.590 3.961 3.725 4.300 . 0 0 "[ . 1 . 2]" 1
866 1 27 PRO HA 1 35 TYR HA 4.140 . 4.140 2.343 2.080 2.487 . 0 0 "[ . 1 . 2]" 1
867 1 61 ILE MG 1 62 SER HA 4.100 . 4.100 3.319 2.986 3.548 . 0 0 "[ . 1 . 2]" 1
868 1 52 CYS HB3 1 65 CYS QB 4.260 . 4.260 2.941 2.196 4.059 . 0 0 "[ . 1 . 2]" 1
869 1 18 VAL HA 1 19 VAL HA 4.880 . 4.880 4.379 4.352 4.403 . 0 0 "[ . 1 . 2]" 1
870 1 18 VAL MG1 1 19 VAL HA 5.510 . 5.510 3.592 3.348 3.750 . 0 0 "[ . 1 . 2]" 1
871 1 36 ILE HA 1 49 VAL HA 3.540 . 3.540 2.030 1.965 2.086 . 0 0 "[ . 1 . 2]" 1
872 1 48 THR HA 1 49 VAL HA 4.430 . 4.430 4.376 4.353 4.388 . 0 0 "[ . 1 . 2]" 1
873 1 36 ILE HG13 1 49 VAL HA 4.520 . 4.520 2.849 2.510 3.607 . 0 0 "[ . 1 . 2]" 1
874 1 49 VAL HA 1 49 VAL MG2 3.150 . 3.150 2.441 2.404 2.466 . 0 0 "[ . 1 . 2]" 1
875 1 43 SER HA 1 43 SER QB 2.740 . 2.740 2.331 2.178 2.423 . 0 0 "[ . 1 . 2]" 1
876 1 40 LYS HE2 1 43 SER HA 4.740 . 4.740 3.016 2.052 3.803 . 0 0 "[ . 1 . 2]" 1
877 1 35 TYR HE2 1 37 ILE HA 5.100 . 5.100 4.036 3.962 4.101 . 0 0 "[ . 1 . 2]" 1
878 1 35 TYR HD2 1 37 ILE HA 5.580 . 5.580 4.046 3.879 4.150 . 0 0 "[ . 1 . 2]" 1
879 1 25 PRO HB3 1 37 ILE HA 4.360 . 4.360 2.818 2.360 3.027 . 0 0 "[ . 1 . 2]" 1
880 1 37 ILE HA 1 37 ILE HG12 4.010 . 4.010 3.639 3.618 3.662 . 0 0 "[ . 1 . 2]" 1
881 1 53 SER HA 1 54 ILE MD 4.530 . 4.530 2.906 2.790 3.009 . 0 0 "[ . 1 . 2]" 1
882 1 19 VAL HA 1 20 CYS HA 4.630 . 4.630 4.364 4.311 4.419 . 0 0 "[ . 1 . 2]" 1
883 1 23 GLU HA 1 45 TRP HH2 4.310 . 4.310 3.600 3.187 4.115 . 0 0 "[ . 1 . 2]" 1
884 1 23 GLU HA 1 24 GLY HA3 4.930 . 4.930 4.377 4.345 4.408 . 0 0 "[ . 1 . 2]" 1
885 1 23 GLU HA 1 38 CYS HB2 4.060 . 4.060 2.850 2.392 3.548 . 0 0 "[ . 1 . 2]" 1
886 1 23 GLU HA 1 23 GLU QG 3.800 . 3.800 2.425 2.342 2.490 . 0 0 "[ . 1 . 2]" 1
887 1 7 LEU HA 1 7 LEU HG 3.960 . 3.960 3.342 2.952 3.757 . 0 0 "[ . 1 . 2]" 1
888 1 47 ILE HA 1 48 THR HA 4.730 . 4.730 4.444 4.393 4.489 . 0 0 "[ . 1 . 2]" 1
889 1 47 ILE HB 1 48 THR HA 4.640 . 4.640 4.399 4.065 4.586 . 0 0 "[ . 1 . 2]" 1
890 1 48 THR HA 1 49 VAL MG1 4.310 . 4.310 3.697 3.627 3.758 . 0 0 "[ . 1 . 2]" 1
891 1 27 PRO HB3 1 35 TYR HA 5.270 . 5.270 4.569 4.320 4.698 . 0 0 "[ . 1 . 2]" 1
892 1 32 VAL HA 1 57 LYS HB2 5.420 . 5.420 4.472 4.174 4.958 . 0 0 "[ . 1 . 2]" 1
893 1 32 VAL HA 1 32 VAL MG2 3.480 . 3.480 3.049 2.313 3.214 . 0 0 "[ . 1 . 2]" 1
894 1 43 SER HA 1 44 LEU HA 4.590 . 4.590 4.525 4.462 4.590 . 0 0 "[ . 1 . 2]" 1
895 1 14 LYS HA 1 14 LYS HG3 3.900 . 3.900 3.526 2.422 3.786 . 0 0 "[ . 1 . 2]" 1
896 1 67 LEU HA 1 68 ASP HA 4.750 . 4.750 4.363 4.305 4.390 . 0 0 "[ . 1 . 2]" 1
897 1 57 LYS QD 1 68 ASP HA 3.740 . 3.740 2.730 2.379 3.065 . 0 0 "[ . 1 . 2]" 1
898 1 66 VAL MG2 1 68 ASP HA 4.170 . 4.170 3.887 3.551 4.101 . 0 0 "[ . 1 . 2]" 1
899 1 39 SER HA 1 40 LYS HA 4.490 . 4.490 4.356 4.316 4.382 . 0 0 "[ . 1 . 2]" 1
900 1 35 TYR HD2 1 36 ILE HA 4.830 . 4.830 4.329 4.081 4.528 . 0 0 "[ . 1 . 2]" 1
901 1 66 VAL HA 1 67 LEU HA 4.750 . 4.750 4.294 4.259 4.334 . 0 0 "[ . 1 . 2]" 1
902 1 56 THR HB 1 66 VAL HA 4.740 . 4.740 3.983 3.787 4.252 . 0 0 "[ . 1 . 2]" 1
903 1 66 VAL HA 1 66 VAL HB 2.990 . 2.990 2.464 2.446 2.478 . 0 0 "[ . 1 . 2]" 1
904 1 36 ILE HA 1 37 ILE HB 4.910 . 4.910 4.692 4.640 4.763 . 0 0 "[ . 1 . 2]" 1
905 1 36 ILE HA 1 37 ILE HG13 5.010 . 5.010 4.684 4.557 4.744 . 0 0 "[ . 1 . 2]" 1
906 1 36 ILE HA 1 36 ILE HG13 4.200 . 4.200 2.655 2.522 2.921 . 0 0 "[ . 1 . 2]" 1
907 1 36 ILE HA 1 37 ILE MD 4.040 . 4.040 2.798 2.722 2.847 . 0 0 "[ . 1 . 2]" 1
908 1 66 VAL HA 1 66 VAL MG1 2.930 . 2.930 2.370 2.338 2.407 . 0 0 "[ . 1 . 2]" 1
909 1 16 TYR HA 1 17 HIS HD2 4.750 . 4.750 3.195 2.809 3.495 . 0 0 "[ . 1 . 2]" 1
910 1 16 TYR HA 1 16 TYR QD 4.040 . 4.040 3.008 2.848 3.131 . 0 0 "[ . 1 . 2]" 1
911 1 16 TYR HA 1 16 TYR QE 5.760 . 5.760 4.625 4.527 4.731 . 0 0 "[ . 1 . 2]" 1
912 1 15 THR MG 1 16 TYR HA 5.220 . 5.220 4.957 4.810 5.085 . 0 0 "[ . 1 . 2]" 1
913 1 15 THR HA 1 16 TYR QD 4.500 . 4.500 3.710 3.346 4.062 . 0 0 "[ . 1 . 2]" 1
914 1 10 HIS HA 1 15 THR HA 3.210 . 3.210 2.561 2.245 2.875 . 0 0 "[ . 1 . 2]" 1
915 1 9 VAL HA 1 15 THR HA 5.250 . 5.250 5.129 4.869 5.294 0.044 20 0 "[ . 1 . 2]" 1
916 1 8 ILE MD 1 15 THR HA 6.000 . 6.000 5.631 5.449 5.874 . 0 0 "[ . 1 . 2]" 1
917 1 9 VAL QG 1 15 THR HA 6.000 . 6.000 4.195 3.999 4.502 . 0 0 "[ . 1 . 2]" 1
918 1 8 ILE MG 1 15 THR HA 4.670 . 4.670 3.202 3.033 3.378 . 0 0 "[ . 1 . 2]" 1
919 1 58 PHE HA 1 64 ASN HA 4.960 . 4.960 4.765 4.597 4.929 . 0 0 "[ . 1 . 2]" 1
920 1 63 ARG HA 1 64 ASN HA 4.740 . 4.740 4.275 4.214 4.326 . 0 0 "[ . 1 . 2]" 1
921 1 6 ASP HA 1 19 VAL MG1 4.580 . 4.580 4.149 3.575 4.645 0.065 1 0 "[ . 1 . 2]" 1
922 1 8 ILE HA 1 17 HIS HA 3.460 . 3.460 2.270 2.166 2.374 . 0 0 "[ . 1 . 2]" 1
923 1 22 GLU HA 1 45 TRP HZ2 4.750 . 4.750 4.208 3.555 4.758 0.008 7 0 "[ . 1 . 2]" 1
924 1 22 GLU HA 1 45 TRP HH2 3.370 . 3.370 2.519 1.984 2.909 . 0 0 "[ . 1 . 2]" 1
925 1 22 GLU HA 1 23 GLU HA 4.720 . 4.720 4.318 4.261 4.367 . 0 0 "[ . 1 . 2]" 1
926 1 57 LYS HA 1 65 CYS QB 5.430 . 5.430 4.305 3.673 4.618 . 0 0 "[ . 1 . 2]" 1
927 1 57 LYS HA 1 58 PHE HB2 4.560 . 4.560 4.307 4.220 4.412 . 0 0 "[ . 1 . 2]" 1
928 1 22 GLU HA 1 22 GLU QG 3.730 . 3.730 2.820 2.377 3.352 . 0 0 "[ . 1 . 2]" 1
929 1 57 LYS HA 1 57 LYS QD 4.470 . 4.470 4.267 4.232 4.293 . 0 0 "[ . 1 . 2]" 1
930 1 45 TRP HA 1 46 TYR HA 4.660 . 4.660 4.386 4.365 4.407 . 0 0 "[ . 1 . 2]" 1
931 1 34 LYS HA 1 51 PRO HA 3.290 . 3.290 2.082 2.000 2.307 . 0 0 "[ . 1 . 2]" 1
932 1 34 LYS HB3 1 51 PRO HA 4.240 . 4.240 3.029 2.804 3.413 . 0 0 "[ . 1 . 2]" 1
933 1 34 LYS QD 1 51 PRO HA 4.500 . 4.500 3.088 2.606 3.880 . 0 0 "[ . 1 . 2]" 1
934 1 34 LYS QG 1 51 PRO HA 3.510 . 3.510 1.927 1.833 2.028 . 0 0 "[ . 1 . 2]" 1
935 1 49 VAL MG2 1 51 PRO HA 4.590 . 4.590 4.415 4.123 4.566 . 0 0 "[ . 1 . 2]" 1
936 1 26 ILE HA 1 27 PRO HD3 3.320 . 3.320 2.543 2.484 2.591 . 0 0 "[ . 1 . 2]" 1
937 1 26 ILE HA 1 27 PRO HD2 3.660 . 3.660 2.515 2.452 2.593 . 0 0 "[ . 1 . 2]" 1
938 1 26 ILE HA 1 60 PRO HB3 5.760 . 5.760 3.833 3.349 4.257 . 0 0 "[ . 1 . 2]" 1
939 1 25 PRO HB2 1 26 ILE HA 5.000 . 5.000 4.225 4.192 4.257 . 0 0 "[ . 1 . 2]" 1
940 1 26 ILE HA 1 35 TYR HB2 5.500 . 5.500 4.082 3.932 4.184 . 0 0 "[ . 1 . 2]" 1
941 1 23 GLU QG 1 39 SER HA 4.380 . 4.380 3.075 1.875 4.435 0.055 5 0 "[ . 1 . 2]" 1
942 1 23 GLU HB3 1 39 SER HA 5.560 . 5.560 3.613 2.874 5.257 . 0 0 "[ . 1 . 2]" 1
943 1 37 ILE MG 1 39 SER HA 4.590 . 4.590 4.330 4.043 4.593 0.003 9 0 "[ . 1 . 2]" 1
944 1 49 VAL HA 1 50 MET HA 4.790 . 4.790 4.370 4.347 4.390 . 0 0 "[ . 1 . 2]" 1
945 1 50 MET HA 1 51 PRO QD 3.090 . 3.090 1.978 1.957 2.016 . 0 0 "[ . 1 . 2]" 1
946 1 50 MET HA 1 50 MET HG2 4.130 . 4.130 2.895 2.859 2.943 . 0 0 "[ . 1 . 2]" 1
947 1 49 VAL MG1 1 50 MET HA 4.250 . 4.250 4.267 4.139 4.307 0.057 10 0 "[ . 1 . 2]" 1
948 1 38 CYS HA 1 47 ILE HA 3.960 . 3.960 2.748 2.478 2.918 . 0 0 "[ . 1 . 2]" 1
949 1 38 CYS HA 1 47 ILE MG 3.330 . 3.330 2.171 1.925 2.879 . 0 0 "[ . 1 . 2]" 1
950 1 34 LYS HA 1 34 LYS QG 3.850 . 3.850 2.359 2.305 2.432 . 0 0 "[ . 1 . 2]" 1
951 1 34 LYS HA 1 49 VAL MG2 4.890 . 4.890 4.487 4.212 4.689 . 0 0 "[ . 1 . 2]" 1
952 1 52 CYS HA 1 53 SER HA 4.910 . 4.910 4.301 4.270 4.332 . 0 0 "[ . 1 . 2]" 1
953 1 52 CYS HA 1 65 CYS QB 5.090 . 5.090 4.449 3.845 5.226 0.136 2 0 "[ . 1 . 2]" 1
954 1 40 LYS HA 1 45 TRP HA 3.280 . 3.280 2.401 2.163 2.882 . 0 0 "[ . 1 . 2]" 1
955 1 58 PHE HA 1 65 CYS HA 3.160 . 3.160 2.021 1.895 2.231 . 0 0 "[ . 1 . 2]" 1
956 1 52 CYS HB3 1 65 CYS HA 5.590 . 5.590 4.886 4.291 5.573 . 0 0 "[ . 1 . 2]" 1
957 1 56 THR HB 1 65 CYS HA 4.460 . 4.460 3.981 3.739 4.159 . 0 0 "[ . 1 . 2]" 1
958 1 65 CYS HA 1 66 VAL MG2 4.250 . 4.250 3.669 3.633 3.741 . 0 0 "[ . 1 . 2]" 1
959 1 65 CYS HA 1 66 VAL MG1 4.440 . 4.440 3.666 3.581 3.752 . 0 0 "[ . 1 . 2]" 1
960 1 56 THR HA 1 67 LEU HA 3.250 . 3.250 2.623 2.359 3.001 . 0 0 "[ . 1 . 2]" 1
961 1 56 THR HA 1 57 LYS HB2 6.000 . 6.000 5.613 5.583 5.641 . 0 0 "[ . 1 . 2]" 1
962 1 56 THR HA 1 67 LEU HB2 6.000 . 6.000 5.200 4.852 5.765 . 0 0 "[ . 1 . 2]" 1
963 1 56 THR HA 1 67 LEU HB3 6.000 . 6.000 5.334 4.727 5.704 . 0 0 "[ . 1 . 2]" 1
964 1 56 THR HA 1 56 THR MG 3.030 . 3.030 2.370 2.311 2.430 . 0 0 "[ . 1 . 2]" 1
965 1 10 HIS HA 1 10 HIS HD2 4.900 . 4.900 3.885 2.330 4.418 . 0 0 "[ . 1 . 2]" 1
966 1 10 HIS HA 1 16 TYR QD 4.740 . 4.740 3.917 3.574 4.443 . 0 0 "[ . 1 . 2]" 1
967 1 10 HIS HA 1 13 GLY HA2 6.000 . 6.000 5.065 4.481 5.830 . 0 0 "[ . 1 . 2]" 1
968 1 10 HIS HA 1 15 THR HB 6.000 . 6.000 5.302 5.055 5.531 . 0 0 "[ . 1 . 2]" 1
969 1 25 PRO HA 1 35 TYR HE2 4.530 . 4.530 4.043 3.848 4.302 . 0 0 "[ . 1 . 2]" 1
970 1 25 PRO HA 1 35 TYR HD2 4.760 . 4.760 3.335 3.202 3.507 . 0 0 "[ . 1 . 2]" 1
971 1 25 PRO HA 1 26 ILE HA 4.900 . 4.900 4.419 4.387 4.440 . 0 0 "[ . 1 . 2]" 1
972 1 25 PRO HA 1 37 ILE HA 3.330 . 3.330 2.050 1.882 2.151 . 0 0 "[ . 1 . 2]" 1
973 1 25 PRO HA 1 37 ILE HG13 4.850 . 4.850 3.439 3.333 3.542 . 0 0 "[ . 1 . 2]" 1
974 1 25 PRO HA 1 26 ILE HG13 3.740 . 3.740 3.457 3.395 3.518 . 0 0 "[ . 1 . 2]" 1
975 1 40 LYS HB3 1 40 LYS HE2 5.310 . 5.310 4.501 4.284 4.996 . 0 0 "[ . 1 . 2]" 1
976 1 25 PRO HA 1 37 ILE HG12 4.990 . 4.990 4.998 4.923 5.041 0.051 18 0 "[ . 1 . 2]" 1
977 1 36 ILE MG 1 50 MET ME 5.560 . 5.560 5.659 5.611 5.703 0.143 3 0 "[ . 1 . 2]" 1
978 1 28 HIS HA 1 29 PRO HG2 4.990 . 4.990 4.200 4.147 4.259 . 0 0 "[ . 1 . 2]" 1
979 1 33 HIS HA 1 34 LYS QG 5.480 . 5.480 4.614 4.467 4.827 . 0 0 "[ . 1 . 2]" 1
980 1 18 VAL MG2 1 19 VAL HA 5.510 . 5.510 5.508 5.465 5.532 0.022 19 0 "[ . 1 . 2]" 1
981 1 14 LYS HB2 1 16 TYR QD 4.570 . 4.570 3.618 3.242 4.081 . 0 0 "[ . 1 . 2]" 1
982 1 9 VAL QG 1 49 VAL HB 4.800 . 4.800 3.503 3.177 3.812 . 0 0 "[ . 1 . 2]" 1
983 1 28 HIS HD2 1 49 VAL HB 4.500 . 4.500 3.373 2.919 4.098 . 0 0 "[ . 1 . 2]" 1
984 1 4 GLY QA 1 5 SER HA 4.340 . 4.340 4.037 3.959 4.133 . 0 0 "[ . 1 . 2]" 1
985 1 28 HIS HA 1 29 PRO HD2 3.390 . 3.390 2.015 1.959 2.070 . 0 0 "[ . 1 . 2]" 1
986 1 29 PRO HD2 1 36 ILE MD 3.580 . 3.580 2.468 2.144 2.745 . 0 0 "[ . 1 . 2]" 1
987 1 28 HIS HA 1 29 PRO HD3 3.390 . 3.390 2.529 2.444 2.619 . 0 0 "[ . 1 . 2]" 1
988 1 29 PRO HD3 1 36 ILE MD 3.580 . 3.580 2.954 2.565 3.205 . 0 0 "[ . 1 . 2]" 1
989 1 2 PRO QB 1 3 LEU H 4.090 . 4.090 3.311 2.463 3.993 . 0 0 "[ . 1 . 2]" 1
990 1 3 LEU HA 1 3 LEU QD 3.810 . 3.810 2.344 1.905 3.437 . 0 0 "[ . 1 . 2]" 1
991 1 3 LEU QD 1 4 GLY QA 5.790 . 5.790 4.327 3.002 5.000 . 0 0 "[ . 1 . 2]" 1
992 1 3 LEU QD 1 5 SER QB 4.280 . 4.280 3.758 2.107 4.453 0.173 4 0 "[ . 1 . 2]" 1
993 1 3 LEU QD 1 6 ASP H 4.800 . 4.800 3.759 1.813 5.058 0.258 5 0 "[ . 1 . 2]" 1
994 1 4 GLY QA 1 44 LEU QD 5.920 . 5.920 4.000 2.655 5.060 . 0 0 "[ . 1 . 2]" 1
995 1 6 ASP H 1 6 ASP QB 3.430 . 3.430 2.903 2.565 3.279 . 0 0 "[ . 1 . 2]" 1
996 1 6 ASP HA 1 19 VAL QG 3.830 . 3.830 2.886 2.256 3.638 . 0 0 "[ . 1 . 2]" 1
997 1 6 ASP QB 1 8 ILE QG 5.470 . 5.470 4.579 4.193 4.902 . 0 0 "[ . 1 . 2]" 1
998 1 6 ASP QB 1 8 ILE MD 5.330 . 5.330 5.327 4.668 5.491 0.161 12 0 "[ . 1 . 2]" 1
999 1 6 ASP QB 1 19 VAL QG 4.320 . 4.320 2.718 1.900 3.447 . 0 0 "[ . 1 . 2]" 1
1000 1 7 LEU H 1 7 LEU QD 4.350 . 4.350 3.818 3.692 4.009 . 0 0 "[ . 1 . 2]" 1
1001 1 7 LEU H 1 18 VAL QG 4.180 . 4.180 3.660 3.484 3.910 . 0 0 "[ . 1 . 2]" 1
1002 1 7 LEU HA 1 7 LEU QD 4.030 . 4.030 2.064 1.927 2.209 . 0 0 "[ . 1 . 2]" 1
1003 1 7 LEU HA 1 8 ILE QG 4.290 . 4.290 3.411 3.253 3.579 . 0 0 "[ . 1 . 2]" 1
1004 1 7 LEU HA 1 47 ILE QG 5.680 . 5.680 5.167 4.715 5.608 . 0 0 "[ . 1 . 2]" 1
1005 1 7 LEU HB3 1 18 VAL QG 3.620 . 3.620 3.265 2.991 3.481 . 0 0 "[ . 1 . 2]" 1
1006 1 7 LEU HB3 1 47 ILE QG 4.390 . 4.390 3.078 2.660 3.494 . 0 0 "[ . 1 . 2]" 1
1007 1 7 LEU HG 1 18 VAL QG 4.640 . 4.640 4.389 4.033 4.692 0.052 20 0 "[ . 1 . 2]" 1
1008 1 7 LEU QD 1 8 ILE H 4.250 . 4.250 2.198 1.872 2.464 . 0 0 "[ . 1 . 2]" 1
1009 1 7 LEU QD 1 8 ILE HA 4.350 . 4.350 3.951 3.298 4.431 0.081 2 0 "[ . 1 . 2]" 1
1010 1 7 LEU QD 1 8 ILE QG 4.900 . 4.900 3.730 3.426 3.978 . 0 0 "[ . 1 . 2]" 1
1011 1 7 LEU QD 1 18 VAL H 4.960 . 4.960 4.520 3.806 5.004 0.044 16 0 "[ . 1 . 2]" 1
1012 1 7 LEU QD 1 18 VAL HB 4.990 . 4.990 3.612 2.777 4.123 . 0 0 "[ . 1 . 2]" 1
1013 1 7 LEU QD 1 47 ILE QG 4.150 . 4.150 3.115 2.686 3.687 . 0 0 "[ . 1 . 2]" 1
1014 1 7 LEU QD 1 47 ILE MD 2.830 . 2.830 1.989 1.761 2.549 0.039 14 0 "[ . 1 . 2]" 1
1015 1 7 LEU QD 1 49 VAL H 4.820 . 4.820 4.845 4.674 4.973 0.153 17 0 "[ . 1 . 2]" 1
1016 1 7 LEU QD 1 49 VAL MG1 3.660 . 3.660 3.686 3.509 3.815 0.155 4 0 "[ . 1 . 2]" 1
1017 1 8 ILE HA 1 8 ILE QG 3.470 . 3.470 2.538 2.416 2.655 . 0 0 "[ . 1 . 2]" 1
1018 1 8 ILE QG 1 8 ILE MG 3.180 . 3.180 2.317 2.268 2.375 . 0 0 "[ . 1 . 2]" 1
1019 1 8 ILE QG 1 17 HIS H 5.810 . 5.810 5.251 4.915 5.602 . 0 0 "[ . 1 . 2]" 1
1020 1 8 ILE QG 1 17 HIS HA 5.080 . 5.080 3.166 2.900 3.402 . 0 0 "[ . 1 . 2]" 1
1021 1 10 HIS H 1 10 HIS QB 3.260 . 3.260 2.614 2.340 3.149 . 0 0 "[ . 1 . 2]" 1
1022 1 10 HIS QB 1 11 GLU H 3.590 . 3.590 3.447 3.186 3.628 0.038 6 0 "[ . 1 . 2]" 1
1023 1 10 HIS QB 1 15 THR HA 5.050 . 5.050 4.259 3.353 4.806 . 0 0 "[ . 1 . 2]" 1
1024 1 11 GLU QB 1 12 GLY QA 4.770 . 4.770 3.981 3.822 4.251 . 0 0 "[ . 1 . 2]" 1
1025 1 11 GLU QB 1 16 TYR QD 4.670 . 4.670 2.368 2.022 2.725 . 0 0 "[ . 1 . 2]" 1
1026 1 11 GLU QB 1 16 TYR QE 3.630 . 3.630 2.374 2.014 2.854 . 0 0 "[ . 1 . 2]" 1
1027 1 11 GLU QB 1 30 GLY HA2 5.810 . 5.810 4.750 3.586 5.827 0.017 20 0 "[ . 1 . 2]" 1
1028 1 11 GLU QB 1 30 GLY HA3 4.660 . 4.660 3.550 2.748 4.428 . 0 0 "[ . 1 . 2]" 1
1029 1 11 GLU QB 1 31 ASN H 5.240 . 5.240 4.910 4.004 5.364 0.124 10 0 "[ . 1 . 2]" 1
1030 1 11 GLU QB 1 31 ASN QB 4.760 . 4.760 4.268 2.609 5.030 0.270 2 0 "[ . 1 . 2]" 1
1031 1 11 GLU QB 1 31 ASN QD 4.960 . 4.960 3.120 1.980 5.075 0.115 2 0 "[ . 1 . 2]" 1
1032 1 11 GLU QG 1 31 ASN QD 3.490 . 3.490 2.827 1.752 3.548 0.058 3 0 "[ . 1 . 2]" 1
1033 1 14 LYS HA 1 14 LYS QG 3.370 . 3.370 2.802 2.286 3.001 . 0 0 "[ . 1 . 2]" 1
1034 1 14 LYS QG 1 15 THR H 4.560 . 4.560 4.317 3.369 4.640 0.080 18 0 "[ . 1 . 2]" 1
1035 1 17 HIS H 1 18 VAL QG 5.580 . 5.580 4.508 4.345 4.640 . 0 0 "[ . 1 . 2]" 1
1036 1 17 HIS HA 1 18 VAL QG 4.610 . 4.610 3.444 3.371 3.508 . 0 0 "[ . 1 . 2]" 1
1037 1 18 VAL H 1 18 VAL QG 3.220 . 3.220 2.619 2.540 2.708 . 0 0 "[ . 1 . 2]" 1
1038 1 18 VAL H 1 19 VAL QG 5.160 . 5.160 4.043 3.549 4.767 . 0 0 "[ . 1 . 2]" 1
1039 1 18 VAL HA 1 19 VAL QG 4.060 . 4.060 3.570 3.468 3.650 . 0 0 "[ . 1 . 2]" 1
1040 1 18 VAL HB 1 47 ILE QG 5.810 . 5.810 3.972 3.533 4.768 . 0 0 "[ . 1 . 2]" 1
1041 1 18 VAL QG 1 19 VAL H 3.450 . 3.450 2.761 2.608 2.818 . 0 0 "[ . 1 . 2]" 1
1042 1 18 VAL QG 1 19 VAL HA 4.420 . 4.420 3.548 3.319 3.693 . 0 0 "[ . 1 . 2]" 1
1043 1 18 VAL QG 1 19 VAL HB 4.820 . 4.820 4.767 4.611 4.845 0.025 3 0 "[ . 1 . 2]" 1
1044 1 18 VAL QG 1 20 CYS H 5.060 . 5.060 4.240 3.859 4.425 . 0 0 "[ . 1 . 2]" 1
1045 1 18 VAL QG 1 28 HIS HA 4.180 . 4.180 3.913 3.689 4.212 0.032 9 0 "[ . 1 . 2]" 1
1046 1 18 VAL QG 1 28 HIS HD2 4.390 . 4.390 3.061 2.443 3.723 . 0 0 "[ . 1 . 2]" 1
1047 1 18 VAL QG 1 29 PRO HG2 4.840 . 4.840 3.508 2.856 4.143 . 0 0 "[ . 1 . 2]" 1
1048 1 18 VAL QG 1 29 PRO HG3 4.050 . 4.050 3.354 2.532 4.059 0.009 2 0 "[ . 1 . 2]" 1
1049 1 18 VAL QG 1 29 PRO QD 3.190 . 3.190 2.824 2.389 3.234 0.044 2 0 "[ . 1 . 2]" 1
1050 1 18 VAL QG 1 36 ILE HG12 3.160 . 3.160 2.174 1.840 2.985 . 0 0 "[ . 1 . 2]" 1
1051 1 18 VAL QG 1 47 ILE HB 4.170 . 4.170 3.418 2.841 3.855 . 0 0 "[ . 1 . 2]" 1
1052 1 18 VAL QG 1 49 VAL HB 5.350 . 5.350 3.433 2.968 3.673 . 0 0 "[ . 1 . 2]" 1
1053 1 18 VAL QG 1 49 VAL MG1 5.130 . 5.130 3.876 3.247 4.166 . 0 0 "[ . 1 . 2]" 1
1054 1 19 VAL H 1 19 VAL QG 3.190 . 3.190 2.539 2.073 2.866 . 0 0 "[ . 1 . 2]" 1
1055 1 19 VAL QG 1 20 CYS H 3.220 . 3.220 2.528 2.341 2.718 . 0 0 "[ . 1 . 2]" 1
1056 1 19 VAL QG 1 20 CYS HA 4.870 . 4.870 3.598 3.214 3.894 . 0 0 "[ . 1 . 2]" 1
1057 1 20 CYS HA 1 38 CYS QB 4.940 . 4.940 4.246 3.952 4.968 0.028 5 0 "[ . 1 . 2]" 1
1058 1 20 CYS HB2 1 38 CYS QB 4.560 . 4.560 2.937 2.265 3.463 . 0 0 "[ . 1 . 2]" 1
1059 1 20 CYS HB2 1 47 ILE QG 5.810 . 5.810 5.466 4.672 5.836 0.026 20 0 "[ . 1 . 2]" 1
1060 1 20 CYS HB3 1 38 CYS QB 3.710 . 3.710 2.251 1.889 3.121 . 0 0 "[ . 1 . 2]" 1
1061 1 21 HIS QB 1 22 GLU H 3.600 . 3.600 3.044 2.787 3.811 0.211 4 0 "[ . 1 . 2]" 1
1062 1 21 HIS QB 1 22 GLU QG 4.230 . 4.230 3.024 2.497 4.009 . 0 0 "[ . 1 . 2]" 1
1063 1 22 GLU QB 1 23 GLU H 3.210 . 3.210 2.508 2.003 2.908 . 0 0 "[ . 1 . 2]" 1
1064 1 22 GLU QB 1 23 GLU HA 4.660 . 4.660 4.417 4.225 4.675 0.015 7 0 "[ . 1 . 2]" 1
1065 1 22 GLU QB 1 23 GLU QB 5.100 . 5.100 4.201 3.913 4.514 . 0 0 "[ . 1 . 2]" 1
1066 1 23 GLU QB 1 24 GLY H 3.770 . 3.770 3.200 2.565 3.585 . 0 0 "[ . 1 . 2]" 1
1067 1 23 GLU QB 1 24 GLY HA3 4.510 . 4.510 4.378 4.120 4.598 0.088 8 0 "[ . 1 . 2]" 1
1068 1 23 GLU QB 1 39 SER HA 4.750 . 4.750 3.417 2.843 4.199 . 0 0 "[ . 1 . 2]" 1
1069 1 23 GLU QB 1 45 TRP HH2 4.790 . 4.790 4.234 2.765 4.826 0.036 20 0 "[ . 1 . 2]" 1
1070 1 23 GLU QG 1 38 CYS QB 4.750 . 4.750 4.124 3.563 4.688 . 0 0 "[ . 1 . 2]" 1
1071 1 25 PRO HG2 1 63 ARG QB 3.950 . 3.950 2.171 1.928 2.753 . 0 0 "[ . 1 . 2]" 1
1072 1 25 PRO HG2 1 63 ARG QD 5.610 . 5.610 2.849 2.366 3.669 . 0 0 "[ . 1 . 2]" 1
1073 1 25 PRO HG3 1 63 ARG QB 4.020 . 4.020 3.297 2.906 3.700 . 0 0 "[ . 1 . 2]" 1
1074 1 25 PRO HG3 1 63 ARG QD 4.510 . 4.510 3.768 3.254 4.519 0.009 5 0 "[ . 1 . 2]" 1
1075 1 25 PRO QD 1 63 ARG QB 4.560 . 4.560 3.303 2.763 3.929 . 0 0 "[ . 1 . 2]" 1
1076 1 25 PRO QD 1 63 ARG QD 4.130 . 4.130 2.148 1.863 2.989 . 0 0 "[ . 1 . 2]" 1
1077 1 26 ILE MG 1 27 PRO QG 4.660 . 4.660 4.023 3.887 4.158 . 0 0 "[ . 1 . 2]" 1
1078 1 27 PRO QG 1 60 PRO HA 3.880 . 3.880 3.629 3.313 3.913 0.033 9 0 "[ . 1 . 2]" 1
1079 1 27 PRO QG 1 60 PRO QD 3.590 . 3.590 1.967 1.845 2.073 . 0 0 "[ . 1 . 2]" 1
1080 1 28 HIS HB3 1 31 ASN QB 5.410 . 5.410 4.283 2.762 4.942 . 0 0 "[ . 1 . 2]" 1
1081 1 29 PRO QD 1 30 GLY H 4.460 . 4.460 3.066 2.931 3.260 . 0 0 "[ . 1 . 2]" 1
1082 1 29 PRO QD 1 36 ILE HG13 5.040 . 5.040 4.551 3.928 4.957 . 0 0 "[ . 1 . 2]" 1
1083 1 29 PRO QD 1 36 ILE MD 3.140 . 3.140 2.349 2.042 2.585 . 0 0 "[ . 1 . 2]" 1
1084 1 30 GLY HA3 1 31 ASN QB 4.750 . 4.750 4.338 3.936 4.516 . 0 0 "[ . 1 . 2]" 1
1085 1 31 ASN H 1 31 ASN QB 3.610 . 3.610 3.157 2.525 3.477 . 0 0 "[ . 1 . 2]" 1
1086 1 31 ASN QB 1 32 VAL H 4.240 . 4.240 3.548 3.142 4.037 . 0 0 "[ . 1 . 2]" 1
1087 1 31 ASN QB 1 33 HIS H 4.190 . 4.190 2.759 2.443 3.873 . 0 0 "[ . 1 . 2]" 1
1088 1 31 ASN QB 1 34 LYS H 4.080 . 4.080 4.003 3.402 4.370 0.290 7 0 "[ . 1 . 2]" 1
1089 1 31 ASN QB 1 34 LYS HB2 5.810 . 5.810 4.224 3.009 5.049 . 0 0 "[ . 1 . 2]" 1
1090 1 31 ASN QB 1 34 LYS QG 5.810 . 5.810 3.775 2.805 4.677 . 0 0 "[ . 1 . 2]" 1
1091 1 31 ASN QD 1 34 LYS HB2 4.870 . 4.870 3.933 3.022 4.897 0.027 13 0 "[ . 1 . 2]" 1
1092 1 31 ASN QD 1 34 LYS QD 4.770 . 4.770 3.727 1.893 4.851 0.081 5 0 "[ . 1 . 2]" 1
1093 1 31 ASN QD 1 34 LYS QE 3.700 . 3.700 2.437 1.768 3.699 0.032 15 0 "[ . 1 . 2]" 1
1094 1 32 VAL H 1 32 VAL QG 3.130 . 3.130 1.869 1.772 2.293 0.028 17 0 "[ . 1 . 2]" 1
1095 1 32 VAL HA 1 32 VAL QG 2.990 . 2.990 2.242 2.133 2.300 . 0 0 "[ . 1 . 2]" 1
1096 1 32 VAL QG 1 33 HIS H 3.500 . 3.500 2.866 2.671 3.550 0.050 17 0 "[ . 1 . 2]" 1
1097 1 32 VAL QG 1 33 HIS HA 3.840 . 3.840 3.558 3.181 3.902 0.062 17 0 "[ . 1 . 2]" 1
1098 1 32 VAL QG 1 34 LYS H 5.120 . 5.120 4.065 3.854 4.179 . 0 0 "[ . 1 . 2]" 1
1099 1 32 VAL QG 1 57 LYS HA 4.660 . 4.660 3.386 2.670 3.759 . 0 0 "[ . 1 . 2]" 1
1100 1 32 VAL QG 1 57 LYS HB2 4.020 . 4.020 2.253 1.793 2.630 0.007 17 0 "[ . 1 . 2]" 1
1101 1 32 VAL QG 1 57 LYS HB3 4.400 . 4.400 2.590 2.287 3.266 . 0 0 "[ . 1 . 2]" 1
1102 1 32 VAL QG 1 57 LYS QG 4.130 . 4.130 3.539 3.074 3.895 . 0 0 "[ . 1 . 2]" 1
1103 1 32 VAL QG 1 57 LYS QD 3.670 . 3.670 2.537 2.039 2.948 . 0 0 "[ . 1 . 2]" 1
1104 1 32 VAL QG 1 58 PHE H 4.260 . 4.260 3.499 2.029 4.017 . 0 0 "[ . 1 . 2]" 1
1105 1 33 HIS H 1 33 HIS QB 3.070 . 3.070 2.356 2.220 2.470 . 0 0 "[ . 1 . 2]" 1
1106 1 35 TYR HE2 1 63 ARG QB 5.810 . 5.810 5.884 5.831 5.931 0.121 12 0 "[ . 1 . 2]" 1
1107 1 37 ILE MG 1 39 SER QB 4.280 . 4.280 3.475 2.728 4.102 . 0 0 "[ . 1 . 2]" 1
1108 1 38 CYS H 1 38 CYS QB 3.260 . 3.260 2.489 2.403 2.570 . 0 0 "[ . 1 . 2]" 1
1109 1 38 CYS QB 1 39 SER H 4.390 . 4.390 3.260 3.184 3.295 . 0 0 "[ . 1 . 2]" 1
1110 1 38 CYS QB 1 45 TRP HE3 4.160 . 4.160 2.844 2.455 3.248 . 0 0 "[ . 1 . 2]" 1
1111 1 38 CYS QB 1 45 TRP HZ3 3.880 . 3.880 2.397 2.116 2.721 . 0 0 "[ . 1 . 2]" 1
1112 1 39 SER H 1 39 SER QB 3.580 . 3.580 2.710 2.521 3.182 . 0 0 "[ . 1 . 2]" 1
1113 1 40 LYS H 1 40 LYS QG 4.580 . 4.580 4.007 3.327 4.096 . 0 0 "[ . 1 . 2]" 1
1114 1 40 LYS HA 1 40 LYS QG 3.630 . 3.630 2.556 2.328 3.008 . 0 0 "[ . 1 . 2]" 1
1115 1 40 LYS QB 1 40 LYS QE 3.900 . 3.900 3.446 1.996 3.836 . 0 0 "[ . 1 . 2]" 1
1116 1 40 LYS QB 1 41 SER H 4.030 . 4.030 3.830 3.057 3.954 . 0 0 "[ . 1 . 2]" 1
1117 1 40 LYS QB 1 45 TRP HA 5.020 . 5.020 4.088 3.560 4.747 . 0 0 "[ . 1 . 2]" 1
1118 1 40 LYS QG 1 44 LEU H 5.140 . 5.140 3.864 3.237 5.222 0.082 13 0 "[ . 1 . 2]" 1
1119 1 40 LYS QE 1 41 SER H 5.460 . 5.460 4.964 4.080 5.501 0.041 17 0 "[ . 1 . 2]" 1
1120 1 40 LYS QE 1 43 SER HA 3.870 . 3.870 2.765 2.014 3.449 . 0 0 "[ . 1 . 2]" 1
1121 1 40 LYS QE 1 44 LEU H 4.640 . 4.640 4.255 3.298 4.716 0.076 20 0 "[ . 1 . 2]" 1
1122 1 40 LYS QE 1 44 LEU HA 5.560 . 5.560 5.081 3.929 5.649 0.089 2 0 "[ . 1 . 2]" 1
1123 1 40 LYS QE 1 45 TRP HE1 4.660 . 4.660 2.896 2.324 3.752 . 0 0 "[ . 1 . 2]" 1
1124 1 40 LYS QE 1 45 TRP HZ2 4.890 . 4.890 3.747 3.076 4.612 . 0 0 "[ . 1 . 2]" 1
1125 1 41 SER QB 1 44 LEU QB . . 4.310 2.746 2.499 3.126 . 0 0 "[ . 1 . 2]" 1
1126 1 41 SER QB 1 44 LEU QD 5.280 . 5.280 3.713 3.314 4.478 . 0 0 "[ . 1 . 2]" 1
1127 1 42 GLY QA 1 43 SER H 2.980 . 2.980 2.166 2.112 2.200 . 0 0 "[ . 1 . 2]" 1
1128 1 42 GLY QA 1 43 SER HA 4.760 . 4.760 3.949 3.928 3.961 . 0 0 "[ . 1 . 2]" 1
1129 1 42 GLY QA 1 43 SER QB 4.730 . 4.730 4.086 3.755 4.212 . 0 0 "[ . 1 . 2]" 1
1130 1 42 GLY QA 1 44 LEU H 5.180 . 5.180 3.474 3.417 3.579 . 0 0 "[ . 1 . 2]" 1
1131 1 43 SER H 1 44 LEU QB 4.390 . 4.390 3.625 3.472 3.855 . 0 0 "[ . 1 . 2]" 1
1132 1 44 LEU H 1 44 LEU QD 4.570 . 4.570 3.753 3.156 3.954 . 0 0 "[ . 1 . 2]" 1
1133 1 44 LEU HA 1 44 LEU QD 2.930 . 2.930 2.085 1.870 2.959 0.029 17 0 "[ . 1 . 2]" 1
1134 1 44 LEU QB 1 45 TRP H 3.940 . 3.940 3.521 3.080 3.827 . 0 0 "[ . 1 . 2]" 1
1135 1 44 LEU QD 1 45 TRP H 3.810 . 3.810 2.617 1.891 3.906 0.096 18 0 "[ . 1 . 2]" 1
1136 1 47 ILE H 1 47 ILE QG 3.170 . 3.170 2.147 2.037 2.270 . 0 0 "[ . 1 . 2]" 1
1137 1 47 ILE QG 1 48 THR HA 5.810 . 5.810 4.615 4.291 5.218 . 0 0 "[ . 1 . 2]" 1
1138 1 50 MET HA 1 51 PRO QG 4.180 . 4.180 3.923 3.859 3.983 . 0 0 "[ . 1 . 2]" 1
1139 1 54 ILE MG 1 55 GLY QA 3.870 . 3.870 3.027 2.935 3.120 . 0 0 "[ . 1 . 2]" 1
1140 1 55 GLY QA 1 56 THR H 3.090 . 3.090 2.936 2.888 2.968 . 0 0 "[ . 1 . 2]" 1
1141 1 55 GLY QA 1 56 THR MG 3.950 . 3.950 3.467 3.389 3.539 . 0 0 "[ . 1 . 2]" 1
1142 1 55 GLY QA 1 68 ASP H 4.840 . 4.840 4.020 3.730 4.273 . 0 0 "[ . 1 . 2]" 1
1143 1 55 GLY QA 1 68 ASP QB 5.030 . 5.030 3.387 3.057 3.874 . 0 0 "[ . 1 . 2]" 1
1144 1 56 THR HA 1 67 LEU QD 4.680 . 4.680 3.477 3.003 4.515 . 0 0 "[ . 1 . 2]" 1
1145 1 56 THR HA 1 68 ASP QB 3.560 . 3.560 2.743 2.424 3.299 . 0 0 "[ . 1 . 2]" 1
1146 1 56 THR MG 1 67 LEU QB 5.320 . 5.320 3.653 3.133 4.239 . 0 0 "[ . 1 . 2]" 1
1147 1 57 LYS H 1 57 LYS QG 3.350 . 3.350 2.167 2.011 2.275 . 0 0 "[ . 1 . 2]" 1
1148 1 57 LYS H 1 68 ASP QB 4.020 . 4.020 2.987 2.497 3.460 . 0 0 "[ . 1 . 2]" 1
1149 1 57 LYS HE2 1 57 LYS QG 3.410 . 3.410 2.388 2.290 2.454 . 0 0 "[ . 1 . 2]" 1
1150 1 57 LYS HE3 1 57 LYS QG 3.580 . 3.580 2.387 2.320 2.462 . 0 0 "[ . 1 . 2]" 1
1151 1 57 LYS QG 1 58 PHE H 4.460 . 4.460 3.904 3.706 4.033 . 0 0 "[ . 1 . 2]" 1
1152 1 57 LYS QG 1 66 VAL H 4.670 . 4.670 3.306 3.211 3.394 . 0 0 "[ . 1 . 2]" 1
1153 1 57 LYS QG 1 66 VAL MG2 3.570 . 3.570 2.274 2.100 2.440 . 0 0 "[ . 1 . 2]" 1
1154 1 57 LYS QG 1 68 ASP HA 3.940 . 3.940 2.617 1.998 3.168 . 0 0 "[ . 1 . 2]" 1
1155 1 57 LYS QG 1 68 ASP QB 5.070 . 5.070 2.361 2.136 2.638 . 0 0 "[ . 1 . 2]" 1
1156 1 57 LYS QD 1 68 ASP QB 4.400 . 4.400 2.689 2.096 3.098 . 0 0 "[ . 1 . 2]" 1
1157 1 57 LYS HE2 1 68 ASP QB 4.210 . 4.210 3.673 3.002 4.221 0.011 13 0 "[ . 1 . 2]" 1
1158 1 59 ASP HB2 1 62 SER QB 4.640 . 4.640 3.806 3.401 4.783 0.143 8 0 "[ . 1 . 2]" 1
1159 1 60 PRO HB2 1 61 ILE QG 4.800 . 4.800 3.718 3.038 4.415 . 0 0 "[ . 1 . 2]" 1
1160 1 60 PRO QG 1 61 ILE QG 4.560 . 4.560 2.888 2.241 3.978 . 0 0 "[ . 1 . 2]" 1
1161 1 61 ILE H 1 61 ILE QG 3.410 . 3.410 2.642 2.090 3.545 0.135 19 0 "[ . 1 . 2]" 1
1162 1 61 ILE HA 1 61 ILE QG 3.530 . 3.530 2.795 2.333 3.061 . 0 0 "[ . 1 . 2]" 1
1163 1 62 SER H 1 62 SER QB 3.170 . 3.170 2.547 2.281 2.685 . 0 0 "[ . 1 . 2]" 1
1164 1 62 SER H 1 63 ARG QB 5.810 . 5.810 5.188 5.059 5.271 . 0 0 "[ . 1 . 2]" 1
1165 1 62 SER H 1 63 ARG QG 5.610 . 5.610 4.263 4.098 4.553 . 0 0 "[ . 1 . 2]" 1
1166 1 62 SER HA 1 63 ARG QB 4.900 . 4.900 4.270 4.162 4.473 . 0 0 "[ . 1 . 2]" 1
1167 1 62 SER QB 1 63 ARG H 4.270 . 4.270 2.780 2.551 3.500 . 0 0 "[ . 1 . 2]" 1
1168 1 62 SER QB 1 63 ARG HA 5.580 . 5.580 4.524 4.306 5.173 . 0 0 "[ . 1 . 2]" 1
1169 1 62 SER QB 1 64 ASN HB3 4.640 . 4.640 4.200 3.819 4.566 . 0 0 "[ . 1 . 2]" 1
1170 1 62 SER QB 1 64 ASN QD 4.160 . 4.160 2.884 1.806 3.777 . 0 0 "[ . 1 . 2]" 1
1171 1 62 SER QB 1 66 VAL MG1 4.230 . 4.230 3.647 3.119 4.050 . 0 0 "[ . 1 . 2]" 1
1172 1 63 ARG H 1 63 ARG QB 3.610 . 3.610 3.389 3.329 3.437 . 0 0 "[ . 1 . 2]" 1
1173 1 63 ARG H 1 63 ARG QG 3.720 . 3.720 2.934 2.846 3.121 . 0 0 "[ . 1 . 2]" 1
1174 1 63 ARG HA 1 63 ARG QG 3.380 . 3.380 2.406 2.305 2.456 . 0 0 "[ . 1 . 2]" 1
1175 1 63 ARG QB 1 63 ARG QD 3.100 . 3.100 2.248 2.107 2.384 . 0 0 "[ . 1 . 2]" 1
1176 1 63 ARG QB 1 63 ARG HE 3.960 . 3.960 2.830 1.843 3.992 0.032 1 0 "[ . 1 . 2]" 1
1177 1 63 ARG QB 1 64 ASN HB3 5.210 . 5.210 4.325 4.178 4.503 . 0 0 "[ . 1 . 2]" 1
1178 1 63 ARG QG 1 64 ASN H 5.560 . 5.560 4.497 4.391 4.579 . 0 0 "[ . 1 . 2]" 1
1179 1 64 ASN QD 1 66 VAL MG1 4.010 . 4.010 2.710 2.047 3.534 . 0 0 "[ . 1 . 2]" 1
1180 1 66 VAL HA 1 67 LEU QB 5.440 . 5.440 4.269 4.122 4.573 . 0 0 "[ . 1 . 2]" 1
1181 1 66 VAL MG2 1 67 LEU QB 5.400 . 5.400 4.308 4.035 4.567 . 0 0 "[ . 1 . 2]" 1
1182 1 67 LEU H 1 67 LEU QB 2.690 . 2.690 2.203 2.063 2.359 . 0 0 "[ . 1 . 2]" 1
1183 1 67 LEU HA 1 67 LEU QD 3.300 . 3.300 2.079 1.868 2.929 . 0 0 "[ . 1 . 2]" 1
1184 1 67 LEU QB 1 68 ASP H 4.300 . 4.300 3.692 3.025 3.888 . 0 0 "[ . 1 . 2]" 1
1185 1 67 LEU QB 1 69 ASN H 5.060 . 5.060 4.395 3.833 4.789 . 0 0 "[ . 1 . 2]" 1
1186 1 67 LEU QB 1 69 ASN QD 5.550 . 5.550 4.751 2.380 5.784 0.234 13 0 "[ . 1 . 2]" 1
1187 1 67 LEU QD 1 68 ASP H 4.230 . 4.230 2.559 2.085 4.257 0.027 4 0 "[ . 1 . 2]" 1
1188 1 67 LEU QD 1 69 ASN QB 4.840 . 4.840 2.856 1.916 4.129 . 0 0 "[ . 1 . 2]" 1
1189 1 67 LEU QD 1 69 ASN QD 4.110 . 4.110 3.324 1.784 4.224 0.114 4 0 "[ . 1 . 2]" 1
1190 1 69 ASN H 1 69 ASN QB 3.440 . 3.440 2.609 2.233 3.127 . 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 6
_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 20 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 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 20 CYS SG 1 38 CYS SG 2.100 . 2.100 2.027 2.012 2.032 . 0 0 "[ . 1 . 2]" 2
2 1 20 CYS SG 1 38 CYS CB 3.100 . 3.100 3.037 2.979 3.072 . 0 0 "[ . 1 . 2]" 2
3 1 20 CYS CB 1 38 CYS SG 3.100 . 3.100 3.031 3.007 3.049 . 0 0 "[ . 1 . 2]" 2
4 1 52 CYS SG 1 65 CYS SG 2.100 . 2.100 2.034 2.017 2.046 . 0 0 "[ . 1 . 2]" 2
5 1 52 CYS SG 1 65 CYS CB 3.100 . 3.100 3.053 2.999 3.099 . 0 0 "[ . 1 . 2]" 2
6 1 52 CYS CB 1 65 CYS SG 3.100 . 3.100 3.056 3.039 3.074 . 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 184
_Distance_constraint_stats_list.Viol_total 131.204
_Distance_constraint_stats_list.Viol_max 0.150
_Distance_constraint_stats_list.Viol_rms 0.0181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0357
_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 7 LEU 0.486 0.102 14 0 "[ . 1 . 2]"
1 9 VAL 0.056 0.028 10 0 "[ . 1 . 2]"
1 11 GLU 0.715 0.072 3 0 "[ . 1 . 2]"
1 14 LYS 0.715 0.072 3 0 "[ . 1 . 2]"
1 16 TYR 0.056 0.028 10 0 "[ . 1 . 2]"
1 18 VAL 0.486 0.102 14 0 "[ . 1 . 2]"
1 24 GLY 0.500 0.150 5 0 "[ . 1 . 2]"
1 26 ILE 1.518 0.121 2 0 "[ . 1 . 2]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 TYR 0.445 0.065 9 0 "[ . 1 . 2]"
1 36 ILE 1.518 0.121 2 0 "[ . 1 . 2]"
1 37 ILE 0.557 0.095 11 0 "[ . 1 . 2]"
1 38 CYS 0.500 0.150 5 0 "[ . 1 . 2]"
1 39 SER 0.383 0.069 20 0 "[ . 1 . 2]"
1 41 SER 0.564 0.066 1 0 "[ . 1 . 2]"
1 44 LEU 0.564 0.066 1 0 "[ . 1 . 2]"
1 46 TYR 0.383 0.069 20 0 "[ . 1 . 2]"
1 48 THR 0.557 0.095 11 0 "[ . 1 . 2]"
1 50 MET 0.445 0.065 9 0 "[ . 1 . 2]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.002 0.002 1 0 "[ . 1 . 2]"
1 55 GLY 0.022 0.015 13 0 "[ . 1 . 2]"
1 56 THR 0.002 0.002 1 0 "[ . 1 . 2]"
1 57 LYS 1.151 0.087 11 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASP 0.161 0.047 2 0 "[ . 1 . 2]"
1 64 ASN 0.161 0.047 2 0 "[ . 1 . 2]"
1 66 VAL 1.151 0.087 11 0 "[ . 1 . 2]"
1 68 ASP 0.022 0.015 13 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 7 LEU H 1 18 VAL O 2.250 . 2.250 2.027 1.851 2.277 0.027 13 0 "[ . 1 . 2]" 3
2 1 7 LEU N 1 18 VAL O 3.150 . 3.150 2.946 2.770 3.218 0.068 9 0 "[ . 1 . 2]" 3
3 1 9 VAL H 1 16 TYR O 2.250 . 2.250 1.852 1.772 2.037 0.028 10 0 "[ . 1 . 2]" 3
4 1 9 VAL N 1 16 TYR O 3.150 . 3.150 2.775 2.704 2.907 . 0 0 "[ . 1 . 2]" 3
5 1 11 GLU H 1 14 LYS O 2.250 . 2.250 1.813 1.728 1.976 0.072 3 0 "[ . 1 . 2]" 3
6 1 11 GLU N 1 14 LYS O 3.150 . 3.150 2.743 2.649 2.901 . 0 0 "[ . 1 . 2]" 3
7 1 11 GLU O 1 14 LYS H 2.250 . 2.250 2.196 2.028 2.295 0.045 3 0 "[ . 1 . 2]" 3
8 1 11 GLU O 1 14 LYS N 3.150 . 3.150 3.091 2.926 3.178 0.028 9 0 "[ . 1 . 2]" 3
9 1 9 VAL O 1 16 TYR H 2.250 . 2.250 1.911 1.790 2.065 0.010 10 0 "[ . 1 . 2]" 3
10 1 9 VAL O 1 16 TYR N 3.150 . 3.150 2.832 2.727 2.893 . 0 0 "[ . 1 . 2]" 3
11 1 7 LEU O 1 18 VAL H 2.250 . 2.250 1.814 1.698 1.946 0.102 14 0 "[ . 1 . 2]" 3
12 1 7 LEU O 1 18 VAL N 3.150 . 3.150 2.681 2.638 2.745 . 0 0 "[ . 1 . 2]" 3
13 1 24 GLY H 1 38 CYS O 2.250 . 2.250 2.009 1.763 2.400 0.150 5 0 "[ . 1 . 2]" 3
14 1 24 GLY N 1 38 CYS O 3.150 . 3.150 2.845 2.736 3.029 . 0 0 "[ . 1 . 2]" 3
15 1 26 ILE H 1 36 ILE O 2.250 . 2.250 1.925 1.868 1.965 . 0 0 "[ . 1 . 2]" 3
16 1 26 ILE N 1 36 ILE O 3.150 . 3.150 2.866 2.807 2.906 . 0 0 "[ . 1 . 2]" 3
17 1 31 ASN O 1 34 LYS H 2.250 . 2.250 2.133 2.006 2.221 . 0 0 "[ . 1 . 2]" 3
18 1 31 ASN O 1 34 LYS N 3.150 . 3.150 2.967 2.867 3.090 . 0 0 "[ . 1 . 2]" 3
19 1 35 TYR H 1 50 MET O 2.250 . 2.250 1.798 1.735 1.969 0.065 9 0 "[ . 1 . 2]" 3
20 1 35 TYR N 1 50 MET O 3.150 . 3.150 2.773 2.713 2.928 . 0 0 "[ . 1 . 2]" 3
21 1 26 ILE O 1 36 ILE H 2.250 . 2.250 1.724 1.679 1.758 0.121 2 0 "[ . 1 . 2]" 3
22 1 26 ILE O 1 36 ILE N 3.150 . 3.150 2.696 2.650 2.736 . 0 0 "[ . 1 . 2]" 3
23 1 37 ILE H 1 48 THR O 2.250 . 2.250 1.815 1.780 1.860 0.020 19 0 "[ . 1 . 2]" 3
24 1 37 ILE N 1 48 THR O 3.150 . 3.150 2.770 2.738 2.811 . 0 0 "[ . 1 . 2]" 3
25 1 24 GLY O 1 38 CYS H 2.250 . 2.250 2.086 1.882 2.271 0.021 19 0 "[ . 1 . 2]" 3
26 1 24 GLY O 1 38 CYS N 3.150 . 3.150 3.001 2.827 3.158 0.008 20 0 "[ . 1 . 2]" 3
27 1 39 SER H 1 46 TYR O 2.250 . 2.250 1.969 1.817 2.228 . 0 0 "[ . 1 . 2]" 3
28 1 39 SER N 1 46 TYR O 3.150 . 3.150 2.872 2.716 3.060 . 0 0 "[ . 1 . 2]" 3
29 1 41 SER H 1 44 LEU O 2.250 . 2.250 1.791 1.734 1.872 0.066 1 0 "[ . 1 . 2]" 3
30 1 41 SER N 1 44 LEU O 3.150 . 3.150 2.686 2.639 2.739 . 0 0 "[ . 1 . 2]" 3
31 1 41 SER O 1 44 LEU H 2.250 . 2.250 2.073 1.792 2.261 0.011 13 0 "[ . 1 . 2]" 3
32 1 41 SER O 1 44 LEU N 3.150 . 3.150 3.009 2.746 3.184 0.034 11 0 "[ . 1 . 2]" 3
33 1 39 SER O 1 46 TYR H 2.250 . 2.250 1.802 1.731 1.960 0.069 20 0 "[ . 1 . 2]" 3
34 1 39 SER O 1 46 TYR N 3.150 . 3.150 2.767 2.694 2.941 . 0 0 "[ . 1 . 2]" 3
35 1 37 ILE O 1 48 THR H 2.250 . 2.250 2.256 2.131 2.345 0.095 11 0 "[ . 1 . 2]" 3
36 1 37 ILE O 1 48 THR N 3.150 . 3.150 3.122 3.045 3.171 0.021 11 0 "[ . 1 . 2]" 3
37 1 35 TYR O 1 50 MET H 2.250 . 2.250 1.911 1.793 2.028 0.007 3 0 "[ . 1 . 2]" 3
38 1 35 TYR O 1 50 MET N 3.150 . 3.150 2.718 2.682 2.774 . 0 0 "[ . 1 . 2]" 3
39 1 33 HIS O 1 52 CYS H 2.250 . 2.250 1.919 1.841 2.083 . 0 0 "[ . 1 . 2]" 3
40 1 33 HIS O 1 52 CYS N 3.150 . 3.150 2.864 2.790 2.999 . 0 0 "[ . 1 . 2]" 3
41 1 53 SER O 1 56 THR H 2.250 . 2.250 2.105 1.985 2.223 . 0 0 "[ . 1 . 2]" 3
42 1 53 SER O 1 56 THR N 3.150 . 3.150 3.005 2.893 3.152 0.002 1 0 "[ . 1 . 2]" 3
43 1 57 LYS H 1 66 VAL O 2.250 . 2.250 1.772 1.713 1.857 0.087 11 0 "[ . 1 . 2]" 3
44 1 57 LYS N 1 66 VAL O 3.150 . 3.150 2.726 2.664 2.795 . 0 0 "[ . 1 . 2]" 3
45 1 32 VAL O 1 58 PHE H 2.250 . 2.250 1.963 1.847 2.149 . 0 0 "[ . 1 . 2]" 3
46 1 32 VAL O 1 58 PHE N 3.150 . 3.150 2.925 2.805 3.132 . 0 0 "[ . 1 . 2]" 3
47 1 59 ASP H 1 64 ASN O 2.250 . 2.250 1.830 1.753 1.894 0.047 2 0 "[ . 1 . 2]" 3
48 1 59 ASP N 1 64 ASN O 3.150 . 3.150 2.799 2.708 2.864 . 0 0 "[ . 1 . 2]" 3
49 1 57 LYS O 1 66 VAL H 2.250 . 2.250 1.783 1.722 1.845 0.078 8 0 "[ . 1 . 2]" 3
50 1 57 LYS O 1 66 VAL N 3.150 . 3.150 2.728 2.679 2.785 . 0 0 "[ . 1 . 2]" 3
51 1 55 GLY O 1 68 ASP H 2.250 . 2.250 1.943 1.785 2.173 0.015 13 0 "[ . 1 . 2]" 3
52 1 55 GLY O 1 68 ASP N 3.150 . 3.150 2.868 2.733 3.108 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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