NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
458098 |
2kdp   |
16127 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kdp
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 1153
_Distance_constraint_stats_list.Viol_count 540
_Distance_constraint_stats_list.Viol_total 2981.848
_Distance_constraint_stats_list.Viol_max 1.243
_Distance_constraint_stats_list.Viol_rms 0.0153
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.1175
_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 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 3 ALA 0.060 0.036 35 0 "[ . 1 . 2 . 3 . 4 . ]"
1 4 GLY 0.502 0.409 39 0 "[ . 1 . 2 . 3 . 4 . ]"
1 5 GLN 0.580 0.409 39 0 "[ . 1 . 2 . 3 . 4 . ]"
1 6 LEU 13.093 0.365 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 7 CYS 0.003 0.003 24 0 "[ . 1 . 2 . 3 . 4 . ]"
1 8 CYS 0.743 0.123 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 9 LEU 3.156 0.152 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 10 ARG 0.399 0.138 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 12 ASP 0.083 0.037 39 0 "[ . 1 . 2 . 3 . 4 . ]"
1 13 GLY 0.313 0.138 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 14 GLU 0.087 0.040 46 0 "[ . 1 . 2 . 3 . 4 . ]"
1 15 ARG 1.411 0.188 14 0 "[ . 1 . 2 . 3 . 4 . ]"
1 16 CYS 0.001 0.001 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 17 GLY 0.260 0.086 47 0 "[ . 1 . 2 . 3 . 4 . ]"
1 18 ARG 0.067 0.031 27 0 "[ . 1 . 2 . 3 . 4 . ]"
1 19 ALA 8.381 0.365 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 20 ALA 0.184 0.068 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 22 ASN 0.082 0.044 7 0 "[ . 1 . 2 . 3 . 4 . ]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 25 PHE 10.625 1.243 38 1 "[ . 1 . 2 . 3 . + 4 . ]"
1 26 SER 0.233 0.075 39 0 "[ . 1 . 2 . 3 . 4 . ]"
1 27 LYS 0.126 0.053 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 28 ARG 5.546 0.229 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 29 ILE 0.865 0.148 21 0 "[ . 1 . 2 . 3 . 4 . ]"
1 30 GLN 5.974 0.291 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 31 LYS 10.796 0.291 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 34 SER 0.145 0.145 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 35 GLN 0.601 0.167 7 0 "[ . 1 . 2 . 3 . 4 . ]"
1 36 LYS 1.090 0.121 47 0 "[ . 1 . 2 . 3 . 4 . ]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 39 LYS 0.095 0.037 39 0 "[ . 1 . 2 . 3 . 4 . ]"
1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 42 LEU 11.511 1.243 38 1 "[ . 1 . 2 . 3 . + 4 . ]"
1 43 ASP 0.471 0.174 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 46 ALA 1.744 0.230 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 48 HIS 1.896 0.230 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 49 LEU 0.244 0.075 39 0 "[ . 1 . 2 . 3 . 4 . ]"
1 50 TYR 0.095 0.031 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 51 ILE 0.083 0.035 23 0 "[ . 1 . 2 . 3 . 4 . ]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 54 TYR 0.312 0.086 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 55 HIS 0.249 0.086 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 56 LYS 0.016 0.016 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 59 ILE 4.199 0.229 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 60 GLN 6.098 0.207 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 61 SER 8.895 0.300 8 0 "[ . 1 . 2 . 3 . 4 . ]"
1 62 VAL 0.486 0.110 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 63 ARG 1.824 0.246 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 65 ARG 0.098 0.042 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 66 ARG 0.098 0.042 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 67 LYS 0.017 0.012 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 68 ARG 1.050 0.149 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 69 LYS 0.706 0.149 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 70 GLY 0.253 0.110 36 0 "[ . 1 . 2 . 3 . 4 . ]"
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 6 LEU MD2 1 17 GLY HA3 5.300 . 6.000 4.438 3.426 5.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
2 1 6 LEU MD1 1 17 GLY HA3 4.100 . 6.000 5.154 3.631 6.086 0.086 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
3 1 6 LEU MD2 1 17 GLY HA2 4.600 . 6.000 3.235 2.015 4.320 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
4 1 6 LEU MD1 1 17 GLY HA2 4.100 . 6.000 3.845 2.566 4.939 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
5 1 18 ARG HD2 1 18 ARG HG2 3.000 . 4.100 2.993 2.541 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
6 1 18 ARG HB2 1 18 ARG HD3 2.900 . 3.900 2.707 2.363 2.811 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
7 1 18 ARG HB2 1 18 ARG HD2 2.800 . 3.800 2.214 2.117 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
8 1 18 ARG HB3 1 18 ARG HD3 3.100 . 4.300 2.531 2.179 3.666 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
9 1 18 ARG HB3 1 18 ARG HD2 3.400 . 4.900 2.965 2.492 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
10 1 18 ARG HD3 1 54 TYR QD 3.700 . 5.400 4.274 3.517 5.207 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
11 1 18 ARG HD2 1 54 TYR QD 4.000 . 6.000 4.036 3.118 4.773 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
12 1 25 PHE QD 1 33 ILE MD 3.900 . 5.800 3.988 3.590 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
13 1 25 PHE QD 1 59 ILE MD 3.800 . 5.600 4.455 4.198 4.953 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
14 1 25 PHE QE 1 59 ILE MD 4.000 . 6.000 4.314 3.977 4.674 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
15 1 25 PHE HZ 1 33 ILE MD 3.300 . 4.700 3.670 3.255 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
16 1 9 LEU MD2 1 33 ILE MD 4.200 . 6.000 3.655 3.297 3.967 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
17 1 9 LEU MD2 1 59 ILE MD 5.100 . 6.000 4.159 3.798 4.534 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
18 1 9 LEU MD1 1 33 ILE MD 4.300 . 6.000 3.578 3.188 4.092 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
19 1 33 ILE MD 1 40 ILE MG 2.800 . 3.800 2.551 2.211 2.861 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
20 1 40 ILE MG 1 59 ILE MD 2.600 . 3.400 2.792 2.379 3.183 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
21 1 33 ILE MD 1 33 ILE HG12 2.100 . 2.600 2.118 2.117 2.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
22 1 33 ILE HG12 1 59 ILE MD 3.200 . 4.500 2.745 2.189 3.131 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
23 1 33 ILE MD 1 40 ILE HB 3.100 . 4.300 3.002 2.571 3.532 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
24 1 33 ILE HG13 1 59 ILE MD 3.400 . 4.900 2.868 2.389 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
25 1 59 ILE HB 1 59 ILE MD 2.500 . 3.300 2.405 2.335 2.478 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
26 1 55 HIS HB2 1 59 ILE MD 3.900 . 5.800 4.013 3.695 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
27 1 59 ILE HA 1 59 ILE MD 4.000 . 6.000 3.826 3.767 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
28 1 33 ILE HA 1 33 ILE MD 4.000 . 6.000 3.851 3.798 3.885 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
29 1 55 HIS HD2 1 58 LEU HB3 3.900 . 5.800 3.384 3.142 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
30 1 55 HIS HA 1 58 LEU HB2 3.100 . 4.300 2.907 2.670 3.165 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
31 1 58 LEU HB2 1 58 LEU HG 2.200 . 2.800 2.533 2.439 2.637 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
32 1 58 LEU HB3 1 58 LEU MD1 2.300 . 3.000 2.465 2.343 2.610 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
33 1 9 LEU HB2 1 9 LEU MD2 3.400 . 4.900 3.196 3.190 3.199 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
34 1 9 LEU HB2 1 9 LEU MD1 2.500 . 3.300 2.336 2.266 2.420 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
35 1 51 ILE MD 1 55 HIS HB2 3.500 . 5.000 3.245 2.902 3.730 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
36 1 25 PHE HB3 1 49 LEU HB3 3.200 . 4.500 2.835 2.532 3.197 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
37 1 25 PHE HB3 1 49 LEU HB2 5.000 . 6.000 4.544 4.226 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
38 1 49 LEU HB3 1 49 LEU QD 2.500 . 3.300 2.112 2.089 2.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
39 1 42 LEU HB2 1 42 LEU HG 2.500 . 3.300 2.917 2.756 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
40 1 42 LEU HB3 1 42 LEU HG 2.500 . 3.300 2.679 2.430 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
41 1 6 LEU HB3 1 6 LEU MD2 2.800 . 3.800 2.301 2.118 2.476 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
42 1 6 LEU HB3 1 6 LEU MD1 2.700 . 3.600 2.689 2.290 3.190 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
43 1 10 ARG HD3 1 43 ASP HA 3.900 . 5.800 4.320 3.202 5.116 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
44 1 10 ARG HD2 1 43 ASP HA 4.300 . 6.000 3.956 3.099 5.656 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
45 1 10 ARG HD2 1 10 ARG HG2 3.000 . 4.200 2.506 2.276 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
46 1 10 ARG HB2 1 10 ARG HD3 3.400 . 4.900 2.611 2.290 3.693 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
47 1 10 ARG HB2 1 10 ARG HD2 3.400 . 4.800 3.577 2.512 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
48 1 10 ARG HD3 1 10 ARG HG3 2.800 . 3.800 2.504 2.280 3.006 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
49 1 10 ARG HB3 1 10 ARG HD3 3.200 . 4.500 2.966 2.358 3.778 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
50 1 10 ARG HB3 1 10 ARG HD2 3.200 . 4.500 3.579 2.509 3.808 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
51 1 15 ARG HB2 1 15 ARG HD3 3.300 . 4.600 3.291 2.306 4.228 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
52 1 15 ARG HB2 1 15 ARG HD2 3.100 . 4.300 3.624 3.088 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
53 1 15 ARG HD2 1 15 ARG QG 2.500 . 3.300 2.220 2.163 2.368 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
54 1 15 ARG HD3 1 43 ASP HB2 4.300 . 6.000 4.189 2.990 5.170 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
55 1 43 ASP HB3 1 46 ALA MB 3.100 . 4.300 2.927 2.193 3.448 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
56 1 43 ASP HA 1 43 ASP HB2 3.000 . 4.100 2.543 2.411 2.700 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
57 1 9 LEU MD1 1 51 ILE HB 3.100 . 4.300 2.780 2.481 3.084 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
58 1 51 ILE HB 1 51 ILE MD 2.800 . 3.800 2.432 2.386 2.482 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
59 1 51 ILE HB 1 55 HIS HB2 3.200 . 4.500 2.982 2.790 3.184 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
60 1 51 ILE HA 1 51 ILE HB 2.500 . 3.300 2.451 2.421 2.496 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
61 1 29 ILE HB 1 29 ILE MD 3.000 . 4.100 2.494 2.399 2.612 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
62 1 29 ILE MD 1 60 GLN HG2 4.000 . 6.000 4.244 3.563 5.063 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
63 1 29 ILE MD 1 60 GLN HG3 4.000 . 6.000 4.023 3.451 5.144 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
64 1 28 ARG QD 1 29 ILE MD 4.400 . 6.000 3.912 3.457 4.356 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
65 1 29 ILE HA 1 29 ILE MD 3.100 . 4.300 3.763 3.697 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
66 1 26 SER HB2 1 29 ILE MD 4.100 . 6.000 4.921 3.319 5.481 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
67 1 51 ILE MD 1 56 LYS HB2 2.700 . 3.600 2.613 2.287 2.871 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
68 1 25 PHE QD 1 51 ILE MD 3.900 . 5.800 3.540 3.142 3.876 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
69 1 47 ARG HB3 1 47 ARG QD 3.100 . 4.300 2.780 2.052 3.510 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
70 1 47 ARG HB2 1 47 ARG QD 3.300 . 4.700 2.728 2.122 3.458 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
71 1 47 ARG QD 1 47 ARG HG3 2.400 . 3.100 2.255 2.150 2.455 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
72 1 63 ARG HA 1 63 ARG QD 4.500 . 6.000 3.963 2.626 4.339 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
73 1 62 VAL MG1 1 63 ARG QD 3.900 . 5.800 4.080 2.913 4.974 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
74 1 28 ARG HA 1 28 ARG QD 3.600 . 5.300 3.936 3.584 4.366 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
75 1 10 ARG HD2 1 13 GLY HA2 3.800 . 5.600 5.302 3.611 5.738 0.138 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
76 1 53 ASP HA 1 56 LYS QE 3.400 . 4.800 3.011 2.061 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
77 1 56 LYS HB3 1 56 LYS QE 2.600 . 3.400 2.219 1.942 3.416 0.016 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
78 1 56 LYS QE 1 56 LYS HG2 3.300 . 4.700 2.870 2.551 3.065 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
79 1 40 ILE HB 1 40 ILE MD 2.900 . 3.900 2.445 2.356 2.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
80 1 33 ILE HG12 1 40 ILE HB 3.800 . 5.600 3.613 3.142 4.149 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
81 1 12 ASP HA 1 12 ASP HB2 3.000 . 4.100 2.956 2.554 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
82 1 11 GLU QG 1 12 ASP HB2 3.200 . 4.500 2.995 2.510 3.673 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
83 1 22 ASN HA 1 22 ASN HB2 2.800 . 3.800 2.677 2.382 3.018 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
84 1 22 ASN HA 1 22 ASN HB3 2.800 . 3.800 2.861 2.253 3.026 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
85 1 64 ASN HA 1 64 ASN HB3 2.800 . 3.800 2.758 2.286 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
86 1 64 ASN HA 1 64 ASN HB2 2.700 . 3.600 2.665 2.345 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
87 1 50 TYR HA 1 50 TYR HB3 2.800 . 3.800 2.531 2.451 2.629 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
88 1 20 ALA MB 1 50 TYR HB3 2.600 . 3.500 2.358 2.039 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
89 1 20 ALA MB 1 50 TYR HB2 3.000 . 4.100 2.851 2.554 3.243 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
90 1 50 TYR HB3 1 50 TYR QD 3.100 . 4.300 2.442 2.314 2.619 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
91 1 50 TYR HB2 1 50 TYR QD 3.000 . 4.100 2.367 2.274 2.512 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
92 1 25 PHE HA 1 25 PHE HB2 2.700 . 3.600 2.476 2.400 2.544 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
93 1 25 PHE HB2 1 49 LEU HB3 3.800 . 5.600 3.876 3.236 4.405 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
94 1 25 PHE HB3 1 42 LEU QD 4.000 . 6.000 3.330 2.788 3.665 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
95 1 25 PHE HB3 1 49 LEU QD 3.000 . 4.100 2.450 2.155 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
96 1 25 PHE HB2 1 49 LEU QD 3.600 . 5.200 3.539 2.959 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
97 1 25 PHE HB3 1 51 ILE HG12 3.100 . 4.300 3.843 3.419 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
98 1 25 PHE HB2 1 51 ILE MG 2.700 . 3.600 2.505 2.177 2.747 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
99 1 25 PHE HB2 1 25 PHE QD 2.900 . 3.900 2.513 2.419 2.634 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
100 1 2 ASN HA 1 2 ASN QB 2.900 . 3.900 2.460 2.173 2.543 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
101 1 33 ILE HA 1 33 ILE HB 2.900 . 3.900 3.026 3.015 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
102 1 33 ILE HB 1 33 ILE MD 2.600 . 3.400 2.364 2.304 2.451 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
103 1 59 ILE HB 1 59 ILE HG12 2.300 . 3.000 2.079 2.048 2.088 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
104 1 56 LYS HA 1 59 ILE HB 3.400 . 4.800 3.500 3.208 3.692 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
105 1 57 ASN HA 1 57 ASN HB3 3.000 . 4.100 3.018 2.966 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
106 1 29 ILE HB 1 29 ILE MD 2.400 . 3.100 2.013 1.972 2.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
107 1 29 ILE HB 1 29 ILE HG12 3.000 . 4.100 3.024 3.014 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
108 1 29 ILE HB 1 29 ILE HG13 2.600 . 3.400 2.422 2.353 2.495 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
109 1 25 PHE HB3 1 49 LEU HA 4.500 . 6.000 4.099 3.739 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
110 1 25 PHE HB2 1 49 LEU HA 4.500 . 6.000 4.478 4.095 5.219 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
111 1 41 GLU HA 1 41 GLU HG2 4.000 . 6.000 3.765 2.777 4.137 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
112 1 24 SER HA 1 24 SER QB 2.600 . 3.500 2.224 2.163 2.374 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
113 1 24 SER QB 1 50 TYR HA 3.900 . 5.800 3.824 3.369 4.366 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
114 1 24 SER QB 1 49 LEU HB3 3.200 . 4.500 3.565 2.919 4.168 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
115 1 24 SER QB 1 49 LEU HB2 3.200 . 4.500 3.719 3.267 4.223 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
116 1 26 SER HA 1 26 SER HB2 2.700 . 3.600 2.482 2.375 2.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
117 1 26 SER HA 1 26 SER HB3 2.700 . 3.600 2.499 2.255 2.987 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
118 1 11 GLU HB2 1 11 GLU QG 2.400 . 3.100 2.309 2.139 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
119 1 11 GLU QG 1 40 ILE MD 3.900 . 5.800 3.268 2.838 3.700 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
120 1 11 GLU HA 1 11 GLU QG 2.800 . 3.800 2.425 2.232 2.599 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
121 1 14 GLU HB2 1 14 GLU HG2 2.700 . 3.600 2.380 2.303 2.547 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
122 1 14 GLU HB3 1 14 GLU HG3 2.300 . 3.000 2.374 2.299 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
123 1 14 GLU HA 1 14 GLU HG3 3.600 . 5.200 3.542 2.748 3.809 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
124 1 59 ILE HA 1 59 ILE HG12 2.200 . 2.800 2.170 2.117 2.222 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
125 1 58 LEU HB3 1 59 ILE HA 3.700 . 5.400 4.129 4.028 4.274 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
126 1 59 ILE HA 1 59 ILE HG13 2.700 . 3.600 2.956 2.852 3.077 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
127 1 59 ILE HA 1 59 ILE HB 2.800 . 3.800 3.015 3.011 3.018 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
128 1 59 ILE HA 1 62 VAL HB 3.700 . 5.400 4.070 3.642 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
129 1 41 GLU HB3 1 41 GLU HG3 2.600 . 3.400 2.913 2.424 3.010 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
130 1 41 GLU HB2 1 41 GLU HG3 2.900 . 3.900 2.503 2.208 2.824 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
131 1 60 GLN HA 1 60 GLN HG3 3.400 . 4.900 3.224 2.629 3.732 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
132 1 35 GLN HB3 1 35 GLN HG3 2.400 . 3.100 2.461 2.325 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
133 1 35 GLN HB3 1 35 GLN HG2 2.200 . 2.800 2.464 2.257 2.967 0.167 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
134 1 35 GLN HA 1 35 GLN HG3 3.300 . 4.600 2.835 2.265 3.641 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
135 1 25 PHE QE 1 30 GLN QG 3.800 . 5.600 4.087 3.558 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
136 1 25 PHE HZ 1 30 GLN QG 3.700 . 5.400 3.435 2.989 4.098 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
137 1 30 GLN HB2 1 30 GLN QG 2.000 . 2.500 2.181 2.127 2.520 0.020 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
138 1 30 GLN HA 1 30 GLN QG 2.900 . 4.000 2.426 2.226 2.605 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
139 1 27 LYS HA 1 30 GLN QG 3.800 . 5.600 4.254 3.865 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
140 1 36 LYS HB3 1 38 VAL MG1 2.900 . 4.000 2.286 1.909 2.649 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
141 1 5 GLN QG 1 20 ALA MB 3.500 . 5.000 3.778 3.335 4.413 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
142 1 38 VAL HB 1 38 VAL QG 2.200 . 2.800 1.898 1.896 1.899 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
143 1 33 ILE MG 1 38 VAL HB 4.100 . 6.000 4.378 4.146 4.830 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
144 1 38 VAL HB 1 40 ILE MD 3.900 . 5.800 3.497 3.162 3.824 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
145 1 38 VAL HB 1 40 ILE HB 3.500 . 5.000 2.913 2.670 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
146 1 36 LYS HB2 1 38 VAL QG 3.000 . 4.100 2.527 2.261 2.840 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
147 1 36 LYS HB2 1 36 LYS HG2 2.600 . 3.500 2.978 2.586 3.009 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
148 1 36 LYS HB2 1 36 LYS HG3 2.000 . 2.500 2.448 2.207 2.621 0.121 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
149 1 36 LYS HA 1 36 LYS HB2 2.800 . 3.800 3.022 2.975 3.032 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
150 1 10 ARG HB3 1 10 ARG HG2 2.300 . 3.000 2.466 2.323 2.588 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
151 1 10 ARG HB2 1 10 ARG HG2 2.500 . 3.300 3.004 2.985 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
152 1 9 LEU MD1 1 55 HIS HA 4.900 . 6.000 4.465 4.159 4.696 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
153 1 55 HIS HA 1 58 LEU QD 3.200 . 4.500 3.063 2.861 3.183 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
154 1 55 HIS HA 1 58 LEU HG 4.300 . 6.000 5.008 4.840 5.176 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
155 1 55 HIS HA 1 58 LEU HB3 2.400 . 3.100 2.426 2.224 2.590 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
156 1 55 HIS HA 1 55 HIS HB2 2.800 . 3.800 2.999 2.975 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
157 1 55 HIS HA 1 55 HIS HB3 2.500 . 3.300 2.600 2.531 2.661 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
158 1 54 TYR QD 1 55 HIS HA 3.900 . 5.800 3.425 2.937 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
159 1 62 VAL HA 1 62 VAL HB 2.800 . 3.800 3.022 3.007 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
160 1 55 HIS HA 1 59 ILE HG13 3.700 . 5.400 3.372 3.075 3.707 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
161 1 31 LYS QD 1 34 SER QB 3.100 . 4.300 3.513 2.959 4.445 0.145 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
162 1 62 VAL HA 1 62 VAL QG 2.400 . 3.100 2.106 2.042 2.162 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
163 1 18 ARG HB2 1 52 CYS HB3 4.000 . 6.000 4.313 3.539 4.601 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
164 1 18 ARG HB2 1 52 CYS HB2 4.200 . 6.000 3.985 3.323 4.341 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
165 1 18 ARG HB3 1 52 CYS HB3 3.600 . 5.300 3.059 2.772 3.805 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
166 1 18 ARG HB3 1 52 CYS HB2 3.600 . 5.200 3.136 2.505 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
167 1 7 CYS HB2 1 52 CYS HB3 2.700 . 3.600 2.336 2.076 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
168 1 7 CYS HB2 1 52 CYS HB2 3.200 . 4.500 3.923 3.605 4.144 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
169 1 7 CYS HB3 1 52 CYS HB3 3.800 . 5.600 3.995 3.674 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
170 1 7 CYS HB3 1 52 CYS HB2 4.300 . 6.000 5.474 5.150 5.859 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
171 1 29 ILE HA 1 29 ILE MG 2.500 . 3.300 2.443 2.354 2.517 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
172 1 29 ILE HA 1 29 ILE HG12 2.900 . 4.000 2.439 2.334 2.524 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
173 1 29 ILE HA 1 29 ILE HG13 3.300 . 4.600 3.085 2.903 3.288 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
174 1 29 ILE HA 1 29 ILE HB 2.900 . 3.900 3.023 3.019 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
175 1 48 HIS HB2 1 48 HIS HD2 3.900 . 5.800 3.781 3.497 3.920 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
176 1 48 HIS HA 1 48 HIS HB2 2.900 . 3.900 2.455 2.381 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
177 1 33 ILE HA 1 33 ILE MG 2.600 . 3.500 2.457 2.378 2.610 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
178 1 33 ILE HA 1 33 ILE HG12 2.800 . 3.800 2.590 2.469 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
179 1 33 ILE HA 1 36 LYS HB2 3.100 . 4.300 2.566 2.186 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
180 1 11 GLU HB2 1 40 ILE MG 4.600 . 6.000 4.390 3.892 4.796 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
181 1 11 GLU HA 1 11 GLU HB2 2.700 . 3.600 2.487 2.411 2.584 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
182 1 62 VAL HB 1 62 VAL QG 2.200 . 2.800 1.894 1.876 1.900 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
183 1 14 GLU HB2 1 14 GLU HG3 2.500 . 3.300 2.526 2.325 3.003 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
184 1 51 ILE MD 1 56 LYS HB3 5.200 . 6.000 3.968 3.676 4.254 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
185 1 31 LYS HA 1 31 LYS HB3 2.600 . 3.400 2.855 2.639 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
186 1 44 LYS HA 1 44 LYS HB3 2.500 . 3.300 2.455 2.325 2.608 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
187 1 18 ARG HB2 1 52 CYS HB2 4.900 . 6.000 4.528 3.347 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
188 1 18 ARG HB2 1 18 ARG HD2 3.300 . 4.600 2.524 2.266 3.209 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
189 1 18 ARG HB2 1 52 CYS HB3 5.100 . 6.000 4.716 3.562 5.200 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
190 1 18 ARG HB2 1 18 ARG HD3 4.000 . 6.000 3.119 2.524 3.693 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
191 1 39 LYS QB 1 39 LYS HG2 2.400 . 3.100 2.485 2.307 2.528 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
192 1 39 LYS QB 1 39 LYS HG3 2.300 . 3.000 2.180 2.126 2.376 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
193 1 37 LYS QB 1 37 LYS QG 2.300 . 2.900 2.022 1.996 2.084 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
194 1 59 ILE HA 1 59 ILE HG12 2.900 . 4.000 2.533 2.417 2.656 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
195 1 59 ILE MD 1 59 ILE HG13 2.200 . 2.800 2.122 2.119 2.126 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
196 1 28 ARG HB3 1 28 ARG QD 2.900 . 4.000 2.720 2.304 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
197 1 28 ARG HB2 1 28 ARG QD 3.600 . 5.200 3.517 3.349 3.610 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
198 1 16 CYS HA 1 16 CYS HB2 2.700 . 3.600 2.558 2.452 2.791 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
199 1 54 TYR HA 1 57 ASN HB3 3.300 . 4.700 3.673 3.447 3.984 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
200 1 54 TYR HA 1 54 TYR HB2 2.600 . 3.400 2.431 2.352 2.596 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
201 1 32 SER HA 1 32 SER QB 2.500 . 3.300 2.377 2.190 2.514 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
202 1 32 SER HA 1 35 GLN HB2 3.400 . 4.900 3.436 2.701 4.180 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
203 1 32 SER HA 1 35 GLN HB3 3.800 . 5.600 3.609 2.915 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
204 1 51 ILE MD 1 56 LYS HA 2.500 . 3.300 2.486 2.141 2.802 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
205 1 56 LYS HA 1 56 LYS HG2 3.400 . 4.900 2.810 2.644 3.092 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
206 1 56 LYS HA 1 56 LYS HG3 2.900 . 4.000 2.792 2.635 2.986 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
207 1 56 LYS HA 1 56 LYS HB2 2.500 . 3.300 2.476 2.419 2.536 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
208 1 7 CYS HA 1 7 CYS HB2 2.700 . 3.600 2.448 2.379 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
209 1 7 CYS HA 1 20 ALA HA 3.800 . 5.600 3.450 2.959 3.756 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
210 1 7 CYS HA 1 51 ILE MG 4.600 . 6.000 4.399 4.151 4.735 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
211 1 7 CYS HA 1 20 ALA MB 2.800 . 3.800 3.196 2.861 3.803 0.003 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
212 1 7 CYS HA 1 51 ILE HA 2.700 . 3.600 2.899 2.631 3.144 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
213 1 38 VAL HA 1 38 VAL MG1 2.500 . 3.300 2.316 2.271 2.400 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
214 1 38 VAL HA 1 38 VAL HB 2.600 . 3.400 2.489 2.425 2.536 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
215 1 34 SER HA 1 34 SER QB 2.400 . 3.100 2.386 2.242 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
216 1 33 ILE MG 1 34 SER HA 3.700 . 5.400 3.343 2.966 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
217 1 61 SER HA 1 61 SER HB3 2.400 . 3.100 2.654 2.385 3.016 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
218 1 61 SER HA 1 62 VAL MG2 4.300 . 6.000 4.567 4.141 5.013 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
219 1 50 TYR HA 1 50 TYR QD 3.100 . 4.300 2.839 2.410 3.101 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
220 1 50 TYR HA 1 51 ILE HG12 4.200 . 6.000 3.399 3.284 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
221 1 20 ALA MB 1 50 TYR HA 5.100 . 6.000 4.251 3.986 4.698 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
222 1 24 SER HA 1 50 TYR HA 2.500 . 3.300 2.447 2.108 2.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
223 1 9 LEU MD1 1 55 HIS HB3 3.000 . 4.100 2.482 2.268 2.717 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
224 1 9 LEU MD1 1 55 HIS HB2 2.800 . 3.700 2.705 2.509 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
225 1 55 HIS HB3 1 59 ILE MD 3.700 . 5.400 2.583 2.279 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
226 1 51 ILE MG 1 55 HIS HB3 5.300 . 6.000 4.197 3.928 4.485 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
227 1 51 ILE HG12 1 55 HIS HB2 4.500 . 6.000 3.999 3.801 4.171 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
228 1 51 ILE HB 1 55 HIS HB3 3.800 . 5.600 3.851 3.594 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
229 1 40 ILE HA 1 40 ILE MG 2.800 . 3.800 2.409 2.348 2.522 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
230 1 40 ILE HA 1 40 ILE MD 3.700 . 5.400 3.808 3.736 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
231 1 40 ILE HA 1 40 ILE HG12 2.800 . 3.800 2.502 2.393 2.613 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
232 1 40 ILE HA 1 40 ILE HB 2.800 . 3.800 2.707 2.661 2.751 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
233 1 27 LYS HA 1 27 LYS HG2 3.200 . 4.500 3.112 2.250 3.742 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
234 1 27 LYS HA 1 27 LYS HG3 3.400 . 4.800 3.655 2.160 4.239 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
235 1 27 LYS HA 1 27 LYS QD 3.400 . 4.900 3.383 1.924 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
236 1 27 LYS HA 1 27 LYS QB 2.300 . 3.000 2.263 2.144 2.472 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
237 1 27 LYS HA 1 30 GLN HB3 2.700 . 3.600 2.627 2.238 3.126 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
238 1 30 GLN HA 1 33 ILE MD 3.000 . 4.100 2.427 2.062 2.927 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
239 1 30 GLN HA 1 33 ILE MG 4.500 . 6.000 4.173 3.787 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
240 1 30 GLN HA 1 33 ILE HG12 4.200 . 6.000 4.884 4.625 5.171 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
241 1 30 GLN HA 1 33 ILE HG13 3.600 . 5.200 3.645 3.260 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
242 1 30 GLN HA 1 30 GLN HB2 2.600 . 3.500 2.467 2.361 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
243 1 30 GLN HA 1 30 GLN HB3 2.400 . 3.100 2.330 2.171 2.457 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
244 1 28 ARG HA 1 28 ARG HG2 2.800 . 3.800 2.730 2.546 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
245 1 28 ARG HA 1 28 ARG HG3 3.000 . 4.100 3.580 3.161 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
246 1 28 ARG HA 1 28 ARG HB2 2.500 . 3.300 2.355 2.261 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
247 1 28 ARG HA 1 28 ARG HB3 2.600 . 3.400 3.007 2.947 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
248 1 28 ARG HA 1 31 LYS HB3 2.700 . 3.600 3.543 2.677 3.829 0.229 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
249 1 44 LYS HA 1 44 LYS HB2 2.700 . 3.600 3.013 2.990 3.022 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
250 1 58 LEU HA 1 58 LEU HG 2.600 . 3.500 2.444 2.362 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
251 1 44 LYS HA 1 44 LYS HG3 3.100 . 4.300 3.582 2.356 3.831 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
252 1 42 LEU QD 1 44 LYS HA 3.600 . 5.300 3.271 2.674 3.920 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
253 1 42 LEU HG 1 44 LYS HA 3.900 . 5.800 4.067 3.414 4.667 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
254 1 58 LEU HA 1 58 LEU MD2 2.900 . 4.000 2.863 2.504 3.272 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
255 1 58 LEU HA 1 58 LEU HB2 2.500 . 3.300 2.569 2.484 2.641 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
256 1 58 LEU HA 1 58 LEU HB3 2.900 . 3.900 3.004 2.982 3.018 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
257 1 31 LYS HA 1 31 LYS HG2 3.300 . 4.700 2.573 2.030 4.013 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
258 1 31 LYS HA 1 31 LYS HG3 3.300 . 4.700 3.446 2.705 3.691 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
259 1 30 GLN HB3 1 31 LYS HA 4.200 . 6.000 3.717 3.329 3.975 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
260 1 8 CYS HA 1 8 CYS HB2 2.900 . 4.000 2.641 2.386 3.022 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
261 1 8 CYS HA 1 8 CYS HB3 2.700 . 3.600 2.503 2.340 2.725 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
262 1 8 CYS HA 1 46 ALA MB 3.200 . 4.500 3.717 3.102 4.310 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
263 1 45 SER HA 1 45 SER HB3 2.500 . 3.300 2.596 2.298 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
264 1 8 CYS HB3 1 42 LEU QD 3.200 . 4.500 3.866 2.387 4.621 0.121 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
265 1 8 CYS HB3 1 46 ALA MB 2.800 . 3.800 3.002 2.234 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
266 1 8 CYS HB2 1 46 ALA MB 4.100 . 6.000 3.063 2.377 3.938 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
267 1 29 ILE MD 1 29 ILE HG12 2.400 . 3.100 1.991 1.958 2.022 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
268 1 33 ILE MD 1 33 ILE HG13 2.200 . 2.800 2.120 2.119 2.122 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
269 1 33 ILE HB 1 33 ILE HG13 2.200 . 2.800 2.524 2.446 2.594 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
270 1 31 LYS HA 1 31 LYS QD 3.300 . 4.700 2.694 2.245 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
271 1 35 GLN HA 1 35 GLN HB2 2.600 . 3.400 2.670 2.481 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
272 1 60 GLN HA 1 60 GLN QB 2.600 . 3.400 2.466 2.393 2.516 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
273 1 57 ASN HA 1 60 GLN QB 2.800 . 3.800 2.888 2.637 3.161 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
274 1 60 GLN QB 1 60 GLN HG2 1.900 . 2.300 2.430 2.322 2.507 0.207 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
275 1 18 ARG HA 1 18 ARG HG2 3.300 . 4.700 2.973 2.547 3.270 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
276 1 18 ARG HA 1 18 ARG HG3 4.100 . 6.000 2.566 2.369 2.819 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
277 1 56 LYS HD2 1 56 LYS HG2 2.300 . 3.000 2.536 2.430 2.739 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
278 1 5 GLN QB 1 5 GLN QG 2.000 . 2.500 2.028 1.962 2.085 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
279 1 5 GLN QB 1 20 ALA MB 2.300 . 3.000 2.285 1.876 2.678 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
280 1 15 ARG HB3 1 15 ARG HD3 4.300 . 6.000 3.680 3.386 3.868 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
281 1 30 GLN HA 1 30 GLN HB3 3.000 . 4.200 3.024 3.012 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
282 1 27 LYS HA 1 30 GLN HB2 3.000 . 4.200 3.069 2.623 3.442 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
283 1 10 ARG HG3 1 15 ARG HA 5.100 . 6.000 4.243 3.757 4.724 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
284 1 10 ARG HG3 1 43 ASP HB2 3.200 . 4.500 2.842 2.271 3.437 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
285 1 40 ILE HA 1 40 ILE HG13 3.200 . 4.500 3.054 2.953 3.163 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
286 1 11 GLU HB3 1 40 ILE HG13 3.300 . 4.700 3.723 3.316 4.297 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
287 1 11 GLU HB3 1 40 ILE HG12 3.300 . 4.700 3.140 2.775 3.614 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
288 1 40 ILE HG13 1 40 ILE MG 3.600 . 5.200 3.201 3.194 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
289 1 40 ILE HG12 1 40 ILE MG 2.900 . 4.000 2.409 2.336 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
290 1 40 ILE MD 1 40 ILE HG12 2.300 . 3.000 2.118 2.116 2.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
291 1 47 ARG HB3 1 47 ARG HG2 2.800 . 3.800 2.483 2.208 2.977 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
292 1 47 ARG QD 1 47 ARG HG2 2.400 . 3.100 2.273 2.148 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
293 1 51 ILE HA 1 51 ILE MG 2.700 . 3.600 2.347 2.288 2.403 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
294 1 20 ALA MB 1 51 ILE HA 4.600 . 6.000 3.937 3.543 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
295 1 51 ILE HA 1 51 ILE HG13 4.400 . 6.000 3.706 3.661 3.747 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
296 1 9 LEU MD1 1 51 ILE HA 4.500 . 6.000 4.101 3.794 4.376 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
297 1 60 GLN HA 1 60 GLN HG2 2.900 . 4.000 2.297 2.066 2.722 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
298 1 59 ILE MG 1 60 GLN HA 3.400 . 4.800 3.404 3.225 3.608 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
299 1 25 PHE HA 1 29 ILE HB 3.500 . 5.000 3.676 3.450 3.960 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
300 1 25 PHE HA 1 51 ILE MD 3.800 . 5.600 3.383 2.989 3.689 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
301 1 25 PHE HA 1 29 ILE MD 2.900 . 3.900 2.266 1.981 2.777 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
302 1 25 PHE HA 1 51 ILE MG 3.500 . 5.000 3.404 3.071 3.630 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
303 1 52 CYS HA 1 52 CYS HB2 2.800 . 3.800 2.509 2.476 2.548 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
304 1 7 CYS HB2 1 52 CYS HA 4.300 . 6.000 4.283 4.028 4.721 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
305 1 52 CYS HA 1 52 CYS HB3 2.700 . 3.600 2.401 2.371 2.431 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
306 1 20 ALA HA 1 52 CYS HA 2.500 . 3.300 2.436 2.064 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
307 1 20 ALA MB 1 52 CYS HA 4.300 . 6.000 3.889 3.641 4.086 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
308 1 53 ASP HA 1 56 LYS HD2 4.000 . 6.000 4.937 4.524 5.094 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
309 1 53 ASP HA 1 56 LYS HB2 3.000 . 4.100 3.114 2.878 3.351 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
310 1 53 ASP HA 1 56 LYS HB3 2.300 . 3.000 2.465 2.298 2.595 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
311 1 53 ASP HA 1 53 ASP QB 2.600 . 3.400 2.418 2.258 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
312 1 53 ASP HA 1 56 LYS HG3 5.100 . 6.000 4.876 4.667 5.040 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
313 1 53 ASP HA 1 56 LYS HG2 5.500 . 6.000 4.907 4.523 5.113 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
314 1 62 VAL MG1 1 63 ARG HA 4.000 . 6.000 3.725 3.337 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
315 1 63 ARG HA 1 63 ARG QG 2.900 . 4.000 2.486 2.199 2.849 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
316 1 63 ARG HA 1 63 ARG HB2 2.600 . 3.500 3.010 2.951 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
317 1 63 ARG HA 1 63 ARG HB3 2.500 . 3.300 2.446 2.297 2.724 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
318 1 25 PHE HA 1 25 PHE QD 2.700 . 3.600 2.645 2.353 2.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
319 1 35 GLN HA 1 35 GLN HB3 2.700 . 3.600 2.962 2.741 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
320 1 35 GLN HA 1 35 GLN HG2 3.200 . 4.500 3.509 2.040 3.772 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
321 1 37 LYS HA 1 37 LYS QG 2.600 . 3.500 2.397 2.073 2.720 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
322 1 37 LYS HA 1 37 LYS QB 2.300 . 2.900 2.464 2.308 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
323 1 37 LYS HA 1 38 VAL QG 4.500 . 6.000 3.661 3.500 3.795 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
324 1 37 LYS HA 1 37 LYS QD 3.000 . 4.100 2.730 1.975 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
325 1 24 SER HA 1 51 ILE HG12 3.200 . 4.500 3.419 2.930 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
326 1 10 ARG HA 1 15 ARG HA 2.400 . 3.100 2.590 2.348 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
327 1 15 ARG HA 1 15 ARG HD2 2.800 . 3.700 3.175 2.098 3.888 0.188 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
328 1 15 ARG HA 1 15 ARG HD3 3.100 . 4.300 2.908 2.096 4.319 0.019 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
329 1 15 ARG HA 1 15 ARG HB3 2.500 . 3.300 2.473 2.188 2.804 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
330 1 15 ARG HA 1 15 ARG HB2 2.500 . 3.300 2.762 2.375 3.026 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
331 1 10 ARG HB2 1 15 ARG HA 4.400 . 6.000 4.922 4.405 5.305 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
332 1 10 ARG HG2 1 15 ARG HA 2.700 . 3.600 2.737 2.232 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
333 1 57 ASN HA 1 57 ASN HB2 2.600 . 3.400 2.489 2.347 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
334 1 56 LYS HG2 1 57 ASN HA 4.200 . 6.000 3.717 3.361 4.045 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
335 1 12 ASP HA 1 12 ASP HB3 2.700 . 3.600 2.652 2.465 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
336 1 12 ASP HA 1 39 LYS QB 2.300 . 3.000 2.604 2.088 3.037 0.037 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
337 1 36 LYS HA 1 36 LYS HB3 2.200 . 2.800 2.502 2.388 2.687 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
338 1 5 GLN HA 1 5 GLN QB 2.400 . 3.100 2.323 2.235 2.429 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
339 1 5 GLN HA 1 5 GLN QG 2.700 . 3.600 2.718 2.428 3.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
340 1 38 VAL QG 1 39 LYS HA 4.600 . 6.000 4.069 3.879 4.278 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
341 1 39 LYS HA 1 39 LYS HG2 3.000 . 4.100 2.475 2.284 2.804 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
342 1 39 LYS HA 1 39 LYS HG3 3.600 . 5.200 3.545 2.720 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
343 1 39 LYS HA 1 39 LYS QD 3.600 . 5.300 3.428 2.409 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
344 1 39 LYS HA 1 39 LYS QB 2.400 . 3.100 2.364 2.279 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
345 1 9 LEU MD2 1 42 LEU HA 2.800 . 3.800 2.488 1.851 2.850 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
346 1 42 LEU HA 1 42 LEU QD 2.500 . 3.300 2.556 1.984 3.052 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
347 1 42 LEU HA 1 42 LEU HB2 2.700 . 3.600 2.390 2.336 2.465 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
348 1 42 LEU HA 1 42 LEU HG 3.500 . 5.000 2.842 2.462 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
349 1 9 LEU HA 1 42 LEU HA 2.800 . 3.800 3.133 2.833 3.430 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
350 1 48 HIS HA 1 48 HIS HB3 2.400 . 3.100 2.454 2.370 2.534 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
351 1 48 HIS HA 1 49 LEU QD 4.000 . 6.000 4.117 3.773 4.290 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
352 1 9 LEU MD1 1 9 LEU HG 2.000 . 2.500 2.129 2.125 2.132 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
353 1 9 LEU MD1 1 40 ILE MG 2.700 . 3.600 2.427 1.988 2.772 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
354 1 9 LEU MD1 1 59 ILE MD 2.700 . 3.600 2.795 2.515 3.041 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
355 1 9 LEU MD1 1 51 ILE MG 2.600 . 3.400 2.047 1.823 2.327 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
356 1 9 LEU HB3 1 9 LEU MD1 2.400 . 3.100 2.371 2.283 2.452 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
357 1 9 LEU MD1 1 9 LEU MD2 2.600 . 3.400 2.087 2.082 2.089 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
358 1 42 LEU HA 1 42 LEU MD2 4.500 . 6.000 3.855 3.681 3.954 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
359 1 42 LEU MD2 1 44 LYS HA 4.300 . 6.000 3.401 2.684 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
360 1 42 LEU HB3 1 42 LEU MD2 2.800 . 3.800 2.178 2.007 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
361 1 25 PHE QD 1 42 LEU MD2 4.400 . 6.000 3.520 2.532 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
362 1 49 LEU HB3 1 49 LEU MD1 2.700 . 3.600 2.398 2.274 2.679 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
363 1 58 LEU HA 1 58 LEU MD1 5.000 . 6.000 3.723 3.575 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
364 1 55 HIS HA 1 58 LEU MD1 4.000 . 6.000 3.180 2.942 3.435 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
365 1 51 ILE MD 1 51 ILE HG13 2.400 . 3.100 2.119 2.118 2.121 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
366 1 51 ILE HB 1 51 ILE HG13 2.600 . 3.400 2.465 2.428 2.503 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
367 1 6 LEU HA 1 6 LEU MD1 3.800 . 5.600 3.331 1.946 3.960 0.054 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
368 1 36 LYS QE 1 36 LYS HG3 3.600 . 5.200 3.177 2.482 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
369 1 36 LYS QE 1 36 LYS HG2 3.400 . 4.800 2.712 2.260 3.516 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
370 1 36 LYS HA 1 36 LYS HG2 3.200 . 4.500 2.618 2.295 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
371 1 36 LYS HB3 1 36 LYS HG3 2.800 . 3.800 2.979 2.578 3.011 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
372 1 36 LYS HB3 1 36 LYS HG2 2.400 . 3.100 2.453 2.279 2.988 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
373 1 44 LYS HA 1 44 LYS HG2 3.500 . 5.000 2.575 2.249 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
374 1 39 LYS QE 1 39 LYS HG2 4.000 . 6.000 2.925 2.419 3.508 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
375 1 42 LEU HB2 1 42 LEU MD1 2.400 . 3.100 2.221 2.144 2.397 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
376 1 42 LEU HB3 1 42 LEU MD1 3.500 . 5.000 3.069 2.842 3.196 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
377 1 9 LEU MD2 1 42 LEU MD1 3.600 . 5.300 2.789 2.389 3.160 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
378 1 25 PHE QD 1 42 LEU MD1 3.600 . 5.200 3.061 2.110 3.905 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
379 1 25 PHE QE 1 42 LEU MD1 4.200 . 6.000 3.576 2.801 4.332 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
380 1 25 PHE HB2 1 42 LEU MD1 4.700 . 6.000 3.598 2.986 4.219 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
381 1 25 PHE HB3 1 42 LEU MD1 4.100 . 6.000 3.480 2.806 4.156 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
382 1 42 LEU HA 1 42 LEU MD1 2.800 . 3.800 2.615 1.990 3.246 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
383 1 42 LEU MD1 1 44 LYS HA 4.100 . 6.000 4.754 3.928 5.338 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
384 1 42 LEU MD1 1 49 LEU HA 3.800 . 5.600 3.823 3.241 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
385 1 58 LEU HB2 1 58 LEU MD2 3.400 . 4.800 3.182 3.144 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
386 1 58 LEU MD2 1 58 LEU HG 3.200 . 4.500 2.122 2.109 2.129 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
387 1 58 LEU HB3 1 58 LEU MD2 3.000 . 4.100 2.247 2.141 2.366 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
388 1 58 LEU MD2 1 59 ILE HG13 3.800 . 5.600 3.066 2.661 3.561 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
389 1 55 HIS HD2 1 58 LEU MD2 3.500 . 5.000 3.785 3.159 4.322 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
390 1 55 HIS HA 1 58 LEU MD2 4.000 . 6.000 4.042 3.578 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
391 1 54 TYR QE 1 58 LEU MD2 4.000 . 6.000 4.931 4.473 5.337 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
392 1 49 LEU HB2 1 49 LEU MD2 3.100 . 4.300 3.191 3.116 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
393 1 49 LEU MD2 1 49 LEU HG 2.400 . 3.100 2.128 2.127 2.130 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
394 1 49 LEU HB3 1 49 LEU MD2 2.800 . 3.700 2.360 2.179 2.493 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
395 1 25 PHE QD 1 49 LEU MD2 3.600 . 5.200 2.930 2.528 3.365 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
396 1 25 PHE QE 1 49 LEU MD2 4.800 . 6.000 4.547 4.210 4.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
397 1 42 LEU QD 1 49 LEU MD2 2.200 . 2.800 2.176 1.799 2.829 0.029 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
398 1 25 PHE HB2 1 49 LEU MD2 4.100 . 6.000 3.650 3.021 4.022 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
399 1 25 PHE HB3 1 49 LEU MD2 3.000 . 4.200 2.547 2.247 2.981 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
400 1 49 LEU HA 1 49 LEU MD2 2.600 . 3.400 2.023 1.886 2.463 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
401 1 56 LYS HD3 1 56 LYS HG3 2.900 . 3.900 2.538 2.430 2.736 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
402 1 56 LYS HB2 1 56 LYS HG3 2.300 . 2.900 2.312 2.248 2.387 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
403 1 56 LYS HB3 1 56 LYS HG2 2.900 . 3.900 2.603 2.504 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
404 1 56 LYS QE 1 56 LYS HG3 4.200 . 6.000 3.529 3.364 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
405 1 9 LEU HA 1 9 LEU MD2 2.400 . 3.100 2.043 1.902 2.190 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
406 1 9 LEU HA 1 9 LEU MD1 4.600 . 6.000 3.861 3.784 3.929 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
407 1 9 LEU HA 1 9 LEU HB2 2.600 . 3.400 3.020 3.013 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
408 1 9 LEU HA 1 9 LEU HB3 2.700 . 3.600 2.456 2.392 2.545 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
409 1 9 LEU HA 1 9 LEU HG 3.100 . 4.300 3.150 3.007 3.285 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
410 1 14 GLU HA 1 14 GLU HB2 2.700 . 3.600 2.949 2.650 3.021 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
411 1 14 GLU HA 1 14 GLU HB3 2.700 . 3.600 2.668 2.404 2.982 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
412 1 14 GLU HA 1 14 GLU HG2 3.400 . 4.800 2.966 2.522 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
413 1 6 LEU HA 1 6 LEU MD2 2.500 . 3.300 2.692 1.932 3.628 0.328 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
414 1 6 LEU HA 1 20 ALA MB 4.200 . 6.000 3.491 3.036 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
415 1 6 LEU HA 1 19 ALA MB 4.900 . 6.000 3.730 3.355 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
416 1 6 LEU HA 1 6 LEU HB2 2.700 . 3.600 2.952 2.779 3.021 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
417 1 6 LEU HA 1 6 LEU HB3 2.600 . 3.400 2.232 1.988 2.409 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
418 1 42 LEU QD 1 49 LEU HA 3.600 . 5.200 3.727 3.194 4.287 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
419 1 11 GLU HA 1 40 ILE HG12 3.000 . 4.100 2.745 2.154 3.096 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
420 1 49 LEU HA 1 49 LEU HG 3.400 . 4.900 3.051 2.692 3.215 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
421 1 49 LEU HA 1 49 LEU HB3 2.700 . 3.600 2.497 2.433 2.557 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
422 1 10 ARG HA 1 10 ARG HG2 2.900 . 3.900 2.641 2.420 2.896 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
423 1 10 ARG HA 1 10 ARG HB2 3.000 . 4.100 3.015 2.983 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
424 1 10 ARG HA 1 10 ARG HG3 3.300 . 4.700 3.262 2.923 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
425 1 10 ARG HA 1 10 ARG HB3 3.000 . 4.100 2.403 2.311 2.500 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
426 1 10 ARG HA 1 15 ARG HB3 4.300 . 6.000 4.250 3.499 4.625 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
427 1 11 GLU HA 1 40 ILE HG13 4.200 . 6.000 3.855 3.596 4.252 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
428 1 11 GLU HA 1 11 GLU HB3 2.600 . 3.400 2.330 2.176 2.456 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
429 1 11 GLU HA 1 40 ILE MG 4.600 . 6.000 4.091 3.558 4.445 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
430 1 11 GLU HA 1 40 ILE MD 3.900 . 5.800 4.101 3.403 4.461 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
431 1 41 GLU HA 1 41 GLU HB2 2.800 . 3.800 2.463 2.316 3.013 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
432 1 41 GLU HA 1 41 GLU HB3 2.500 . 3.300 2.460 2.293 2.618 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
433 1 41 GLU HA 1 41 GLU HG3 3.300 . 4.700 3.749 3.119 4.240 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
434 1 40 ILE MG 1 41 GLU HA 4.100 . 6.000 3.523 3.185 3.802 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
435 1 6 LEU MD2 1 19 ALA HA 2.800 . 3.800 3.065 1.903 4.165 0.365 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
436 1 6 LEU MD1 1 19 ALA HA 4.400 . 6.000 4.041 1.882 5.300 0.018 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
437 1 19 ALA HA 1 20 ALA MB 4.500 . 6.000 4.055 3.991 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
438 1 6 LEU HB3 1 19 ALA HA 4.100 . 6.000 3.291 2.327 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
439 1 46 ALA HA 1 46 ALA MB 2.200 . 2.800 2.124 2.082 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
440 1 20 ALA HA 1 20 ALA MB 2.400 . 3.100 2.130 2.124 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
441 1 20 ALA HA 1 52 CYS HB2 4.400 . 6.000 4.106 3.779 4.415 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
442 1 23 ALA HA 1 23 ALA MB 2.300 . 3.000 2.123 2.078 2.128 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
443 1 6 LEU HA 1 19 ALA HA 2.400 . 3.100 2.168 1.891 2.490 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
444 1 6 LEU MD2 1 19 ALA MB 3.200 . 4.400 3.802 2.752 4.680 0.280 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
445 1 6 LEU HB2 1 6 LEU MD2 3.000 . 4.100 2.951 2.295 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
446 1 9 LEU MD2 1 40 ILE MG 2.700 . 3.600 2.673 2.243 3.106 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
447 1 9 LEU HB3 1 9 LEU MD2 3.400 . 4.800 2.376 2.306 2.469 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
448 1 9 LEU MD2 1 25 PHE HB2 4.600 . 6.000 3.624 3.125 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
449 1 33 ILE HA 1 38 VAL MG2 3.300 . 4.700 3.116 2.757 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
450 1 38 VAL HA 1 38 VAL MG2 3.300 . 4.700 3.200 3.192 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
451 1 38 VAL MG2 1 40 ILE HB 2.800 . 3.700 2.143 1.940 2.458 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
452 1 36 LYS HB2 1 38 VAL MG2 2.900 . 4.000 2.828 2.534 3.278 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
453 1 38 VAL HB 1 38 VAL MG2 2.400 . 3.100 2.131 2.126 2.132 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
454 1 36 LYS HB2 1 38 VAL MG1 3.000 . 4.100 2.892 2.451 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
455 1 38 VAL HB 1 38 VAL MG1 2.300 . 3.000 2.130 2.129 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
456 1 62 VAL HB 1 62 VAL MG1 2.200 . 2.800 2.129 2.093 2.137 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
457 1 62 VAL HA 1 62 VAL MG1 2.800 . 3.800 2.428 2.270 2.580 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
458 1 59 ILE HA 1 62 VAL MG2 3.600 . 5.200 3.071 2.608 3.930 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
459 1 62 VAL HA 1 62 VAL MG2 2.900 . 3.900 2.319 2.154 2.468 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
460 1 40 ILE HB 1 40 ILE MG 2.400 . 3.100 2.129 2.127 2.130 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
461 1 11 GLU HB3 1 40 ILE MG 4.300 . 6.000 4.541 4.219 4.817 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
462 1 20 ALA MB 1 21 GLY HA2 5.100 . 6.000 4.125 3.991 4.251 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
463 1 9 LEU MD2 1 51 ILE MG 3.100 . 4.300 2.638 2.235 3.126 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
464 1 51 ILE MD 1 51 ILE MG 2.400 . 3.100 1.917 1.871 1.974 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
465 1 25 PHE QD 1 51 ILE MG 4.100 . 6.000 2.931 2.501 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
466 1 9 LEU HG 1 51 ILE MG 2.700 . 3.600 2.221 1.919 2.418 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
467 1 25 PHE HB3 1 51 ILE MG 4.700 . 6.000 3.893 3.457 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
468 1 24 SER HA 1 51 ILE MG 4.800 . 6.000 3.788 3.451 4.126 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
469 1 23 ALA MB 1 51 ILE MD 2.800 . 3.800 2.470 2.117 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
470 1 23 ALA MB 1 51 ILE HG12 2.900 . 3.900 2.604 2.112 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
471 1 23 ALA MB 1 56 LYS HD3 2.600 . 3.400 2.096 1.831 2.788 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
472 1 23 ALA MB 1 56 LYS HB2 3.000 . 4.100 2.624 2.271 3.131 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
473 1 23 ALA MB 1 56 LYS QE 3.700 . 5.400 3.595 3.125 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
474 1 23 ALA MB 1 56 LYS HA 4.900 . 6.000 3.990 3.610 4.366 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
475 1 42 LEU QD 1 46 ALA MB 3.300 . 4.700 3.447 2.791 3.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
476 1 28 ARG QD 1 29 ILE MG 4.900 . 6.000 4.167 3.754 4.651 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
477 1 25 PHE HA 1 29 ILE MG 3.500 . 5.000 3.697 3.415 3.941 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
478 1 25 PHE QD 1 29 ILE MG 3.100 . 4.300 2.873 2.598 3.165 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
479 1 25 PHE QE 1 29 ILE MG 3.000 . 4.100 2.966 2.505 3.311 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
480 1 29 ILE HG13 1 29 ILE MG 3.200 . 4.500 3.197 3.184 3.206 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
481 1 29 ILE HB 1 29 ILE MG 2.400 . 3.100 2.125 2.085 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
482 1 29 ILE MG 1 59 ILE HB 3.500 . 5.000 3.049 2.689 3.365 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
483 1 28 ARG QD 1 59 ILE MG 3.500 . 5.000 4.070 3.518 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
484 1 59 ILE HA 1 59 ILE MG 2.900 . 3.900 2.364 2.258 2.513 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
485 1 29 ILE HA 1 59 ILE MG 3.500 . 5.000 2.834 2.398 3.486 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
486 1 32 SER QB 1 59 ILE MG 2.900 . 4.000 2.317 1.925 2.717 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
487 1 33 ILE HG13 1 59 ILE MG 2.800 . 3.800 2.556 2.211 2.980 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
488 1 59 ILE HB 1 59 ILE MG 2.400 . 3.100 2.119 2.083 2.129 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
489 1 33 ILE MG 1 40 ILE HB 2.900 . 4.000 2.671 2.242 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
490 1 33 ILE HG13 1 33 ILE MG 3.500 . 5.000 3.192 3.162 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
491 1 33 ILE MG 1 36 LYS HB2 3.500 . 5.000 3.581 3.101 4.030 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
492 1 45 SER HA 1 45 SER HB2 2.600 . 3.400 2.497 2.255 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
493 1 44 LYS HA 1 44 LYS QD 3.200 . 4.500 3.243 2.214 4.093 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
494 1 15 ARG HD2 1 43 ASP HB2 4.800 . 6.000 4.108 3.383 5.144 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
495 1 18 ARG HD3 1 54 TYR HB2 3.100 . 4.300 2.594 2.032 3.461 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
496 1 18 ARG HD2 1 54 TYR HB2 2.400 . 3.100 2.620 1.986 3.131 0.031 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
497 1 8 CYS HB3 1 49 LEU HA 4.400 . 6.000 4.624 3.519 5.584 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
498 1 8 CYS HB2 1 42 LEU QD 4.400 . 6.000 3.355 2.655 4.022 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
499 1 43 ASP HB2 1 46 ALA MB 4.900 . 6.000 4.370 3.777 4.877 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
500 1 7 CYS HB3 1 16 CYS HB3 2.600 . 3.400 1.985 1.878 2.217 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
501 1 7 CYS HB3 1 16 CYS HB2 3.800 . 5.600 2.948 2.320 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
502 1 15 ARG H 1 15 ARG HB2 2.500 . 3.300 2.269 2.045 2.605 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
503 1 15 ARG H 1 15 ARG HB3 2.400 . 3.100 2.758 2.132 3.208 0.108 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
504 1 14 GLU HB3 1 15 ARG H 3.300 . 4.600 3.331 2.675 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
505 1 14 GLU HA 1 15 ARG H 2.400 . 3.100 2.153 2.092 2.256 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
506 1 38 VAL QG 1 39 LYS H 3.700 . 5.400 3.055 2.871 3.210 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
507 1 39 LYS H 1 39 LYS HG2 3.300 . 4.700 3.017 2.325 4.142 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
508 1 39 LYS H 1 39 LYS HG3 2.900 . 4.000 2.919 2.292 3.719 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
509 1 39 LYS H 1 39 LYS QD 3.800 . 5.600 4.313 3.890 4.558 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
510 1 39 LYS H 1 39 LYS QB 2.400 . 3.100 2.444 2.230 2.634 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
511 1 38 VAL HB 1 39 LYS H 2.700 . 3.600 2.234 1.942 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
512 1 38 VAL HA 1 39 LYS H 2.200 . 2.800 2.486 2.344 2.640 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
513 1 3 ALA MB 1 4 GLY H 3.500 . 5.000 3.460 2.664 3.709 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
514 1 4 GLY H 1 4 GLY HA2 2.500 . 3.300 2.771 2.309 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
515 1 3 ALA HA 1 4 GLY H 2.700 . 3.600 2.749 2.150 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
516 1 4 GLY H 1 5 GLN H 2.900 . 4.000 2.846 2.242 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
517 1 9 LEU MD2 1 43 ASP H 4.400 . 6.000 3.660 3.056 4.121 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
518 1 42 LEU MD1 1 43 ASP H 2.900 . 4.000 2.890 1.837 4.174 0.174 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
519 1 42 LEU HB2 1 43 ASP H 4.200 . 6.000 4.027 3.816 4.251 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
520 1 42 LEU HG 1 43 ASP H 3.900 . 5.800 2.543 1.996 2.935 0.004 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
521 1 43 ASP H 1 43 ASP HB2 2.900 . 3.900 2.572 2.197 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
522 1 43 ASP H 1 43 ASP HB3 2.700 . 3.600 2.608 2.312 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
523 1 42 LEU HA 1 43 ASP H 2.300 . 3.000 2.157 2.105 2.214 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
524 1 43 ASP H 1 43 ASP HA 2.900 . 3.900 2.888 2.808 2.938 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
525 1 6 LEU H 1 6 LEU MD2 3.900 . 5.800 3.960 3.294 4.718 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
526 1 6 LEU H 1 6 LEU MD1 4.100 . 6.000 3.749 2.980 4.232 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
527 1 6 LEU H 1 6 LEU HB2 2.700 . 3.600 2.574 2.332 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
528 1 5 GLN QG 1 6 LEU H 4.200 . 6.000 4.042 3.712 4.605 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
529 1 5 GLN HA 1 6 LEU H 2.300 . 2.900 2.563 2.259 2.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
530 1 14 GLU HG3 1 15 ARG H 4.600 . 6.000 4.837 3.400 5.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
531 1 14 GLU HG2 1 15 ARG H 4.500 . 6.000 4.810 3.856 5.287 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
532 1 39 LYS H 1 40 ILE H 3.300 . 4.700 3.530 3.133 3.773 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
533 1 51 ILE HG12 1 52 CYS H 4.300 . 6.000 3.507 3.348 3.658 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
534 1 51 ILE HG13 1 52 CYS H 4.200 . 6.000 3.551 3.115 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
535 1 51 ILE HB 1 52 CYS H 2.700 . 3.600 2.328 1.941 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
536 1 52 CYS H 1 52 CYS HB2 3.200 . 4.500 3.600 3.566 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
537 1 7 CYS HB2 1 52 CYS H 3.000 . 4.100 3.079 2.580 3.667 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
538 1 7 CYS HB3 1 52 CYS H 4.400 . 6.000 4.499 4.136 4.898 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
539 1 52 CYS H 1 52 CYS HB3 3.800 . 5.600 2.795 2.659 2.966 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
540 1 20 ALA HA 1 52 CYS H 4.600 . 6.000 3.738 3.116 4.248 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
541 1 52 CYS H 1 55 HIS HB3 4.200 . 6.000 4.989 4.637 5.329 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
542 1 7 CYS HA 1 52 CYS H 4.000 . 6.000 3.503 3.138 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
543 1 51 ILE HA 1 52 CYS H 2.600 . 3.400 2.429 2.206 2.630 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
544 1 25 PHE H 1 51 ILE HG12 3.400 . 4.800 3.288 2.596 3.958 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
545 1 25 PHE H 1 49 LEU HB2 4.600 . 6.000 4.056 3.606 4.480 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
546 1 25 PHE H 1 49 LEU HB3 3.100 . 4.300 2.746 2.326 3.134 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
547 1 25 PHE H 1 25 PHE HB2 3.100 . 4.300 2.641 2.336 3.022 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
548 1 25 PHE H 1 25 PHE HB3 3.100 . 4.300 2.524 2.368 2.668 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
549 1 24 SER QB 1 25 PHE H 3.500 . 5.000 2.689 2.052 3.233 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
550 1 24 SER HA 1 25 PHE H 2.800 . 3.800 2.335 2.140 2.749 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
551 1 3 ALA H 1 3 ALA MB 3.000 . 4.200 2.656 2.263 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
552 1 2 ASN QB 1 3 ALA H 3.800 . 5.600 3.669 2.714 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
553 1 23 ALA H 1 23 ALA MB 2.400 . 3.100 2.313 2.210 2.803 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
554 1 22 ASN HB2 1 23 ALA H 3.500 . 5.000 3.985 2.689 4.676 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
555 1 21 GLY HA2 1 23 ALA H 4.100 . 6.000 4.762 4.201 5.269 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
556 1 23 ALA H 1 23 ALA HA 2.800 . 3.800 2.880 2.766 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
557 1 46 ALA H 1 46 ALA MB 2.600 . 3.500 2.246 2.064 2.391 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
558 1 43 ASP HB3 1 46 ALA H 3.800 . 5.600 3.452 2.884 4.256 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
559 1 45 SER HA 1 46 ALA H 4.100 . 6.000 3.358 2.899 3.541 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
560 1 55 HIS H 1 55 HIS HB2 2.900 . 4.000 2.288 2.204 2.380 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
561 1 54 TYR HB2 1 55 HIS H 4.500 . 6.000 3.686 3.416 3.821 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
562 1 54 TYR HB3 1 55 HIS H 2.700 . 3.600 2.227 2.083 2.395 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
563 1 55 HIS H 1 55 HIS HB3 3.100 . 4.300 3.551 3.506 3.586 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
564 1 55 HIS H 1 55 HIS HA 3.000 . 4.100 2.823 2.797 2.866 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
565 1 54 TYR QD 1 55 HIS H 4.000 . 6.000 2.943 2.590 3.403 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
566 1 55 HIS H 1 56 LYS H 2.800 . 3.800 2.658 2.536 2.768 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
567 1 8 CYS H 1 51 ILE MG 3.300 . 4.700 3.298 2.909 3.688 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
568 1 8 CYS H 1 20 ALA MB 4.400 . 6.000 4.658 4.124 5.126 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
569 1 8 CYS H 1 9 LEU HG 4.300 . 6.000 3.280 2.940 3.737 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
570 1 8 CYS H 1 8 CYS HG 2.800 . 3.800 2.927 2.239 3.801 0.001 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
571 1 8 CYS H 1 8 CYS HB2 3.000 . 4.200 3.279 2.306 3.822 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
572 1 8 CYS H 1 8 CYS HB3 3.300 . 4.700 3.212 2.727 3.834 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
573 1 7 CYS HA 1 8 CYS H 2.300 . 3.000 2.279 2.163 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
574 1 8 CYS H 1 51 ILE HA 3.000 . 4.200 2.915 2.584 3.332 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
575 1 6 LEU MD2 1 20 ALA H 3.800 . 5.600 4.434 3.318 5.668 0.068 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
576 1 20 ALA H 1 20 ALA MB 2.500 . 3.300 2.251 2.215 2.324 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
577 1 19 ALA MB 1 20 ALA H 3.000 . 4.100 2.584 2.275 2.967 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
578 1 20 ALA H 1 20 ALA HA 2.900 . 4.000 2.847 2.771 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
579 1 19 ALA HA 1 20 ALA H 2.200 . 2.800 2.308 2.175 2.438 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
580 1 6 LEU HA 1 20 ALA H 2.900 . 4.000 2.667 2.278 3.157 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
581 1 18 ARG H 1 18 ARG HG2 3.500 . 5.000 4.471 4.035 4.753 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
582 1 18 ARG H 1 18 ARG HB2 2.600 . 3.500 2.560 2.238 3.193 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
583 1 18 ARG H 1 18 ARG HB3 2.700 . 3.600 2.641 2.418 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
584 1 7 CYS HB3 1 18 ARG H 3.900 . 5.800 3.799 3.113 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
585 1 17 GLY HA2 1 18 ARG H 3.300 . 4.700 3.417 2.654 3.564 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
586 1 17 GLY H 1 18 ARG H 3.000 . 4.100 2.648 2.153 3.428 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
587 1 10 ARG HB2 1 11 GLU H 3.400 . 4.800 4.167 3.783 4.393 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
588 1 11 GLU H 1 11 GLU HB2 3.200 . 4.500 2.836 2.605 3.085 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
589 1 11 GLU H 1 14 GLU HB2 4.300 . 6.000 3.887 3.342 4.788 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
590 1 11 GLU H 1 11 GLU HB3 2.600 . 3.500 2.568 2.388 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
591 1 11 GLU H 1 15 ARG HA 3.500 . 5.000 3.909 3.430 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
592 1 11 GLU H 1 11 GLU HA 2.900 . 4.000 2.931 2.897 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
593 1 11 GLU H 1 14 GLU H 2.900 . 4.000 3.332 2.844 3.798 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
594 1 6 LEU MD2 1 19 ALA H 3.800 . 5.600 4.321 3.323 5.228 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
595 1 19 ALA H 1 19 ALA MB 2.300 . 3.000 2.230 2.217 2.271 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
596 1 18 ARG HB3 1 19 ALA H 3.400 . 4.900 3.822 2.816 4.140 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
597 1 19 ALA H 1 19 ALA HA 2.300 . 3.000 2.801 2.732 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
598 1 67 LYS H 1 67 LYS QG 3.600 . 5.300 3.767 2.858 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
599 1 67 LYS H 1 67 LYS QB 2.800 . 3.800 2.800 2.222 3.231 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
600 1 58 LEU H 1 58 LEU MD2 3.800 . 5.600 4.241 4.156 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
601 1 58 LEU H 1 58 LEU HB2 2.400 . 3.100 2.273 2.146 2.433 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
602 1 58 LEU H 1 58 LEU HG 3.800 . 5.600 4.304 4.156 4.433 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
603 1 58 LEU H 1 58 LEU HB3 2.600 . 3.400 2.715 2.565 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
604 1 56 LYS HB3 1 58 LEU H 5.100 . 6.000 4.729 4.546 4.947 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
605 1 55 HIS HB2 1 58 LEU H 3.000 . 6.000 5.589 5.450 5.809 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
606 1 56 LYS HA 1 58 LEU H 4.200 . 6.000 4.518 4.173 4.759 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
607 1 58 LEU H 1 58 LEU HA 2.700 . 3.600 2.808 2.770 2.860 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
608 1 55 HIS HA 1 58 LEU H 2.900 . 4.000 3.344 3.166 3.512 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
609 1 57 ASN HA 1 58 LEU H 3.900 . 5.800 3.511 3.459 3.542 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
610 1 58 LEU H 1 59 ILE H 2.600 . 3.400 2.709 2.543 2.905 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
611 1 53 ASP QB 1 54 TYR H 2.900 . 3.900 2.744 2.550 2.957 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
612 1 54 TYR H 1 54 TYR HB2 2.600 . 3.400 2.514 2.221 2.692 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
613 1 52 CYS HB3 1 54 TYR H 3.600 . 5.300 4.305 4.118 4.479 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
614 1 54 TYR H 1 54 TYR HB3 2.400 . 3.100 2.497 2.312 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
615 1 54 TYR H 1 54 TYR HA 2.800 . 3.800 2.762 2.732 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
616 1 53 ASP HA 1 54 TYR H 4.100 . 6.000 3.488 3.440 3.517 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
617 1 54 TYR H 1 55 HIS H 2.900 . 3.900 3.001 2.877 3.082 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
618 1 40 ILE MG 1 41 GLU H 2.800 . 3.800 3.040 2.478 3.388 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
619 1 42 LEU H 1 42 LEU HA 3.000 . 4.100 2.876 2.794 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
620 1 40 ILE HA 1 41 GLU H 2.200 . 2.800 2.154 2.128 2.226 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
621 1 10 ARG H 1 41 GLU H 2.900 . 3.900 3.080 2.411 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
622 1 51 ILE MD 1 56 LYS H 3.300 . 4.700 3.159 2.931 3.430 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
623 1 56 LYS H 1 56 LYS HG2 5.500 . 6.000 4.453 4.416 4.495 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
624 1 56 LYS H 1 56 LYS HB2 2.400 . 3.100 2.500 2.372 2.612 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
625 1 56 LYS H 1 56 LYS HB3 2.400 . 3.100 2.598 2.483 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
626 1 55 HIS HB2 1 56 LYS H 3.300 . 4.700 2.931 2.793 3.120 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
627 1 56 LYS H 1 56 LYS HA 2.700 . 3.600 2.795 2.758 2.837 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
628 1 55 HIS HA 1 56 LYS H 4.300 . 6.000 3.525 3.475 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
629 1 53 ASP HA 1 56 LYS H 3.200 . 4.500 3.464 3.328 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
630 1 56 LYS H 1 57 ASN H 2.800 . 3.800 2.811 2.706 2.904 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
631 1 7 CYS H 1 7 CYS HB2 2.500 . 3.300 2.474 2.292 2.723 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
632 1 7 CYS H 1 7 CYS HB3 2.700 . 3.600 2.541 2.329 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
633 1 42 LEU H 1 42 LEU HB3 2.500 . 3.300 2.392 2.262 2.526 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
634 1 6 LEU HB3 1 7 CYS H 2.900 . 4.000 2.630 2.078 3.041 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
635 1 7 CYS H 1 20 ALA HA 4.600 . 6.000 4.059 3.556 4.716 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
636 1 7 CYS H 1 7 CYS HA 2.900 . 4.000 2.757 2.688 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
637 1 40 ILE H 1 40 ILE MG 4.000 . 6.000 3.882 3.814 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
638 1 40 ILE H 1 40 ILE MD 4.200 . 6.000 4.211 3.888 4.430 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
639 1 38 VAL MG2 1 40 ILE H 2.700 . 3.600 2.531 1.952 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
640 1 33 ILE MG 1 40 ILE H 3.600 . 5.200 3.363 3.013 3.810 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
641 1 40 ILE H 1 40 ILE HB 2.500 . 3.300 2.543 2.343 2.659 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
642 1 39 LYS QB 1 40 ILE H 3.600 . 5.200 3.891 3.850 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
643 1 38 VAL HB 1 40 ILE H 3.900 . 5.800 3.963 3.357 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
644 1 39 LYS HA 1 40 ILE H 2.300 . 3.000 2.559 2.375 2.804 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
645 1 40 ILE H 1 40 ILE HA 2.900 . 4.000 2.936 2.917 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
646 1 62 VAL QG 1 63 ARG H 3.100 . 4.300 3.220 1.918 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
647 1 63 ARG H 1 63 ARG QG 2.600 . 3.400 2.557 2.139 3.575 0.175 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
648 1 63 ARG H 1 63 ARG HB2 2.300 . 3.000 2.683 2.134 3.246 0.246 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
649 1 62 VAL HB 1 63 ARG H 3.200 . 4.500 2.997 2.365 4.434 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
650 1 63 ARG H 1 63 ARG QD 4.600 . 6.000 4.303 3.159 4.869 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
651 1 62 VAL HA 1 63 ARG H 2.700 . 3.600 3.359 2.152 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
652 1 63 ARG H 1 63 ARG HA 2.700 . 3.600 2.857 2.255 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
653 1 9 LEU H 1 9 LEU MD2 3.800 . 5.600 3.648 3.430 3.840 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
654 1 9 LEU H 1 9 LEU MD1 4.000 . 6.000 3.993 3.756 4.114 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
655 1 9 LEU H 1 9 LEU HB2 2.900 . 3.900 2.611 2.383 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
656 1 9 LEU H 1 51 ILE MG 3.700 . 5.400 4.302 3.784 4.583 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
657 1 9 LEU H 1 9 LEU HB3 2.800 . 3.800 3.742 3.612 3.836 0.036 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
658 1 9 LEU H 1 9 LEU HG 2.200 . 2.800 2.855 2.571 2.952 0.152 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
659 1 8 CYS HB3 1 9 LEU H 4.000 . 6.000 4.498 4.257 4.657 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
660 1 9 LEU H 1 16 CYS HB3 3.500 . 5.000 4.178 3.074 5.001 0.001 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
661 1 7 CYS HB3 1 9 LEU H 3.800 . 5.600 3.515 3.279 3.753 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
662 1 7 CYS HA 1 9 LEU H 4.400 . 6.000 4.048 3.796 4.357 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
663 1 8 CYS HA 1 9 LEU H 3.500 . 5.000 2.953 2.813 3.329 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
664 1 65 ARG H 1 65 ARG QG 3.500 . 5.000 3.567 2.547 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
665 1 65 ARG H 1 65 ARG HB2 2.600 . 3.500 2.551 2.110 3.463 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
666 1 64 ASN HB2 1 65 ARG H 4.300 . 6.000 4.369 3.457 4.673 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
667 1 53 ASP H 1 53 ASP QB 2.400 . 3.100 2.301 2.041 2.692 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
668 1 52 CYS HB2 1 53 ASP H 2.700 . 3.600 2.408 2.160 2.802 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
669 1 52 CYS HB3 1 53 ASP H 3.200 . 4.500 3.697 3.559 3.948 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
670 1 53 ASP H 1 53 ASP HA 2.900 . 3.900 2.821 2.757 2.859 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
671 1 52 CYS HA 1 53 ASP H 2.400 . 3.100 2.426 2.271 2.547 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
672 1 21 GLY H 1 53 ASP H 3.600 . 5.300 4.150 3.766 4.501 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
673 1 53 ASP H 1 54 TYR H 2.900 . 3.900 2.571 2.439 2.776 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
674 1 29 ILE H 1 29 ILE MD 3.300 . 4.700 3.315 3.197 3.391 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
675 1 29 ILE H 1 29 ILE HG12 3.400 . 4.800 3.303 3.011 3.492 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
676 1 29 ILE H 1 29 ILE HG13 2.500 . 3.300 2.187 1.964 2.394 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
677 1 29 ILE H 1 29 ILE HA 3.000 . 4.100 2.826 2.755 2.852 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
678 1 28 ARG HA 1 29 ILE H 3.300 . 4.600 3.543 3.509 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
679 1 26 SER HB3 1 29 ILE H 4.300 . 6.000 4.610 3.118 4.922 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
680 1 27 LYS H 1 27 LYS QB 3.400 . 4.800 2.656 2.201 3.003 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
681 1 26 SER HA 1 27 LYS H 3.700 . 5.400 2.725 2.602 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
682 1 62 VAL H 1 62 VAL MG2 2.600 . 3.400 2.760 2.296 3.307 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
683 1 62 VAL H 1 62 VAL HB 2.600 . 3.500 2.631 2.425 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
684 1 59 ILE HA 1 62 VAL H 4.200 . 6.000 4.645 3.953 5.752 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
685 1 62 VAL H 1 62 VAL HA 2.600 . 3.500 2.931 2.872 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
686 1 60 GLN HA 1 62 VAL H 3.800 . 5.600 3.909 3.632 4.719 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
687 1 61 SER HA 1 62 VAL H 2.700 . 3.600 2.966 2.351 3.441 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
688 1 35 GLN H 1 35 GLN HB2 2.700 . 3.600 2.263 2.071 2.604 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
689 1 35 GLN H 1 35 GLN HB3 3.000 . 4.100 2.919 2.541 3.411 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
690 1 35 GLN H 1 35 GLN HG2 3.600 . 5.200 4.473 3.140 4.676 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
691 1 35 GLN H 1 35 GLN HG3 3.700 . 5.400 4.495 3.888 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
692 1 34 SER QB 1 35 GLN H 3.100 . 4.300 2.604 2.268 2.861 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
693 1 35 GLN H 1 35 GLN HA 2.900 . 3.900 2.839 2.754 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
694 1 34 SER HA 1 35 GLN H 3.000 . 4.100 3.544 3.497 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
695 1 10 ARG HB2 1 13 GLY H 3.800 . 5.600 3.843 3.292 4.466 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
696 1 10 ARG HB3 1 13 GLY H 3.800 . 5.600 3.350 2.883 3.805 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
697 1 12 ASP HB3 1 13 GLY H 3.800 . 5.600 4.350 4.106 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
698 1 13 GLY H 1 13 GLY HA2 2.300 . 3.000 2.339 2.293 2.437 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
699 1 12 ASP HA 1 13 GLY H 2.600 . 3.400 2.834 2.638 3.089 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
700 1 11 GLU HA 1 13 GLY H 3.900 . 5.800 3.881 3.509 4.313 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
701 1 10 ARG HB2 1 14 GLU H 3.700 . 5.400 5.039 4.333 5.440 0.040 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
702 1 14 GLU H 1 14 GLU HB2 2.500 . 3.300 2.331 2.115 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
703 1 14 GLU H 1 14 GLU HB3 3.100 . 4.300 3.483 2.850 3.777 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
704 1 14 GLU H 1 14 GLU HG3 3.900 . 5.800 4.326 3.819 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
705 1 13 GLY HA2 1 14 GLU H 3.600 . 5.200 3.357 3.190 3.504 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
706 1 13 GLY HA3 1 14 GLU H 3.300 . 4.700 3.224 2.970 3.391 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
707 1 14 GLU H 1 14 GLU HA 2.900 . 4.000 2.916 2.874 2.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
708 1 13 GLY H 1 14 GLU H 2.800 . 3.800 2.657 2.373 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
709 1 10 ARG HA 1 14 GLU H 4.100 . 6.000 4.410 3.890 4.974 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
710 1 29 ILE MG 1 30 GLN H 2.900 . 4.000 3.495 3.249 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
711 1 30 GLN H 1 30 GLN HB3 2.400 . 3.100 2.526 2.311 2.752 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
712 1 30 GLN H 1 30 GLN HA 2.700 . 3.600 2.810 2.775 2.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
713 1 27 LYS HA 1 30 GLN H 3.100 . 4.300 3.244 3.054 3.438 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
714 1 29 ILE H 1 30 GLN H 2.600 . 3.500 2.595 2.493 2.787 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
715 1 49 LEU H 1 49 LEU QD 3.500 . 5.000 3.495 3.338 3.678 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
716 1 49 LEU H 1 49 LEU HB2 2.500 . 3.300 2.607 2.458 2.778 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
717 1 49 LEU H 1 49 LEU HG 2.900 . 3.900 3.091 2.785 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
718 1 49 LEU H 1 49 LEU HB3 3.400 . 4.800 3.749 3.656 3.841 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
719 1 48 HIS HB3 1 49 LEU H 3.000 . 4.100 3.680 3.381 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
720 1 48 HIS HA 1 49 LEU H 2.600 . 3.400 2.486 2.248 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
721 1 33 ILE H 1 33 ILE MG 3.500 . 5.000 3.763 3.705 3.777 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
722 1 33 ILE H 1 33 ILE HG12 3.300 . 4.700 3.551 3.246 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
723 1 33 ILE H 1 33 ILE HB 2.300 . 3.000 2.488 2.305 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
724 1 31 LYS HA 1 33 ILE H 3.400 . 4.800 4.429 4.002 4.788 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
725 1 5 GLN H 1 20 ALA MB 3.000 . 6.000 3.363 2.605 4.270 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
726 1 5 GLN H 1 5 GLN QB 2.200 . 2.800 2.549 2.274 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
727 1 5 GLN H 1 5 GLN QG 2.200 . 2.800 2.311 1.911 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
728 1 4 GLY HA2 1 5 GLN H 2.300 . 3.000 2.636 2.283 3.409 0.409 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
729 1 3 ALA HA 1 5 GLN H 3.500 . 5.100 4.108 3.131 5.136 0.036 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
730 1 30 GLN HB3 1 31 LYS H 2.200 . 2.800 2.414 2.202 2.784 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
731 1 31 LYS H 1 31 LYS HA 2.600 . 3.500 2.801 2.750 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
732 1 28 ARG H 1 28 ARG HB2 2.200 . 2.800 2.692 2.522 2.883 0.083 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
733 1 63 ARG HB2 1 64 ASN H 3.700 . 5.400 3.891 2.724 4.461 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
734 1 64 ASN H 1 64 ASN HB2 3.200 . 4.500 3.257 2.569 3.831 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
735 1 63 ARG HA 1 64 ASN H 3.100 . 4.300 2.958 2.305 3.511 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
736 1 26 SER H 1 29 ILE MD 2.900 . 3.900 2.370 2.041 2.683 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
737 1 26 SER H 1 29 ILE HG12 4.200 . 6.000 4.535 4.191 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
738 1 26 SER H 1 29 ILE HG13 3.600 . 5.200 3.165 2.583 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
739 1 26 SER H 1 29 ILE HB 2.500 . 3.300 2.661 2.328 3.318 0.018 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
740 1 26 SER H 1 26 SER HB2 3.000 . 4.100 3.711 2.771 3.970 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
741 1 26 SER H 1 26 SER HB3 3.500 . 5.000 3.093 2.691 3.895 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
742 1 25 PHE HA 1 26 SER H 2.400 . 3.100 2.180 2.132 2.268 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
743 1 26 SER H 1 26 SER HA 3.000 . 4.100 2.935 2.893 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
744 1 59 ILE H 1 59 ILE HG12 3.000 . 4.100 3.255 3.143 3.342 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
745 1 58 LEU HB2 1 59 ILE H 3.900 . 5.800 3.705 3.539 3.872 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
746 1 58 LEU HG 1 59 ILE H 3.900 . 5.800 4.895 4.630 5.109 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
747 1 58 LEU HB3 1 59 ILE H 2.500 . 3.300 2.597 2.271 2.850 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
748 1 59 ILE H 1 59 ILE HB 2.100 . 2.700 2.099 2.004 2.192 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
749 1 59 ILE H 1 59 ILE HA 2.900 . 4.000 2.890 2.844 2.921 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
750 1 56 LYS HA 1 59 ILE H 3.900 . 5.800 3.840 3.619 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
751 1 58 LEU HA 1 59 ILE H 3.600 . 5.300 3.538 3.495 3.565 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
752 1 55 HIS HA 1 59 ILE H 3.700 . 5.400 3.772 3.477 3.958 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
753 1 59 ILE H 1 60 GLN H 2.400 . 3.100 2.494 2.306 2.660 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
754 1 36 LYS H 1 36 LYS HG2 3.000 . 4.100 3.546 2.747 4.011 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
755 1 36 LYS H 1 36 LYS HG3 2.800 . 3.800 2.477 1.948 3.798 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
756 1 36 LYS H 1 36 LYS HB2 2.400 . 3.100 2.450 2.208 2.666 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
757 1 36 LYS H 1 36 LYS HB3 3.400 . 4.800 3.597 3.506 3.680 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
758 1 35 GLN HB2 1 36 LYS H 3.600 . 5.200 3.623 3.193 4.151 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
759 1 35 GLN HB3 1 36 LYS H 3.100 . 4.300 2.867 2.413 3.607 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
760 1 33 ILE HA 1 36 LYS H 3.900 . 5.800 3.394 3.176 3.651 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
761 1 22 ASN H 1 23 ALA MB 4.000 . 6.000 3.804 3.576 4.231 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
762 1 22 ASN H 1 22 ASN HB2 2.700 . 3.600 2.708 2.177 3.644 0.044 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
763 1 21 GLY HA2 1 22 ASN H 2.800 . 3.800 3.112 2.730 3.380 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
764 1 21 GLY HA3 1 22 ASN H 2.600 . 3.500 2.157 2.112 2.354 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
765 1 59 ILE HG12 1 60 GLN H 3.200 . 4.500 3.367 3.119 3.565 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
766 1 59 ILE HB 1 60 GLN H 2.500 . 3.300 2.606 2.308 2.791 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
767 1 60 GLN H 1 60 GLN QB 2.300 . 3.000 2.213 2.095 2.397 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
768 1 60 GLN H 1 60 GLN HG2 3.200 . 4.500 3.452 2.503 4.180 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
769 1 60 GLN H 1 60 GLN HG3 3.200 . 4.400 3.085 2.334 4.049 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
770 1 59 ILE HA 1 60 GLN H 3.700 . 5.500 3.549 3.517 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
771 1 56 LYS HA 1 60 GLN H 4.400 . 6.000 3.866 3.640 4.071 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
772 1 60 GLN H 1 60 GLN HA 2.800 . 3.800 2.816 2.745 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
773 1 57 ASN HA 1 60 GLN H 3.400 . 4.900 3.734 3.479 4.002 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
774 1 9 LEU MD2 1 10 ARG H 4.000 . 6.000 3.500 3.083 3.776 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
775 1 10 ARG H 1 40 ILE MG 3.400 . 4.900 3.216 2.712 3.677 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
776 1 9 LEU HB2 1 10 ARG H 3.200 . 4.400 3.690 3.405 3.972 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
777 1 10 ARG H 1 10 ARG HG2 4.800 . 6.000 3.733 3.363 4.195 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
778 1 10 ARG H 1 10 ARG HB2 3.100 . 4.300 2.747 2.563 2.963 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
779 1 10 ARG H 1 10 ARG HB3 3.300 . 4.700 3.801 3.713 3.876 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
780 1 9 LEU HB3 1 10 ARG H 3.200 . 4.500 2.592 2.250 2.997 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
781 1 9 LEU HA 1 10 ARG H 2.400 . 3.100 2.354 2.211 2.490 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
782 1 37 LYS H 1 38 VAL QG 3.800 . 5.600 3.279 3.170 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
783 1 37 LYS H 1 37 LYS QG 3.200 . 4.500 3.410 2.621 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
784 1 37 LYS H 1 37 LYS HA 2.400 . 3.100 2.268 2.252 2.279 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
785 1 37 LYS H 1 38 VAL H 3.000 . 4.100 2.989 2.688 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
786 1 33 ILE MD 1 34 SER H 3.400 . 4.800 4.477 4.259 4.751 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
787 1 33 ILE MG 1 34 SER H 3.400 . 4.800 3.330 2.830 3.653 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
788 1 33 ILE HG13 1 34 SER H 4.000 . 6.000 4.271 4.104 4.428 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
789 1 33 ILE HB 1 34 SER H 2.700 . 3.600 2.574 2.267 2.910 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
790 1 34 SER H 1 34 SER QB 2.400 . 3.100 2.279 2.048 2.560 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
791 1 34 SER H 1 34 SER HA 2.800 . 3.800 2.785 2.745 2.856 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
792 1 56 LYS HG2 1 57 ASN H 3.800 . 5.600 3.661 3.303 3.990 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
793 1 56 LYS HG3 1 57 ASN H 4.500 . 6.000 4.724 4.484 4.932 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
794 1 56 LYS HB2 1 57 ASN H 3.500 . 5.000 3.701 3.624 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
795 1 56 LYS HB3 1 57 ASN H 2.400 . 3.100 2.324 2.271 2.492 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
796 1 57 ASN H 1 57 ASN HB2 2.600 . 3.400 2.502 2.151 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
797 1 57 ASN H 1 57 ASN HB3 2.400 . 3.100 2.543 2.244 2.940 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
798 1 56 LYS HA 1 57 ASN H 3.800 . 5.600 3.551 3.530 3.561 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
799 1 57 ASN H 1 57 ASN HA 2.800 . 3.800 2.833 2.813 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
800 1 53 ASP HA 1 57 ASN H 3.700 . 5.400 3.841 3.629 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
801 1 57 ASN H 1 58 LEU H 2.600 . 3.400 2.579 2.445 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
802 1 31 LYS HB3 1 32 SER H 2.600 . 3.500 2.844 2.380 3.326 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
803 1 29 ILE HA 1 32 SER H 3.300 . 4.600 3.325 3.119 3.499 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
804 1 32 SER H 1 32 SER QB 2.400 . 3.100 2.274 2.077 2.554 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
805 1 31 LYS HA 1 32 SER H 3.200 . 4.500 3.544 3.502 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
806 1 32 SER H 1 32 SER HA 2.800 . 3.800 2.788 2.745 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
807 1 38 VAL H 1 38 VAL MG2 2.400 . 3.100 2.107 1.907 2.323 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
808 1 37 LYS QG 1 38 VAL H 3.800 . 5.600 4.384 3.698 4.712 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
809 1 37 LYS QB 1 38 VAL H 3.200 . 4.500 3.908 3.751 4.010 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
810 1 38 VAL H 1 38 VAL HB 3.100 . 4.300 3.786 3.680 3.900 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
811 1 37 LYS HA 1 38 VAL H 2.600 . 3.500 2.371 2.207 2.565 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
812 1 38 VAL H 1 38 VAL HA 2.900 . 3.900 2.941 2.916 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
813 1 61 SER H 1 62 VAL MG2 4.100 . 6.000 3.675 3.315 4.056 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
814 1 60 GLN QB 1 61 SER H 3.100 . 4.300 2.777 2.532 3.059 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
815 1 59 ILE HA 1 61 SER H 4.500 . 6.000 4.421 3.987 4.710 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
816 1 61 SER H 1 61 SER HB3 2.500 . 3.300 3.122 2.459 3.600 0.300 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
817 1 60 GLN HA 1 61 SER H 3.100 . 4.300 3.537 3.449 3.565 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
818 1 61 SER H 1 61 SER HA 2.700 . 3.600 2.890 2.830 2.936 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
819 1 61 SER H 1 62 VAL H 3.000 . 4.200 3.113 2.657 3.817 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
820 1 44 LYS HB2 1 45 SER H 3.400 . 4.900 3.290 2.626 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
821 1 44 LYS HB3 1 45 SER H 4.200 . 6.000 4.139 3.644 4.469 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
822 1 43 ASP HB3 1 45 SER H 4.300 . 6.000 3.748 2.837 4.754 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
823 1 45 SER H 1 45 SER QB 2.600 . 3.500 2.417 2.056 2.823 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
824 1 45 SER H 1 45 SER HA 3.000 . 4.100 2.859 2.774 2.932 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
825 1 43 ASP HA 1 45 SER H 4.100 . 6.000 3.776 3.443 4.188 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
826 1 45 SER H 1 46 ALA H 2.700 . 3.600 2.590 2.183 2.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
827 1 51 ILE H 1 51 ILE MD 3.900 . 5.800 3.666 3.542 3.798 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
828 1 51 ILE H 1 51 ILE HG12 2.200 . 2.800 2.007 1.909 2.140 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
829 1 20 ALA MB 1 51 ILE H 4.100 . 6.000 4.321 3.877 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
830 1 51 ILE H 1 51 ILE HG13 3.200 . 4.500 3.029 2.853 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
831 1 50 TYR HB2 1 51 ILE H 4.200 . 6.000 4.370 4.141 4.538 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
832 1 50 TYR HB3 1 51 ILE H 3.200 . 4.500 3.560 3.136 4.088 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
833 1 50 TYR HA 1 51 ILE H 2.300 . 3.000 2.152 2.113 2.281 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
834 1 24 SER HA 1 51 ILE H 3.500 . 5.000 2.955 2.454 3.550 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
835 1 20 ALA MB 1 21 GLY H 2.900 . 4.000 2.569 2.271 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
836 1 21 GLY H 1 23 ALA MB 4.200 . 6.000 4.771 4.123 5.454 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
837 1 21 GLY H 1 52 CYS HB2 4.300 . 6.000 4.817 4.599 5.252 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
838 1 20 ALA HA 1 21 GLY H 2.300 . 3.000 2.343 2.215 2.479 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
839 1 21 GLY H 1 21 GLY HA2 2.800 . 3.800 2.948 2.925 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
840 1 21 GLY H 1 21 GLY HA3 3.000 . 4.100 2.449 2.366 2.550 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
841 1 21 GLY H 1 52 CYS HA 2.700 . 3.600 2.366 2.154 2.810 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
842 1 16 CYS H 1 16 CYS HB2 3.600 . 5.200 2.716 2.216 2.909 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
843 1 16 CYS H 1 16 CYS HB3 3.500 . 5.100 3.337 2.524 3.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
844 1 15 ARG HA 1 16 CYS H 2.900 . 4.000 2.476 2.134 2.646 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
845 1 24 SER H 1 29 ILE MD 3.900 . 5.800 4.009 3.526 4.465 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
846 1 23 ALA MB 1 24 SER H 2.700 . 3.600 2.332 1.877 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
847 1 24 SER H 1 24 SER QB 2.800 . 3.800 2.899 2.611 3.194 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
848 1 23 ALA HA 1 24 SER H 2.300 . 3.000 2.413 2.167 2.814 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
849 1 69 LYS HA 1 70 GLY H 3.500 . 5.000 3.393 2.527 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
850 1 11 GLU HB2 1 12 ASP H 4.400 . 6.000 4.434 4.221 4.577 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
851 1 12 ASP H 1 39 LYS QB 2.800 . 3.800 2.529 2.112 2.892 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
852 1 11 GLU HB3 1 12 ASP H 3.100 . 4.300 3.099 2.705 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
853 1 12 ASP H 1 12 ASP HB2 4.000 . 6.000 3.350 3.030 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
854 1 12 ASP H 1 12 ASP HB3 4.500 . 6.000 4.060 3.725 4.124 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
855 1 12 ASP H 1 12 ASP HA 2.400 . 3.100 2.271 2.265 2.280 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
856 1 11 GLU HA 1 12 ASP H 2.300 . 3.000 2.155 2.125 2.239 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
857 1 12 ASP H 1 13 GLY H 2.900 . 3.900 2.671 2.487 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
858 1 44 LYS H 1 44 LYS HG2 3.100 . 4.300 2.843 2.038 4.175 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
859 1 44 LYS H 1 44 LYS HG3 3.100 . 4.300 3.011 2.175 3.873 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
860 1 44 LYS H 1 44 LYS HB2 2.700 . 3.600 2.510 2.274 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
861 1 44 LYS H 1 44 LYS HB3 3.000 . 4.200 3.630 3.544 3.729 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
862 1 43 ASP HA 1 44 LYS H 2.400 . 3.100 2.229 2.147 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
863 1 7 CYS HB2 1 18 ARG H 4.200 . 6.000 4.203 3.620 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
864 1 16 CYS HA 1 17 GLY H 3.300 . 4.700 3.528 2.161 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
865 1 13 GLY H 1 13 GLY HA3 3.000 . 4.100 2.898 2.820 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
866 1 34 SER HA 1 37 LYS H 3.600 . 5.200 3.413 2.909 3.715 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
867 1 34 SER QB 1 37 LYS H 3.900 . 5.800 4.873 4.573 5.248 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
868 1 36 LYS H 1 37 LYS H 2.800 . 3.800 2.463 2.120 2.694 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
869 1 35 GLN H 1 36 LYS H 2.900 . 4.000 2.549 2.320 2.747 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
870 1 36 LYS H 1 37 LYS HA 5.000 . 6.000 4.693 4.357 4.933 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
871 1 33 ILE MG 1 36 LYS H 4.600 . 6.000 4.479 3.975 4.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
872 1 38 VAL H 1 39 LYS H 4.500 . 6.000 4.449 4.385 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
873 1 33 ILE HA 1 38 VAL H 4.400 . 6.000 4.549 4.041 5.022 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
874 1 33 ILE MG 1 38 VAL H 3.500 . 5.000 2.868 2.571 3.433 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
875 1 36 LYS HB2 1 38 VAL H 3.500 . 5.100 3.802 3.184 4.418 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
876 1 44 LYS H 1 45 SER H 2.500 . 3.300 2.413 2.075 2.704 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
877 1 39 LYS HG2 1 40 ILE H 3.600 . 5.300 4.807 4.689 5.006 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
878 1 23 ALA H 1 51 ILE MD 4.100 . 6.000 4.958 4.611 5.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
879 1 23 ALA H 1 51 ILE HG12 3.800 . 5.600 4.517 4.079 5.090 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
880 1 10 ARG HB3 1 11 GLU H 3.500 . 5.000 3.436 2.818 3.801 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
881 1 10 ARG HG2 1 11 GLU H 4.300 . 6.000 4.635 4.288 4.991 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
882 1 18 ARG HG2 1 19 ALA H 2.900 . 4.000 2.538 1.928 3.968 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
883 1 59 ILE HG12 1 61 SER H 4.400 . 6.000 4.858 4.544 5.106 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
884 1 59 ILE HG13 1 61 SER H 4.300 . 6.000 6.066 5.779 6.229 0.229 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
885 1 59 ILE H 1 61 SER H 4.800 . 6.000 4.076 3.829 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
886 1 62 VAL HA 1 64 ASN H 4.200 . 6.000 4.073 3.338 4.851 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
887 1 64 ASN H 1 64 ASN HB3 3.600 . 5.200 3.266 2.648 4.005 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
888 1 64 ASN HB3 1 65 ARG H 4.700 . 6.000 4.297 3.722 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
889 1 21 GLY H 1 50 TYR HB3 4.100 . 6.000 3.772 3.288 4.198 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
890 1 21 GLY H 1 52 CYS HB3 4.100 . 6.000 4.376 4.125 4.759 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
891 1 22 ASN H 1 22 ASN HB3 2.900 . 3.900 2.987 2.326 3.761 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
892 1 8 CYS H 1 46 ALA MB 4.600 . 6.000 5.390 5.064 5.962 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
893 1 8 CYS H 1 51 ILE HB 4.800 . 6.000 4.634 4.205 5.171 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
894 1 7 CYS HB3 1 8 CYS H 4.600 . 6.000 3.939 3.645 4.314 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
895 1 7 CYS HB2 1 8 CYS H 4.900 . 6.000 4.023 3.811 4.168 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
896 1 10 ARG H 1 42 LEU HA 4.500 . 6.000 4.382 3.993 4.879 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
897 1 20 ALA MB 1 48 HIS HE1 3.000 . 4.100 3.324 2.528 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
898 1 5 GLN QB 1 48 HIS HE1 3.600 . 5.200 3.427 2.485 4.216 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
899 1 5 GLN QG 1 48 HIS HE1 4.400 . 6.000 4.875 4.151 6.018 0.018 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
900 1 8 CYS HB2 1 48 HIS HE1 3.800 . 5.600 4.440 3.027 5.639 0.039 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
901 1 48 HIS HE1 1 50 TYR HB2 3.000 . 4.100 3.295 2.409 4.131 0.031 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
902 1 7 CYS HA 1 48 HIS HE1 3.500 . 5.000 4.096 3.262 4.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
903 1 11 GLU HB2 1 55 HIS HE1 3.500 . 5.000 3.567 3.015 4.158 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
904 1 11 GLU HB3 1 55 HIS HE1 4.100 . 6.000 4.433 3.940 4.993 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
905 1 16 CYS HB2 1 55 HIS HE1 2.500 . 3.300 2.520 2.017 3.136 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
906 1 16 CYS HB3 1 55 HIS HE1 3.400 . 4.900 4.014 3.334 4.447 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
907 1 16 CYS HA 1 55 HIS HE1 4.300 . 6.000 3.645 3.254 4.147 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
908 1 54 TYR QD 1 58 LEU MD1 3.700 . 5.400 3.561 3.078 4.030 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
909 1 54 TYR HB2 1 54 TYR QD 2.500 . 3.300 2.503 2.355 2.655 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
910 1 54 TYR HB3 1 54 TYR QD 2.400 . 3.100 2.324 2.273 2.443 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
911 1 54 TYR HA 1 54 TYR QD 2.800 . 3.800 2.733 2.432 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
912 1 9 LEU MD2 1 25 PHE QD 3.000 . 4.100 2.907 2.623 3.307 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
913 1 9 LEU MD1 1 25 PHE QD 3.800 . 5.600 3.455 2.855 3.903 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
914 1 25 PHE QD 1 49 LEU HB3 4.100 . 6.000 4.384 3.911 4.868 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
915 1 25 PHE HB3 1 25 PHE QD 2.700 . 3.600 2.290 2.241 2.351 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
916 1 9 LEU MD2 1 25 PHE QE 3.500 . 5.000 3.242 2.754 3.507 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
917 1 25 PHE QE 1 42 LEU MD2 3.100 . 4.300 3.275 2.517 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
918 1 25 PHE QE 1 33 ILE MD 2.400 . 3.100 2.510 2.183 2.832 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
919 1 25 PHE QE 1 30 GLN HB2 3.200 . 4.500 3.694 3.378 4.153 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
920 1 25 PHE QE 1 30 GLN HB3 3.600 . 5.200 3.922 3.497 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
921 1 25 PHE HB2 1 25 PHE QE 4.400 . 6.000 4.429 4.405 4.450 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
922 1 25 PHE HB3 1 25 PHE QE 4.300 . 6.000 4.369 4.350 4.389 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
923 1 25 PHE QE 1 30 GLN HA 4.100 . 6.000 3.719 3.416 4.258 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
924 1 25 PHE HA 1 25 PHE QE 3.900 . 5.800 4.591 4.444 4.764 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
925 1 25 PHE HZ 1 42 LEU MD1 3.600 . 5.200 4.530 3.909 5.190 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
926 1 25 PHE HZ 1 42 LEU HG 3.800 . 6.000 6.224 6.056 7.243 1.243 38 1 "[ . 1 . 2 . 3 . + 4 . ]" 1
927 1 25 PHE HZ 1 30 GLN HB2 3.500 . 5.100 3.208 2.817 3.885 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
928 1 25 PHE HZ 1 30 GLN HB3 3.600 . 5.300 3.366 2.951 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
929 1 25 PHE HZ 1 30 GLN HA 3.700 . 5.400 3.718 3.323 4.160 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
930 1 9 LEU MD1 1 55 HIS HD2 4.100 . 6.000 4.086 3.496 4.418 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
931 1 40 ILE MD 1 55 HIS HD2 2.800 . 3.800 2.871 2.350 3.351 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
932 1 55 HIS HD2 1 58 LEU MD1 2.400 . 3.100 2.575 2.233 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
933 1 55 HIS HD2 1 58 LEU HB2 4.100 . 6.000 4.163 3.874 4.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
934 1 55 HIS HB2 1 55 HIS HD2 3.600 . 5.300 3.943 3.907 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
935 1 55 HIS HB3 1 55 HIS HD2 3.500 . 5.000 3.200 3.058 3.342 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
936 1 55 HIS HA 1 55 HIS HD2 2.600 . 3.400 2.372 2.170 2.602 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
937 1 46 ALA MB 1 48 HIS HD2 3.600 . 5.200 4.758 3.277 5.430 0.230 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
938 1 5 GLN QB 1 48 HIS HD2 3.600 . 5.200 3.931 3.360 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
939 1 5 GLN QG 1 48 HIS HD2 3.400 . 4.800 3.917 2.977 4.782 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
940 1 48 HIS HB3 1 48 HIS HD2 3.000 . 4.100 2.729 2.687 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
941 1 50 TYR HB2 1 50 TYR QE 4.200 . 6.000 4.406 4.378 4.449 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
942 1 24 SER QB 1 50 TYR QE 3.800 . 5.600 4.285 3.413 5.115 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
943 1 54 TYR QE 1 58 LEU MD1 2.800 . 3.700 2.699 2.363 2.986 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
944 1 54 TYR QE 1 55 HIS HD2 2.900 . 4.000 3.545 2.958 4.086 0.086 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
945 1 54 TYR QD 1 55 HIS HD2 3.200 . 4.500 3.489 2.789 4.345 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
946 1 40 ILE HB 1 59 ILE MD 3.800 . 5.600 4.045 3.490 4.387 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
947 1 33 ILE MD 1 36 LYS HB2 3.700 . 5.400 4.701 4.379 5.057 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
948 1 33 ILE HB 1 59 ILE MD 4.300 . 6.000 4.351 4.151 4.547 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
949 1 55 HIS HB3 1 59 ILE MD 3.100 . 4.300 2.536 2.254 2.879 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
950 1 49 LEU HB2 1 49 LEU MD1 2.300 . 3.000 2.035 1.960 2.113 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
951 1 40 ILE MD 1 40 ILE HG12 1.700 . 2.200 1.887 1.885 1.888 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
952 1 51 ILE MD 1 55 HIS HB3 2.600 . 3.400 2.392 2.113 2.604 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
953 1 51 ILE HB 1 51 ILE MD 2.500 . 3.300 2.411 2.369 2.452 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
954 1 24 SER QB 1 49 LEU HB2 3.800 . 5.600 3.662 3.246 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
955 1 40 ILE HA 1 40 ILE MD 3.700 . 5.400 3.718 3.654 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
956 1 10 ARG HG3 1 43 ASP HB2 3.000 . 4.100 2.798 2.265 3.259 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
957 1 51 ILE HB 1 55 HIS HB3 3.600 . 5.200 3.740 3.513 4.000 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
958 1 29 ILE MD 1 56 LYS HB2 3.900 . 5.800 3.778 3.404 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
959 1 40 ILE HB 1 40 ILE MD 1.900 . 2.400 1.829 1.815 1.840 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
960 1 40 ILE MD 1 59 ILE HG13 3.100 . 4.300 3.600 3.335 3.783 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
961 1 28 ARG QD 1 29 ILE MD 2.900 . 3.900 3.771 3.319 4.048 0.148 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
962 1 28 ARG HB2 1 28 ARG HD2 2.300 . 2.900 1.981 1.911 2.083 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
963 1 28 ARG HB3 1 28 ARG QD 2.400 . 3.100 1.896 1.709 2.125 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
964 1 47 ARG HA 1 47 ARG QD 3.300 . 4.700 2.907 1.972 3.409 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
965 1 63 ARG HB3 1 63 ARG QD 2.600 . 3.500 2.318 1.874 2.782 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
966 1 28 ARG HB3 1 28 ARG QD 2.300 . 3.000 1.941 1.731 2.243 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
967 1 62 VAL HA 1 63 ARG QD 4.300 . 6.000 5.019 3.465 6.110 0.110 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
968 1 39 LYS QB 1 39 LYS QE 3.500 . 5.100 3.009 2.151 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
969 1 31 LYS QE 1 31 LYS HG2 3.000 . 4.100 2.443 2.214 2.964 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
970 1 23 ALA MB 1 56 LYS HE2 3.000 . 4.100 2.694 2.108 3.327 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
971 1 38 VAL MG2 1 40 ILE HB 2.600 . 3.400 2.266 2.095 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
972 1 6 LEU HB2 1 6 LEU MD2 2.200 . 2.800 2.075 1.951 2.286 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
973 1 12 ASP HB2 1 14 GLU HB2 4.000 . 6.000 3.603 2.992 3.823 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
974 1 5 GLN HA 1 50 TYR HB2 4.400 . 6.000 3.616 2.874 4.480 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
975 1 48 HIS HD1 1 50 TYR HB3 4.800 . 6.000 3.165 2.963 3.509 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
976 1 25 PHE HB2 1 42 LEU QD 3.600 . 5.200 3.275 2.910 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
977 1 40 ILE MD 1 59 ILE HB 4.100 . 6.000 4.233 4.026 4.409 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
978 1 24 SER QB 1 29 ILE MD 3.600 . 5.200 3.927 3.314 4.277 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
979 1 26 SER HB3 1 27 LYS HB2 3.600 . 5.200 4.255 3.049 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
980 1 26 SER HB2 1 27 LYS HB2 4.200 . 6.000 3.690 2.903 4.384 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
981 1 11 GLU QG 1 40 ILE HG12 3.400 . 4.800 3.177 2.794 3.673 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
982 1 36 LYS HG2 1 59 ILE HA 4.800 . 6.000 4.930 4.516 5.411 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
983 1 29 ILE MD 1 60 GLN HG3 3.900 . 5.800 3.659 3.163 4.707 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
984 1 29 ILE MD 1 60 GLN HG2 3.900 . 5.800 3.710 3.281 4.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
985 1 35 GLN HB2 1 35 GLN HG3 2.100 . 2.700 2.139 1.951 2.273 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
986 1 35 GLN HB2 1 35 GLN HG2 2.100 . 2.600 2.171 2.098 2.306 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
987 1 5 GLN QB 1 5 GLN QG 2.100 . 2.600 1.995 1.937 2.048 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
988 1 5 GLN HA 1 5 GLN HG2 2.600 . 3.400 2.368 2.196 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
989 1 2 ASN HA 1 5 GLN HG3 4.200 . 6.000 4.807 3.418 5.865 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
990 1 67 LYS HA 1 67 LYS QB 3.000 . 4.100 2.127 2.011 2.256 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
991 1 10 ARG HB3 1 41 GLU HG3 3.800 . 5.600 4.850 4.313 5.385 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
992 1 31 LYS HB3 1 34 SER QB 4.000 . 6.000 4.551 4.017 5.086 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
993 1 32 SER QB 1 59 ILE MG 2.500 . 3.300 2.231 1.904 2.500 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
994 1 31 LYS HG3 1 32 SER QB 4.000 . 6.000 4.177 3.489 4.474 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
995 1 32 SER HB3 1 33 ILE HG13 2.800 . 3.800 2.753 2.624 2.979 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
996 1 40 ILE MD 1 55 HIS HA 4.500 . 6.000 4.192 3.941 4.450 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
997 1 32 SER HA 1 32 SER HB3 2.200 . 2.800 2.424 2.164 2.690 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
998 1 9 LEU HB2 1 11 GLU HB2 4.300 . 6.000 3.775 3.186 4.174 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
999 1 9 LEU HB2 1 11 GLU HB3 4.700 . 6.000 5.023 4.515 5.335 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1000 1 31 LYS HB3 1 31 LYS HE3 4.100 . 6.000 3.292 2.263 3.930 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1001 1 31 LYS HB3 1 31 LYS HG2 2.200 . 2.800 2.115 1.958 2.219 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1002 1 31 LYS HB3 1 31 LYS HG3 2.100 . 2.700 2.395 2.282 2.522 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1003 1 27 LYS QB 1 27 LYS HG2 2.300 . 3.000 2.264 2.060 2.386 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1004 1 27 LYS QB 1 27 LYS HG3 1.900 . 2.400 2.004 1.932 2.356 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1005 1 63 ARG HB3 1 63 ARG QD 2.900 . 4.000 2.472 1.885 2.831 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1006 1 63 ARG HB2 1 63 ARG QD 2.700 . 3.600 1.997 1.758 2.373 0.042 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1007 1 12 ASP HA 1 39 LYS QB 2.500 . 3.300 2.363 2.028 2.694 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1008 1 55 HIS HD2 1 58 LEU MD1 2.300 . 3.000 2.020 1.933 2.072 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1009 1 53 ASP QB 1 54 TYR HA 3.600 . 5.200 3.686 3.392 4.033 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1010 1 29 ILE MD 1 56 LYS HA 3.100 . 4.300 3.312 3.006 3.611 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1011 1 51 ILE HG12 1 56 LYS HA 3.600 . 5.200 4.272 4.134 4.418 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1012 1 23 ALA MB 1 56 LYS HA 3.700 . 5.400 3.631 3.381 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1013 1 57 ASN HB3 1 61 SER HA 3.900 . 5.800 4.532 3.525 5.526 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1014 1 40 ILE MD 1 55 HIS HB3 3.300 . 4.700 3.103 2.707 3.463 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1015 1 29 ILE MG 1 55 HIS HB2 3.200 . 4.500 3.950 3.653 4.328 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1016 1 11 GLU HB3 1 40 ILE HA 4.100 . 6.000 4.251 3.488 4.673 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1017 1 32 SER HB3 1 33 ILE HG13 3.100 . 4.300 2.641 2.153 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1018 1 5 GLN HB3 1 50 TYR HB3 3.700 . 5.400 3.594 3.074 3.905 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1019 1 28 ARG QD 1 60 GLN HA 4.400 . 6.000 4.054 3.648 4.630 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1020 1 25 PHE HA 1 29 ILE HG13 4.200 . 6.000 4.261 3.752 4.625 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1021 1 23 ALA MB 1 53 ASP HA 4.400 . 6.000 3.852 3.449 4.275 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1022 1 26 SER HA 1 29 ILE MD 3.200 . 4.400 4.198 3.909 4.475 0.075 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1023 1 26 SER HA 1 27 LYS QB 4.400 . 6.000 4.439 4.125 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1024 1 66 ARG HA 1 66 ARG QG 2.400 . 3.100 2.132 1.857 2.345 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1025 1 65 ARG HA 1 65 ARG QD 3.800 . 5.600 3.076 1.976 3.608 0.024 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1026 1 18 ARG HA 1 18 ARG HG2 2.400 . 3.100 2.444 2.190 2.722 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1027 1 18 ARG HA 1 18 ARG HB2 2.000 . 2.500 1.932 1.834 2.056 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1028 1 36 LYS HA 1 36 LYS HD3 2.200 . 2.800 1.922 1.784 2.079 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1029 1 9 LEU HB2 1 9 LEU MD1 2.600 . 3.400 2.247 2.168 2.329 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1030 1 42 LEU MD2 1 44 LYS HG2 3.600 . 5.300 3.327 2.033 4.413 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1031 1 24 SER QB 1 49 LEU MD1 4.200 . 6.000 4.066 3.411 4.465 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1032 1 6 LEU MD1 1 6 LEU MD2 2.000 . 2.500 1.869 1.832 1.874 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1033 1 6 LEU MD1 1 17 GLY HA3 3.500 . 5.000 4.139 3.533 4.582 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1034 1 27 LYS QE 1 27 LYS HG3 3.400 . 4.800 2.512 2.010 3.137 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1035 1 27 LYS QE 1 27 LYS HG2 2.900 . 4.000 2.487 1.952 3.126 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1036 1 27 LYS HB3 1 27 LYS HG2 1.900 . 2.400 1.810 1.743 1.856 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1037 1 31 LYS HB3 1 31 LYS HG2 2.000 . 2.500 2.100 1.936 2.271 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1038 1 31 LYS QE 1 31 LYS HG2 3.300 . 4.700 2.066 1.888 2.396 0.012 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1039 1 42 LEU MD1 1 46 ALA MB 3.300 . 4.600 3.621 2.839 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1040 1 8 CYS HB3 1 42 LEU MD1 3.100 . 4.300 3.570 2.352 4.423 0.123 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1041 1 9 LEU HA 1 42 LEU MD1 4.200 . 6.000 4.118 3.353 4.750 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1042 1 6 LEU HA 1 6 LEU MD1 3.400 . 4.900 3.212 1.944 3.726 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1043 1 22 ASN HA 1 22 ASN HB2 2.400 . 3.100 2.362 2.195 2.673 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1044 1 22 ASN HA 1 22 ASN HB3 2.400 . 3.100 2.468 2.037 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1045 1 3 ALA HA 1 3 ALA MB 2.100 . 2.700 1.896 1.890 1.901 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1046 1 7 CYS HA 1 20 ALA HA 3.600 . 5.200 3.318 2.912 3.543 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1047 1 5 GLN HA 1 6 LEU MD2 3.600 . 5.200 3.788 3.386 4.389 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1048 1 9 LEU HB2 1 9 LEU MD2 2.800 . 3.800 2.600 2.314 2.814 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1049 1 9 LEU MD2 1 42 LEU HB2 2.900 . 3.900 2.512 2.184 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1050 1 9 LEU MD2 1 40 ILE HB 4.900 . 6.000 4.191 3.929 4.517 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1051 1 33 ILE HG13 1 38 VAL MG2 3.400 . 4.800 3.641 2.882 3.997 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1052 1 36 LYS HB3 1 38 VAL MG2 3.300 . 4.700 3.349 2.677 3.886 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1053 1 36 LYS HG2 1 38 VAL MG1 2.800 . 3.800 2.596 1.905 3.213 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1054 1 36 LYS HD2 1 38 VAL MG1 3.000 . 4.100 2.919 2.195 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1055 1 33 ILE HA 1 38 VAL MG1 3.500 . 5.000 4.374 3.798 4.640 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1056 1 58 LEU HA 1 62 VAL MG2 3.800 . 5.600 3.661 3.116 4.406 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1057 1 36 LYS HG2 1 62 VAL MG2 3.800 . 5.600 3.550 2.769 4.146 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1058 1 36 LYS HG3 1 62 VAL MG2 3.800 . 5.700 3.814 3.170 4.267 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1059 1 36 LYS QD 1 62 VAL MG1 3.800 . 5.600 2.455 1.914 3.045 0.086 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1060 1 59 ILE HG13 1 62 VAL MG2 4.700 . 6.000 4.151 2.550 4.580 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1061 1 36 LYS HB2 1 62 VAL MG2 4.500 . 6.000 4.916 4.573 5.326 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1062 1 33 ILE MD 1 40 ILE MG 2.300 . 3.000 2.196 2.032 2.289 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1063 1 9 LEU HG 1 40 ILE MG 3.900 . 5.800 4.086 3.898 4.287 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1064 1 9 LEU HA 1 40 ILE MG 4.000 . 6.000 3.299 3.073 3.444 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1065 1 7 CYS HA 1 20 ALA MB 3.100 . 4.300 3.078 2.802 3.490 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1066 1 20 ALA MB 1 50 TYR HA 4.300 . 6.000 3.597 3.403 3.775 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1067 1 49 LEU HA 1 51 ILE MG 4.400 . 6.000 3.607 3.434 3.752 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1068 1 8 CYS HB3 1 46 ALA MB 2.800 . 3.800 2.593 2.136 3.061 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1069 1 8 CYS HA 1 46 ALA MB 2.900 . 3.900 3.231 2.932 3.386 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1070 1 23 ALA MB 1 51 ILE HB 3.600 . 5.300 3.507 3.156 3.873 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1071 1 29 ILE MG 1 32 SER HB3 4.100 . 6.000 3.710 3.187 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1072 1 29 ILE MG 1 30 GLN HB3 4.000 . 6.000 4.108 3.767 4.316 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1073 1 27 LYS QD 1 27 LYS HG2 1.500 . 2.200 1.639 1.597 1.686 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1074 1 27 LYS QD 1 27 LYS HG3 1.700 . 2.200 1.963 1.813 2.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1075 1 20 ALA HA 1 52 CYS HB2 3.700 . 5.400 3.287 3.072 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1076 1 20 ALA HA 1 52 CYS HB3 3.500 . 5.000 2.925 2.701 3.177 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1077 1 10 ARG HG3 1 43 ASP HA 4.400 . 6.000 4.120 3.558 4.700 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1078 1 8 CYS H 1 8 CYS HB3 4.400 . 6.000 2.541 2.057 3.003 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1079 1 2 ASN HA 1 3 ALA MB 4.800 . 6.000 3.522 3.255 3.880 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1080 1 32 SER HB2 1 59 ILE MG 2.900 . 3.900 2.910 2.193 3.471 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1081 1 26 SER HB3 1 28 ARG HD2 3.800 . 5.600 4.321 3.775 4.966 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1082 1 10 ARG HG3 1 43 ASP H 3.800 . 5.600 3.642 3.333 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1083 1 5 GLN QB 1 6 LEU H 2.400 . 3.100 2.129 1.853 2.730 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1084 1 25 PHE H 1 49 LEU HA 4.300 . 6.000 3.559 3.231 4.277 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1085 1 44 LYS HA 1 46 ALA H 3.700 . 5.400 3.324 2.912 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1086 1 5 GLN HB2 1 20 ALA H 3.400 . 4.800 3.205 2.472 3.666 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1087 1 68 ARG HB3 1 69 LYS H 3.400 . 4.800 2.564 1.851 3.201 0.149 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1088 1 68 ARG HA 1 69 LYS H 2.600 . 3.400 2.352 2.084 2.808 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1089 1 16 CYS HB3 1 18 ARG H 3.700 . 5.400 3.008 2.301 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1090 1 16 CYS HA 1 18 ARG H 3.700 . 5.400 3.958 3.724 4.328 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1091 1 18 ARG HB2 1 19 ALA H 2.600 . 3.400 2.364 1.795 2.994 0.005 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1092 1 18 ARG HA 1 19 ALA H 2.200 . 2.800 2.012 1.862 2.195 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1093 1 66 ARG HA 1 67 LYS H 2.600 . 3.400 2.305 2.003 2.794 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1094 1 9 LEU MD2 1 41 GLU H 3.800 . 5.600 3.707 3.097 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1095 1 6 LEU MD2 1 7 CYS H 3.000 . 4.100 3.254 2.780 3.511 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1096 1 6 LEU MD1 1 7 CYS H 2.500 . 3.300 2.759 2.566 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1097 1 33 ILE MG 1 41 GLU H 3.400 . 4.900 4.139 4.037 4.245 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1098 1 6 LEU HB2 1 7 CYS H 2.300 . 3.000 2.368 2.246 2.489 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1099 1 41 GLU H 1 41 GLU HB2 2.600 . 3.400 2.464 2.087 2.808 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1100 1 41 GLU H 1 41 GLU HB3 2.700 . 3.600 2.442 2.001 2.889 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1101 1 41 GLU H 1 41 GLU HG3 3.200 . 4.500 2.931 2.191 4.233 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1102 1 6 LEU HA 1 7 CYS H 2.100 . 2.700 2.074 1.953 2.193 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1103 1 29 ILE MD 1 56 LYS H 4.000 . 6.000 4.711 4.462 4.910 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1104 1 23 ALA MB 1 56 LYS H 3.300 . 4.600 3.654 3.338 4.094 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1105 1 7 CYS H 1 20 ALA MB 3.400 . 4.900 3.604 3.398 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1106 1 65 ARG HG3 1 66 ARG H 3.300 . 4.700 3.538 2.576 4.098 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1107 1 65 ARG HB2 1 66 ARG H 2.700 . 3.600 2.610 1.995 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1108 1 65 ARG HA 1 66 ARG H 2.600 . 3.500 2.447 2.060 2.816 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1109 1 7 CYS HB2 1 53 ASP H 4.100 . 6.000 5.623 5.326 5.878 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1110 1 28 ARG HB2 1 29 ILE H 2.300 . 2.900 2.482 2.393 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1111 1 26 SER HB2 1 29 ILE H 3.900 . 5.800 3.784 2.840 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1112 1 28 ARG H 1 29 ILE H 2.500 . 3.300 2.394 2.312 2.537 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1113 1 13 GLY H 1 14 GLU HB2 3.700 . 5.400 3.937 3.201 4.294 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1114 1 11 GLU HB3 1 14 GLU H 3.100 . 4.300 3.164 2.500 3.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1115 1 28 ARG HG2 1 30 GLN H 3.800 . 5.600 4.121 3.961 4.274 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1116 1 29 ILE HB 1 30 GLN H 2.300 . 3.000 2.311 2.098 2.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1117 1 29 ILE MG 1 33 ILE H 3.200 . 4.500 3.231 3.079 3.390 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1118 1 5 GLN H 1 5 GLN HB2 2.300 . 3.000 2.087 1.897 2.313 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1119 1 30 GLN HA 1 31 LYS H 3.200 . 4.500 3.150 3.028 3.262 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1120 1 32 SER HB3 1 33 ILE H 2.300 . 3.000 2.487 2.265 2.802 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1121 1 5 GLN H 1 5 GLN HA 2.800 . 3.800 2.765 2.669 2.814 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1122 1 27 LYS HG2 1 28 ARG H 3.000 . 4.100 3.105 1.876 4.153 0.053 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1123 1 30 GLN HB2 1 31 LYS H 2.300 . 2.900 2.921 2.179 3.191 0.291 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1124 1 27 LYS HA 1 28 ARG H 3.200 . 4.500 3.330 3.246 3.406 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1125 1 28 ARG H 1 28 ARG HA 2.700 . 3.600 2.673 2.636 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1126 1 40 ILE MD 1 59 ILE H 4.100 . 6.000 4.823 4.605 4.957 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1127 1 36 LYS H 1 38 VAL QG 3.600 . 5.300 4.110 3.869 4.341 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1128 1 35 GLN HA 1 36 LYS H 2.600 . 3.500 2.735 2.684 2.772 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1129 1 58 LEU HA 1 60 GLN H 4.300 . 6.000 4.636 4.246 4.991 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1130 1 10 ARG H 1 41 GLU HG3 3.900 . 5.800 4.236 3.343 5.047 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1131 1 10 ARG H 1 10 ARG HD2 4.900 . 6.000 4.637 3.907 4.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1132 1 33 ILE HG13 1 37 LYS H 3.400 . 4.900 3.818 3.095 4.381 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1133 1 36 LYS HB3 1 37 LYS H 2.700 . 3.600 2.954 2.789 3.127 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1134 1 35 GLN HA 1 37 LYS H 2.700 . 3.600 3.369 3.196 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1135 1 29 ILE MD 1 57 ASN H 4.300 . 6.000 5.209 5.057 5.377 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1136 1 56 LYS HD2 1 57 ASN H 4.600 . 6.000 4.618 4.441 4.746 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1137 1 54 TYR HA 1 57 ASN H 3.800 . 5.700 3.794 3.670 3.897 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1138 1 29 ILE MG 1 32 SER H 3.600 . 5.200 3.994 3.794 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1139 1 31 LYS H 1 32 SER H 2.300 . 3.000 2.414 2.244 2.516 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1140 1 20 ALA H 1 21 GLY H 4.500 . 6.000 3.982 3.694 4.247 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1141 1 21 GLY H 1 22 ASN H 4.200 . 6.000 3.500 3.134 3.909 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1142 1 48 HIS HB3 1 48 HIS HE1 4.400 . 6.000 4.349 3.526 4.893 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1143 1 48 HIS HB3 1 50 TYR QD 3.300 . 4.600 2.405 2.299 2.557 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1144 1 25 PHE QD 1 42 LEU MD2 2.700 . 3.600 3.062 2.496 3.545 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1145 1 25 PHE QD 1 29 ILE MD 2.400 . 3.100 2.641 2.377 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1146 1 25 PHE QD 1 29 ILE HG13 4.000 . 6.000 4.479 4.115 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1147 1 25 PHE QD 1 30 GLN HB3 3.700 . 5.400 5.177 4.906 5.435 0.035 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1148 1 9 LEU HB3 1 25 PHE QE 4.100 . 6.000 3.771 3.181 4.494 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1149 1 25 PHE HZ 1 33 ILE MD 3.000 . 4.100 3.160 2.923 3.418 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1150 1 40 ILE HB 1 55 HIS HD2 4.100 . 6.000 4.724 4.440 5.007 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1151 1 11 GLU HB2 1 55 HIS HD2 3.100 . 4.300 3.330 3.122 3.508 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1152 1 48 HIS HB3 1 50 TYR QE 3.600 . 5.200 3.781 3.064 4.324 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
1153 1 54 TYR HA 1 54 TYR QE 4.000 . 6.000 4.042 3.864 4.265 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 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 18
_Distance_constraint_stats_list.Viol_count 25
_Distance_constraint_stats_list.Viol_total 26.322
_Distance_constraint_stats_list.Viol_max 0.074
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0224
_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 27 LYS 0.018 0.012 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 30 GLN 0.004 0.004 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 31 LYS 0.289 0.063 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 34 SER 0.004 0.004 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 35 GLN 0.270 0.063 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 54 TYR 0.239 0.074 3 0 "[ . 1 . 2 . 3 . 4 . ]"
1 55 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 56 LYS 0.028 0.028 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 58 LEU 0.239 0.074 3 0 "[ . 1 . 2 . 3 . 4 . ]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 60 GLN 0.028 0.028 41 0 "[ . 1 . 2 . 3 . 4 . ]"
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 27 LYS O 1 31 LYS H 1.900 . 2.100 1.865 1.727 2.106 0.006 14 0 "[ . 1 . 2 . 3 . 4 . ]" 2
2 1 27 LYS O 1 31 LYS N 2.900 2.700 3.100 2.812 2.688 3.032 0.012 13 0 "[ . 1 . 2 . 3 . 4 . ]" 2
3 1 28 ARG O 1 32 SER H 1.900 . 2.100 1.936 1.758 2.089 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
4 1 28 ARG O 1 32 SER N 2.900 2.700 3.100 2.862 2.714 2.991 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
5 1 29 ILE O 1 33 ILE H 1.900 . 2.100 1.954 1.805 2.086 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
6 1 29 ILE O 1 33 ILE N 2.900 2.700 3.100 2.877 2.760 3.048 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
7 1 30 GLN O 1 34 SER H 1.900 . 2.100 1.950 1.859 2.060 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
8 1 30 GLN O 1 34 SER N 2.900 2.700 3.100 2.865 2.696 2.973 0.004 31 0 "[ . 1 . 2 . 3 . 4 . ]" 2
9 1 31 LYS O 1 35 GLN H 1.900 . 2.100 2.030 1.878 2.163 0.063 41 0 "[ . 1 . 2 . 3 . 4 . ]" 2
10 1 31 LYS O 1 35 GLN N 2.900 2.700 3.100 2.945 2.816 3.075 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
11 1 53 ASP O 1 57 ASN H 1.900 . 2.100 1.961 1.854 2.097 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
12 1 53 ASP O 1 57 ASN N 2.900 2.700 3.100 2.932 2.830 3.065 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
13 1 54 TYR O 1 58 LEU H 1.900 . 2.100 2.055 1.991 2.174 0.074 3 0 "[ . 1 . 2 . 3 . 4 . ]" 2
14 1 54 TYR O 1 58 LEU N 2.900 2.700 3.100 2.955 2.887 3.046 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
15 1 55 HIS O 1 59 ILE H 1.900 . 2.100 1.934 1.846 2.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
16 1 55 HIS O 1 59 ILE N 2.900 2.700 3.100 2.843 2.739 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
17 1 56 LYS O 1 60 GLN H 1.900 . 2.100 1.963 1.840 2.128 0.028 41 0 "[ . 1 . 2 . 3 . 4 . ]" 2
18 1 56 LYS O 1 60 GLN N 2.900 2.700 3.100 2.891 2.788 3.051 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
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