NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
496003 |
2xfm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2xfm
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 1350
_Distance_constraint_stats_list.Viol_count 679
_Distance_constraint_stats_list.Viol_total 762.370
_Distance_constraint_stats_list.Viol_max 0.992
_Distance_constraint_stats_list.Viol_rms 0.0400
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.1123
_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 SER 1.201 0.473 3 0 "[ . 1]"
1 3 GLU 0.316 0.109 9 0 "[ . 1]"
1 4 THR 0.137 0.063 5 0 "[ . 1]"
1 5 VAL 0.038 0.037 4 0 "[ . 1]"
1 6 LEU 0.717 0.603 8 1 "[ . + 1]"
1 7 ASP 0.146 0.063 5 0 "[ . 1]"
1 8 PHE 4.308 0.987 2 4 "[ + *.* - 1]"
1 9 MET 1.093 0.603 8 1 "[ . + 1]"
1 10 PHE 0.000 0.000 . 0 "[ . 1]"
1 11 ASN 0.638 0.228 8 0 "[ . 1]"
1 12 LEU 2.421 0.696 10 1 "[ . +]"
1 13 TYR 0.098 0.053 3 0 "[ . 1]"
1 14 GLN 0.000 0.000 . 0 "[ . 1]"
1 15 GLN 1.763 0.696 10 1 "[ . +]"
1 16 THR 1.038 0.350 2 0 "[ . 1]"
1 17 GLU 2.272 0.549 5 2 "[ +- 1]"
1 18 GLU 2.514 0.669 8 1 "[ . + 1]"
1 19 HIS 0.392 0.110 5 0 "[ . 1]"
1 20 LYS 0.445 0.110 5 0 "[ . 1]"
1 21 PHE 2.876 0.669 8 1 "[ . + 1]"
1 22 GLN 0.472 0.083 1 0 "[ . 1]"
1 23 GLU 0.210 0.086 1 0 "[ . 1]"
1 24 GLN 3.159 0.847 10 2 "[ . - +]"
1 25 VAL 0.429 0.072 10 0 "[ . 1]"
1 26 SER 0.358 0.182 10 0 "[ . 1]"
1 27 LYS 6.131 0.847 10 2 "[ . - +]"
1 28 GLU 0.193 0.094 1 0 "[ . 1]"
1 29 LEU 4.797 0.987 2 4 "[ + *.* - 1]"
1 30 ILE 0.000 0.000 . 0 "[ . 1]"
1 31 GLY 0.052 0.052 3 0 "[ . 1]"
1 32 LEU 0.975 0.420 6 0 "[ . 1]"
1 33 ILE 0.022 0.019 6 0 "[ . 1]"
1 34 VAL 0.226 0.055 3 0 "[ . 1]"
1 35 LEU 2.200 0.254 9 0 "[ . 1]"
1 36 THR 0.222 0.100 1 0 "[ . 1]"
1 37 LYS 0.000 0.000 . 0 "[ . 1]"
1 38 TYR 0.493 0.160 7 0 "[ . 1]"
1 39 ASN 0.000 0.000 . 0 "[ . 1]"
1 40 ASN 0.070 0.070 6 0 "[ . 1]"
1 41 LYS 0.260 0.108 6 0 "[ . 1]"
1 42 THR 3.720 0.254 9 0 "[ . 1]"
1 43 TYR 1.476 0.872 6 1 "[ .+ 1]"
1 44 ARG 2.216 0.363 8 0 "[ . 1]"
1 45 VAL 0.000 0.000 . 0 "[ . 1]"
1 46 ASP 0.000 0.000 . 0 "[ . 1]"
1 47 ASP 0.034 0.023 4 0 "[ . 1]"
1 48 ILE 1.053 0.175 7 0 "[ . 1]"
1 49 ASP 0.941 0.175 7 0 "[ . 1]"
1 50 TRP 1.331 0.152 3 0 "[ . 1]"
1 51 ASP 1.131 0.300 10 0 "[ . 1]"
1 52 GLN 1.756 0.442 9 0 "[ . 1]"
1 53 ASN 0.943 0.280 9 0 "[ . 1]"
1 54 PRO 0.852 0.101 7 0 "[ . 1]"
1 55 LYS 0.806 0.101 7 0 "[ . 1]"
1 56 SER 0.000 0.000 . 0 "[ . 1]"
1 57 THR 0.064 0.057 8 0 "[ . 1]"
1 58 PHE 0.391 0.097 7 0 "[ . 1]"
1 59 LYS 0.496 0.214 8 0 "[ . 1]"
1 60 LYS 0.195 0.075 10 0 "[ . 1]"
1 61 ALA 0.705 0.117 5 0 "[ . 1]"
1 62 ASP 0.382 0.094 7 0 "[ . 1]"
1 63 GLY 1.250 0.174 5 0 "[ . 1]"
1 64 SER 2.227 0.735 3 3 "[ + * - 1]"
1 65 GLU 1.208 0.153 9 0 "[ . 1]"
1 66 VAL 0.246 0.117 9 0 "[ . 1]"
1 67 SER 0.498 0.153 9 0 "[ . 1]"
1 68 PHE 1.307 0.138 1 0 "[ . 1]"
1 69 LEU 0.164 0.069 3 0 "[ . 1]"
1 70 GLU 0.007 0.007 1 0 "[ . 1]"
1 71 TYR 1.332 0.289 5 0 "[ . 1]"
1 72 TYR 1.493 0.289 5 0 "[ . 1]"
1 73 ARG 0.888 0.110 6 0 "[ . 1]"
1 74 LYS 0.942 0.162 9 0 "[ . 1]"
1 75 GLN 2.136 0.274 9 0 "[ . 1]"
1 76 TYR 0.882 0.093 10 0 "[ . 1]"
1 77 ASN 3.644 0.274 9 0 "[ . 1]"
1 78 GLN 1.097 0.514 9 1 "[ . +1]"
1 79 GLU 1.399 0.165 3 0 "[ . 1]"
1 80 ILE 0.979 0.138 1 0 "[ . 1]"
1 81 THR 1.677 0.165 3 0 "[ . 1]"
1 82 ASP 2.258 0.227 8 0 "[ . 1]"
1 83 LEU 2.751 0.372 7 0 "[ . 1]"
1 84 LYS 3.220 0.372 7 0 "[ . 1]"
1 85 GLN 1.131 0.300 10 0 "[ . 1]"
1 86 PRO 1.327 0.442 9 0 "[ . 1]"
1 87 VAL 0.444 0.160 1 0 "[ . 1]"
1 88 LEU 0.048 0.048 6 0 "[ . 1]"
1 89 VAL 0.350 0.063 8 0 "[ . 1]"
1 90 SER 0.000 0.000 . 0 "[ . 1]"
1 93 LYS 0.000 0.000 . 0 "[ . 1]"
1 96 ARG 1.864 0.598 9 2 "[ -. +1]"
1 97 GLY 4.316 0.992 7 3 "[ -. + *1]"
1 98 PRO 0.239 0.091 1 0 "[ . 1]"
1 99 GLY 2.391 0.992 7 2 "[ -. + 1]"
1 101 THR 0.281 0.124 2 0 "[ . 1]"
1 102 LEU 1.549 0.347 2 0 "[ . 1]"
1 103 PRO 1.190 0.347 2 0 "[ . 1]"
1 105 PRO 0.000 0.000 . 0 "[ . 1]"
1 106 ALA 1.129 0.158 6 0 "[ . 1]"
1 107 MET 0.460 0.063 8 0 "[ . 1]"
1 108 LEU 1.664 0.872 6 1 "[ .+ 1]"
1 109 ILE 0.576 0.160 1 0 "[ . 1]"
1 110 PRO 0.047 0.038 9 0 "[ . 1]"
1 111 GLU 3.045 0.312 2 0 "[ . 1]"
1 112 LEU 0.381 0.160 7 0 "[ . 1]"
1 113 CYS 0.000 0.000 . 0 "[ . 1]"
1 114 TYR 4.080 0.473 3 0 "[ . 1]"
1 115 LEU 0.215 0.129 1 0 "[ . 1]"
1 116 THR 0.000 0.000 . 0 "[ . 1]"
1 117 GLY 0.000 0.000 . 0 "[ . 1]"
1 118 LEU 3.578 0.325 8 0 "[ . 1]"
1 119 THR 0.956 0.420 6 0 "[ . 1]"
1 120 ASP 0.000 0.000 . 0 "[ . 1]"
2 1 A 0.103 0.096 1 0 "[ . 1]"
2 2 C 0.103 0.096 1 0 "[ . 1]"
2 3 C 6.684 0.939 7 1 "[ . + 1]"
2 4 G 0.538 0.181 8 0 "[ . 1]"
2 5 A 2.142 0.187 8 0 "[ . 1]"
2 6 C 2.548 0.245 5 0 "[ . 1]"
2 7 U 0.300 0.177 9 0 "[ . 1]"
2 8 . 1.613 0.161 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 THR H 1 7 ASP HB3 3.700 . 5.400 3.836 3.115 5.419 0.019 5 0 "[ . 1]" 1
2 1 4 THR H 1 7 ASP HB2 3.400 . 4.800 3.752 3.102 4.162 . 0 0 "[ . 1]" 1
3 1 3 GLU QG 1 4 THR H 3.000 . 4.100 2.263 1.887 3.292 0.013 10 0 "[ . 1]" 1
4 1 3 GLU HB2 1 4 THR H 4.000 . 6.000 3.776 2.008 4.212 . 0 0 "[ . 1]" 1
5 1 4 THR H 1 4 THR MG 2.800 . 6.000 2.220 1.761 3.732 . 0 0 "[ . 1]" 1
6 1 4 THR H 1 115 LEU QD 4.100 . 6.000 4.723 4.380 4.965 . 0 0 "[ . 1]" 1
7 1 4 THR H 1 5 VAL H 4.400 . 6.000 4.588 4.559 4.630 . 0 0 "[ . 1]" 1
8 1 4 THR HA 1 5 VAL H 3.000 . 4.100 2.331 2.300 2.402 . 0 0 "[ . 1]" 1
9 1 4 THR HB 1 5 VAL H 3.000 . 4.100 3.516 2.571 3.846 . 0 0 "[ . 1]" 1
10 1 5 VAL H 1 113 CYS HB3 4.100 . 6.000 5.452 4.564 5.993 . 0 0 "[ . 1]" 1
11 1 5 VAL H 1 5 VAL HB 2.800 . 3.800 2.830 2.599 3.627 . 0 0 "[ . 1]" 1
12 1 6 LEU H 1 7 ASP H 2.700 . 3.600 2.696 2.601 2.804 . 0 0 "[ . 1]" 1
13 1 6 LEU H 1 8 PHE H 3.600 . 5.200 4.113 3.979 4.255 . 0 0 "[ . 1]" 1
14 1 5 VAL H 1 6 LEU H 2.800 . 3.800 2.563 2.498 2.645 . 0 0 "[ . 1]" 1
15 1 4 THR HB 1 6 LEU H 3.200 . 4.500 3.846 2.331 4.517 0.017 7 0 "[ . 1]" 1
16 1 6 LEU H 1 111 GLU HA 3.100 . 6.000 4.460 3.940 5.121 . 0 0 "[ . 1]" 1
17 1 5 VAL HA 1 6 LEU H 3.700 . 5.400 3.490 3.459 3.526 . 0 0 "[ . 1]" 1
18 1 6 LEU H 1 111 GLU HG2 4.200 . 6.000 5.225 4.612 5.637 . 0 0 "[ . 1]" 1
19 1 5 VAL HB 1 6 LEU H 3.000 . 4.100 2.990 2.652 4.049 . 0 0 "[ . 1]" 1
20 1 6 LEU H 1 6 LEU HB3 3.300 . 4.600 2.966 2.511 3.596 . 0 0 "[ . 1]" 1
21 1 4 THR H 1 7 ASP H 3.300 . 4.700 4.242 3.956 4.526 . 0 0 "[ . 1]" 1
22 1 7 ASP H 1 9 MET H 3.900 . 5.800 4.349 4.277 4.501 . 0 0 "[ . 1]" 1
23 1 7 ASP H 1 8 PHE H 2.700 . 3.600 2.620 2.534 2.680 . 0 0 "[ . 1]" 1
24 1 4 THR HB 1 7 ASP H 3.400 . 4.800 4.155 2.559 4.863 0.063 5 0 "[ . 1]" 1
25 1 6 LEU HA 1 7 ASP H 3.500 . 5.100 3.541 3.507 3.580 . 0 0 "[ . 1]" 1
26 1 7 ASP H 1 7 ASP HB3 3.700 . 5.400 2.831 2.552 3.606 . 0 0 "[ . 1]" 1
27 1 7 ASP H 1 7 ASP HB2 2.700 . 3.600 2.454 2.358 2.548 . 0 0 "[ . 1]" 1
28 1 3 GLU HB3 1 7 ASP H 3.900 . 5.800 4.150 3.791 4.581 . 0 0 "[ . 1]" 1
29 1 6 LEU HB3 1 7 ASP H 3.300 . 4.600 2.844 2.424 3.610 . 0 0 "[ . 1]" 1
30 1 6 LEU QD 1 7 ASP H 2.500 . 6.000 3.737 3.430 4.027 . 0 0 "[ . 1]" 1
31 1 8 PHE H 1 9 MET H 2.700 . 3.600 2.770 2.706 2.798 . 0 0 "[ . 1]" 1
32 1 8 PHE H 1 8 PHE QD 4.200 . 6.000 4.185 4.165 4.199 . 0 0 "[ . 1]" 1
33 1 8 PHE H 1 8 PHE HA 2.700 . 3.600 2.810 2.800 2.832 . 0 0 "[ . 1]" 1
34 1 5 VAL HA 1 8 PHE H 3.100 . 4.300 3.506 3.298 3.660 . 0 0 "[ . 1]" 1
35 1 7 ASP HB2 1 8 PHE H 3.400 . 4.800 3.600 2.743 3.912 . 0 0 "[ . 1]" 1
36 1 3 GLU QG 1 8 PHE H 3.300 . 4.700 3.902 3.313 4.354 . 0 0 "[ . 1]" 1
37 1 8 PHE H 1 29 LEU QD 3.700 . 6.000 5.385 4.964 5.730 . 0 0 "[ . 1]" 1
38 1 7 ASP HB3 1 8 PHE H 2.800 . 3.800 2.827 2.480 3.806 0.006 8 0 "[ . 1]" 1
39 1 8 PHE H 1 8 PHE HB2 2.800 . 3.800 2.539 2.470 2.624 . 0 0 "[ . 1]" 1
40 1 8 PHE H 1 8 PHE HB3 2.600 . 3.400 2.517 2.410 2.579 . 0 0 "[ . 1]" 1
41 1 8 PHE QD 1 9 MET H 3.300 . 4.700 3.286 3.168 3.383 . 0 0 "[ . 1]" 1
42 1 8 PHE HA 1 9 MET H 3.300 . 4.700 3.572 3.554 3.590 . 0 0 "[ . 1]" 1
43 1 6 LEU HA 1 9 MET H 3.400 . 4.800 3.663 3.473 3.843 . 0 0 "[ . 1]" 1
44 1 9 MET H 1 9 MET HA 2.900 . 3.900 2.844 2.828 2.852 . 0 0 "[ . 1]" 1
45 1 8 PHE HB3 1 9 MET H 2.900 . 3.900 2.470 2.434 2.555 . 0 0 "[ . 1]" 1
46 1 8 PHE HB2 1 9 MET H 3.900 . 5.800 3.830 3.766 3.906 . 0 0 "[ . 1]" 1
47 1 9 MET H 1 9 MET QB 2.700 . 3.600 2.560 2.257 2.664 . 0 0 "[ . 1]" 1
48 1 9 MET H 1 9 MET QB 2.600 . 3.400 2.060 1.970 2.245 . 0 0 "[ . 1]" 1
49 1 9 MET H 1 9 MET ME 4.100 . 6.000 3.989 3.607 4.665 . 0 0 "[ . 1]" 1
50 1 10 PHE H 1 12 LEU H 3.800 . 5.600 4.023 3.832 4.215 . 0 0 "[ . 1]" 1
51 1 10 PHE H 1 10 PHE QD 4.100 . 6.000 4.178 4.113 4.194 . 0 0 "[ . 1]" 1
52 1 9 MET HA 1 10 PHE H 3.500 . 5.000 3.506 3.491 3.518 . 0 0 "[ . 1]" 1
53 1 10 PHE H 1 10 PHE QB 2.200 . 2.800 2.252 2.240 2.263 . 0 0 "[ . 1]" 1
54 1 10 PHE H 1 11 ASN HB2 4.100 . 6.000 4.954 4.570 5.268 . 0 0 "[ . 1]" 1
55 1 9 MET QB 1 10 PHE H 2.900 . 4.000 2.334 2.248 2.648 . 0 0 "[ . 1]" 1
56 1 6 LEU QD 1 10 PHE H 3.200 . 6.000 4.104 3.305 5.022 . 0 0 "[ . 1]" 1
57 1 10 PHE H 1 11 ASN H 2.400 . 3.100 2.610 2.520 2.692 . 0 0 "[ . 1]" 1
58 1 11 ASN H 1 12 LEU H 2.400 . 3.100 2.701 2.597 2.822 . 0 0 "[ . 1]" 1
59 1 11 ASN H 1 11 ASN HD21 3.500 . 5.000 4.484 3.719 4.715 . 0 0 "[ . 1]" 1
60 1 10 PHE QD 1 11 ASN H 3.400 . 4.800 3.565 3.287 3.987 . 0 0 "[ . 1]" 1
61 1 11 ASN H 1 11 ASN HD22 4.700 . 6.000 5.589 4.165 5.816 . 0 0 "[ . 1]" 1
62 1 9 MET HA 1 11 ASN H 3.700 . 5.400 4.441 4.350 4.555 . 0 0 "[ . 1]" 1
63 1 10 PHE QB 1 11 ASN H 2.400 . 3.100 2.464 2.361 2.561 . 0 0 "[ . 1]" 1
64 1 11 ASN H 1 11 ASN HB3 2.800 . 3.800 2.618 2.359 3.614 . 0 0 "[ . 1]" 1
65 1 9 MET QB 1 11 ASN H 4.300 . 6.000 4.339 4.265 4.538 . 0 0 "[ . 1]" 1
66 1 11 ASN H 1 12 LEU HB3 4.700 . 6.000 5.021 4.834 5.294 . 0 0 "[ . 1]" 1
67 1 11 ASN H 1 12 LEU HB2 4.300 . 6.000 4.797 4.465 4.935 . 0 0 "[ . 1]" 1
68 1 12 LEU H 1 13 TYR H 2.500 . 3.300 2.649 2.521 2.819 . 0 0 "[ . 1]" 1
69 1 11 ASN HD21 1 12 LEU H 3.400 . 4.900 4.829 4.343 5.128 0.228 8 0 "[ . 1]" 1
70 1 12 LEU H 1 15 GLN HE21 3.600 . 5.200 4.377 3.577 5.107 . 0 0 "[ . 1]" 1
71 1 11 ASN HA 1 12 LEU H 3.300 . 4.600 3.519 3.505 3.540 . 0 0 "[ . 1]" 1
72 1 12 LEU H 1 12 LEU HA 2.900 . 4.000 2.815 2.763 2.851 . 0 0 "[ . 1]" 1
73 1 9 MET HA 1 12 LEU H 3.400 . 4.900 3.328 3.115 3.508 . 0 0 "[ . 1]" 1
74 1 10 PHE HB3 1 12 LEU H 4.100 . 6.000 4.972 4.809 5.142 . 0 0 "[ . 1]" 1
75 1 11 ASN QB 1 12 LEU H 2.900 . 3.900 2.491 2.195 2.697 . 0 0 "[ . 1]" 1
76 1 12 LEU H 1 12 LEU HB3 3.000 . 4.100 2.655 2.514 2.939 . 0 0 "[ . 1]" 1
77 1 12 LEU H 1 12 LEU HB2 2.300 . 3.000 2.344 2.120 2.461 . 0 0 "[ . 1]" 1
78 1 12 LEU H 1 12 LEU QD 3.600 . 5.200 3.612 3.385 3.684 . 0 0 "[ . 1]" 1
79 1 13 TYR H 1 21 PHE QE 3.400 . 6.000 3.228 2.820 3.843 . 0 0 "[ . 1]" 1
80 1 13 TYR H 1 13 TYR QD 4.400 . 6.000 4.178 4.116 4.216 . 0 0 "[ . 1]" 1
81 1 10 PHE HA 1 13 TYR H 3.100 . 4.300 3.398 3.117 3.625 . 0 0 "[ . 1]" 1
82 1 12 LEU HA 1 13 TYR H 3.400 . 4.800 3.521 3.493 3.549 . 0 0 "[ . 1]" 1
83 1 13 TYR H 1 13 TYR HB3 2.800 . 3.800 2.527 2.406 2.731 . 0 0 "[ . 1]" 1
84 1 13 TYR H 1 13 TYR HB2 3.000 . 4.100 2.491 2.293 2.597 . 0 0 "[ . 1]" 1
85 1 9 MET QB 1 13 TYR H 3.900 . 5.800 4.338 4.137 4.459 . 0 0 "[ . 1]" 1
86 1 12 LEU HB3 1 13 TYR H 3.300 . 4.600 2.648 2.527 2.813 . 0 0 "[ . 1]" 1
87 1 12 LEU HB2 1 13 TYR H 3.600 . 5.200 3.494 3.363 3.600 . 0 0 "[ . 1]" 1
88 1 12 LEU QD 1 13 TYR H 4.300 . 6.000 3.954 3.537 4.145 . 0 0 "[ . 1]" 1
89 1 13 TYR H 1 14 GLN H 2.700 . 3.600 2.687 2.572 2.817 . 0 0 "[ . 1]" 1
90 1 14 GLN H 1 15 GLN H 2.700 . 3.600 2.532 2.272 2.745 . 0 0 "[ . 1]" 1
91 1 13 TYR QD 1 14 GLN H 3.800 . 5.600 3.873 3.433 4.331 . 0 0 "[ . 1]" 1
92 1 13 TYR HA 1 14 GLN H 3.600 . 5.200 3.517 3.471 3.563 . 0 0 "[ . 1]" 1
93 1 13 TYR HB3 1 14 GLN H 3.200 . 4.500 2.775 2.601 2.958 . 0 0 "[ . 1]" 1
94 1 13 TYR HB2 1 14 GLN H 4.100 . 6.000 3.963 3.724 4.092 . 0 0 "[ . 1]" 1
95 1 14 GLN H 1 14 GLN QG 3.100 . 4.300 2.162 1.940 2.416 . 0 0 "[ . 1]" 1
96 1 14 GLN H 1 14 GLN QB 2.900 . 4.000 2.554 2.399 2.820 . 0 0 "[ . 1]" 1
97 1 15 GLN H 1 16 THR H 2.400 . 3.100 2.163 1.969 2.357 . 0 0 "[ . 1]" 1
98 1 15 GLN H 1 15 GLN HA 2.700 . 3.600 2.938 2.911 2.951 . 0 0 "[ . 1]" 1
99 1 15 GLN H 1 16 THR MG 4.700 . 6.000 5.414 5.224 5.733 . 0 0 "[ . 1]" 1
100 1 12 LEU QD 1 15 GLN H 4.200 . 6.000 4.316 3.824 4.625 . 0 0 "[ . 1]" 1
101 1 13 TYR HB3 1 15 GLN H 4.300 . 6.000 4.905 4.664 5.242 . 0 0 "[ . 1]" 1
102 1 13 TYR HA 1 15 GLN H 3.700 . 5.400 3.974 3.575 4.462 . 0 0 "[ . 1]" 1
103 1 16 THR H 1 17 GLU HA 3.700 . 5.500 4.961 4.793 5.310 . 0 0 "[ . 1]" 1
104 1 16 THR H 1 16 THR HB 2.500 . 3.300 2.881 2.689 2.993 . 0 0 "[ . 1]" 1
105 1 13 TYR HA 1 16 THR H 3.400 . 4.800 3.634 3.042 3.943 . 0 0 "[ . 1]" 1
106 1 13 TYR HB3 1 16 THR H 3.200 . 6.000 5.640 5.345 5.847 . 0 0 "[ . 1]" 1
107 1 15 GLN HG3 1 16 THR H 3.800 . 5.600 4.039 3.467 5.176 . 0 0 "[ . 1]" 1
108 1 15 GLN HB3 1 16 THR H 3.400 . 4.800 4.090 2.746 4.585 . 0 0 "[ . 1]" 1
109 1 15 GLN HB2 1 16 THR H 3.400 . 4.900 4.294 4.022 4.381 . 0 0 "[ . 1]" 1
110 1 12 LEU HB2 1 16 THR H 4.200 . 6.000 4.992 3.922 6.086 0.086 3 0 "[ . 1]" 1
111 1 16 THR H 1 16 THR MG 3.300 . 4.700 3.954 3.871 3.991 . 0 0 "[ . 1]" 1
112 1 16 THR H 1 17 GLU H 3.600 . 5.200 4.367 4.289 4.525 . 0 0 "[ . 1]" 1
113 1 16 THR HA 1 17 GLU H 2.200 . 2.800 2.265 2.165 2.430 . 0 0 "[ . 1]" 1
114 1 17 GLU H 1 17 GLU HA 2.700 . 3.600 2.799 2.757 2.838 . 0 0 "[ . 1]" 1
115 1 16 THR HB 1 17 GLU H 3.600 . 5.200 3.837 3.528 4.075 . 0 0 "[ . 1]" 1
116 1 17 GLU H 1 17 GLU QG 2.900 . 3.900 2.043 1.351 3.914 0.549 5 2 "[ +- 1]" 1
117 1 17 GLU H 1 17 GLU QB 2.600 . 3.500 2.780 2.196 2.920 . 0 0 "[ . 1]" 1
118 1 17 GLU H 1 20 LYS HB3 4.200 . 6.000 4.940 3.535 5.494 . 0 0 "[ . 1]" 1
119 1 17 GLU H 1 20 LYS HB2 3.100 . 4.300 3.758 3.146 4.264 . 0 0 "[ . 1]" 1
120 1 16 THR MG 1 17 GLU H 2.500 . 3.300 2.275 1.925 2.582 . 0 0 "[ . 1]" 1
121 1 17 GLU H 1 20 LYS QG 4.200 . 6.000 4.700 4.136 5.538 . 0 0 "[ . 1]" 1
122 1 17 GLU HA 1 18 GLU H 2.800 . 3.800 2.193 2.116 2.319 . 0 0 "[ . 1]" 1
123 1 18 GLU H 1 18 GLU HA 2.700 . 3.600 2.758 2.732 2.786 . 0 0 "[ . 1]" 1
124 1 17 GLU QG 1 18 GLU H 4.400 . 6.000 4.222 2.793 4.543 . 0 0 "[ . 1]" 1
125 1 17 GLU QB 1 18 GLU H 3.300 . 4.700 3.007 2.491 3.652 . 0 0 "[ . 1]" 1
126 1 16 THR MG 1 18 GLU H 4.300 . 6.000 4.993 4.840 5.165 . 0 0 "[ . 1]" 1
127 1 18 GLU H 1 19 HIS HE1 4.600 . 6.000 5.266 4.495 6.024 0.024 10 0 "[ . 1]" 1
128 1 19 HIS HB3 1 20 LYS H 3.800 . 5.600 4.035 3.857 4.243 . 0 0 "[ . 1]" 1
129 1 17 GLU QB 1 20 LYS H 4.400 . 6.000 2.870 2.534 3.181 . 0 0 "[ . 1]" 1
130 1 20 LYS H 1 20 LYS HB3 3.500 . 5.100 3.527 2.828 3.655 . 0 0 "[ . 1]" 1
131 1 20 LYS H 1 20 LYS HB2 2.400 . 3.100 2.391 2.099 2.522 . 0 0 "[ . 1]" 1
132 1 16 THR MG 1 20 LYS H 4.000 . 6.000 3.975 3.551 4.356 . 0 0 "[ . 1]" 1
133 1 20 LYS H 1 20 LYS QG 3.600 . 5.200 2.750 2.219 4.058 . 0 0 "[ . 1]" 1
134 1 21 PHE H 1 23 GLU H 3.400 . 4.800 4.166 3.901 4.354 . 0 0 "[ . 1]" 1
135 1 21 PHE H 1 24 GLN H 3.700 . 5.500 4.518 4.401 4.622 . 0 0 "[ . 1]" 1
136 1 21 PHE H 1 21 PHE QD 3.500 . 5.000 3.896 3.583 4.051 . 0 0 "[ . 1]" 1
137 1 21 PHE H 1 21 PHE HA 2.800 . 3.800 2.811 2.757 2.841 . 0 0 "[ . 1]" 1
138 1 18 GLU HA 1 21 PHE H 4.000 . 6.000 3.608 3.483 3.937 . 0 0 "[ . 1]" 1
139 1 21 PHE H 1 21 PHE HB3 2.300 . 3.000 2.135 2.005 2.215 . 0 0 "[ . 1]" 1
140 1 21 PHE H 1 21 PHE HB2 3.100 . 4.300 2.830 2.573 3.129 . 0 0 "[ . 1]" 1
141 1 18 GLU HG3 1 21 PHE H 4.000 . 6.000 5.791 5.523 6.669 0.669 8 1 "[ . + 1]" 1
142 1 20 LYS HB3 1 21 PHE H 3.700 . 5.400 3.706 2.846 3.943 . 0 0 "[ . 1]" 1
143 1 20 LYS HB2 1 21 PHE H 3.000 . 4.100 2.976 2.823 3.569 . 0 0 "[ . 1]" 1
144 1 16 THR MG 1 21 PHE H 3.900 . 5.800 2.920 2.525 3.461 . 0 0 "[ . 1]" 1
145 1 20 LYS QG 1 21 PHE H 2.900 . 6.000 4.165 3.894 4.642 . 0 0 "[ . 1]" 1
146 1 21 PHE H 1 22 GLN H 2.900 . 4.000 2.578 2.510 2.745 . 0 0 "[ . 1]" 1
147 1 21 PHE QD 1 22 GLN H 3.300 . 4.700 3.186 2.874 3.377 . 0 0 "[ . 1]" 1
148 1 21 PHE QE 1 22 GLN H 4.300 . 6.000 5.112 4.605 5.431 . 0 0 "[ . 1]" 1
149 1 21 PHE HA 1 22 GLN H 3.700 . 5.400 3.506 3.479 3.526 . 0 0 "[ . 1]" 1
150 1 21 PHE HB2 1 22 GLN H 3.900 . 5.800 4.123 4.003 4.230 . 0 0 "[ . 1]" 1
151 1 17 GLU QG 1 22 GLN H 3.200 . 6.000 5.706 5.489 5.844 . 0 0 "[ . 1]" 1
152 1 17 GLU QB 1 22 GLN H 3.100 . 6.000 5.979 5.880 6.055 0.055 3 0 "[ . 1]" 1
153 1 22 GLN H 1 22 GLN HG3 2.800 . 3.800 2.686 2.080 3.681 . 0 0 "[ . 1]" 1
154 1 22 GLN H 1 22 GLN HB3 3.100 . 4.300 3.615 3.553 3.647 . 0 0 "[ . 1]" 1
155 1 22 GLN H 1 22 GLN HB2 3.000 . 4.100 2.459 2.278 2.606 . 0 0 "[ . 1]" 1
156 1 22 GLN H 1 22 GLN HG2 3.200 . 4.500 3.353 2.189 3.978 . 0 0 "[ . 1]" 1
157 1 22 GLN H 1 23 GLU H 2.500 . 3.300 2.710 2.566 2.876 . 0 0 "[ . 1]" 1
158 1 23 GLU H 1 23 GLU HA 2.500 . 3.300 2.854 2.834 2.865 . 0 0 "[ . 1]" 1
159 1 22 GLN HA 1 23 GLU H 3.000 . 4.200 3.537 3.507 3.580 . 0 0 "[ . 1]" 1
160 1 23 GLU H 1 23 GLU QG 2.300 . 2.900 2.307 1.970 2.910 0.010 2 0 "[ . 1]" 1
161 1 23 GLU H 1 23 GLU QB 2.800 . 3.800 2.437 2.162 2.682 . 0 0 "[ . 1]" 1
162 1 22 GLN HB2 1 23 GLU H 2.800 . 3.800 2.679 2.469 2.905 . 0 0 "[ . 1]" 1
163 1 22 GLN HB3 1 23 GLU H 3.000 . 4.200 3.572 3.264 3.689 . 0 0 "[ . 1]" 1
164 1 24 GLN H 1 25 VAL H 2.400 . 3.100 2.716 2.597 2.858 . 0 0 "[ . 1]" 1
165 1 24 GLN H 1 24 GLN HG3 3.100 . 6.000 4.067 2.621 4.521 . 0 0 "[ . 1]" 1
166 1 20 LYS HB2 1 24 GLN H 2.900 . 6.000 5.518 5.187 5.916 . 0 0 "[ . 1]" 1
167 1 16 THR MG 1 24 GLN H 3.700 . 6.000 4.511 4.109 4.981 . 0 0 "[ . 1]" 1
168 1 21 PHE HA 1 24 GLN H 2.600 . 3.400 3.103 2.909 3.292 . 0 0 "[ . 1]" 1
169 1 25 VAL H 1 25 VAL HA 2.800 . 3.800 2.790 2.767 2.803 . 0 0 "[ . 1]" 1
170 1 24 GLN HB3 1 25 VAL H 3.100 . 4.300 3.000 2.522 3.691 . 0 0 "[ . 1]" 1
171 1 25 VAL H 1 28 GLU H 3.800 . 5.600 4.796 4.643 5.047 . 0 0 "[ . 1]" 1
172 1 21 PHE QD 1 25 VAL H 3.500 . 6.000 4.420 4.102 4.715 . 0 0 "[ . 1]" 1
173 1 22 GLN HA 1 25 VAL H 3.400 . 4.900 3.812 3.590 4.111 . 0 0 "[ . 1]" 1
174 1 24 GLN HG3 1 25 VAL H 3.700 . 5.400 4.376 3.784 5.184 . 0 0 "[ . 1]" 1
175 1 16 THR MG 1 25 VAL H 3.200 . 6.000 5.407 5.033 5.937 . 0 0 "[ . 1]" 1
176 1 25 VAL H 1 26 SER H 2.600 . 3.400 2.744 2.674 2.810 . 0 0 "[ . 1]" 1
177 1 24 GLN H 1 26 SER H 3.700 . 5.400 4.212 4.013 4.422 . 0 0 "[ . 1]" 1
178 1 26 SER H 1 27 LYS H 2.800 . 3.800 2.602 2.507 2.715 . 0 0 "[ . 1]" 1
179 1 26 SER H 1 50 TRP HZ2 4.500 . 6.000 4.559 3.677 5.450 . 0 0 "[ . 1]" 1
180 1 25 VAL HA 1 26 SER H 2.400 . 6.000 3.525 3.503 3.548 . 0 0 "[ . 1]" 1
181 1 26 SER H 1 26 SER HA 3.400 . 4.800 2.618 2.354 2.737 . 0 0 "[ . 1]" 1
182 1 22 GLN HA 1 26 SER H 4.000 . 6.000 4.678 4.407 5.139 . 0 0 "[ . 1]" 1
183 1 25 VAL HB 1 26 SER H 3.000 . 4.100 3.317 2.549 4.023 . 0 0 "[ . 1]" 1
184 1 26 SER H 1 29 LEU HB3 4.400 . 6.000 5.702 5.189 6.182 0.182 10 0 "[ . 1]" 1
185 1 25 VAL H 1 27 LYS H 3.800 . 5.600 4.157 3.907 4.391 . 0 0 "[ . 1]" 1
186 1 24 GLN H 1 27 LYS H 2.900 . 6.000 4.812 4.493 5.266 . 0 0 "[ . 1]" 1
187 1 24 GLN HG3 1 27 LYS H 3.500 . 6.000 5.631 4.666 6.847 0.847 10 2 "[ . - +]" 1
188 1 27 LYS H 1 27 LYS HB3 2.400 . 3.100 3.039 2.408 3.577 0.477 1 0 "[ . 1]" 1
189 1 27 LYS H 1 27 LYS QG 3.400 . 4.800 3.334 2.378 4.068 . 0 0 "[ . 1]" 1
190 1 28 GLU H 1 29 LEU H 2.500 . 3.300 2.478 2.334 2.585 . 0 0 "[ . 1]" 1
191 1 28 GLU H 1 28 GLU HA 2.700 . 3.600 2.888 2.856 2.919 . 0 0 "[ . 1]" 1
192 1 27 LYS HA 1 28 GLU H 3.000 . 4.100 3.533 3.506 3.563 . 0 0 "[ . 1]" 1
193 1 25 VAL HA 1 28 GLU H 3.400 . 4.800 3.557 3.246 3.871 . 0 0 "[ . 1]" 1
194 1 28 GLU H 1 28 GLU HG3 3.100 . 4.300 3.652 2.809 3.861 . 0 0 "[ . 1]" 1
195 1 28 GLU H 1 29 LEU HB3 3.800 . 5.600 4.915 4.247 5.465 . 0 0 "[ . 1]" 1
196 1 24 GLN HE21 1 28 GLU H 3.600 . 5.300 4.046 3.143 5.394 0.094 1 0 "[ . 1]" 1
197 1 29 LEU H 1 30 ILE H 3.000 . 4.200 2.505 2.171 2.672 . 0 0 "[ . 1]" 1
198 1 26 SER HA 1 29 LEU H 3.500 . 5.000 4.037 3.660 4.414 . 0 0 "[ . 1]" 1
199 1 28 GLU HB3 1 29 LEU H 4.100 . 6.000 3.672 3.475 4.035 . 0 0 "[ . 1]" 1
200 1 28 GLU HB2 1 29 LEU H 2.700 . 3.600 2.722 2.467 3.293 . 0 0 "[ . 1]" 1
201 1 29 LEU H 1 29 LEU HB3 3.200 . 4.500 2.997 2.517 3.368 . 0 0 "[ . 1]" 1
202 1 29 LEU H 1 29 LEU HB2 2.800 . 3.800 2.363 2.241 2.580 . 0 0 "[ . 1]" 1
203 1 30 ILE H 1 30 ILE HB 2.900 . 4.000 2.482 2.373 2.539 . 0 0 "[ . 1]" 1
204 1 30 ILE H 1 31 GLY H 4.100 . 6.000 4.333 4.213 4.542 . 0 0 "[ . 1]" 1
205 1 26 SER HA 1 30 ILE H 3.800 . 5.600 3.644 3.337 3.941 . 0 0 "[ . 1]" 1
206 1 30 ILE HA 1 31 GLY H 2.900 . 3.900 2.130 2.101 2.149 . 0 0 "[ . 1]" 1
207 1 31 GLY H 1 31 GLY HA3 3.000 . 4.100 2.498 2.405 2.622 . 0 0 "[ . 1]" 1
208 1 31 GLY H 1 45 VAL HB 3.100 . 4.300 2.855 2.178 3.391 . 0 0 "[ . 1]" 1
209 1 31 GLY H 1 32 LEU HB2 4.500 . 6.000 4.727 4.120 5.999 . 0 0 "[ . 1]" 1
210 1 31 GLY H 1 32 LEU H 3.200 . 4.500 2.374 1.848 2.752 0.052 3 0 "[ . 1]" 1
211 1 30 ILE HA 1 32 LEU H 4.200 . 6.000 3.648 3.342 4.179 . 0 0 "[ . 1]" 1
212 1 31 GLY HA3 1 32 LEU H 3.600 . 5.300 3.426 3.169 3.550 . 0 0 "[ . 1]" 1
213 1 32 LEU H 1 45 VAL HB 4.000 . 6.000 3.641 3.108 5.160 . 0 0 "[ . 1]" 1
214 1 32 LEU H 1 32 LEU HB3 2.900 . 4.000 2.544 1.838 3.285 . 0 0 "[ . 1]" 1
215 1 32 LEU H 1 32 LEU HB2 3.000 . 4.100 2.643 2.203 3.668 . 0 0 "[ . 1]" 1
216 1 32 LEU HA 1 33 ILE H 3.000 . 4.100 2.295 2.190 2.359 . 0 0 "[ . 1]" 1
217 1 32 LEU HB2 1 33 ILE H 3.700 . 5.400 3.682 2.400 4.259 . 0 0 "[ . 1]" 1
218 1 32 LEU QD 1 33 ILE H 3.500 . 5.000 3.208 2.584 3.529 . 0 0 "[ . 1]" 1
219 1 36 THR H 1 42 THR MG 4.200 . 6.000 5.359 4.698 5.670 . 0 0 "[ . 1]" 1
220 1 36 THR H 1 42 THR HA 4.100 . 6.000 3.468 2.980 3.771 . 0 0 "[ . 1]" 1
221 1 36 THR H 1 42 THR HB 4.800 . 6.000 5.430 4.653 6.100 0.100 1 0 "[ . 1]" 1
222 1 35 LEU QD 1 36 THR H 3.500 . 5.000 3.288 2.927 3.958 . 0 0 "[ . 1]" 1
223 1 35 LEU HA 1 36 THR H 2.900 . 3.900 2.365 2.191 2.470 . 0 0 "[ . 1]" 1
224 1 39 ASN H 1 40 ASN H 2.500 . 3.300 2.097 1.728 2.475 . 0 0 "[ . 1]" 1
225 1 39 ASN H 1 41 LYS H 3.400 . 4.800 3.322 2.800 4.049 . 0 0 "[ . 1]" 1
226 1 38 TYR HA 1 39 ASN H 3.700 . 5.400 3.497 3.372 3.579 . 0 0 "[ . 1]" 1
227 1 39 ASN H 1 40 ASN HA 4.600 . 6.000 4.096 3.588 4.469 . 0 0 "[ . 1]" 1
228 1 36 THR HB 1 39 ASN H 3.700 . 5.400 3.907 2.859 4.805 . 0 0 "[ . 1]" 1
229 1 35 LEU QD 1 39 ASN H 4.300 . 6.000 5.379 4.918 5.978 . 0 0 "[ . 1]" 1
230 1 38 TYR H 1 39 ASN H 3.000 . 4.200 2.743 2.451 3.214 . 0 0 "[ . 1]" 1
231 1 40 ASN H 1 41 LYS H 3.400 . 4.800 2.793 2.526 3.075 . 0 0 "[ . 1]" 1
232 1 41 LYS H 1 41 LYS QB 4.100 . 6.000 2.230 2.040 2.712 . 0 0 "[ . 1]" 1
233 1 41 LYS H 1 41 LYS QB 3.200 . 4.500 2.127 1.964 2.209 . 0 0 "[ . 1]" 1
234 1 35 LEU QD 1 41 LYS H 3.300 . 6.000 4.317 3.955 4.655 . 0 0 "[ . 1]" 1
235 1 36 THR H 1 41 LYS H 3.800 . 5.600 3.380 3.093 3.654 . 0 0 "[ . 1]" 1
236 1 40 ASN HA 1 41 LYS H 3.400 . 4.900 2.887 2.660 3.058 . 0 0 "[ . 1]" 1
237 1 119 THR HB 1 120 ASP H 3.400 . 4.900 3.809 3.213 4.295 . 0 0 "[ . 1]" 1
238 1 120 ASP H 1 120 ASP HB3 3.300 . 4.700 3.020 2.475 3.650 . 0 0 "[ . 1]" 1
239 1 119 THR MG 1 120 ASP H 4.000 . 6.000 3.939 2.524 4.366 . 0 0 "[ . 1]" 1
240 1 45 VAL HA 1 46 ASP H 3.100 . 4.300 2.152 2.127 2.179 . 0 0 "[ . 1]" 1
241 1 46 ASP H 1 47 ASP H 3.100 . 4.300 2.246 2.039 2.494 . 0 0 "[ . 1]" 1
242 1 46 ASP HB2 1 47 ASP H 3.800 . 5.600 2.651 2.414 3.002 . 0 0 "[ . 1]" 1
243 1 47 ASP HA 1 48 ILE H 3.100 . 4.300 2.385 2.221 2.497 . 0 0 "[ . 1]" 1
244 1 47 ASP HB3 1 48 ILE H 3.900 . 5.800 3.250 2.573 3.764 . 0 0 "[ . 1]" 1
245 1 48 ILE H 1 48 ILE HB 3.300 . 4.700 2.735 2.620 2.794 . 0 0 "[ . 1]" 1
246 1 30 ILE MD 1 48 ILE H 3.900 . 5.800 3.357 2.481 4.097 . 0 0 "[ . 1]" 1
247 1 102 LEU H 1 102 LEU QD 3.500 . 5.100 2.736 1.822 3.733 0.078 8 0 "[ . 1]" 1
248 1 101 THR MG 1 102 LEU H 3.600 . 5.200 3.490 2.740 4.171 . 0 0 "[ . 1]" 1
249 1 102 LEU H 1 102 LEU HB3 3.000 . 4.100 2.910 2.301 3.840 . 0 0 "[ . 1]" 1
250 1 102 LEU H 1 103 PRO HD2 4.100 . 6.000 4.001 2.170 5.192 . 0 0 "[ . 1]" 1
251 1 102 LEU H 1 103 PRO HD3 3.800 . 5.600 3.628 2.505 4.694 . 0 0 "[ . 1]" 1
252 1 101 THR HB 1 102 LEU H 2.900 . 4.000 3.689 2.195 4.055 0.055 6 0 "[ . 1]" 1
253 1 101 THR HA 1 102 LEU H 2.300 . 3.000 2.412 2.179 2.694 . 0 0 "[ . 1]" 1
254 1 102 LEU H 1 102 LEU HA 2.700 . 3.600 2.739 2.256 2.941 . 0 0 "[ . 1]" 1
255 1 50 TRP H 1 51 ASP H 3.600 . 5.200 4.497 4.419 4.557 . 0 0 "[ . 1]" 1
256 1 50 TRP H 1 50 TRP HD1 3.200 . 4.500 2.596 2.252 3.094 . 0 0 "[ . 1]" 1
257 1 49 ASP HA 1 50 TRP H 2.700 . 3.600 2.263 2.156 2.412 . 0 0 "[ . 1]" 1
258 1 50 TRP H 1 50 TRP HB2 3.000 . 4.100 2.516 2.447 2.594 . 0 0 "[ . 1]" 1
259 1 51 ASP H 1 51 ASP HA 2.800 . 3.800 2.262 2.240 2.278 . 0 0 "[ . 1]" 1
260 1 50 TRP HA 1 51 ASP H 3.200 . 4.500 2.225 2.141 2.337 . 0 0 "[ . 1]" 1
261 1 52 GLN H 1 53 ASN H 4.100 . 6.000 4.574 4.477 4.626 . 0 0 "[ . 1]" 1
262 1 52 GLN HA 1 53 ASN H 2.800 . 3.800 2.396 2.215 2.596 . 0 0 "[ . 1]" 1
263 1 52 GLN HB3 1 53 ASN H 3.300 . 4.700 2.092 1.683 2.609 0.217 4 0 "[ . 1]" 1
264 1 52 GLN HB2 1 53 ASN H 4.300 . 6.000 3.949 3.840 4.081 . 0 0 "[ . 1]" 1
265 1 53 ASN H 1 53 ASN HB3 3.600 . 5.200 3.503 3.149 3.905 . 0 0 "[ . 1]" 1
266 1 54 PRO HA 1 55 LYS H 2.500 . 3.300 3.381 3.360 3.401 0.101 7 0 "[ . 1]" 1
267 1 53 ASN HB2 1 55 LYS H 3.800 . 5.600 2.980 2.593 3.478 . 0 0 "[ . 1]" 1
268 1 53 ASN HB3 1 55 LYS H 3.300 . 4.700 3.734 2.535 4.642 . 0 0 "[ . 1]" 1
269 1 52 GLN QG 1 55 LYS H 2.100 . 6.000 5.287 5.033 5.555 . 0 0 "[ . 1]" 1
270 1 54 PRO HB3 1 55 LYS H 3.300 . 4.600 4.412 4.363 4.486 . 0 0 "[ . 1]" 1
271 1 54 PRO HB2 1 55 LYS H 2.800 . 3.800 3.401 3.245 3.588 . 0 0 "[ . 1]" 1
272 1 55 LYS H 1 56 SER H 2.400 . 3.100 2.612 2.491 2.696 . 0 0 "[ . 1]" 1
273 1 56 SER H 1 56 SER HA 2.500 . 3.300 2.553 2.383 2.749 . 0 0 "[ . 1]" 1
274 1 56 SER H 1 68 PHE QE 3.400 . 6.000 4.416 3.374 5.226 . 0 0 "[ . 1]" 1
275 1 56 SER H 1 68 PHE QD 3.500 . 6.000 3.551 2.936 3.868 . 0 0 "[ . 1]" 1
276 1 60 LYS H 1 62 ASP H 3.700 . 5.400 4.484 3.027 5.470 0.070 10 0 "[ . 1]" 1
277 1 62 ASP H 1 63 GLY HA2 3.800 . 5.600 4.774 3.888 5.315 . 0 0 "[ . 1]" 1
278 1 61 ALA HA 1 62 ASP H 3.300 . 4.600 3.379 3.071 3.546 . 0 0 "[ . 1]" 1
279 1 62 ASP H 1 63 GLY HA3 4.400 . 6.000 5.020 4.427 5.792 . 0 0 "[ . 1]" 1
280 1 62 ASP H 1 62 ASP HB3 3.700 . 5.400 3.177 2.549 4.020 . 0 0 "[ . 1]" 1
281 1 62 ASP H 1 62 ASP HB2 2.900 . 4.000 3.301 2.868 3.723 . 0 0 "[ . 1]" 1
282 1 61 ALA MB 1 62 ASP H 3.000 . 4.100 2.698 1.827 3.483 0.073 6 0 "[ . 1]" 1
283 1 60 LYS H 1 64 SER H 2.800 . 6.000 4.847 3.287 6.016 0.016 5 0 "[ . 1]" 1
284 1 62 ASP H 1 64 SER H 4.000 . 6.000 4.009 3.187 5.722 . 0 0 "[ . 1]" 1
285 1 64 SER H 1 65 GLU HA 2.700 . 6.000 4.978 4.612 5.418 . 0 0 "[ . 1]" 1
286 1 64 SER H 1 64 SER HB3 2.400 . 3.100 3.007 2.596 3.835 0.735 3 3 "[ + * - 1]" 1
287 1 63 GLY HA3 1 64 SER H 3.000 . 4.100 3.422 3.035 3.576 . 0 0 "[ . 1]" 1
288 1 64 SER H 1 65 GLU QG 4.100 . 6.000 4.814 3.990 5.652 . 0 0 "[ . 1]" 1
289 1 61 ALA MB 1 64 SER H 2.800 . 6.000 4.410 2.842 5.968 . 0 0 "[ . 1]" 1
290 1 62 ASP H 1 63 GLY H 2.800 . 3.800 2.695 1.807 3.437 . 0 0 "[ . 1]" 1
291 1 60 LYS H 1 63 GLY H 3.600 . 5.300 4.786 3.622 5.375 0.075 10 0 "[ . 1]" 1
292 1 63 GLY H 1 65 GLU HA 3.500 . 6.000 5.646 4.846 6.128 0.128 6 0 "[ . 1]" 1
293 1 61 ALA HA 1 63 GLY H 3.800 . 5.600 5.093 3.647 5.717 0.117 5 0 "[ . 1]" 1
294 1 63 GLY H 1 64 SER HB3 4.600 . 6.000 4.988 4.158 6.174 0.174 5 0 "[ . 1]" 1
295 1 63 GLY H 1 63 GLY HA3 2.500 . 3.300 2.734 2.428 2.957 . 0 0 "[ . 1]" 1
296 1 63 GLY H 1 65 GLU QG 3.900 . 5.800 4.865 3.572 5.833 0.033 3 0 "[ . 1]" 1
297 1 61 ALA MB 1 63 GLY H 3.700 . 5.400 4.054 2.928 4.551 . 0 0 "[ . 1]" 1
298 1 62 ASP HB2 1 63 GLY H 4.000 . 6.000 4.362 3.622 4.620 . 0 0 "[ . 1]" 1
299 1 65 GLU H 1 66 VAL H 3.100 . 4.300 4.192 3.876 4.417 0.117 9 0 "[ . 1]" 1
300 1 58 PHE H 1 66 VAL H 3.300 . 4.600 3.090 2.511 3.871 . 0 0 "[ . 1]" 1
301 1 65 GLU HA 1 66 VAL H 2.300 . 3.000 2.123 2.064 2.195 . 0 0 "[ . 1]" 1
302 1 66 VAL H 1 66 VAL HA 2.900 . 4.000 2.936 2.923 2.946 . 0 0 "[ . 1]" 1
303 1 57 THR HB 1 66 VAL H 3.300 . 4.600 3.269 2.480 3.767 . 0 0 "[ . 1]" 1
304 1 65 GLU QG 1 66 VAL H 4.500 . 6.000 4.174 3.980 4.485 . 0 0 "[ . 1]" 1
305 1 57 THR MG 1 66 VAL H 3.900 . 5.800 3.632 2.405 4.409 . 0 0 "[ . 1]" 1
306 1 65 GLU H 1 65 GLU HA 2.600 . 3.500 2.925 2.865 2.944 . 0 0 "[ . 1]" 1
307 1 64 SER HA 1 65 GLU H 2.400 . 3.100 2.188 2.116 2.349 . 0 0 "[ . 1]" 1
308 1 64 SER HB3 1 65 GLU H 2.900 . 6.000 3.853 3.299 4.277 . 0 0 "[ . 1]" 1
309 1 65 GLU H 1 65 GLU QG 3.100 . 4.300 3.149 2.597 3.714 . 0 0 "[ . 1]" 1
310 1 65 GLU H 1 65 GLU HB3 4.100 . 6.000 3.708 3.620 3.819 . 0 0 "[ . 1]" 1
311 1 66 VAL HA 1 67 SER H 2.000 . 2.500 2.197 2.174 2.235 . 0 0 "[ . 1]" 1
312 1 65 GLU HA 1 67 SER H 2.900 . 6.000 6.018 5.841 6.153 0.153 9 0 "[ . 1]" 1
313 1 67 SER H 1 67 SER HB2 3.300 . 4.700 3.225 2.516 3.637 . 0 0 "[ . 1]" 1
314 1 67 SER H 1 70 GLU HB2 3.200 . 4.500 3.126 2.273 4.324 . 0 0 "[ . 1]" 1
315 1 66 VAL HB 1 67 SER H 3.300 . 4.700 3.842 2.968 4.123 . 0 0 "[ . 1]" 1
316 1 57 THR MG 1 67 SER H 3.200 . 6.000 3.606 3.350 4.018 . 0 0 "[ . 1]" 1
317 1 57 THR MG 1 68 PHE H 2.900 . 6.000 4.910 4.229 5.378 . 0 0 "[ . 1]" 1
318 1 68 PHE H 1 69 LEU HB3 4.900 . 6.000 5.095 4.999 5.225 . 0 0 "[ . 1]" 1
319 1 68 PHE H 1 68 PHE HB2 3.200 . 4.500 2.259 2.061 2.464 . 0 0 "[ . 1]" 1
320 1 67 SER HB2 1 68 PHE H 3.500 . 5.000 2.836 2.193 3.850 . 0 0 "[ . 1]" 1
321 1 67 SER HB3 1 68 PHE H 3.500 . 5.000 3.434 2.363 3.807 . 0 0 "[ . 1]" 1
322 1 68 PHE H 1 68 PHE HA 2.900 . 4.000 2.777 2.762 2.807 . 0 0 "[ . 1]" 1
323 1 67 SER HA 1 68 PHE H 2.800 . 3.800 2.452 2.345 2.548 . 0 0 "[ . 1]" 1
324 1 58 PHE QE 1 68 PHE H 3.700 . 6.000 3.595 2.817 4.598 . 0 0 "[ . 1]" 1
325 1 68 PHE H 1 68 PHE QD 3.300 . 4.700 2.785 2.435 3.206 . 0 0 "[ . 1]" 1
326 1 56 SER H 1 68 PHE H 3.900 . 5.800 4.539 4.011 4.928 . 0 0 "[ . 1]" 1
327 1 68 PHE H 1 68 PHE HB3 4.600 . 6.000 3.510 3.333 3.599 . 0 0 "[ . 1]" 1
328 1 69 LEU H 1 70 GLU H 3.100 . 4.300 2.686 2.493 2.840 . 0 0 "[ . 1]" 1
329 1 68 PHE HA 1 69 LEU H 3.500 . 5.000 3.525 3.481 3.561 . 0 0 "[ . 1]" 1
330 1 67 SER HB3 1 69 LEU H 3.900 . 5.800 4.054 2.959 4.819 . 0 0 "[ . 1]" 1
331 1 69 LEU H 1 69 LEU HB3 3.500 . 5.000 2.553 2.461 2.677 . 0 0 "[ . 1]" 1
332 1 69 LEU H 1 69 LEU HB2 2.800 . 3.800 2.432 2.266 2.543 . 0 0 "[ . 1]" 1
333 1 69 LEU H 1 69 LEU QD 4.000 . 6.000 3.682 3.590 3.725 . 0 0 "[ . 1]" 1
334 1 70 GLU H 1 71 TYR H 2.800 . 3.800 2.603 2.435 2.814 . 0 0 "[ . 1]" 1
335 1 70 GLU H 1 70 GLU QG 3.300 . 4.600 3.351 2.136 4.054 . 0 0 "[ . 1]" 1
336 1 69 LEU HB3 1 70 GLU H 2.600 . 3.400 2.490 2.360 2.729 . 0 0 "[ . 1]" 1
337 1 69 LEU HB2 1 70 GLU H 3.200 . 4.500 3.416 3.327 3.606 . 0 0 "[ . 1]" 1
338 1 69 LEU QD 1 70 GLU H 2.800 . 6.000 3.774 3.196 3.999 . 0 0 "[ . 1]" 1
339 1 67 SER HB2 1 70 GLU H 3.600 . 5.200 3.792 2.853 4.789 . 0 0 "[ . 1]" 1
340 1 68 PHE HA 1 70 GLU H 3.900 . 5.800 4.647 4.465 4.767 . 0 0 "[ . 1]" 1
341 1 70 GLU H 1 70 GLU HB2 2.400 . 3.100 2.430 2.231 2.528 . 0 0 "[ . 1]" 1
342 1 69 LEU H 1 71 TYR H 3.500 . 5.000 4.046 3.845 4.367 . 0 0 "[ . 1]" 1
343 1 58 PHE HZ 1 71 TYR H 4.500 . 6.000 5.137 4.486 6.014 0.014 2 0 "[ . 1]" 1
344 1 68 PHE HA 1 71 TYR H 3.500 . 5.000 3.699 3.402 4.026 . 0 0 "[ . 1]" 1
345 1 71 TYR H 1 71 TYR HA 3.000 . 4.100 2.819 2.788 2.855 . 0 0 "[ . 1]" 1
346 1 71 TYR H 1 71 TYR HB3 3.000 . 4.100 2.557 2.363 2.835 . 0 0 "[ . 1]" 1
347 1 71 TYR H 1 71 TYR HB2 3.000 . 4.100 2.544 2.181 2.695 . 0 0 "[ . 1]" 1
348 1 70 GLU HB2 1 71 TYR H 3.500 . 5.000 3.424 2.598 3.987 . 0 0 "[ . 1]" 1
349 1 72 TYR H 1 72 TYR HB3 3.400 . 4.800 2.777 2.463 3.195 . 0 0 "[ . 1]" 1
350 1 73 ARG H 1 74 LYS H 2.500 . 3.300 2.757 2.687 2.825 . 0 0 "[ . 1]" 1
351 1 72 TYR H 1 73 ARG H 2.800 . 3.800 2.570 2.484 2.779 . 0 0 "[ . 1]" 1
352 1 72 TYR QD 1 73 ARG H 3.700 . 5.400 4.001 3.059 4.469 . 0 0 "[ . 1]" 1
353 1 72 TYR HA 1 73 ARG H 3.500 . 5.100 3.513 3.468 3.550 . 0 0 "[ . 1]" 1
354 1 73 ARG H 1 73 ARG HD3 3.800 . 5.600 4.647 4.442 4.928 . 0 0 "[ . 1]" 1
355 1 72 TYR HB3 1 73 ARG H 2.900 . 3.900 3.083 2.611 3.914 0.014 3 0 "[ . 1]" 1
356 1 73 ARG H 1 73 ARG HB2 2.400 . 3.100 2.469 2.336 2.638 . 0 0 "[ . 1]" 1
357 1 73 ARG H 1 73 ARG HG3 3.800 . 5.600 4.458 4.336 4.535 . 0 0 "[ . 1]" 1
358 1 73 ARG H 1 73 ARG HG2 4.100 . 6.000 4.557 4.333 4.625 . 0 0 "[ . 1]" 1
359 1 69 LEU MD2 1 73 ARG H 3.100 . 6.000 5.710 3.964 6.069 0.069 3 0 "[ . 1]" 1
360 1 74 LYS H 1 75 GLN H 2.700 . 3.600 2.646 2.555 2.749 . 0 0 "[ . 1]" 1
361 1 75 GLN H 1 76 TYR QD 4.500 . 6.000 5.123 4.743 5.392 . 0 0 "[ . 1]" 1
362 1 75 GLN H 1 76 TYR H 2.900 . 4.000 2.277 2.200 2.335 . 0 0 "[ . 1]" 1
363 1 71 TYR HA 1 75 GLN H 3.000 . 6.000 5.362 5.088 5.614 . 0 0 "[ . 1]" 1
364 1 74 LYS HA 1 75 GLN H 3.400 . 4.800 3.483 3.423 3.547 . 0 0 "[ . 1]" 1
365 1 75 GLN H 1 75 GLN HA 3.000 . 4.200 2.919 2.916 2.924 . 0 0 "[ . 1]" 1
366 1 74 LYS HB3 1 75 GLN H 2.900 . 3.900 3.704 2.757 4.050 0.150 1 0 "[ . 1]" 1
367 1 75 GLN H 1 75 GLN HG3 3.500 . 5.100 3.588 2.402 4.443 . 0 0 "[ . 1]" 1
368 1 75 GLN H 1 75 GLN HB3 3.400 . 4.900 3.355 2.486 3.678 . 0 0 "[ . 1]" 1
369 1 75 GLN H 1 75 GLN HG2 3.700 . 5.500 3.152 1.954 4.745 . 0 0 "[ . 1]" 1
370 1 75 GLN H 1 75 GLN HB2 2.900 . 4.000 2.670 2.416 3.654 . 0 0 "[ . 1]" 1
371 1 76 TYR H 1 77 ASN HA 3.700 . 5.400 4.687 4.546 4.797 . 0 0 "[ . 1]" 1
372 1 76 TYR H 1 76 TYR HB2 3.200 . 4.500 2.924 2.747 3.891 . 0 0 "[ . 1]" 1
373 1 75 GLN HB3 1 76 TYR H 3.500 . 5.000 3.310 2.376 4.016 . 0 0 "[ . 1]" 1
374 1 76 TYR H 1 76 TYR QD 3.900 . 5.800 3.583 3.198 3.787 . 0 0 "[ . 1]" 1
375 1 73 ARG HA 1 76 TYR H 3.400 . 4.800 3.562 3.264 3.936 . 0 0 "[ . 1]" 1
376 1 77 ASN H 1 78 GLN H 2.600 . 3.500 2.815 2.638 3.055 . 0 0 "[ . 1]" 1
377 1 75 GLN H 1 77 ASN H 2.800 . 6.000 6.181 6.141 6.274 0.274 9 0 "[ . 1]" 1
378 1 76 TYR H 1 77 ASN H 3.000 . 4.200 4.273 4.239 4.293 0.093 10 0 "[ . 1]" 1
379 1 76 TYR HA 1 77 ASN H 3.100 . 4.300 2.238 2.191 2.371 . 0 0 "[ . 1]" 1
380 1 73 ARG HA 1 77 ASN H 3.300 . 6.000 4.796 4.625 4.973 . 0 0 "[ . 1]" 1
381 1 76 TYR HB3 1 77 ASN H 3.400 . 4.800 2.825 2.223 3.710 . 0 0 "[ . 1]" 1
382 1 77 ASN H 1 77 ASN HB3 3.400 . 4.800 3.212 2.508 3.634 . 0 0 "[ . 1]" 1
383 1 77 ASN H 1 77 ASN HB2 2.900 . 3.900 2.686 2.282 3.645 . 0 0 "[ . 1]" 1
384 1 76 TYR HB2 1 77 ASN H 4.500 . 6.000 3.768 2.776 4.018 . 0 0 "[ . 1]" 1
385 1 77 ASN H 1 78 GLN HB2 4.500 . 6.000 5.175 4.705 6.194 0.194 7 0 "[ . 1]" 1
386 1 76 TYR H 1 78 GLN H 3.500 . 5.000 4.270 4.096 4.432 . 0 0 "[ . 1]" 1
387 1 77 ASN HA 1 78 GLN H 2.700 . 3.600 3.095 3.071 3.134 . 0 0 "[ . 1]" 1
388 1 78 GLN H 1 78 GLN HA 3.000 . 4.100 2.847 2.825 2.880 . 0 0 "[ . 1]" 1
389 1 73 ARG HA 1 78 GLN H 2.600 . 6.000 4.390 3.734 5.197 . 0 0 "[ . 1]" 1
390 1 76 TYR HB3 1 78 GLN H 3.200 . 4.500 2.719 2.233 4.270 . 0 0 "[ . 1]" 1
391 1 77 ASN HB3 1 78 GLN H 3.500 . 5.000 4.302 3.826 4.532 . 0 0 "[ . 1]" 1
392 1 77 ASN HB2 1 78 GLN H 4.000 . 6.000 4.114 3.861 4.465 . 0 0 "[ . 1]" 1
393 1 78 GLN H 1 78 GLN HG3 3.300 . 4.600 3.470 2.273 4.161 . 0 0 "[ . 1]" 1
394 1 78 GLN H 1 78 GLN HG2 2.900 . 3.900 2.910 2.001 4.414 0.514 9 1 "[ . +1]" 1
395 1 78 GLN H 1 78 GLN HB2 2.700 . 3.600 2.589 2.289 3.601 0.001 7 0 "[ . 1]" 1
396 1 78 GLN H 1 78 GLN HB3 3.400 . 4.800 3.356 2.200 3.619 . 0 0 "[ . 1]" 1
397 1 78 GLN H 1 79 GLU H 3.800 . 5.600 4.564 4.508 4.618 . 0 0 "[ . 1]" 1
398 1 77 ASN HA 1 79 GLU H 2.800 . 6.000 5.955 5.825 6.060 0.060 7 0 "[ . 1]" 1
399 1 78 GLN HA 1 79 GLU H 2.300 . 3.000 2.184 2.132 2.233 . 0 0 "[ . 1]" 1
400 1 78 GLN HB2 1 79 GLU H 3.000 . 4.100 3.989 2.984 4.226 0.126 5 0 "[ . 1]" 1
401 1 79 GLU H 1 79 GLU QB 3.100 . 4.300 2.284 2.228 2.365 . 0 0 "[ . 1]" 1
402 1 79 GLU H 1 80 ILE H 4.000 . 6.000 4.424 4.334 4.579 . 0 0 "[ . 1]" 1
403 1 79 GLU HA 1 80 ILE H 2.200 . 2.800 2.172 2.141 2.202 . 0 0 "[ . 1]" 1
404 1 69 LEU HA 1 80 ILE H 3.900 . 5.800 4.473 4.083 5.373 . 0 0 "[ . 1]" 1
405 1 80 ILE H 1 80 ILE HA 2.900 . 4.000 2.884 2.844 2.935 . 0 0 "[ . 1]" 1
406 1 72 TYR HB3 1 80 ILE H 3.900 . 5.800 4.890 4.155 5.851 0.051 7 0 "[ . 1]" 1
407 1 79 GLU QG 1 80 ILE H 2.800 . 3.800 3.028 2.563 3.400 . 0 0 "[ . 1]" 1
408 1 79 GLU QB 1 80 ILE H 3.100 . 4.300 3.805 3.594 3.922 . 0 0 "[ . 1]" 1
409 1 80 ILE H 1 81 THR MG 3.800 . 6.000 5.225 5.017 5.467 . 0 0 "[ . 1]" 1
410 1 80 ILE H 1 80 ILE MD 3.600 . 5.200 3.794 3.680 4.136 . 0 0 "[ . 1]" 1
411 1 81 THR H 1 82 ASP H 2.900 . 3.900 3.236 2.302 3.957 0.057 5 0 "[ . 1]" 1
412 1 80 ILE H 1 81 THR H 4.300 . 6.000 4.541 4.472 4.616 . 0 0 "[ . 1]" 1
413 1 81 THR H 1 82 ASP HA 3.200 . 6.000 4.597 4.112 5.118 . 0 0 "[ . 1]" 1
414 1 81 THR H 1 81 THR HA 2.900 . 4.000 2.930 2.902 2.950 . 0 0 "[ . 1]" 1
415 1 81 THR H 1 81 THR HB 3.800 . 5.600 3.314 3.091 3.541 . 0 0 "[ . 1]" 1
416 1 80 ILE HA 1 81 THR H 2.500 . 3.300 2.207 2.097 2.308 . 0 0 "[ . 1]" 1
417 1 81 THR H 1 82 ASP HB3 3.900 . 5.800 5.043 4.184 5.729 . 0 0 "[ . 1]" 1
418 1 81 THR H 1 81 THR MG 2.800 . 3.800 2.132 1.896 2.420 . 0 0 "[ . 1]" 1
419 1 80 ILE MD 1 81 THR H 4.400 . 6.000 4.685 4.463 5.037 . 0 0 "[ . 1]" 1
420 1 82 ASP H 1 82 ASP HA 3.000 . 4.100 2.905 2.871 2.931 . 0 0 "[ . 1]" 1
421 1 81 THR HA 1 82 ASP H 3.200 . 4.500 2.478 2.193 2.838 . 0 0 "[ . 1]" 1
422 1 81 THR HB 1 82 ASP H 4.800 . 6.000 4.532 4.352 4.653 . 0 0 "[ . 1]" 1
423 1 80 ILE HA 1 82 ASP H 3.900 . 5.800 4.726 4.184 5.483 . 0 0 "[ . 1]" 1
424 1 82 ASP H 1 82 ASP HB3 3.000 . 4.100 2.800 2.380 3.780 . 0 0 "[ . 1]" 1
425 1 82 ASP H 1 82 ASP HB2 2.800 . 3.800 3.037 2.643 3.651 . 0 0 "[ . 1]" 1
426 1 80 ILE HB 1 82 ASP H 3.700 . 5.400 3.861 3.257 4.645 . 0 0 "[ . 1]" 1
427 1 81 THR MG 1 82 ASP H 4.200 . 6.000 4.111 3.747 4.392 . 0 0 "[ . 1]" 1
428 1 80 ILE MD 1 82 ASP H 3.100 . 6.000 4.064 3.337 4.704 . 0 0 "[ . 1]" 1
429 1 83 LEU H 1 84 LYS H 2.800 . 3.800 3.525 2.847 4.172 0.372 7 0 "[ . 1]" 1
430 1 82 ASP H 1 83 LEU H 3.400 . 4.800 3.347 2.435 4.420 . 0 0 "[ . 1]" 1
431 1 83 LEU H 1 85 GLN H 3.700 . 5.400 3.783 2.730 4.440 . 0 0 "[ . 1]" 1
432 1 82 ASP HA 1 83 LEU H 2.500 . 3.300 2.874 2.070 3.511 0.211 1 0 "[ . 1]" 1
433 1 83 LEU H 1 84 LYS HA 4.700 . 6.000 5.523 4.723 6.152 0.152 7 0 "[ . 1]" 1
434 1 83 LEU H 1 83 LEU HA 2.900 . 3.900 2.625 2.252 2.922 . 0 0 "[ . 1]" 1
435 1 82 ASP HB3 1 83 LEU H 3.800 . 5.600 3.623 1.919 4.639 0.081 4 0 "[ . 1]" 1
436 1 82 ASP HB2 1 83 LEU H 4.200 . 6.000 3.655 1.865 4.626 0.135 10 0 "[ . 1]" 1
437 1 83 LEU H 1 83 LEU HB2 2.700 . 3.600 2.878 2.327 3.481 . 0 0 "[ . 1]" 1
438 1 83 LEU H 1 83 LEU HG 3.900 . 5.800 3.945 3.306 4.659 . 0 0 "[ . 1]" 1
439 1 83 LEU H 1 83 LEU QD 3.200 . 4.000 2.452 1.794 3.668 0.006 7 0 "[ . 1]" 1
440 1 53 ASN HB3 1 83 LEU H 4.500 . 6.000 5.555 4.160 6.280 0.280 9 0 "[ . 1]" 1
441 1 83 LEU QD 1 84 LYS H 2.900 . 6.000 3.944 3.470 4.570 . 0 0 "[ . 1]" 1
442 1 84 LYS H 1 84 LYS QG 2.900 . 3.900 3.323 3.075 3.903 0.003 5 0 "[ . 1]" 1
443 1 52 GLN QG 1 84 LYS H 2.300 . 6.000 5.697 5.519 5.828 . 0 0 "[ . 1]" 1
444 1 84 LYS H 1 84 LYS QB 3.300 . 4.700 3.381 3.235 3.470 . 0 0 "[ . 1]" 1
445 1 53 ASN HB3 1 84 LYS H 4.100 . 6.000 3.353 2.193 4.948 . 0 0 "[ . 1]" 1
446 1 84 LYS H 1 84 LYS HE3 3.900 . 5.800 5.339 4.331 5.999 0.199 7 0 "[ . 1]" 1
447 1 83 LEU HA 1 84 LYS H 3.100 . 4.300 2.231 2.061 2.418 . 0 0 "[ . 1]" 1
448 1 84 LYS H 1 84 LYS HA 2.500 . 3.300 2.285 2.256 2.317 . 0 0 "[ . 1]" 1
449 1 84 LYS H 1 85 GLN H 2.400 . 3.100 2.390 2.262 2.521 . 0 0 "[ . 1]" 1
450 1 82 ASP H 1 84 LYS H 3.100 . 6.000 6.100 5.857 6.227 0.227 8 0 "[ . 1]" 1
451 1 51 ASP H 1 85 GLN H 3.700 . 5.400 4.722 4.037 5.144 . 0 0 "[ . 1]" 1
452 1 84 LYS HA 1 85 GLN H 3.200 . 4.500 2.877 2.614 3.189 . 0 0 "[ . 1]" 1
453 1 85 GLN H 1 86 PRO HD3 4.700 . 6.000 4.762 4.676 5.055 . 0 0 "[ . 1]" 1
454 1 51 ASP HB3 1 85 GLN H 3.300 . 6.000 6.043 5.303 6.300 0.300 10 0 "[ . 1]" 1
455 1 85 GLN H 1 85 GLN HB3 3.600 . 5.200 3.564 2.619 3.768 . 0 0 "[ . 1]" 1
456 1 83 LEU QD 1 85 GLN H 3.100 . 6.000 5.009 4.665 5.520 . 0 0 "[ . 1]" 1
457 1 89 VAL H 1 107 MET HB2 3.800 . 5.600 5.508 4.886 5.663 0.063 8 0 "[ . 1]" 1
458 1 88 LEU HB2 1 89 VAL H 4.500 . 6.000 4.258 4.151 4.420 . 0 0 "[ . 1]" 1
459 1 89 VAL HA 1 90 SER H 3.300 . 4.700 2.175 2.128 2.280 . 0 0 "[ . 1]" 1
460 1 89 VAL HB 1 90 SER H 3.900 . 5.800 4.073 3.821 4.252 . 0 0 "[ . 1]" 1
461 1 48 ILE HB 1 50 TRP HE1 3.700 . 5.400 3.117 2.474 3.417 . 0 0 "[ . 1]" 1
462 1 48 ILE MD 1 50 TRP HE1 3.300 . 4.700 3.981 3.741 4.399 . 0 0 "[ . 1]" 1
463 1 48 ILE HA 1 50 TRP HE1 3.300 . 6.000 5.581 5.250 5.853 . 0 0 "[ . 1]" 1
464 1 97 GLY H 1 97 GLY HA3 2.900 . 4.000 2.641 2.334 2.951 . 0 0 "[ . 1]" 1
465 1 97 GLY H 1 98 PRO HA 3.600 . 5.200 4.261 2.345 4.834 . 0 0 "[ . 1]" 1
466 1 93 LYS QB 1 97 GLY H 3.000 . 4.100 3.468 2.936 4.012 . 0 0 "[ . 1]" 1
467 1 96 ARG HG3 1 97 GLY H 3.200 . 4.500 4.558 3.998 5.098 0.598 9 2 "[ -. +1]" 1
468 1 99 GLY H 1 99 GLY HA3 2.800 . 3.800 2.535 2.308 2.883 . 0 0 "[ . 1]" 1
469 1 98 PRO HA 1 99 GLY H 3.500 . 5.000 3.274 2.128 3.576 . 0 0 "[ . 1]" 1
470 1 98 PRO HB3 1 99 GLY H 4.300 . 6.000 3.927 2.576 4.494 . 0 0 "[ . 1]" 1
471 1 98 PRO HB2 1 99 GLY H 3.500 . 5.000 2.961 1.911 3.898 0.089 7 0 "[ . 1]" 1
472 1 97 GLY HA2 1 99 GLY H 3.900 . 5.800 4.190 3.117 6.031 0.231 7 0 "[ . 1]" 1
473 1 118 LEU H 1 118 LEU QD 3.100 . 4.300 2.688 1.810 3.789 0.090 6 0 "[ . 1]" 1
474 1 116 THR MG 1 118 LEU H 3.600 . 5.200 3.785 3.307 4.392 . 0 0 "[ . 1]" 1
475 1 118 LEU H 1 118 LEU HB2 2.900 . 3.900 2.556 2.238 3.209 . 0 0 "[ . 1]" 1
476 1 118 LEU H 1 118 LEU HB3 2.600 . 3.500 3.006 2.326 3.646 0.146 8 0 "[ . 1]" 1
477 1 117 GLY HA2 1 118 LEU H 3.300 . 4.600 3.138 2.690 3.469 . 0 0 "[ . 1]" 1
478 1 116 THR HB 1 118 LEU H 2.900 . 4.000 2.788 2.255 3.153 . 0 0 "[ . 1]" 1
479 1 118 LEU H 1 118 LEU HA 2.800 . 3.800 2.880 2.861 2.924 . 0 0 "[ . 1]" 1
480 1 117 GLY H 1 118 LEU H 2.800 . 3.800 2.486 2.078 3.187 . 0 0 "[ . 1]" 1
481 1 112 LEU H 1 113 CYS H 3.200 . 4.500 2.236 2.115 2.479 . 0 0 "[ . 1]" 1
482 1 113 CYS H 1 113 CYS HB3 3.600 . 5.300 3.746 3.675 3.841 . 0 0 "[ . 1]" 1
483 1 116 THR H 1 116 THR MG 4.600 . 6.000 3.757 3.715 3.828 . 0 0 "[ . 1]" 1
484 1 115 LEU QB 1 116 THR H 3.500 . 5.000 3.128 2.833 3.279 . 0 0 "[ . 1]" 1
485 1 115 LEU HA 1 116 THR H 2.800 . 3.800 2.157 2.117 2.209 . 0 0 "[ . 1]" 1
486 1 34 VAL HA 1 116 THR H 3.900 . 5.800 3.001 2.647 3.308 . 0 0 "[ . 1]" 1
487 1 116 THR HA 1 117 GLY H 3.500 . 5.100 3.478 3.431 3.526 . 0 0 "[ . 1]" 1
488 1 117 GLY H 1 117 GLY HA2 3.000 . 4.100 2.933 2.896 2.958 . 0 0 "[ . 1]" 1
489 1 119 THR H 1 119 THR MG 3.500 . 5.100 2.628 1.951 3.313 . 0 0 "[ . 1]" 1
490 1 119 THR H 1 119 THR HB 4.100 . 6.000 3.506 2.644 3.827 . 0 0 "[ . 1]" 1
491 1 3 GLU H 1 4 THR H 3.300 . 4.700 4.429 4.376 4.510 . 0 0 "[ . 1]" 1
492 1 2 SER HB3 1 3 GLU H 4.200 . 6.000 3.983 2.791 4.621 . 0 0 "[ . 1]" 1
493 1 3 GLU H 1 3 GLU HA 2.700 . 3.600 2.925 2.894 2.945 . 0 0 "[ . 1]" 1
494 1 3 GLU H 1 114 TYR HB3 3.700 . 5.400 4.423 3.814 5.189 . 0 0 "[ . 1]" 1
495 1 3 GLU H 1 3 GLU QG 3.500 . 5.000 4.006 2.382 4.354 . 0 0 "[ . 1]" 1
496 1 3 GLU H 1 3 GLU QB 2.800 . 3.800 2.628 2.395 2.982 . 0 0 "[ . 1]" 1
497 1 3 GLU H 1 115 LEU HB3 4.300 . 6.000 4.225 3.446 5.400 . 0 0 "[ . 1]" 1
498 1 34 VAL HB 1 44 ARG H 3.800 . 5.600 5.245 4.623 5.655 0.055 3 0 "[ . 1]" 1
499 1 43 TYR HA 1 44 ARG H 3.300 . 4.600 2.374 2.134 2.515 . 0 0 "[ . 1]" 1
500 1 51 ASP H 1 52 GLN H 2.600 . 3.400 2.751 2.574 3.205 . 0 0 "[ . 1]" 1
501 1 50 TRP H 1 52 GLN H 3.700 . 5.400 5.191 4.725 5.476 0.076 5 0 "[ . 1]" 1
502 1 51 ASP HA 1 52 GLN H 3.000 . 4.100 2.835 2.355 3.159 . 0 0 "[ . 1]" 1
503 1 52 GLN H 1 52 GLN HA 2.900 . 4.000 2.905 2.847 2.942 . 0 0 "[ . 1]" 1
504 1 50 TRP HA 1 52 GLN H 3.700 . 5.400 3.790 3.456 4.364 . 0 0 "[ . 1]" 1
505 1 51 ASP HB3 1 52 GLN H 3.700 . 5.400 4.387 4.204 4.572 . 0 0 "[ . 1]" 1
506 1 52 GLN H 1 52 GLN HB3 3.000 . 4.100 2.568 2.407 2.672 . 0 0 "[ . 1]" 1
507 1 52 GLN H 1 52 GLN QG 4.100 . 6.000 4.066 4.017 4.100 . 0 0 "[ . 1]" 1
508 1 52 GLN H 1 52 GLN HB2 2.900 . 3.900 2.671 2.489 3.052 . 0 0 "[ . 1]" 1
509 1 52 GLN H 1 86 PRO HB2 4.800 . 6.000 6.108 5.899 6.442 0.442 9 0 "[ . 1]" 1
510 1 57 THR H 1 57 THR MG 3.200 . 4.500 2.885 2.803 3.014 . 0 0 "[ . 1]" 1
511 1 56 SER HA 1 57 THR H 2.600 . 3.400 2.204 2.151 2.235 . 0 0 "[ . 1]" 1
512 1 56 SER H 1 57 THR H 4.700 . 6.000 4.599 4.569 4.633 . 0 0 "[ . 1]" 1
513 1 2 SER H 1 115 LEU QD 3.800 . 6.000 5.380 3.885 5.819 . 0 0 "[ . 1]" 1
514 1 2 SER H 1 2 SER HB3 3.600 . 5.200 3.469 3.093 4.112 . 0 0 "[ . 1]" 1
515 1 58 PHE HA 1 59 LYS H 2.700 . 3.600 2.277 2.139 2.566 . 0 0 "[ . 1]" 1
516 1 58 PHE HB3 1 59 LYS H 3.100 . 4.300 3.430 2.564 4.122 . 0 0 "[ . 1]" 1
517 1 58 PHE HB2 1 59 LYS H 3.700 . 5.400 3.302 2.133 4.158 . 0 0 "[ . 1]" 1
518 1 59 LYS H 1 59 LYS HB3 2.900 . 3.900 3.535 2.701 4.114 0.214 8 0 "[ . 1]" 1
519 1 59 LYS H 1 59 LYS HG3 3.800 . 5.600 3.546 1.981 4.656 0.019 9 0 "[ . 1]" 1
520 1 58 PHE QE 1 59 LYS H 4.400 . 6.000 5.851 5.213 6.097 0.097 7 0 "[ . 1]" 1
521 1 2 SER HA 1 3 GLU H 2.300 . 3.000 2.202 2.116 2.512 . 0 0 "[ . 1]" 1
522 1 3 GLU H 1 114 TYR HA 3.500 . 5.000 4.701 4.426 5.030 0.030 9 0 "[ . 1]" 1
523 1 3 GLU H 1 114 TYR QD 3.400 . 4.900 3.510 2.869 4.214 . 0 0 "[ . 1]" 1
524 1 106 ALA H 1 106 ALA MB 3.200 . 4.500 2.291 2.248 2.384 . 0 0 "[ . 1]" 1
525 1 57 THR HB 1 57 THR MG 2.200 . 2.800 2.133 2.129 2.136 . 0 0 "[ . 1]" 1
526 1 5 VAL HA 1 115 LEU QD 3.000 . 6.000 3.537 2.734 4.178 . 0 0 "[ . 1]" 1
527 1 5 VAL HA 1 8 PHE HB2 3.400 . 4.900 3.530 3.287 3.840 . 0 0 "[ . 1]" 1
528 1 5 VAL HB 1 115 LEU QD 3.700 . 6.000 5.273 3.180 6.037 0.037 4 0 "[ . 1]" 1
529 1 35 LEU QD 1 114 TYR HA 3.700 . 5.400 3.860 3.711 3.955 . 0 0 "[ . 1]" 1
530 1 115 LEU HA 1 115 LEU HB3 2.200 . 2.800 2.478 2.374 2.613 . 0 0 "[ . 1]" 1
531 1 102 LEU HA 1 102 LEU HB3 2.900 . 4.000 2.621 2.456 3.012 . 0 0 "[ . 1]" 1
532 1 115 LEU HB3 1 115 LEU QD 2.500 . 3.300 2.146 2.108 2.236 . 0 0 "[ . 1]" 1
533 1 115 LEU HB2 1 115 LEU QD 2.400 . 3.100 2.243 2.125 2.318 . 0 0 "[ . 1]" 1
534 1 115 LEU HA 1 115 LEU HG 2.700 . 3.600 2.988 2.418 3.346 . 0 0 "[ . 1]" 1
535 1 115 LEU QD 1 115 LEU HG 2.200 . 2.800 1.893 1.889 1.896 . 0 0 "[ . 1]" 1
536 1 115 LEU HA 1 115 LEU QD 3.400 . 4.700 2.247 1.952 2.768 0.048 7 0 "[ . 1]" 1
537 1 115 LEU QB 1 115 LEU QD 1.900 . 2.400 1.709 1.698 1.715 . 0 0 "[ . 1]" 1
538 1 80 ILE MD 1 109 ILE MD 2.800 . 6.000 2.591 2.008 3.307 . 0 0 "[ . 1]" 1
539 1 109 ILE HB 1 109 ILE MD 3.200 . 4.500 2.555 2.341 3.227 . 0 0 "[ . 1]" 1
540 1 109 ILE HA 1 109 ILE MD 3.500 . 5.000 3.341 1.972 4.160 0.028 10 0 "[ . 1]" 1
541 1 68 PHE HA 1 109 ILE MD 2.600 . 6.000 5.413 4.790 6.088 0.088 2 0 "[ . 1]" 1
542 1 29 LEU HA 1 29 LEU MD1 2.400 . 6.000 2.690 1.870 3.822 . 0 0 "[ . 1]" 1
543 1 29 LEU HB3 1 29 LEU MD2 2.700 . 3.600 2.803 2.352 3.213 . 0 0 "[ . 1]" 1
544 1 29 LEU HB2 1 29 LEU MD1 2.800 . 3.800 2.791 2.357 3.209 . 0 0 "[ . 1]" 1
545 1 25 VAL HA 1 29 LEU MD1 3.400 . 6.000 4.613 3.296 5.329 . 0 0 "[ . 1]" 1
546 1 8 PHE HZ 1 29 LEU MD1 2.700 . 6.000 5.084 4.318 5.788 . 0 0 "[ . 1]" 1
547 1 29 LEU HA 1 29 LEU HG 3.000 . 4.100 3.377 3.013 3.687 . 0 0 "[ . 1]" 1
548 1 29 LEU MD1 1 29 LEU HG 2.400 . 3.100 2.125 2.122 2.128 . 0 0 "[ . 1]" 1
549 1 33 ILE HA 1 44 ARG HA 3.400 . 4.900 2.817 2.251 3.228 . 0 0 "[ . 1]" 1
550 1 33 ILE HA 1 33 ILE MD 4.000 . 6.000 2.954 1.997 3.776 0.003 3 0 "[ . 1]" 1
551 1 33 ILE HB 1 33 ILE MD 4.300 . 6.000 2.635 2.325 3.248 . 0 0 "[ . 1]" 1
552 1 9 MET HA 1 9 MET QB 3.400 . 4.900 2.192 2.172 2.344 . 0 0 "[ . 1]" 1
553 1 9 MET HA 1 9 MET QB 3.200 . 4.500 2.162 2.159 2.172 . 0 0 "[ . 1]" 1
554 1 9 MET HA 1 12 LEU HB2 3.300 . 4.700 3.059 2.465 3.488 . 0 0 "[ . 1]" 1
555 1 6 LEU HA 1 6 LEU HB2 2.600 . 3.400 1.862 1.774 1.957 0.026 5 0 "[ . 1]" 1
556 1 6 LEU HA 1 6 LEU MD2 2.800 . 6.000 2.680 1.829 3.881 . 0 0 "[ . 1]" 1
557 1 6 LEU MD2 1 9 MET HG2 2.500 . 6.000 4.223 2.971 5.442 . 0 0 "[ . 1]" 1
558 1 6 LEU MD2 1 9 MET ME 2.700 . 6.000 4.315 2.987 6.002 0.002 3 0 "[ . 1]" 1
559 1 6 LEU HA 1 6 LEU MD1 2.900 . 3.900 2.475 1.890 3.811 0.010 7 0 "[ . 1]" 1
560 1 6 LEU MD1 1 9 MET QB 2.800 . 6.000 4.800 4.024 6.603 0.603 8 1 "[ . + 1]" 1
561 1 6 LEU MD1 1 9 MET HG2 2.400 . 6.000 3.730 2.778 5.395 . 0 0 "[ . 1]" 1
562 1 6 LEU HB3 1 6 LEU MD1 2.400 . 6.000 2.616 2.303 3.200 . 0 0 "[ . 1]" 1
563 1 7 ASP HA 1 10 PHE HB3 2.800 . 3.800 2.666 2.347 3.132 . 0 0 "[ . 1]" 1
564 1 7 ASP HA 1 7 ASP HB2 3.000 . 4.100 2.624 2.468 3.027 . 0 0 "[ . 1]" 1
565 1 8 PHE HA 1 8 PHE HB2 2.600 . 3.400 2.453 2.407 2.482 . 0 0 "[ . 1]" 1
566 1 8 PHE HA 1 8 PHE QD 3.000 . 4.100 2.804 2.654 2.881 . 0 0 "[ . 1]" 1
567 1 10 PHE HA 1 10 PHE HB2 2.700 . 3.600 2.484 2.429 2.634 . 0 0 "[ . 1]" 1
568 1 10 PHE HB2 1 10 PHE QD 2.700 . 3.600 2.490 2.349 2.631 . 0 0 "[ . 1]" 1
569 1 10 PHE HB3 1 10 PHE QD 2.700 . 3.600 2.319 2.264 2.442 . 0 0 "[ . 1]" 1
570 1 11 ASN HA 1 11 ASN HB3 2.900 . 3.900 2.978 2.526 3.033 . 0 0 "[ . 1]" 1
571 1 11 ASN HA 1 11 ASN HB2 2.700 . 3.600 2.516 2.380 3.030 . 0 0 "[ . 1]" 1
572 1 12 LEU HA 1 12 LEU QD 2.900 . 3.600 1.966 1.805 2.038 . 0 0 "[ . 1]" 1
573 1 12 LEU HA 1 12 LEU HB2 2.600 . 3.400 2.440 2.377 2.650 . 0 0 "[ . 1]" 1
574 1 12 LEU HA 1 12 LEU HB3 3.000 . 4.100 3.011 2.973 3.022 . 0 0 "[ . 1]" 1
575 1 12 LEU HA 1 15 GLN HB2 4.000 . 6.000 4.844 3.704 5.671 . 0 0 "[ . 1]" 1
576 1 12 LEU HA 1 15 GLN HG3 3.600 . 5.200 3.916 3.075 5.896 0.696 10 1 "[ . +]" 1
577 1 12 LEU HA 1 12 LEU HB2 2.800 . 3.800 2.540 2.475 2.712 . 0 0 "[ . 1]" 1
578 1 12 LEU HB3 1 12 LEU QD 2.600 . 3.400 2.278 2.253 2.399 . 0 0 "[ . 1]" 1
579 1 12 LEU HB2 1 12 LEU QD 2.600 . 3.600 2.159 2.104 2.403 . 0 0 "[ . 1]" 1
580 1 12 LEU HA 1 12 LEU HG 2.900 . 4.000 3.177 2.974 3.717 . 0 0 "[ . 1]" 1
581 1 12 LEU QD 1 16 THR HB 3.100 . 4.900 3.217 2.186 3.820 . 0 0 "[ . 1]" 1
582 1 12 LEU QD 1 25 VAL HA 2.800 . 3.800 2.989 2.600 3.743 . 0 0 "[ . 1]" 1
583 1 9 MET QB 1 12 LEU QD 3.000 . 6.000 4.050 3.564 4.655 . 0 0 "[ . 1]" 1
584 1 12 LEU QD 1 25 VAL HB 3.300 . 4.700 3.736 2.565 4.612 . 0 0 "[ . 1]" 1
585 1 12 LEU HB2 1 12 LEU QD 2.100 . 2.600 1.777 1.766 1.820 . 0 0 "[ . 1]" 1
586 1 12 LEU QD 1 15 GLN HB3 3.900 . 6.000 4.572 3.033 5.860 . 0 0 "[ . 1]" 1
587 1 13 TYR HA 1 13 TYR QD 3.200 . 4.500 2.659 2.230 3.137 . 0 0 "[ . 1]" 1
588 1 14 GLN HA 1 14 GLN HB3 2.700 . 3.600 2.440 2.372 2.499 . 0 0 "[ . 1]" 1
589 1 14 GLN HA 1 14 GLN QG 2.900 . 3.900 3.003 2.422 3.343 . 0 0 "[ . 1]" 1
590 1 24 GLN HB3 1 24 GLN HG3 2.400 . 3.100 2.512 2.417 2.979 . 0 0 "[ . 1]" 1
591 1 24 GLN HB2 1 24 GLN HG3 2.600 . 3.400 2.754 2.305 3.013 . 0 0 "[ . 1]" 1
592 1 16 THR MG 1 24 GLN HB3 2.900 . 6.000 3.654 3.172 4.521 . 0 0 "[ . 1]" 1
593 1 16 THR MG 1 24 GLN HB2 3.000 . 6.000 3.292 3.003 3.791 . 0 0 "[ . 1]" 1
594 1 16 THR HA 1 16 THR HB 2.500 . 3.300 3.027 3.015 3.038 . 0 0 "[ . 1]" 1
595 1 16 THR HA 1 16 THR MG 2.400 . 3.100 2.334 2.268 2.417 . 0 0 "[ . 1]" 1
596 1 16 THR HB 1 16 THR MG 2.200 . 2.800 2.135 2.128 2.139 . 0 0 "[ . 1]" 1
597 1 12 LEU QD 1 16 THR MG 3.700 . 6.000 3.234 2.964 3.510 . 0 0 "[ . 1]" 1
598 1 16 THR MG 1 24 GLN HG3 2.800 . 6.000 3.856 1.680 5.025 . 0 0 "[ . 1]" 1
599 1 16 THR MG 1 21 PHE HB2 3.100 . 4.300 2.685 2.261 3.121 . 0 0 "[ . 1]" 1
600 1 16 THR MG 1 21 PHE HB3 3.600 . 5.200 3.573 3.047 4.096 . 0 0 "[ . 1]" 1
601 1 13 TYR HA 1 16 THR MG 4.400 . 6.000 4.921 4.505 5.608 . 0 0 "[ . 1]" 1
602 1 16 THR MG 1 21 PHE HA 2.600 . 3.500 2.639 2.384 3.218 . 0 0 "[ . 1]" 1
603 1 16 THR MG 1 21 PHE QD 3.200 . 6.000 3.836 3.426 4.308 . 0 0 "[ . 1]" 1
604 1 20 LYS QE 1 20 LYS QG 2.200 . 2.800 2.281 2.129 2.667 . 0 0 "[ . 1]" 1
605 1 21 PHE HA 1 21 PHE QD 3.100 . 4.300 3.003 2.886 3.248 . 0 0 "[ . 1]" 1
606 1 21 PHE HA 1 21 PHE HB2 3.000 . 4.100 2.313 2.250 2.379 . 0 0 "[ . 1]" 1
607 1 73 ARG HA 1 73 ARG HB3 2.800 . 3.800 3.019 3.009 3.027 . 0 0 "[ . 1]" 1
608 1 73 ARG HA 1 73 ARG HG3 3.100 . 4.300 3.110 2.933 3.639 . 0 0 "[ . 1]" 1
609 1 73 ARG HA 1 73 ARG HG2 3.400 . 4.900 3.661 2.398 3.892 . 0 0 "[ . 1]" 1
610 1 22 GLN HA 1 22 GLN HG3 3.300 . 4.700 3.106 2.576 3.777 . 0 0 "[ . 1]" 1
611 1 73 ARG HB2 1 73 ARG HD3 3.900 . 5.800 2.647 2.273 3.818 . 0 0 "[ . 1]" 1
612 1 73 ARG HD3 1 73 ARG HG3 2.500 . 3.300 2.904 2.405 3.020 . 0 0 "[ . 1]" 1
613 1 22 GLN HB2 1 22 GLN HG3 2.700 . 3.600 2.442 2.338 2.565 . 0 0 "[ . 1]" 1
614 1 70 GLU HA 1 70 GLU HG2 2.800 . 3.800 3.184 2.739 3.807 0.007 1 0 "[ . 1]" 1
615 1 70 GLU HA 1 70 GLU HG3 3.000 . 4.100 3.124 2.387 3.783 . 0 0 "[ . 1]" 1
616 1 25 VAL HA 1 25 VAL HB 3.000 . 4.100 2.740 2.436 3.028 . 0 0 "[ . 1]" 1
617 1 22 GLN HA 1 25 VAL HB 3.000 . 4.100 3.619 3.026 4.093 . 0 0 "[ . 1]" 1
618 1 21 PHE HA 1 25 VAL HB 3.700 . 5.400 5.072 4.741 5.472 0.072 10 0 "[ . 1]" 1
619 1 25 VAL HB 1 50 TRP HH2 3.500 . 5.000 3.695 2.793 4.711 . 0 0 "[ . 1]" 1
620 1 9 MET QB 1 12 LEU HB2 4.200 . 6.000 4.398 3.916 4.784 . 0 0 "[ . 1]" 1
621 1 9 MET QB 1 25 VAL HA 3.600 . 6.000 5.358 5.081 5.726 . 0 0 "[ . 1]" 1
622 1 24 GLN HA 1 24 GLN HG3 2.700 . 3.600 3.218 2.817 3.752 0.152 10 0 "[ . 1]" 1
623 1 9 MET HA 1 9 MET ME 4.100 . 6.000 4.121 3.819 4.200 . 0 0 "[ . 1]" 1
624 1 9 MET ME 1 21 PHE QE 3.500 . 6.000 4.439 3.094 5.029 . 0 0 "[ . 1]" 1
625 1 9 MET ME 1 50 TRP HZ2 3.200 . 6.000 5.242 3.760 5.848 . 0 0 "[ . 1]" 1
626 1 9 MET ME 1 50 TRP HH2 2.900 . 6.000 4.595 2.711 5.318 . 0 0 "[ . 1]" 1
627 1 9 MET ME 1 50 TRP HZ3 2.700 . 6.000 4.830 3.292 5.463 . 0 0 "[ . 1]" 1
628 1 9 MET ME 1 50 TRP HA 3.800 . 6.000 5.973 5.517 6.095 0.095 8 0 "[ . 1]" 1
629 1 6 LEU HA 1 9 MET ME 3.400 . 6.000 3.629 2.906 4.504 . 0 0 "[ . 1]" 1
630 1 9 MET QB 1 9 MET ME 3.100 . 4.300 2.002 1.944 2.038 . 0 0 "[ . 1]" 1
631 1 9 MET QB 1 9 MET ME 2.800 . 3.800 1.973 1.885 2.023 . 0 0 "[ . 1]" 1
632 1 9 MET ME 1 88 LEU QD 2.800 . 6.000 3.793 2.735 4.913 . 0 0 "[ . 1]" 1
633 1 48 ILE HB 1 48 ILE MD 2.400 . 3.100 2.378 2.297 2.461 . 0 0 "[ . 1]" 1
634 1 29 LEU HG 1 48 ILE MD 3.000 . 4.100 3.516 2.654 4.054 . 0 0 "[ . 1]" 1
635 1 25 VAL HB 1 48 ILE MD 3.900 . 5.800 4.559 3.917 5.701 . 0 0 "[ . 1]" 1
636 1 48 ILE MD 1 49 ASP HA 4.000 . 6.000 6.086 5.939 6.175 0.175 7 0 "[ . 1]" 1
637 1 26 SER HA 1 48 ILE MD 2.400 . 3.100 2.277 1.813 3.135 0.035 3 0 "[ . 1]" 1
638 1 48 ILE MD 1 50 TRP HZ2 3.200 . 6.000 4.119 3.799 4.498 . 0 0 "[ . 1]" 1
639 1 27 LYS HB3 1 27 LYS QE 3.700 . 5.400 3.816 2.017 4.466 . 0 0 "[ . 1]" 1
640 1 27 LYS HB3 1 27 LYS HG2 2.600 . 3.400 2.773 2.379 3.016 . 0 0 "[ . 1]" 1
641 1 27 LYS HB3 1 27 LYS HD3 2.800 . 3.800 3.299 2.754 3.840 0.040 4 0 "[ . 1]" 1
642 1 27 LYS HA 1 27 LYS HB3 2.200 . 2.800 2.805 2.502 3.024 0.224 7 0 "[ . 1]" 1
643 1 27 LYS HB3 1 27 LYS HG3 2.300 . 2.900 2.465 2.419 2.524 . 0 0 "[ . 1]" 1
644 1 27 LYS HA 1 27 LYS HG3 2.800 . 3.800 3.421 2.917 3.720 . 0 0 "[ . 1]" 1
645 1 27 LYS HA 1 27 LYS HG2 2.800 . 3.800 3.118 2.369 3.826 0.026 4 0 "[ . 1]" 1
646 1 27 LYS HA 1 27 LYS HD3 2.500 . 3.300 2.436 1.725 3.535 0.235 4 0 "[ . 1]" 1
647 1 27 LYS HA 1 27 LYS QE 2.800 . 3.700 3.414 2.806 3.715 0.015 2 0 "[ . 1]" 1
648 1 8 PHE QE 1 29 LEU MD1 3.300 . 4.700 3.462 2.642 3.767 . 0 0 "[ . 1]" 1
649 1 29 LEU HA 1 29 LEU MD2 3.400 . 4.800 2.432 1.840 3.831 0.160 4 0 "[ . 1]" 1
650 1 29 LEU HB2 1 29 LEU MD2 3.200 . 4.500 2.699 2.328 3.205 . 0 0 "[ . 1]" 1
651 1 29 LEU MD1 1 29 LEU MD2 2.800 . 3.800 2.086 2.074 2.094 . 0 0 "[ . 1]" 1
652 1 30 ILE HB 1 30 ILE MD 2.600 . 3.400 2.449 2.420 2.467 . 0 0 "[ . 1]" 1
653 1 30 ILE HA 1 30 ILE MD 3.600 . 5.200 3.693 2.686 3.856 . 0 0 "[ . 1]" 1
654 1 27 LYS HA 1 30 ILE MD 3.800 . 5.600 4.453 4.121 4.805 . 0 0 "[ . 1]" 1
655 1 30 ILE MD 1 47 ASP HA 2.600 . 6.000 2.699 1.925 3.218 . 0 0 "[ . 1]" 1
656 1 34 VAL HA 1 119 THR MG 3.200 . 6.000 5.180 4.188 6.026 0.026 10 0 "[ . 1]" 1
657 1 102 LEU HA 1 103 PRO HD3 2.900 . 3.900 2.648 1.883 4.008 0.108 6 0 "[ . 1]" 1
658 1 102 LEU HA 1 103 PRO HD2 2.900 . 3.900 2.947 2.234 3.968 0.068 2 0 "[ . 1]" 1
659 1 102 LEU HA 1 102 LEU HB3 2.900 . 4.000 2.455 2.222 2.734 . 0 0 "[ . 1]" 1
660 1 102 LEU HA 1 102 LEU MD2 2.900 . 3.900 3.118 1.966 3.879 . 0 0 "[ . 1]" 1
661 1 102 LEU MD1 1 102 LEU HG 2.100 . 2.600 2.126 2.120 2.130 . 0 0 "[ . 1]" 1
662 1 102 LEU HA 1 102 LEU QD 2.800 . 3.800 2.416 1.831 3.420 . 0 0 "[ . 1]" 1
663 1 101 THR HA 1 102 LEU QD 2.700 . 6.000 4.096 2.944 5.272 . 0 0 "[ . 1]" 1
664 1 102 LEU QD 1 103 PRO HD3 3.900 . 5.800 3.631 3.064 4.412 . 0 0 "[ . 1]" 1
665 1 102 LEU QD 1 103 PRO HD2 3.400 . 4.800 3.708 3.020 4.320 . 0 0 "[ . 1]" 1
666 1 90 SER HB3 1 108 LEU QD 3.300 . 6.000 4.433 3.563 5.488 . 0 0 "[ . 1]" 1
667 1 43 TYR QD 1 108 LEU QD 2.700 . 6.000 3.122 2.644 3.763 . 0 0 "[ . 1]" 1
668 1 43 TYR HB3 1 108 LEU QD 3.200 . 6.000 3.842 3.099 4.676 . 0 0 "[ . 1]" 1
669 1 43 TYR HB2 1 108 LEU QD 3.000 . 6.000 3.602 2.759 4.125 . 0 0 "[ . 1]" 1
670 1 108 LEU HB3 1 108 LEU QD 2.700 . 3.600 2.243 2.093 2.454 . 0 0 "[ . 1]" 1
671 1 43 TYR QE 1 108 LEU QD 2.900 . 6.000 3.298 2.563 3.929 . 0 0 "[ . 1]" 1
672 1 108 LEU HA 1 108 LEU QD 2.700 . 3.600 2.032 1.899 2.224 0.101 3 0 "[ . 1]" 1
673 1 108 LEU QD 2 8 . H4' 2.400 . 2.600 2.514 2.346 2.581 . 0 0 "[ . 1]" 1
674 1 108 LEU HA 1 108 LEU HG 3.300 . 4.700 3.253 2.862 3.756 . 0 0 "[ . 1]" 1
675 1 69 LEU HA 1 69 LEU MD1 2.900 . 3.900 2.273 2.013 3.601 . 0 0 "[ . 1]" 1
676 1 69 LEU HA 1 69 LEU MD2 2.700 . 6.000 3.816 3.236 3.899 . 0 0 "[ . 1]" 1
677 1 69 LEU HA 1 69 LEU HB2 2.900 . 4.000 2.486 2.447 2.550 . 0 0 "[ . 1]" 1
678 1 69 LEU HA 1 69 LEU HG 3.100 . 4.300 2.941 2.453 3.151 . 0 0 "[ . 1]" 1
679 1 69 LEU HB3 1 69 LEU MD2 2.700 . 3.600 2.265 2.196 2.320 . 0 0 "[ . 1]" 1
680 1 69 LEU HB2 1 69 LEU MD2 2.800 . 3.800 2.527 2.383 3.153 . 0 0 "[ . 1]" 1
681 1 69 LEU MD2 1 73 ARG HB2 2.300 . 6.000 4.685 3.030 5.242 . 0 0 "[ . 1]" 1
682 1 69 LEU HB2 1 69 LEU MD2 2.300 . 3.000 2.014 1.986 2.101 . 0 0 "[ . 1]" 1
683 1 69 LEU MD1 1 73 ARG HB2 2.500 . 6.000 4.102 2.657 5.317 . 0 0 "[ . 1]" 1
684 1 69 LEU MD1 1 69 LEU HG 2.000 . 2.500 2.126 2.124 2.132 . 0 0 "[ . 1]" 1
685 1 80 ILE HB 1 80 ILE MD 2.700 . 3.600 2.398 2.377 2.434 . 0 0 "[ . 1]" 1
686 1 66 VAL HA 1 66 VAL HB 2.600 . 3.500 2.519 2.427 3.016 . 0 0 "[ . 1]" 1
687 1 65 GLU HA 1 65 GLU QG 3.100 . 4.100 2.414 2.312 2.576 . 0 0 "[ . 1]" 1
688 1 65 GLU HA 1 65 GLU HB3 2.400 . 3.100 2.501 2.355 2.581 . 0 0 "[ . 1]" 1
689 1 57 THR HB 1 65 GLU QG 3.500 . 4.200 3.371 2.826 3.897 . 0 0 "[ . 1]" 1
690 1 65 GLU HB3 1 65 GLU QG 2.300 . 2.900 2.283 2.135 2.408 . 0 0 "[ . 1]" 1
691 1 57 THR MG 1 65 GLU QG 3.800 . 6.000 3.590 2.563 4.756 . 0 0 "[ . 1]" 1
692 1 64 SER HA 1 64 SER HB3 2.600 . 3.400 2.732 2.394 3.037 . 0 0 "[ . 1]" 1
693 1 116 THR HA 1 116 THR MG 2.500 . 3.300 2.260 2.209 2.307 . 0 0 "[ . 1]" 1
694 1 116 THR HA 1 116 THR HB 2.600 . 3.400 3.006 2.985 3.019 . 0 0 "[ . 1]" 1
695 1 116 THR MG 1 118 LEU QD 2.600 . 6.000 2.981 2.293 3.506 . 0 0 "[ . 1]" 1
696 1 34 VAL HA 1 115 LEU HA 3.100 . 4.300 2.852 2.476 3.207 . 0 0 "[ . 1]" 1
697 1 28 GLU HA 1 28 GLU HB3 2.800 . 3.700 2.439 2.396 2.512 . 0 0 "[ . 1]" 1
698 1 28 GLU HA 1 28 GLU HG3 3.100 . 4.300 3.704 3.146 3.820 . 0 0 "[ . 1]" 1
699 1 25 VAL HA 1 28 GLU HG3 3.600 . 5.200 4.469 3.788 5.100 . 0 0 "[ . 1]" 1
700 1 28 GLU HB2 1 28 GLU HG3 2.400 . 3.100 2.436 2.363 2.510 . 0 0 "[ . 1]" 1
701 1 24 GLN HA 1 28 GLU HG3 3.800 . 5.600 4.854 4.292 5.350 . 0 0 "[ . 1]" 1
702 1 42 THR HA 1 42 THR HB 2.800 . 3.800 2.422 2.261 3.000 . 0 0 "[ . 1]" 1
703 1 35 LEU HB3 1 42 THR HA 3.300 . 4.700 3.543 3.156 3.926 . 0 0 "[ . 1]" 1
704 1 35 LEU QD 1 42 THR HB 2.800 . 6.000 4.673 3.811 5.636 . 0 0 "[ . 1]" 1
705 1 42 THR HA 1 42 THR MG 2.900 . 3.900 3.012 2.325 3.196 . 0 0 "[ . 1]" 1
706 1 42 THR HB 1 42 THR MG 2.400 . 3.100 2.123 2.112 2.130 . 0 0 "[ . 1]" 1
707 1 35 LEU QD 1 42 THR MG 1.900 . 6.000 4.816 3.601 5.349 . 0 0 "[ . 1]" 1
708 1 107 MET ME 1 107 MET HG2 2.500 . 3.300 2.455 2.426 2.498 . 0 0 "[ . 1]" 1
709 1 107 MET ME 1 107 MET HG3 3.100 . 4.300 3.393 3.383 3.408 . 0 0 "[ . 1]" 1
710 1 89 VAL HA 1 107 MET ME 3.000 . 6.000 4.910 3.695 5.467 . 0 0 "[ . 1]" 1
711 1 106 ALA HA 2 8 . H1' 2.400 . 2.600 1.930 1.774 2.388 0.026 10 0 "[ . 1]" 1
712 1 106 ALA HA 1 106 ALA MB 2.300 . 3.000 2.127 2.121 2.135 . 0 0 "[ . 1]" 1
713 1 43 TYR QE 1 106 ALA MB 2.700 . 6.000 4.052 3.212 5.180 . 0 0 "[ . 1]" 1
714 1 106 ALA MB 1 108 LEU QD 3.100 . 5.400 3.040 2.436 3.760 . 0 0 "[ . 1]" 1
715 1 4 THR HA 1 4 THR HB 2.800 . 3.800 2.507 2.373 3.011 . 0 0 "[ . 1]" 1
716 1 4 THR HA 1 4 THR MG 2.900 . 3.900 2.942 2.251 3.220 . 0 0 "[ . 1]" 1
717 1 4 THR HB 1 4 THR MG 2.400 . 3.100 2.132 2.126 2.138 . 0 0 "[ . 1]" 1
718 1 4 THR MG 1 114 TYR QE 2.600 . 6.000 3.434 2.431 4.039 . 0 0 "[ . 1]" 1
719 1 4 THR MG 1 114 TYR QD 3.400 . 6.000 4.535 3.727 5.034 . 0 0 "[ . 1]" 1
720 1 79 GLU HA 1 79 GLU HB3 2.900 . 4.000 3.014 2.959 3.027 . 0 0 "[ . 1]" 1
721 1 79 GLU HA 1 79 GLU HB2 2.400 . 3.100 2.529 2.435 2.696 . 0 0 "[ . 1]" 1
722 1 48 ILE HA 1 88 LEU HA 3.100 . 4.300 3.017 2.649 3.340 . 0 0 "[ . 1]" 1
723 1 88 LEU HA 1 88 LEU QD 3.100 . 3.800 2.123 1.921 3.058 . 0 0 "[ . 1]" 1
724 1 88 LEU HB3 1 88 LEU QD 3.800 . 5.600 2.210 2.102 2.429 . 0 0 "[ . 1]" 1
725 1 86 PRO HB2 1 88 LEU QD 2.500 . 6.000 4.151 3.931 4.406 . 0 0 "[ . 1]" 1
726 1 88 LEU MD1 1 88 LEU MD2 2.200 . 6.000 2.087 2.071 2.103 . 0 0 "[ . 1]" 1
727 1 2 SER HA 1 2 SER HB3 2.200 . 2.800 2.402 2.331 2.522 . 0 0 "[ . 1]" 1
728 1 3 GLU HA 1 3 GLU HB2 2.600 . 3.400 2.520 2.494 2.548 . 0 0 "[ . 1]" 1
729 1 3 GLU HA 1 3 GLU HB3 3.000 . 4.100 2.960 2.377 3.030 . 0 0 "[ . 1]" 1
730 1 3 GLU HA 1 3 GLU QG 2.500 . 3.300 2.773 2.336 3.409 0.109 9 0 "[ . 1]" 1
731 1 3 GLU QG 1 7 ASP HB3 2.900 . 3.900 2.675 2.139 3.737 . 0 0 "[ . 1]" 1
732 1 3 GLU QG 1 7 ASP HB2 3.200 . 4.500 3.236 2.412 3.966 . 0 0 "[ . 1]" 1
733 1 36 THR HA 1 113 CYS HA 3.000 . 4.100 2.754 2.445 3.141 . 0 0 "[ . 1]" 1
734 1 36 THR MG 1 113 CYS HA 2.700 . 6.000 3.602 2.908 4.502 . 0 0 "[ . 1]" 1
735 1 9 MET ME 1 86 PRO HD3 3.900 . 5.800 4.199 3.634 4.903 . 0 0 "[ . 1]" 1
736 1 10 PHE HA 1 10 PHE QD 2.800 . 6.000 2.690 2.350 3.025 . 0 0 "[ . 1]" 1
737 1 10 PHE HA 1 13 TYR HB2 3.500 . 5.000 3.265 3.077 3.622 . 0 0 "[ . 1]" 1
738 1 10 PHE HA 1 13 TYR QD 4.100 . 6.000 4.179 3.743 4.745 . 0 0 "[ . 1]" 1
739 1 8 PHE HZ 1 12 LEU QD 2.400 . 6.000 3.637 3.255 4.101 . 0 0 "[ . 1]" 1
740 1 8 PHE QE 1 12 LEU QD 3.000 . 6.000 3.048 2.548 4.081 . 0 0 "[ . 1]" 1
741 1 13 TYR HA 1 21 PHE QD 3.200 . 4.500 3.093 2.766 3.425 . 0 0 "[ . 1]" 1
742 1 52 GLN HA 1 52 GLN QG 2.900 . 3.600 2.818 2.342 3.071 . 0 0 "[ . 1]" 1
743 1 15 GLN HA 1 15 GLN HB3 2.800 . 3.800 2.601 2.363 3.022 . 0 0 "[ . 1]" 1
744 1 15 GLN HB3 1 15 GLN HG3 2.900 . 3.900 3.008 3.003 3.013 . 0 0 "[ . 1]" 1
745 1 15 GLN HA 1 15 GLN HB2 2.600 . 3.500 2.470 2.395 2.529 . 0 0 "[ . 1]" 1
746 1 15 GLN HA 1 15 GLN HG3 2.800 . 3.800 3.410 2.463 3.820 0.020 9 0 "[ . 1]" 1
747 1 17 GLU HA 1 17 GLU QB 2.600 . 3.400 2.176 2.146 2.362 . 0 0 "[ . 1]" 1
748 1 17 GLU HA 1 17 GLU QG 2.800 . 3.800 3.299 2.963 3.515 . 0 0 "[ . 1]" 1
749 1 18 GLU HA 1 21 PHE HB3 3.000 . 4.100 2.176 1.942 2.894 . 0 0 "[ . 1]" 1
750 1 18 GLU HA 1 21 PHE HB2 4.500 . 6.000 3.436 2.723 4.454 . 0 0 "[ . 1]" 1
751 1 18 GLU HA 1 18 GLU QG 3.100 . 4.300 2.962 2.419 3.434 . 0 0 "[ . 1]" 1
752 1 18 GLU HA 1 18 GLU HB3 2.600 . 3.500 2.627 2.321 3.032 . 0 0 "[ . 1]" 1
753 1 18 GLU HA 1 18 GLU HB2 2.300 . 3.000 2.557 2.436 3.035 0.035 10 0 "[ . 1]" 1
754 1 18 GLU HA 1 18 GLU HG3 2.900 . 4.000 3.318 2.519 4.198 0.198 8 0 "[ . 1]" 1
755 1 18 GLU HA 1 18 GLU HG2 2.900 . 4.000 3.430 2.849 3.866 . 0 0 "[ . 1]" 1
756 1 22 GLN HA 1 22 GLN HB3 3.000 . 4.100 2.524 2.451 2.624 . 0 0 "[ . 1]" 1
757 1 22 GLN HA 1 22 GLN HG2 3.200 . 4.500 2.613 2.406 3.142 . 0 0 "[ . 1]" 1
758 1 24 GLN HA 1 24 GLN HB2 2.700 . 3.600 2.722 2.470 3.021 . 0 0 "[ . 1]" 1
759 1 24 GLN HA 1 24 GLN HB3 2.800 . 3.800 2.815 2.484 3.025 . 0 0 "[ . 1]" 1
760 1 28 GLU HA 1 28 GLU HB2 3.000 . 4.100 3.019 3.014 3.025 . 0 0 "[ . 1]" 1
761 1 8 PHE HZ 1 29 LEU MD2 4.300 . 6.000 4.028 3.460 6.008 0.008 3 0 "[ . 1]" 1
762 1 32 LEU HA 1 32 LEU QD 2.700 . 6.000 2.279 1.891 3.398 . 0 0 "[ . 1]" 1
763 1 32 LEU HA 1 32 LEU HB2 3.000 . 4.100 2.814 2.474 3.030 . 0 0 "[ . 1]" 1
764 1 32 LEU HA 1 32 LEU HB3 2.600 . 3.400 2.606 2.324 3.006 . 0 0 "[ . 1]" 1
765 1 32 LEU HB3 1 32 LEU QD 3.000 . 4.100 2.184 2.107 2.293 . 0 0 "[ . 1]" 1
766 1 32 LEU HA 1 32 LEU HG 2.900 . 3.900 3.200 2.626 3.736 . 0 0 "[ . 1]" 1
767 1 32 LEU HB2 1 32 LEU QD 2.400 . 3.100 2.207 2.103 2.359 . 0 0 "[ . 1]" 1
768 1 32 LEU QD 1 119 THR MG 2.400 . 6.000 2.095 1.613 2.561 . 0 0 "[ . 1]" 1
769 1 35 LEU HA 1 35 LEU QD 3.600 . 5.200 3.323 3.133 3.423 . 0 0 "[ . 1]" 1
770 1 35 LEU HA 1 42 THR MG 3.800 . 5.600 4.490 3.534 4.957 . 0 0 "[ . 1]" 1
771 1 35 LEU HA 1 35 LEU HB3 2.800 . 3.800 2.693 2.492 2.877 . 0 0 "[ . 1]" 1
772 1 35 LEU HA 1 42 THR HA 2.800 . 3.800 2.068 1.785 2.389 0.015 7 0 "[ . 1]" 1
773 1 35 LEU HA 1 42 THR HB 4.900 . 6.000 4.080 3.321 4.833 . 0 0 "[ . 1]" 1
774 1 35 LEU HB3 1 35 LEU QD 3.300 . 4.700 2.175 2.079 2.439 . 0 0 "[ . 1]" 1
775 1 35 LEU QD 1 42 THR HA 3.800 . 5.600 4.244 3.704 4.495 . 0 0 "[ . 1]" 1
776 1 35 LEU QD 1 40 ASN HA 2.500 . 3.300 2.443 2.022 2.928 . 0 0 "[ . 1]" 1
777 1 35 LEU QD 1 40 ASN HB3 3.200 . 6.000 3.145 1.827 3.631 . 0 0 "[ . 1]" 1
778 1 35 LEU HB2 1 35 LEU QD 2.900 . 3.900 2.211 2.147 2.285 . 0 0 "[ . 1]" 1
779 1 89 VAL HA 1 107 MET HA 2.800 . 3.800 2.328 2.000 3.070 . 0 0 "[ . 1]" 1
780 1 36 THR HA 1 36 THR HB 2.900 . 4.000 2.641 2.522 3.025 . 0 0 "[ . 1]" 1
781 1 36 THR MG 1 108 LEU QD 2.900 . 6.000 2.595 1.758 3.102 . 0 0 "[ . 1]" 1
782 1 36 THR HB 1 36 THR MG 2.300 . 3.000 2.133 2.129 2.138 . 0 0 "[ . 1]" 1
783 1 36 THR HA 1 36 THR MG 2.700 . 3.600 2.259 2.207 2.308 . 0 0 "[ . 1]" 1
784 1 36 THR MG 1 43 TYR QD 2.800 . 6.000 3.345 2.135 4.605 . 0 0 "[ . 1]" 1
785 1 37 LYS HA 1 40 ASN HA 3.500 . 5.000 3.731 2.897 4.498 . 0 0 "[ . 1]" 1
786 1 40 ASN HA 1 40 ASN HB3 2.600 . 3.400 2.501 2.395 2.602 . 0 0 "[ . 1]" 1
787 1 35 LEU QD 1 40 ASN HB2 2.800 . 6.000 3.418 2.351 4.409 . 0 0 "[ . 1]" 1
788 1 40 ASN HA 1 40 ASN HB2 2.800 . 3.800 2.707 2.295 3.027 . 0 0 "[ . 1]" 1
789 1 88 LEU HB2 1 88 LEU QD 3.100 . 4.300 2.243 2.128 2.295 . 0 0 "[ . 1]" 1
790 1 48 ILE HA 1 48 ILE MD 3.700 . 5.400 3.739 3.321 3.869 . 0 0 "[ . 1]" 1
791 1 49 ASP HA 1 49 ASP HB2 3.000 . 4.100 2.527 2.451 2.596 . 0 0 "[ . 1]" 1
792 1 51 ASP HA 1 51 ASP HB3 2.600 . 3.400 2.599 2.394 3.020 . 0 0 "[ . 1]" 1
793 1 52 GLN HA 1 52 GLN HB2 2.600 . 3.500 2.511 2.447 2.573 . 0 0 "[ . 1]" 1
794 1 57 THR HA 1 57 THR HB 2.900 . 3.900 2.545 2.510 2.579 . 0 0 "[ . 1]" 1
795 1 57 THR MG 1 67 SER HB2 3.200 . 6.000 4.030 2.802 5.125 . 0 0 "[ . 1]" 1
796 1 57 THR MG 1 67 SER HB3 2.800 . 6.000 3.472 2.023 4.464 . 0 0 "[ . 1]" 1
797 1 57 THR HA 1 57 THR MG 2.400 . 3.100 2.271 2.218 2.310 . 0 0 "[ . 1]" 1
798 1 61 ALA HA 1 61 ALA MB 2.000 . 2.500 2.127 2.118 2.137 . 0 0 "[ . 1]" 1
799 1 62 ASP HA 1 62 ASP HB2 2.900 . 4.000 2.547 2.408 3.016 . 0 0 "[ . 1]" 1
800 1 62 ASP HA 1 62 ASP HB3 2.900 . 3.900 2.805 2.394 3.033 . 0 0 "[ . 1]" 1
801 1 57 THR MG 1 67 SER HA 3.000 . 6.000 2.987 2.284 3.491 . 0 0 "[ . 1]" 1
802 1 57 THR HB 1 67 SER HA 4.200 . 6.000 4.606 4.026 5.385 . 0 0 "[ . 1]" 1
803 1 73 ARG HA 1 73 ARG HD3 2.600 . 3.400 2.914 2.191 3.197 . 0 0 "[ . 1]" 1
804 1 74 LYS HA 1 74 LYS HB3 2.700 . 3.600 2.585 2.390 3.031 . 0 0 "[ . 1]" 1
805 1 74 LYS HA 1 74 LYS HG3 2.900 . 4.000 3.650 3.083 3.912 . 0 0 "[ . 1]" 1
806 1 74 LYS HE3 1 74 LYS HG3 2.700 . 3.600 3.310 2.447 3.762 0.162 9 0 "[ . 1]" 1
807 1 74 LYS HA 1 74 LYS HD3 2.700 . 3.600 2.481 1.882 3.642 0.042 8 0 "[ . 1]" 1
808 1 75 GLN HA 1 75 GLN HB3 2.900 . 4.000 2.574 2.378 3.030 . 0 0 "[ . 1]" 1
809 1 75 GLN HA 1 75 GLN HG2 3.500 . 5.100 3.164 2.601 3.768 . 0 0 "[ . 1]" 1
810 1 75 GLN HB2 1 75 GLN HG2 2.800 . 3.800 2.626 2.412 3.012 . 0 0 "[ . 1]" 1
811 1 75 GLN HB2 1 75 GLN HG3 3.000 . 4.100 2.524 2.330 3.009 . 0 0 "[ . 1]" 1
812 1 75 GLN HG2 1 76 TYR QD 4.400 . 6.000 4.864 3.218 5.765 . 0 0 "[ . 1]" 1
813 1 76 TYR HA 1 76 TYR QD 3.100 . 4.300 2.776 2.544 3.728 . 0 0 "[ . 1]" 1
814 1 73 ARG HA 1 77 ASN HA 3.000 . 4.100 2.943 2.784 3.197 . 0 0 "[ . 1]" 1
815 1 77 ASN HA 1 77 ASN HB3 2.600 . 3.500 2.604 2.452 3.030 . 0 0 "[ . 1]" 1
816 1 77 ASN HA 1 77 ASN HB2 2.700 . 3.600 2.812 2.435 3.032 . 0 0 "[ . 1]" 1
817 1 78 GLN HA 1 78 GLN HG3 3.800 . 5.600 3.428 2.384 3.851 . 0 0 "[ . 1]" 1
818 1 78 GLN HA 1 78 GLN HG2 3.600 . 5.200 3.176 2.497 3.945 . 0 0 "[ . 1]" 1
819 1 79 GLU HA 1 79 GLU QG 2.400 . 3.100 2.551 2.293 2.879 . 0 0 "[ . 1]" 1
820 1 79 GLU QG 1 81 THR MG 2.900 . 6.000 4.399 3.929 5.014 . 0 0 "[ . 1]" 1
821 1 79 GLU HB3 1 79 GLU QG 2.300 . 6.000 2.255 2.155 2.365 . 0 0 "[ . 1]" 1
822 1 79 GLU HB2 1 79 GLU QG 2.200 . 2.800 2.367 2.327 2.407 . 0 0 "[ . 1]" 1
823 1 69 LEU HA 1 80 ILE MD 2.900 . 4.000 2.715 2.212 3.651 . 0 0 "[ . 1]" 1
824 1 80 ILE HA 1 80 ILE MD 4.300 . 6.000 4.175 4.118 4.188 . 0 0 "[ . 1]" 1
825 1 69 LEU HB3 1 80 ILE MD 2.800 . 6.000 4.205 3.648 5.570 . 0 0 "[ . 1]" 1
826 1 80 ILE MD 1 112 LEU QD 3.300 . 6.000 4.735 3.959 5.648 . 0 0 "[ . 1]" 1
827 1 72 TYR QD 1 80 ILE MD 2.800 . 6.000 3.984 2.509 5.885 . 0 0 "[ . 1]" 1
828 1 81 THR HA 1 81 THR MG 2.700 . 6.000 3.194 3.158 3.214 . 0 0 "[ . 1]" 1
829 1 81 THR HA 1 81 THR HB 2.200 . 2.800 2.355 2.286 2.437 . 0 0 "[ . 1]" 1
830 1 81 THR HB 1 81 THR MG 2.100 . 2.700 2.126 2.120 2.135 . 0 0 "[ . 1]" 1
831 1 79 GLU HB3 1 81 THR MG 2.500 . 6.000 4.689 4.617 4.882 . 0 0 "[ . 1]" 1
832 1 79 GLU HB2 1 81 THR MG 2.400 . 6.000 6.103 6.045 6.165 0.165 3 0 "[ . 1]" 1
833 1 82 ASP HA 1 82 ASP HB2 2.900 . 4.000 2.555 2.371 3.022 . 0 0 "[ . 1]" 1
834 1 82 ASP HA 1 82 ASP HB3 2.600 . 3.400 2.785 2.336 3.031 . 0 0 "[ . 1]" 1
835 1 84 LYS HA 1 84 LYS HB3 2.600 . 3.400 2.546 2.431 2.689 . 0 0 "[ . 1]" 1
836 1 84 LYS HA 1 84 LYS HG3 2.900 . 3.900 3.324 2.363 3.812 . 0 0 "[ . 1]" 1
837 1 84 LYS HE3 1 84 LYS HG3 2.600 . 3.500 2.774 2.270 3.744 0.244 10 0 "[ . 1]" 1
838 1 84 LYS HA 1 84 LYS HG2 2.900 . 3.900 3.164 2.573 3.633 . 0 0 "[ . 1]" 1
839 1 84 LYS HE3 1 84 LYS HG2 2.900 . 3.900 3.003 2.439 3.656 . 0 0 "[ . 1]" 1
840 1 84 LYS HA 1 84 LYS HD3 2.900 . 3.900 2.922 2.062 4.096 0.196 6 0 "[ . 1]" 1
841 1 84 LYS HD3 1 84 LYS HE3 2.400 . 3.100 2.756 2.451 3.022 . 0 0 "[ . 1]" 1
842 1 84 LYS HA 1 84 LYS HE3 3.000 . 6.000 4.432 2.757 5.177 . 0 0 "[ . 1]" 1
843 1 50 TRP HA 1 86 PRO HA 3.100 . 4.300 2.047 1.865 2.401 0.035 3 0 "[ . 1]" 1
844 1 86 PRO HA 1 86 PRO HB3 3.000 . 4.100 2.280 2.263 2.313 . 0 0 "[ . 1]" 1
845 1 87 VAL HA 1 87 VAL HB 2.800 . 3.800 2.517 2.471 2.573 . 0 0 "[ . 1]" 1
846 1 46 ASP HB3 1 90 SER HA 4.500 . 6.000 4.004 3.360 4.700 . 0 0 "[ . 1]" 1
847 1 97 GLY HA2 1 98 PRO HD2 2.700 . 3.600 3.062 2.514 3.691 0.091 1 0 "[ . 1]" 1
848 1 97 GLY HA3 1 98 PRO HD2 3.100 . 4.300 3.054 2.182 4.144 . 0 0 "[ . 1]" 1
849 1 98 PRO HA 1 99 GLY HA3 3.800 . 5.600 4.932 4.369 5.336 . 0 0 "[ . 1]" 1
850 1 98 PRO HA 1 99 GLY HA2 4.100 . 6.000 4.588 4.426 4.716 . 0 0 "[ . 1]" 1
851 1 101 THR HA 1 101 THR HB 2.200 . 2.800 2.543 2.447 2.790 . 0 0 "[ . 1]" 1
852 1 101 THR HB 1 101 THR MG 2.300 . 3.000 2.133 2.125 2.136 . 0 0 "[ . 1]" 1
853 1 102 LEU HB3 1 103 PRO HD3 4.100 . 6.000 3.579 1.653 4.858 0.347 2 0 "[ . 1]" 1
854 1 105 PRO HA 1 105 PRO HB3 2.400 . 3.100 2.287 2.262 2.307 . 0 0 "[ . 1]" 1
855 1 105 PRO HA 1 105 PRO HD3 4.100 . 6.000 3.748 3.415 3.948 . 0 0 "[ . 1]" 1
856 1 106 ALA MB 2 8 . H1' . . 2.600 2.647 2.593 2.687 0.087 4 0 "[ . 1]" 1
857 1 108 LEU QD 2 8 . H5' . . 2.600 2.184 1.839 2.560 0.161 3 0 "[ . 1]" 1
858 1 111 GLU HA 1 111 GLU HB3 2.800 . 3.800 2.362 2.286 2.472 . 0 0 "[ . 1]" 1
859 1 81 THR MG 1 111 GLU HA 4.000 . 6.000 6.010 5.740 6.119 0.119 3 0 "[ . 1]" 1
860 1 112 LEU HA 1 112 LEU QD 2.800 . 3.800 2.108 1.934 2.553 . 0 0 "[ . 1]" 1
861 1 112 LEU MD1 1 112 LEU MD2 2.600 . 3.400 2.085 2.069 2.093 . 0 0 "[ . 1]" 1
862 1 108 LEU HB2 1 112 LEU QD 2.800 . 6.000 4.739 4.051 5.738 . 0 0 "[ . 1]" 1
863 1 108 LEU HB3 1 112 LEU QD 3.000 . 6.000 3.310 2.516 4.436 . 0 0 "[ . 1]" 1
864 1 112 LEU HB2 1 112 LEU QD 3.000 . 4.100 2.158 2.099 2.336 . 0 0 "[ . 1]" 1
865 1 112 LEU QD 1 112 LEU HG 3.000 . 3.900 1.895 1.893 1.897 0.007 9 0 "[ . 1]" 1
866 1 112 LEU HB3 1 112 LEU QD 3.600 . 4.300 2.234 2.105 2.326 . 0 0 "[ . 1]" 1
867 1 38 TYR QR 1 112 LEU QD 3.200 . 5.200 2.269 1.840 3.164 0.160 7 0 "[ . 1]" 1
868 1 118 LEU HA 1 118 LEU HB2 3.000 . 4.100 2.699 2.389 3.021 . 0 0 "[ . 1]" 1
869 1 118 LEU HA 1 118 LEU QD 2.700 . 3.600 2.972 2.004 3.431 . 0 0 "[ . 1]" 1
870 1 118 LEU HB3 1 118 LEU QD 2.500 . 3.300 2.165 2.057 2.531 . 0 0 "[ . 1]" 1
871 1 118 LEU HB2 1 118 LEU QD 2.800 . 3.800 2.145 2.067 2.435 . 0 0 "[ . 1]" 1
872 1 118 LEU HA 1 118 LEU HG 3.100 . 4.300 2.901 2.265 4.285 . 0 0 "[ . 1]" 1
873 1 118 LEU QD 1 118 LEU HG 2.100 . 2.600 1.894 1.876 1.905 . 0 0 "[ . 1]" 1
874 1 32 LEU HA 1 119 THR HA 3.200 . 4.500 4.411 4.004 4.644 0.144 7 0 "[ . 1]" 1
875 1 32 LEU QD 1 119 THR HA 3.400 . 6.000 3.595 1.896 5.246 . 0 0 "[ . 1]" 1
876 1 119 THR HA 1 119 THR HB 2.600 . 3.400 2.547 2.440 2.648 . 0 0 "[ . 1]" 1
877 1 119 THR HB 1 119 THR MG 2.300 . 3.000 2.134 2.131 2.139 . 0 0 "[ . 1]" 1
878 1 119 THR HA 1 119 THR MG 2.500 . 3.300 2.368 2.196 3.219 . 0 0 "[ . 1]" 1
879 1 114 TYR HA 1 114 TYR QD 3.100 . 4.300 2.964 2.868 3.093 . 0 0 "[ . 1]" 1
880 1 114 TYR HA 1 114 TYR QE 4.600 . 6.000 4.492 4.407 4.587 . 0 0 "[ . 1]" 1
881 1 4 THR MG 1 114 TYR HA 3.700 . 6.000 5.203 4.739 5.764 . 0 0 "[ . 1]" 1
882 1 4 THR HA 1 114 TYR QE 3.800 . 5.600 3.664 3.425 3.959 . 0 0 "[ . 1]" 1
883 1 4 THR HA 1 114 TYR QD 3.500 . 5.000 3.512 3.151 3.887 . 0 0 "[ . 1]" 1
884 1 4 THR HB 1 114 TYR QE 4.300 . 6.000 3.315 2.148 4.852 . 0 0 "[ . 1]" 1
885 1 5 VAL HA 1 8 PHE HB3 3.100 . 4.300 2.872 2.417 3.200 . 0 0 "[ . 1]" 1
886 1 5 VAL HA 1 8 PHE HA 4.600 . 6.000 5.464 5.138 5.679 . 0 0 "[ . 1]" 1
887 1 5 VAL HA 1 8 PHE QD 4.200 . 6.000 4.402 3.840 4.811 . 0 0 "[ . 1]" 1
888 1 7 ASP HA 1 10 PHE QD 4.000 . 6.000 4.001 3.742 4.826 . 0 0 "[ . 1]" 1
889 1 6 LEU QD 1 7 ASP HA 3.300 . 6.000 4.148 3.203 5.093 . 0 0 "[ . 1]" 1
890 1 3 GLU HA 1 114 TYR QE 3.500 . 5.100 3.128 2.290 3.732 . 0 0 "[ . 1]" 1
891 1 3 GLU QB 1 7 ASP HB2 4.600 . 6.000 4.983 3.133 6.033 0.033 4 0 "[ . 1]" 1
892 1 3 GLU QB 1 7 ASP HB3 4.300 . 6.000 4.360 3.006 5.383 . 0 0 "[ . 1]" 1
893 1 3 GLU HB3 1 114 TYR QE 4.400 . 6.000 5.694 4.963 6.043 0.043 4 0 "[ . 1]" 1
894 1 3 GLU HB2 1 114 TYR QE 4.300 . 6.000 5.492 4.595 6.023 0.023 4 0 "[ . 1]" 1
895 1 3 GLU QG 1 114 TYR QE 4.300 . 6.000 5.036 4.299 5.645 . 0 0 "[ . 1]" 1
896 1 3 GLU QG 1 114 TYR QD 4.200 . 6.000 5.402 4.745 5.655 . 0 0 "[ . 1]" 1
897 1 8 PHE HA 1 29 LEU MD1 4.200 . 6.000 6.345 5.686 6.987 0.987 2 4 "[ + *.* - 1]" 1
898 1 8 PHE HB3 1 8 PHE QD 3.000 . 4.100 2.342 2.307 2.366 . 0 0 "[ . 1]" 1
899 1 8 PHE HB3 1 29 LEU MD1 3.300 . 6.000 4.047 3.414 4.742 . 0 0 "[ . 1]" 1
900 1 8 PHE HB2 1 8 PHE QD 3.100 . 4.300 2.442 2.415 2.487 . 0 0 "[ . 1]" 1
901 1 8 PHE HB2 1 29 LEU MD1 3.900 . 5.800 5.128 4.487 5.938 0.138 2 0 "[ . 1]" 1
902 1 8 PHE HZ 1 115 LEU QD 2.200 . 6.000 5.333 4.799 5.623 . 0 0 "[ . 1]" 1
903 1 9 MET HA 1 12 LEU QD 4.000 . 6.000 3.434 3.162 4.064 . 0 0 "[ . 1]" 1
904 1 9 MET HA 1 12 LEU HB3 3.500 . 5.100 2.688 2.429 2.972 . 0 0 "[ . 1]" 1
905 1 8 PHE QD 1 9 MET HA 3.600 . 5.200 3.282 3.145 3.473 . 0 0 "[ . 1]" 1
906 1 18 GLU HA 1 21 PHE HZ 4.800 . 6.000 6.134 6.009 6.256 0.256 10 0 "[ . 1]" 1
907 1 9 MET HA 1 21 PHE QE 3.500 . 6.000 2.875 2.601 3.220 . 0 0 "[ . 1]" 1
908 1 8 PHE QD 1 9 MET QB 4.100 . 6.000 3.333 3.160 3.533 . 0 0 "[ . 1]" 1
909 1 9 MET QB 1 21 PHE HZ 3.300 . 4.600 2.466 2.067 3.039 . 0 0 "[ . 1]" 1
910 1 9 MET QB 1 21 PHE QE 3.800 . 5.600 2.915 2.655 3.193 . 0 0 "[ . 1]" 1
911 1 7 ASP HA 1 10 PHE HB2 3.400 . 4.900 3.472 3.196 3.808 . 0 0 "[ . 1]" 1
912 1 6 LEU QD 1 10 PHE HB3 3.300 . 6.000 4.552 3.378 5.789 . 0 0 "[ . 1]" 1
913 1 6 LEU QD 1 10 PHE HB2 3.300 . 6.000 3.547 2.324 4.918 . 0 0 "[ . 1]" 1
914 1 11 ASN HA 1 14 GLN QG 3.200 . 4.500 2.801 2.246 3.644 . 0 0 "[ . 1]" 1
915 1 8 PHE HA 1 11 ASN HB3 3.300 . 4.600 3.075 2.820 4.240 . 0 0 "[ . 1]" 1
916 1 8 PHE HA 1 11 ASN HB2 3.400 . 4.800 3.627 2.636 4.097 . 0 0 "[ . 1]" 1
917 1 12 LEU HA 1 21 PHE QE 5.100 . 6.000 4.871 4.626 5.338 . 0 0 "[ . 1]" 1
918 1 9 MET HA 1 12 LEU HB2 3.500 . 5.000 3.099 2.489 3.542 . 0 0 "[ . 1]" 1
919 1 12 LEU HB3 1 21 PHE QE 3.000 . 6.000 2.082 1.839 2.413 . 0 0 "[ . 1]" 1
920 1 12 LEU HB2 1 21 PHE QE 3.800 . 6.000 3.663 3.361 3.747 . 0 0 "[ . 1]" 1
921 1 12 LEU HB3 1 21 PHE QD 3.200 . 6.000 2.906 2.056 3.387 . 0 0 "[ . 1]" 1
922 1 12 LEU HB2 1 21 PHE QD 4.700 . 6.000 4.241 3.612 4.617 . 0 0 "[ . 1]" 1
923 1 12 LEU HB3 1 21 PHE HZ 4.600 . 6.000 4.414 4.280 4.756 . 0 0 "[ . 1]" 1
924 1 12 LEU HB2 1 21 PHE HZ 5.200 . 6.000 5.981 5.614 6.078 0.078 4 0 "[ . 1]" 1
925 1 8 PHE QE 1 12 LEU HB2 4.000 . 6.000 4.231 4.015 4.536 . 0 0 "[ . 1]" 1
926 1 12 LEU HG 1 21 PHE QD 3.200 . 6.000 2.186 1.751 3.755 . 0 0 "[ . 1]" 1
927 1 12 LEU HG 1 21 PHE HZ 4.500 . 6.000 5.676 5.432 6.038 0.038 3 0 "[ . 1]" 1
928 1 8 PHE QE 1 12 LEU HG 4.400 . 6.000 5.554 4.132 6.025 0.025 4 0 "[ . 1]" 1
929 1 12 LEU HG 1 21 PHE QE 3.700 . 6.000 3.339 2.973 3.750 . 0 0 "[ . 1]" 1
930 1 12 LEU QD 1 21 PHE QE 3.200 . 6.000 2.580 2.237 3.588 . 0 0 "[ . 1]" 1
931 1 12 LEU QD 1 21 PHE QD 3.200 . 6.000 2.244 1.538 2.691 . 0 0 "[ . 1]" 1
932 1 13 TYR HA 1 13 TYR QE 4.500 . 6.000 4.597 4.360 4.731 . 0 0 "[ . 1]" 1
933 1 13 TYR HA 1 21 PHE QE 3.500 . 5.100 3.647 3.329 4.084 . 0 0 "[ . 1]" 1
934 1 10 PHE HA 1 13 TYR HB3 3.200 . 4.500 2.781 2.356 3.273 . 0 0 "[ . 1]" 1
935 1 13 TYR HB3 1 13 TYR QD 3.000 . 4.100 2.348 2.260 2.614 . 0 0 "[ . 1]" 1
936 1 13 TYR HB3 1 21 PHE HZ 4.700 . 6.000 4.850 4.283 5.512 . 0 0 "[ . 1]" 1
937 1 13 TYR HB2 1 21 PHE HZ 3.500 . 5.000 3.204 2.760 3.796 . 0 0 "[ . 1]" 1
938 1 13 TYR HB3 1 21 PHE QE 4.900 . 6.000 4.548 4.280 4.991 . 0 0 "[ . 1]" 1
939 1 13 TYR HB2 1 21 PHE QE 3.600 . 5.200 3.208 2.932 3.504 . 0 0 "[ . 1]" 1
940 1 13 TYR QD 1 14 GLN HA 3.600 . 5.200 3.740 2.890 4.519 . 0 0 "[ . 1]" 1
941 1 13 TYR QD 1 14 GLN QG 3.600 . 5.200 4.223 3.208 5.007 . 0 0 "[ . 1]" 1
942 1 10 PHE QR 1 14 GLN QG 3.000 . 6.000 3.649 2.892 4.060 . 0 0 "[ . 1]" 1
943 1 15 GLN HG3 1 16 THR HA 3.700 . 5.400 4.673 4.122 5.750 0.350 2 0 "[ . 1]" 1
944 1 16 THR HB 1 21 PHE QD 3.300 . 6.000 3.174 2.851 3.736 . 0 0 "[ . 1]" 1
945 1 13 TYR HA 1 16 THR HB 3.500 . 5.100 3.660 3.056 4.376 . 0 0 "[ . 1]" 1
946 1 16 THR HB 1 21 PHE HB2 3.300 . 4.600 2.321 1.973 2.992 0.027 4 0 "[ . 1]" 1
947 1 16 THR HB 1 21 PHE HA 3.900 . 5.800 3.503 2.973 3.881 . 0 0 "[ . 1]" 1
948 1 16 THR HB 1 21 PHE QE 4.600 . 6.000 5.251 4.921 5.877 . 0 0 "[ . 1]" 1
949 1 12 LEU HG 1 16 THR HB 3.500 . 5.100 3.483 2.875 5.169 0.069 3 0 "[ . 1]" 1
950 1 16 THR HB 1 21 PHE HB3 4.800 . 6.000 3.927 3.229 4.733 . 0 0 "[ . 1]" 1
951 1 16 THR MG 1 21 PHE QE 4.300 . 6.000 5.683 5.318 6.089 0.089 2 0 "[ . 1]" 1
952 1 13 TYR QE 1 18 GLU HA 3.800 . 6.000 3.243 2.366 4.383 . 0 0 "[ . 1]" 1
953 1 18 GLU HA 1 21 PHE QD 3.200 . 4.400 2.630 2.305 3.129 . 0 0 "[ . 1]" 1
954 1 13 TYR QE 1 18 GLU HB3 3.800 . 5.600 3.195 1.947 4.688 0.053 3 0 "[ . 1]" 1
955 1 18 GLU HB3 1 21 PHE QD 4.800 . 6.000 4.534 4.033 5.100 . 0 0 "[ . 1]" 1
956 1 19 HIS HA 1 19 HIS HD2 4.300 . 6.000 4.754 4.378 4.921 . 0 0 "[ . 1]" 1
957 1 19 HIS HA 1 19 HIS HB3 2.700 . 3.600 2.464 2.396 2.551 . 0 0 "[ . 1]" 1
958 1 19 HIS HA 1 19 HIS HB2 2.600 . 3.400 2.422 2.351 2.503 . 0 0 "[ . 1]" 1
959 1 13 TYR QE 1 18 GLU HB2 3.600 . 5.200 3.125 2.050 4.791 . 0 0 "[ . 1]" 1
960 1 18 GLU HB2 1 21 PHE QD 4.400 . 6.000 4.250 3.556 5.368 . 0 0 "[ . 1]" 1
961 1 13 TYR QD 1 18 GLU QG 4.400 . 6.000 4.577 3.099 5.981 . 0 0 "[ . 1]" 1
962 1 13 TYR QE 1 18 GLU QG 3.500 . 6.000 3.190 1.782 4.880 . 0 0 "[ . 1]" 1
963 1 18 GLU QG 1 21 PHE QD 4.300 . 6.000 4.283 2.800 5.389 . 0 0 "[ . 1]" 1
964 1 17 GLU QB 1 19 HIS HE1 3.600 . 4.300 2.595 2.027 3.943 . 0 0 "[ . 1]" 1
965 1 20 LYS HA 1 20 LYS HB3 2.700 . 3.600 2.562 2.428 2.987 . 0 0 "[ . 1]" 1
966 1 20 LYS HB2 1 20 LYS QG 2.800 . 3.700 2.202 2.141 2.425 . 0 0 "[ . 1]" 1
967 1 19 HIS HD2 1 20 LYS QG 3.700 . 5.500 3.690 3.006 4.770 . 0 0 "[ . 1]" 1
968 1 20 LYS HA 1 20 LYS QG 3.000 . 4.100 2.831 2.470 2.977 . 0 0 "[ . 1]" 1
969 1 20 LYS HA 1 20 LYS HD3 2.300 . 3.000 2.224 1.765 3.077 0.077 1 0 "[ . 1]" 1
970 1 19 HIS HD2 1 20 LYS HD3 3.100 . 4.300 3.400 2.412 4.114 . 0 0 "[ . 1]" 1
971 1 19 HIS HE1 1 20 LYS HD3 4.200 . 6.000 5.260 4.292 5.561 . 0 0 "[ . 1]" 1
972 1 20 LYS HD3 1 20 LYS QE 2.100 . 2.600 2.265 2.172 2.380 . 0 0 "[ . 1]" 1
973 1 20 LYS HD3 1 20 LYS QG 2.500 . 3.300 2.351 2.295 2.425 . 0 0 "[ . 1]" 1
974 1 19 HIS HD2 1 20 LYS QE 3.000 . 4.100 2.907 2.400 3.659 . 0 0 "[ . 1]" 1
975 1 19 HIS HE1 1 20 LYS QE 3.800 . 5.600 4.110 3.068 5.396 . 0 0 "[ . 1]" 1
976 1 17 GLU QG 1 20 LYS HA 3.900 . 5.800 4.329 4.012 4.863 . 0 0 "[ . 1]" 1
977 1 17 GLU QG 1 20 LYS QE 3.800 . 5.600 4.094 2.431 4.795 . 0 0 "[ . 1]" 1
978 1 17 GLU QG 1 20 LYS QG 3.400 . 4.900 2.523 2.023 3.313 . 0 0 "[ . 1]" 1
979 1 21 PHE QD 1 22 GLN HG3 3.700 . 5.400 3.354 2.475 4.957 . 0 0 "[ . 1]" 1
980 1 22 GLN HB3 1 50 TRP HD1 4.000 . 6.000 5.734 4.735 6.083 0.083 1 0 "[ . 1]" 1
981 1 22 GLN HB3 1 50 TRP HZ2 4.100 . 6.000 4.429 3.511 5.077 . 0 0 "[ . 1]" 1
982 1 21 PHE QD 1 22 GLN HG2 3.900 . 6.000 3.678 3.208 4.225 . 0 0 "[ . 1]" 1
983 1 9 MET ME 1 50 TRP HE3 3.800 . 6.000 5.583 4.398 6.007 0.007 1 0 "[ . 1]" 1
984 1 12 LEU QD 1 24 GLN HB3 3.000 . 5.600 2.483 2.142 3.202 . 0 0 "[ . 1]" 1
985 1 21 PHE HA 1 24 GLN HB3 3.300 . 4.700 2.944 2.147 4.132 . 0 0 "[ . 1]" 1
986 1 21 PHE HA 1 24 GLN HB2 3.100 . 4.300 2.658 1.979 3.222 . 0 0 "[ . 1]" 1
987 1 12 LEU QD 1 24 GLN HB2 3.500 . 6.000 3.268 2.274 3.943 . 0 0 "[ . 1]" 1
988 1 25 VAL HA 1 28 GLU HB2 3.200 . 4.500 3.229 2.865 3.656 . 0 0 "[ . 1]" 1
989 1 8 PHE HZ 1 25 VAL HA 4.600 . 6.000 5.860 5.086 6.048 0.048 5 0 "[ . 1]" 1
990 1 27 LYS HD3 1 27 LYS QE 2.000 . 2.500 2.261 2.163 2.369 . 0 0 "[ . 1]" 1
991 1 27 LYS QE 1 27 LYS HG3 2.600 . 3.500 2.755 2.333 3.510 0.010 7 0 "[ . 1]" 1
992 1 26 SER HA 1 30 ILE MD 2.700 . 6.000 2.904 2.189 3.364 . 0 0 "[ . 1]" 1
993 1 26 SER HB3 1 30 ILE MD 2.700 . 6.000 3.086 2.232 4.040 . 0 0 "[ . 1]" 1
994 1 30 ILE MD 1 46 ASP HA 3.400 . 6.000 4.521 3.987 4.956 . 0 0 "[ . 1]" 1
995 1 8 PHE QD 1 28 GLU HA 4.800 . 6.000 5.085 4.359 5.786 . 0 0 "[ . 1]" 1
996 1 8 PHE QE 1 28 GLU HA 4.700 . 6.000 5.391 4.999 6.091 0.091 5 0 "[ . 1]" 1
997 1 8 PHE QD 1 28 GLU HB3 3.300 . 4.600 2.838 1.993 3.563 0.007 2 0 "[ . 1]" 1
998 1 8 PHE QE 1 28 GLU HB3 3.600 . 5.200 3.405 2.844 4.225 . 0 0 "[ . 1]" 1
999 1 8 PHE QD 1 28 GLU HB2 4.400 . 6.000 3.516 2.743 3.875 . 0 0 "[ . 1]" 1
1000 1 8 PHE QE 1 28 GLU HB2 3.900 . 5.800 2.997 2.607 3.486 . 0 0 "[ . 1]" 1
1001 1 28 GLU HB2 1 29 LEU MD1 3.700 . 5.500 4.569 4.144 4.936 . 0 0 "[ . 1]" 1
1002 1 28 GLU HB3 1 29 LEU MD1 4.400 . 6.000 5.116 4.265 5.772 . 0 0 "[ . 1]" 1
1003 1 8 PHE QD 1 28 GLU HG3 3.600 . 5.200 3.789 3.006 4.676 . 0 0 "[ . 1]" 1
1004 1 8 PHE QE 1 28 GLU HG3 3.600 . 6.000 4.194 3.629 4.817 . 0 0 "[ . 1]" 1
1005 1 8 PHE QD 1 29 LEU HB3 5.000 . 6.000 5.725 4.847 6.001 0.001 10 0 "[ . 1]" 1
1006 1 8 PHE QD 1 29 LEU HB2 5.200 . 6.000 5.462 3.385 5.881 . 0 0 "[ . 1]" 1
1007 1 29 LEU HB3 1 29 LEU HG 2.800 . 3.800 2.663 2.398 3.023 . 0 0 "[ . 1]" 1
1008 1 29 LEU HB3 1 29 LEU MD1 2.900 . 4.000 2.447 2.315 3.202 . 0 0 "[ . 1]" 1
1009 1 8 PHE QD 1 29 LEU HG 3.700 . 5.400 4.111 3.607 4.793 . 0 0 "[ . 1]" 1
1010 1 32 LEU HB2 1 32 LEU HG 2.900 . 4.000 2.728 2.420 3.020 . 0 0 "[ . 1]" 1
1011 1 29 LEU MD2 1 29 LEU HG 2.300 . 3.000 2.127 2.122 2.131 . 0 0 "[ . 1]" 1
1012 1 116 THR HB 1 118 LEU QD 3.100 . 6.000 2.962 2.044 3.974 . 0 0 "[ . 1]" 1
1013 1 32 LEU QD 1 119 THR HB 3.300 . 4.600 3.043 1.580 4.510 0.420 6 0 "[ . 1]" 1
1014 1 35 LEU HA 1 41 LYS QB 4.000 . 6.000 4.746 4.495 5.222 . 0 0 "[ . 1]" 1
1015 1 35 LEU HB2 1 42 THR MG 4.600 . 6.000 4.462 3.275 4.846 . 0 0 "[ . 1]" 1
1016 1 35 LEU HB2 1 41 LYS QB 3.900 . 5.800 5.148 4.817 5.467 . 0 0 "[ . 1]" 1
1017 1 35 LEU HB3 1 118 LEU QD 4.200 . 6.000 5.891 5.587 6.107 0.107 10 0 "[ . 1]" 1
1018 1 35 LEU HB3 1 42 THR MG 4.100 . 6.000 5.042 3.116 6.084 0.084 9 0 "[ . 1]" 1
1019 1 35 LEU HA 1 35 LEU HG 3.800 . 5.600 3.612 3.240 4.291 . 0 0 "[ . 1]" 1
1020 1 35 LEU HG 1 114 TYR QD 4.500 . 6.000 5.816 5.003 6.120 0.120 7 0 "[ . 1]" 1
1021 1 35 LEU HG 1 40 ASN HB3 4.200 . 6.000 4.834 4.133 5.635 . 0 0 "[ . 1]" 1
1022 1 35 LEU HG 1 40 ASN HB2 4.300 . 6.000 4.978 3.601 5.735 . 0 0 "[ . 1]" 1
1023 1 35 LEU HG 1 42 THR MG 3.600 . 6.000 6.068 5.383 6.254 0.254 9 0 "[ . 1]" 1
1024 1 35 LEU QD 1 114 TYR QD 3.500 . 5.200 3.589 3.323 3.968 . 0 0 "[ . 1]" 1
1025 1 35 LEU QD 1 114 TYR QE 4.000 . 6.000 5.145 4.771 5.538 . 0 0 "[ . 1]" 1
1026 1 35 LEU QD 1 114 TYR HB3 3.700 . 5.400 2.497 2.205 2.741 . 0 0 "[ . 1]" 1
1027 1 35 LEU QD 1 114 TYR HB2 3.000 . 4.100 2.267 1.905 2.854 . 0 0 "[ . 1]" 1
1028 1 36 THR MG 1 43 TYR QE 3.300 . 6.000 3.897 2.735 5.908 . 0 0 "[ . 1]" 1
1029 1 38 TYR HA 1 38 TYR HB3 3.000 . 4.100 2.474 2.294 2.630 . 0 0 "[ . 1]" 1
1030 1 38 TYR HA 1 38 TYR QD 4.300 . 6.000 3.555 2.818 3.750 . 0 0 "[ . 1]" 1
1031 1 35 LEU HG 1 40 ASN HA 3.100 . 4.300 3.211 2.447 4.370 0.070 6 0 "[ . 1]" 1
1032 1 41 LYS QB 1 42 THR HA 3.000 . 4.100 4.098 3.953 4.208 0.108 6 0 "[ . 1]" 1
1033 1 41 LYS QG 1 42 THR HA 3.300 . 6.000 4.894 4.064 5.631 . 0 0 "[ . 1]" 1
1034 1 41 LYS QG 1 42 THR HB 3.100 . 6.000 5.454 4.311 5.777 . 0 0 "[ . 1]" 1
1035 1 43 TYR HA 1 108 LEU QD 3.400 . 6.000 5.427 4.479 5.918 . 0 0 "[ . 1]" 1
1036 1 43 TYR HA 1 43 TYR QD 3.700 . 5.400 2.717 2.333 3.112 . 0 0 "[ . 1]" 1
1037 1 30 ILE HA 1 45 VAL HB 3.200 . 4.500 2.523 2.046 3.417 . 0 0 "[ . 1]" 1
1038 1 48 ILE HA 1 88 LEU QD 3.600 . 5.200 3.667 3.374 4.471 . 0 0 "[ . 1]" 1
1039 1 71 TYR HA 1 72 TYR QD 4.400 . 6.000 6.112 5.882 6.289 0.289 5 0 "[ . 1]" 1
1040 1 71 TYR HA 1 71 TYR QD 4.000 . 6.000 2.729 2.518 3.118 . 0 0 "[ . 1]" 1
1041 1 48 ILE HB 1 88 LEU QD 4.500 . 6.000 4.987 4.461 5.597 . 0 0 "[ . 1]" 1
1042 1 30 ILE MD 1 48 ILE HB 4.100 . 6.000 3.925 3.357 5.082 . 0 0 "[ . 1]" 1
1043 1 26 SER HA 1 48 ILE HB 4.400 . 6.000 4.282 3.811 4.885 . 0 0 "[ . 1]" 1
1044 1 48 ILE HB 1 50 TRP HD1 4.000 . 6.000 4.297 3.848 4.569 . 0 0 "[ . 1]" 1
1045 1 48 ILE MD 1 50 TRP HD1 4.300 . 6.000 5.573 5.317 5.929 . 0 0 "[ . 1]" 1
1046 1 48 ILE MD 1 50 TRP HH2 4.100 . 6.000 5.671 5.305 6.016 0.016 8 0 "[ . 1]" 1
1047 1 48 ILE MD 1 88 LEU QD 2.400 . 6.000 3.461 2.775 4.144 . 0 0 "[ . 1]" 1
1048 1 29 LEU HB3 1 48 ILE MD 3.400 . 4.800 2.798 2.320 3.249 . 0 0 "[ . 1]" 1
1049 1 49 ASP HA 1 50 TRP HD1 4.100 . 6.000 2.831 2.405 3.164 . 0 0 "[ . 1]" 1
1050 1 50 TRP HA 1 50 TRP HD1 3.700 . 5.400 3.783 3.622 3.996 . 0 0 "[ . 1]" 1
1051 1 50 TRP HA 1 50 TRP HE3 3.600 . 5.200 3.786 3.495 4.033 . 0 0 "[ . 1]" 1
1052 1 68 PHE HA 1 68 PHE QD 3.400 . 4.800 2.722 2.348 3.005 . 0 0 "[ . 1]" 1
1053 1 58 PHE QE 1 68 PHE HA 3.600 . 5.200 2.286 1.940 2.855 0.060 6 0 "[ . 1]" 1
1054 1 68 PHE HA 1 68 PHE HZ 4.600 . 6.000 5.761 5.588 5.971 . 0 0 "[ . 1]" 1
1055 1 68 PHE HB3 1 109 ILE MD 3.900 . 5.800 3.588 3.095 4.180 . 0 0 "[ . 1]" 1
1056 1 54 PRO HA 1 68 PHE QD 3.400 . 4.800 2.264 1.969 3.015 0.031 10 0 "[ . 1]" 1
1057 1 54 PRO HA 1 68 PHE HB3 4.800 . 6.000 3.706 2.803 4.775 . 0 0 "[ . 1]" 1
1058 1 54 PRO HA 1 68 PHE HB2 3.400 . 4.900 2.403 1.891 3.388 0.009 2 0 "[ . 1]" 1
1059 1 54 PRO HA 1 109 ILE MD 3.900 . 6.000 4.339 3.274 5.055 . 0 0 "[ . 1]" 1
1060 1 56 SER HA 1 68 PHE QD 4.300 . 6.000 5.415 4.521 5.950 . 0 0 "[ . 1]" 1
1061 1 56 SER HA 1 57 THR MG 3.700 . 5.400 3.700 3.471 3.848 . 0 0 "[ . 1]" 1
1062 1 56 SER HB3 1 57 THR MG 4.500 . 6.000 5.410 4.971 5.700 . 0 0 "[ . 1]" 1
1063 1 57 THR HA 1 67 SER HB2 4.400 . 6.000 4.778 3.904 5.770 . 0 0 "[ . 1]" 1
1064 1 57 THR HA 1 67 SER HB3 4.300 . 6.000 4.431 3.232 5.672 . 0 0 "[ . 1]" 1
1065 1 57 THR HB 1 65 GLU HB3 3.000 . 4.100 2.598 1.893 4.157 0.057 8 0 "[ . 1]" 1
1066 1 58 PHE HA 1 58 PHE QD 3.700 . 5.400 3.181 2.271 3.743 . 0 0 "[ . 1]" 1
1067 1 58 PHE HA 1 58 PHE HB3 3.000 . 4.100 2.453 2.415 2.508 . 0 0 "[ . 1]" 1
1068 1 2 SER HB3 1 115 LEU QD 3.600 . 6.000 5.470 4.654 6.129 0.129 1 0 "[ . 1]" 1
1069 1 2 SER HB3 1 114 TYR QE 3.400 . 6.000 5.234 3.287 6.473 0.473 3 0 "[ . 1]" 1
1070 1 2 SER HB3 1 114 TYR QD 3.500 . 6.000 3.612 2.073 4.932 . 0 0 "[ . 1]" 1
1071 1 2 SER HB3 1 114 TYR HB3 3.700 . 5.400 4.007 2.597 5.305 . 0 0 "[ . 1]" 1
1072 1 2 SER HA 1 114 TYR HB3 2.600 . 6.000 4.403 3.464 5.348 . 0 0 "[ . 1]" 1
1073 1 2 SER HA 1 114 TYR QE 4.000 . 6.000 5.485 4.742 6.147 0.147 2 0 "[ . 1]" 1
1074 1 57 THR MG 1 66 VAL HA 3.700 . 6.000 3.709 3.533 3.966 . 0 0 "[ . 1]" 1
1075 1 69 LEU HB3 1 69 LEU MD1 2.900 . 3.900 3.122 2.580 3.199 . 0 0 "[ . 1]" 1
1076 1 69 LEU HB2 1 69 LEU MD1 2.800 . 3.800 2.297 2.172 2.376 . 0 0 "[ . 1]" 1
1077 1 72 TYR HA 1 72 TYR QD 3.400 . 4.800 2.836 2.043 3.709 . 0 0 "[ . 1]" 1
1078 1 72 TYR HA 1 76 TYR QD 4.100 . 6.000 5.291 4.491 5.787 . 0 0 "[ . 1]" 1
1079 1 72 TYR HA 1 75 GLN HB2 3.600 . 5.200 3.515 2.747 5.115 . 0 0 "[ . 1]" 1
1080 1 74 LYS HA 1 74 LYS HB2 2.600 . 3.400 2.899 2.379 3.024 . 0 0 "[ . 1]" 1
1081 1 75 GLN HA 1 75 GLN HG3 3.700 . 5.400 3.525 3.105 3.826 . 0 0 "[ . 1]" 1
1082 1 75 GLN HB3 1 76 TYR QD 3.500 . 5.000 3.206 2.708 4.608 . 0 0 "[ . 1]" 1
1083 1 75 GLN HB2 1 76 TYR QD 4.000 . 6.000 3.562 2.579 4.753 . 0 0 "[ . 1]" 1
1084 1 75 GLN HG3 1 76 TYR QD 4.100 . 6.000 4.197 2.204 5.479 . 0 0 "[ . 1]" 1
1085 1 72 TYR QD 1 76 TYR HA 4.300 . 6.000 5.734 5.098 6.061 0.061 2 0 "[ . 1]" 1
1086 1 76 TYR HB2 1 76 TYR QD 3.800 . 5.600 2.336 2.287 2.546 . 0 0 "[ . 1]" 1
1087 1 73 ARG HA 1 77 ASN HB3 4.300 . 6.000 5.385 4.947 6.036 0.036 9 0 "[ . 1]" 1
1088 1 73 ARG HA 1 77 ASN HB2 4.800 . 6.000 5.549 5.005 5.981 . 0 0 "[ . 1]" 1
1089 1 73 ARG HB2 1 77 ASN HA 3.200 . 4.500 4.569 4.503 4.610 0.110 6 0 "[ . 1]" 1
1090 1 69 LEU MD1 1 80 ILE HB 3.300 . 6.000 5.031 4.355 6.020 0.020 9 0 "[ . 1]" 1
1091 1 68 PHE HZ 1 80 ILE MD 4.100 . 6.000 6.089 5.980 6.138 0.138 1 0 "[ . 1]" 1
1092 1 83 LEU HB2 1 83 LEU QD 3.200 . 3.800 2.193 2.082 2.293 . 0 0 "[ . 1]" 1
1093 1 83 LEU HA 1 83 LEU QD 2.800 . 3.600 2.290 1.815 3.026 . 0 0 "[ . 1]" 1
1094 1 79 GLU QG 1 81 THR HB 3.300 . 4.700 3.773 3.095 4.595 . 0 0 "[ . 1]" 1
1095 1 83 LEU QD 1 109 ILE MD 3.000 . 6.000 5.126 4.259 5.513 . 0 0 "[ . 1]" 1
1096 1 50 TRP HE3 1 86 PRO HA 4.600 . 6.000 4.955 4.385 5.228 . 0 0 "[ . 1]" 1
1097 1 86 PRO HA 1 86 PRO HD3 4.000 . 6.000 3.834 3.692 3.925 . 0 0 "[ . 1]" 1
1098 1 50 TRP HA 1 86 PRO HD3 4.000 . 6.000 4.510 4.216 4.721 . 0 0 "[ . 1]" 1
1099 1 50 TRP HZ3 1 86 PRO HD3 4.000 . 6.000 4.748 3.115 5.199 . 0 0 "[ . 1]" 1
1100 1 52 GLN HB2 1 52 GLN QG 3.600 . 5.200 2.336 2.272 2.400 . 0 0 "[ . 1]" 1
1101 1 88 LEU HA 1 88 LEU HG 3.900 . 5.800 3.249 2.483 3.718 . 0 0 "[ . 1]" 1
1102 1 89 VAL HA 1 107 MET HG2 4.600 . 6.000 5.609 5.190 5.834 . 0 0 "[ . 1]" 1
1103 1 47 ASP HB2 1 89 VAL HB 3.600 . 5.200 3.513 2.198 4.655 . 0 0 "[ . 1]" 1
1104 1 47 ASP HB3 1 89 VAL HB 3.500 . 5.000 2.788 1.977 4.878 0.023 4 0 "[ . 1]" 1
1105 1 90 SER HB2 1 108 LEU QD 4.000 . 6.000 4.339 3.549 5.324 . 0 0 "[ . 1]" 1
1106 1 90 SER HB2 1 106 ALA MB 3.400 . 4.900 3.538 2.302 4.552 . 0 0 "[ . 1]" 1
1107 1 5 VAL HB 1 110 PRO HA 3.500 . 5.100 3.469 2.827 5.101 0.001 3 0 "[ . 1]" 1
1108 1 6 LEU MD2 1 110 PRO HA 4.700 . 6.000 5.280 4.057 6.038 0.038 9 0 "[ . 1]" 1
1109 1 88 LEU QD 1 110 PRO HA 3.500 . 5.000 2.525 2.165 2.983 . 0 0 "[ . 1]" 1
1110 1 97 GLY HA2 1 98 PRO HG3 5.000 . 6.000 5.034 4.166 5.940 . 0 0 "[ . 1]" 1
1111 1 97 GLY HA2 1 99 GLY HA3 4.000 . 6.000 5.688 4.921 6.992 0.992 7 2 "[ -. + 1]" 1
1112 1 102 LEU HG 1 103 PRO HD2 4.000 . 6.000 4.820 3.896 5.902 . 0 0 "[ . 1]" 1
1113 1 102 LEU HB3 1 103 PRO HD2 3.500 . 5.000 3.604 2.699 4.359 . 0 0 "[ . 1]" 1
1114 1 102 LEU MD1 1 103 PRO HD2 3.900 . 6.000 4.500 3.371 5.624 . 0 0 "[ . 1]" 1
1115 1 102 LEU MD2 1 103 PRO HD2 3.700 . 5.400 4.345 3.063 5.097 . 0 0 "[ . 1]" 1
1116 1 102 LEU MD1 1 103 PRO HD3 4.400 . 6.000 4.643 3.304 5.876 . 0 0 "[ . 1]" 1
1117 1 102 LEU MD2 1 103 PRO HD3 4.300 . 6.000 4.027 3.135 5.158 . 0 0 "[ . 1]" 1
1118 1 102 LEU HA 1 102 LEU MD1 3.100 . 6.000 3.130 1.861 4.092 . 0 0 "[ . 1]" 1
1119 1 102 LEU HB3 1 102 LEU MD1 2.500 . 3.300 2.727 2.349 3.208 . 0 0 "[ . 1]" 1
1120 1 102 LEU HB3 1 102 LEU MD2 2.200 . 6.000 2.407 2.246 3.204 . 0 0 "[ . 1]" 1
1121 1 102 LEU MD2 1 102 LEU HG 2.000 . 2.500 2.127 2.122 2.131 . 0 0 "[ . 1]" 1
1122 1 101 THR HA 1 102 LEU MD2 4.300 . 6.000 4.821 3.588 6.124 0.124 2 0 "[ . 1]" 1
1123 1 105 PRO HA 1 105 PRO HD2 4.300 . 6.000 4.013 3.896 4.095 . 0 0 "[ . 1]" 1
1124 1 43 TYR QD 1 106 ALA MB 3.200 . 6.000 4.626 4.234 5.212 . 0 0 "[ . 1]" 1
1125 1 90 SER HB3 1 106 ALA MB 3.600 . 5.300 3.485 2.081 4.285 . 0 0 "[ . 1]" 1
1126 1 107 MET HA 1 107 MET HG2 3.800 . 5.600 3.745 3.712 3.791 . 0 0 "[ . 1]" 1
1127 1 107 MET HA 1 107 MET ME 4.500 . 6.000 4.201 4.121 4.285 . 0 0 "[ . 1]" 1
1128 1 68 PHE HZ 1 107 MET HA 4.700 . 6.000 5.096 4.838 5.587 . 0 0 "[ . 1]" 1
1129 1 68 PHE HZ 1 107 MET ME 4.000 . 6.000 4.789 4.465 5.049 . 0 0 "[ . 1]" 1
1130 1 68 PHE QE 1 107 MET ME 3.100 . 6.000 4.658 4.259 5.112 . 0 0 "[ . 1]" 1
1131 1 68 PHE HZ 1 107 MET HB3 4.200 . 6.000 4.818 4.545 4.924 . 0 0 "[ . 1]" 1
1132 1 107 MET HA 1 107 MET HG3 4.100 . 6.000 3.769 3.729 3.820 . 0 0 "[ . 1]" 1
1133 1 68 PHE HZ 1 107 MET HG3 3.500 . 5.000 2.011 1.939 2.106 0.061 9 0 "[ . 1]" 1
1134 1 68 PHE QE 1 107 MET HG3 3.500 . 5.000 3.079 2.796 3.341 . 0 0 "[ . 1]" 1
1135 1 68 PHE HZ 1 107 MET HG2 4.300 . 6.000 3.519 2.880 3.818 . 0 0 "[ . 1]" 1
1136 1 68 PHE QE 1 107 MET HG2 4.300 . 6.000 4.205 3.787 4.616 . 0 0 "[ . 1]" 1
1137 1 108 LEU HA 2 8 . H5' 4.600 . 6.000 5.451 5.041 5.883 . 0 0 "[ . 1]" 1
1138 1 108 LEU HA 2 8 . H4' 4.100 . 6.000 5.089 4.723 5.353 . 0 0 "[ . 1]" 1
1139 1 108 LEU HG 2 8 . H4' 3.900 . 5.800 3.830 2.918 5.058 . 0 0 "[ . 1]" 1
1140 1 108 LEU HB2 1 108 LEU QD 3.700 . 4.800 2.236 2.200 2.262 . 0 0 "[ . 1]" 1
1141 1 109 ILE HB 1 112 LEU QD 4.000 . 6.000 4.104 2.540 4.859 . 0 0 "[ . 1]" 1
1142 1 87 VAL HA 1 109 ILE MD 4.200 . 6.000 5.554 4.030 6.160 0.160 1 0 "[ . 1]" 1
1143 1 68 PHE QD 1 109 ILE MD 3.100 . 6.000 3.331 2.664 4.189 . 0 0 "[ . 1]" 1
1144 1 68 PHE QE 1 109 ILE MD 3.600 . 6.000 3.861 2.994 5.020 . 0 0 "[ . 1]" 1
1145 1 68 PHE HZ 1 109 ILE MD 2.800 . 6.000 4.828 3.216 6.007 0.007 2 0 "[ . 1]" 1
1146 1 68 PHE HB2 1 109 ILE MD 3.300 . 6.000 4.278 3.310 5.352 . 0 0 "[ . 1]" 1
1147 1 88 LEU QD 1 111 GLU HA 3.800 . 6.000 5.848 5.546 5.922 . 0 0 "[ . 1]" 1
1148 1 111 GLU HA 1 114 TYR QE 3.500 . 6.000 3.628 2.994 4.381 . 0 0 "[ . 1]" 1
1149 1 111 GLU HA 1 114 TYR QD 4.000 . 6.000 4.543 4.059 4.978 . 0 0 "[ . 1]" 1
1150 1 111 GLU HB3 1 114 TYR QE 3.700 . 6.000 4.057 3.633 4.799 . 0 0 "[ . 1]" 1
1151 1 111 GLU HB3 1 114 TYR QD 4.200 . 6.000 5.660 5.226 6.037 0.037 3 0 "[ . 1]" 1
1152 1 111 GLU HB2 1 114 TYR QD 4.100 . 6.000 6.240 6.143 6.312 0.312 2 0 "[ . 1]" 1
1153 1 111 GLU HB2 1 114 TYR QE 4.000 . 6.000 5.110 4.783 5.937 . 0 0 "[ . 1]" 1
1154 1 38 TYR QR 1 112 LEU HB3 4.000 . 6.000 4.773 3.042 5.958 . 0 0 "[ . 1]" 1
1155 1 36 THR HB 1 38 TYR QE 4.200 . 6.000 3.582 2.201 6.076 0.076 9 0 "[ . 1]" 1
1156 1 68 PHE HZ 1 112 LEU QD 3.100 . 6.000 5.571 4.982 5.940 . 0 0 "[ . 1]" 1
1157 1 68 PHE QE 1 112 LEU QD 2.900 . 6.000 3.805 3.242 4.404 . 0 0 "[ . 1]" 1
1158 1 113 CYS HA 1 114 TYR QD 3.700 . 6.000 3.917 3.564 4.664 . 0 0 "[ . 1]" 1
1159 1 115 LEU HA 1 115 LEU HB2 2.600 . 3.400 3.007 2.992 3.022 . 0 0 "[ . 1]" 1
1160 1 120 ASP HA 1 120 ASP HB3 2.600 . 3.400 2.840 2.439 3.032 . 0 0 "[ . 1]" 1
1161 1 61 ALA MB 1 62 ASP HB2 4.100 . 6.000 4.638 3.496 5.306 . 0 0 "[ . 1]" 1
1162 1 61 ALA MB 1 62 ASP HA 3.800 . 5.700 4.262 3.947 4.811 . 0 0 "[ . 1]" 1
1163 1 38 TYR HA 1 76 TYR QD 4.500 . 6.000 4.884 3.258 6.032 0.032 4 0 "[ . 1]" 1
1164 1 38 TYR HB3 1 76 TYR QD 4.100 . 6.000 4.440 3.812 5.144 . 0 0 "[ . 1]" 1
1165 1 38 TYR HB2 1 76 TYR QD 4.800 . 6.000 4.836 3.790 6.014 0.014 8 0 "[ . 1]" 1
1166 1 42 THR MG 2 5 A H2 3.800 . 5.000 3.501 2.853 4.810 . 0 0 "[ . 1]" 1
1167 1 42 THR HB 2 5 A H2 4.700 . 6.000 5.601 3.696 6.131 0.131 8 0 "[ . 1]" 1
1168 1 43 TYR HA 2 5 A H2 3.200 . 3.400 3.272 2.313 3.569 0.169 5 0 "[ . 1]" 1
1169 1 19 HIS HB3 1 19 HIS HD2 3.500 . 5.000 3.683 3.508 3.895 . 0 0 "[ . 1]" 1
1170 1 19 HIS HB2 1 19 HIS HD2 2.800 . 3.700 2.665 2.631 2.789 . 0 0 "[ . 1]" 1
1171 1 21 PHE HB3 1 21 PHE QD 2.800 . 3.800 2.327 2.285 2.387 . 0 0 "[ . 1]" 1
1172 1 21 PHE HB2 1 21 PHE QD 2.800 . 3.800 2.430 2.357 2.477 . 0 0 "[ . 1]" 1
1173 1 17 GLU QG 1 19 HIS HE1 2.900 . 3.900 2.784 1.913 3.765 . 0 0 "[ . 1]" 1
1174 1 19 HIS HE1 1 20 LYS HD2 4.100 . 6.000 6.008 5.841 6.110 0.110 5 0 "[ . 1]" 1
1175 1 19 HIS HE1 1 20 LYS QG 3.900 . 5.800 3.590 3.050 5.495 . 0 0 "[ . 1]" 1
1176 1 22 GLN HA 1 50 TRP HZ2 2.900 . 3.900 3.304 2.868 3.782 . 0 0 "[ . 1]" 1
1177 1 25 VAL HB 1 50 TRP HZ2 3.100 . 4.300 3.461 2.155 4.371 0.071 1 0 "[ . 1]" 1
1178 1 22 GLN HA 1 50 TRP HH2 3.100 . 4.300 3.131 2.291 4.264 . 0 0 "[ . 1]" 1
1179 1 21 PHE QE 1 50 TRP HH2 3.300 . 4.700 2.906 1.748 3.665 0.152 3 0 "[ . 1]" 1
1180 1 50 TRP HB3 1 50 TRP HD1 3.900 . 5.800 3.891 3.860 3.909 . 0 0 "[ . 1]" 1
1181 1 50 TRP HB2 1 50 TRP HD1 3.000 . 4.100 2.856 2.740 2.946 . 0 0 "[ . 1]" 1
1182 1 43 TYR HB3 1 43 TYR QD 3.300 . 4.600 2.463 2.294 2.656 . 0 0 "[ . 1]" 1
1183 1 43 TYR HB2 1 43 TYR QD 3.100 . 4.300 2.372 2.251 2.569 . 0 0 "[ . 1]" 1
1184 1 43 TYR QD 1 108 LEU HB3 2.600 . 6.000 5.937 5.478 6.872 0.872 6 1 "[ .+ 1]" 1
1185 1 68 PHE HA 1 68 PHE QE 3.600 . 5.200 4.428 4.344 4.600 . 0 0 "[ . 1]" 1
1186 1 13 TYR HB2 1 13 TYR QD 2.700 . 3.600 2.523 2.273 2.670 . 0 0 "[ . 1]" 1
1187 1 13 TYR QD 1 21 PHE QD 3.000 . 6.000 3.205 2.889 3.942 . 0 0 "[ . 1]" 1
1188 1 13 TYR QD 1 21 PHE HZ 3.400 . 6.000 3.793 3.010 4.950 . 0 0 "[ . 1]" 1
1189 1 13 TYR QD 1 21 PHE QE 3.000 . 6.000 3.162 2.501 4.243 . 0 0 "[ . 1]" 1
1190 1 114 TYR HB3 1 114 TYR QD 2.600 . 3.500 2.316 2.240 2.430 . 0 0 "[ . 1]" 1
1191 1 114 TYR HB2 1 114 TYR QD 3.000 . 4.200 2.565 2.380 2.685 . 0 0 "[ . 1]" 1
1192 1 2 SER HA 1 114 TYR QD 3.700 . 5.400 3.905 3.157 4.517 . 0 0 "[ . 1]" 1
1193 1 114 TYR HB3 1 114 TYR QE 4.200 . 6.000 4.393 4.360 4.437 . 0 0 "[ . 1]" 1
1194 1 76 TYR HB3 1 76 TYR QD 3.200 . 4.400 2.498 2.313 2.582 . 0 0 "[ . 1]" 1
1195 1 38 TYR QE 1 112 LEU QD 3.200 . 6.000 2.829 2.151 4.436 . 0 0 "[ . 1]" 1
1196 1 36 THR MG 1 38 TYR QE 3.100 . 6.000 3.262 2.163 6.044 0.044 9 0 "[ . 1]" 1
1197 1 12 LEU HB2 1 21 PHE QE 3.800 . 5.600 3.074 2.852 3.223 . 0 0 "[ . 1]" 1
1198 2 1 A H1' 2 1 A H8 3.200 . 4.500 3.379 2.502 3.863 . 0 0 "[ . 1]" 1
1199 2 5 A H1' 2 5 A H8 3.300 . 4.700 2.903 2.762 3.236 . 0 0 "[ . 1]" 1
1200 2 1 A H2' 2 1 A H8 3.300 . 4.600 2.388 2.078 3.969 . 0 0 "[ . 1]" 1
1201 2 5 A H2' 2 5 A H8 3.400 . 4.800 3.770 2.116 4.731 . 0 0 "[ . 1]" 1
1202 2 5 A H2 2 6 C H1' 3.600 . 5.300 3.831 1.996 5.357 0.057 5 0 "[ . 1]" 1
1203 2 4 G H2' 2 4 G H8 3.700 . 5.400 3.575 2.424 4.768 . 0 0 "[ . 1]" 1
1204 2 4 G H3' 2 4 G H8 3.700 . 5.400 3.706 2.211 5.492 0.092 9 0 "[ . 1]" 1
1205 2 3 C H4' 2 4 G H8 2.900 . 6.000 5.607 4.019 6.181 0.181 8 0 "[ . 1]" 1
1206 2 4 G H4' 2 4 G H8 4.200 . 6.000 4.744 4.385 5.338 . 0 0 "[ . 1]" 1
1207 2 3 C H5'' 2 3 C H6 3.200 . 4.500 4.109 3.608 4.568 0.068 1 0 "[ . 1]" 1
1208 2 3 C H5' 2 3 C H6 2.700 . 3.600 3.476 1.973 4.539 0.939 7 1 "[ . + 1]" 1
1209 2 3 C H2' 2 3 C H6 2.700 . 3.600 2.709 2.399 3.602 0.002 3 0 "[ . 1]" 1
1210 2 3 C H4' 2 3 C H6 3.500 . 5.000 4.378 3.888 4.634 . 0 0 "[ . 1]" 1
1211 2 3 C H3' 2 3 C H6 3.500 . 5.100 3.727 2.136 4.497 . 0 0 "[ . 1]" 1
1212 2 7 U H2' 2 7 U H6 3.300 . 4.600 3.352 2.436 4.352 . 0 0 "[ . 1]" 1
1213 2 6 C H3' 2 7 U H6 6.000 . 6.000 5.099 4.283 6.177 0.177 9 0 "[ . 1]" 1
1214 2 6 C H2' 2 7 U H6 6.000 . 6.000 5.519 4.487 6.051 0.051 9 0 "[ . 1]" 1
1215 2 1 A H2' 2 2 C H6 3.500 . 5.100 4.720 3.916 5.196 0.096 1 0 "[ . 1]" 1
1216 2 5 A H3' 2 6 C H6 3.300 . 4.600 2.699 2.176 4.097 . 0 0 "[ . 1]" 1
1217 2 5 A H2' 2 6 C H6 3.200 . 4.500 3.919 3.196 4.462 . 0 0 "[ . 1]" 1
1218 2 6 C H3' 2 6 C H6 3.100 . 4.300 3.619 2.583 4.503 0.203 8 0 "[ . 1]" 1
1219 2 6 C H4' 2 6 C H6 4.000 . 6.000 4.055 3.825 4.438 . 0 0 "[ . 1]" 1
1220 2 6 C H2' 2 6 C H6 3.100 . 4.300 3.664 2.676 4.315 0.015 1 0 "[ . 1]" 1
1221 2 2 C H2' 2 2 C H6 2.900 . 4.000 3.005 2.135 3.735 . 0 0 "[ . 1]" 1
1222 2 2 C H4' 2 2 C H6 3.900 . 5.800 4.482 4.190 5.257 . 0 0 "[ . 1]" 1
1223 2 2 C H3' 2 2 C H6 3.700 . 5.400 4.096 2.890 5.376 . 0 0 "[ . 1]" 1
1224 2 6 C H5 2 6 C H6 2.800 . 3.800 2.426 2.415 2.440 . 0 0 "[ . 1]" 1
1225 2 6 C H1' 2 6 C H6 2.700 . 3.600 3.527 3.297 3.671 0.071 6 0 "[ . 1]" 1
1226 2 4 G H1' 2 4 G H8 3.600 . 5.300 3.320 2.475 3.869 . 0 0 "[ . 1]" 1
1227 2 3 C H5 2 3 C H6 2.300 . 3.000 2.433 2.415 2.446 . 0 0 "[ . 1]" 1
1228 2 3 C H1' 2 3 C H6 3.100 . 4.300 3.685 3.648 3.703 . 0 0 "[ . 1]" 1
1229 2 5 A H2' 2 6 C H5 3.000 . 6.000 5.519 4.313 6.187 0.187 8 0 "[ . 1]" 1
1230 2 6 C H1' 2 6 C H3' 4.200 . 6.000 3.925 3.835 4.061 . 0 0 "[ . 1]" 1
1231 2 6 C H1' 2 6 C H4' 3.300 . 4.600 3.454 3.159 3.822 . 0 0 "[ . 1]" 1
1232 2 6 C H1' 2 6 C H2' 3.000 . 4.100 2.894 2.769 3.072 . 0 0 "[ . 1]" 1
1233 2 3 C H1' 2 3 C H3' 4.400 . 6.000 3.830 3.753 4.045 . 0 0 "[ . 1]" 1
1234 2 3 C H1' 2 3 C H4' 3.100 . 4.300 3.104 2.504 3.503 . 0 0 "[ . 1]" 1
1235 2 3 C H1' 2 3 C H2' 3.000 . 4.100 3.010 2.783 3.093 . 0 0 "[ . 1]" 1
1236 2 2 C H1' 2 2 C H2' 3.300 . 4.700 3.006 2.864 3.090 . 0 0 "[ . 1]" 1
1237 2 7 U H1' 2 7 U H2' 3.500 . 5.100 2.988 2.783 3.088 . 0 0 "[ . 1]" 1
1238 2 7 U H1' 2 7 U H3' 4.100 . 6.000 3.902 3.770 3.999 . 0 0 "[ . 1]" 1
1239 2 8 . H1' 2 8 . H3' 4.000 . 6.000 3.953 3.920 3.995 . 0 0 "[ . 1]" 1
1240 1 106 ALA HA 2 8 . H4' 2.600 . 3.400 3.274 3.022 3.478 0.078 3 0 "[ . 1]" 1
1241 1 106 ALA MB 2 8 . H4' 2.200 . 2.600 2.111 1.860 2.598 . 0 0 "[ . 1]" 1
1242 1 106 ALA MB 2 8 . H5' 2.600 . 3.400 3.307 2.745 3.558 0.158 6 0 "[ . 1]" 1
1243 1 108 LEU QD 2 8 . H2' 3.400 . 5.000 4.770 4.500 4.869 . 0 0 "[ . 1]" 1
1244 1 42 THR MG 2 5 A H1' 2.600 . 3.400 3.173 2.351 3.526 0.126 4 0 "[ . 1]" 1
1245 1 42 THR MG 2 6 C H1' 3.400 . 5.000 5.083 4.879 5.245 0.245 5 0 "[ . 1]" 1
1246 1 44 ARG QD 2 3 C H4' 2.600 . 3.400 2.493 2.028 3.401 0.001 9 0 "[ . 1]" 1
1247 1 44 ARG QD 2 3 C Q5' 2.600 . 3.400 3.475 2.949 3.763 0.363 8 0 "[ . 1]" 1
1248 1 44 ARG QD 2 3 C H1' 2.600 . 3.400 3.434 3.037 3.607 0.207 3 0 "[ . 1]" 1
1249 1 118 LEU QD 2 3 C H1' 3.400 . 5.000 4.225 3.814 4.887 . 0 0 "[ . 1]" 1
1250 1 118 LEU QD 2 3 C H5 2.600 . 3.400 3.172 2.895 3.537 0.137 5 0 "[ . 1]" 1
1251 1 118 LEU QD 2 3 C H4' 2.600 . 3.400 3.573 3.411 3.725 0.325 8 0 "[ . 1]" 1
1252 1 118 LEU QD 2 3 C H2' 2.600 . 3.400 3.232 1.970 3.578 0.178 1 0 "[ . 1]" 1
1253 1 3 GLU HA 1 4 THR H 2.500 . 3.300 2.287 2.144 2.572 . 0 0 "[ . 1]" 1
1254 1 7 ASP HA 1 10 PHE H 3.000 . 4.100 2.730 2.696 2.750 . 0 0 "[ . 1]" 1
1255 1 6 LEU HB3 1 10 PHE H 4.300 . 6.000 4.561 4.387 4.786 . 0 0 "[ . 1]" 1
1256 1 7 ASP HA 1 11 ASN H 2.500 . 3.300 2.743 2.709 2.783 . 0 0 "[ . 1]" 1
1257 1 10 PHE HA 1 14 GLN H 3.200 . 4.500 3.505 3.339 3.655 . 0 0 "[ . 1]" 1
1258 1 14 GLN QG 1 15 GLN H 3.400 . 4.900 2.978 2.498 3.834 . 0 0 "[ . 1]" 1
1259 1 14 GLN HB3 1 15 GLN H 2.700 . 3.600 2.865 2.357 3.168 . 0 0 "[ . 1]" 1
1260 1 14 GLN HB2 1 15 GLN H 2.800 . 3.800 3.043 2.491 3.562 . 0 0 "[ . 1]" 1
1261 1 12 LEU HA 1 15 GLN H 2.900 . 3.900 3.111 3.006 3.261 . 0 0 "[ . 1]" 1
1262 1 13 TYR H 1 16 THR H 3.600 . 5.200 4.113 4.022 4.213 . 0 0 "[ . 1]" 1
1263 1 15 GLN HA 1 16 THR H 2.500 . 3.300 2.729 2.674 2.814 . 0 0 "[ . 1]" 1
1264 1 17 GLU QB 1 18 GLU H 2.600 . 3.400 2.305 2.069 2.521 . 0 0 "[ . 1]" 1
1265 1 18 GLU H 1 19 HIS HB3 4.200 . 6.000 4.039 3.878 4.245 . 0 0 "[ . 1]" 1
1266 1 19 HIS HA 1 20 LYS H 2.800 . 3.700 2.774 2.763 2.782 . 0 0 "[ . 1]" 1
1267 1 17 GLU HA 1 20 LYS H 4.400 . 6.000 4.301 4.239 4.362 . 0 0 "[ . 1]" 1
1268 1 20 LYS H 1 20 LYS QE 4.900 . 6.000 4.126 3.629 4.425 . 0 0 "[ . 1]" 1
1269 1 19 HIS HA 1 21 PHE H 3.200 . 4.400 3.289 3.265 3.319 . 0 0 "[ . 1]" 1
1270 1 21 PHE HB3 1 22 GLN H 3.400 . 4.800 2.543 2.458 2.615 . 0 0 "[ . 1]" 1
1271 1 23 GLU HA 1 24 GLN H 2.400 . 3.100 2.710 2.682 2.733 . 0 0 "[ . 1]" 1
1272 1 23 GLU QG 1 24 GLN H 2.500 . 3.300 2.866 2.160 3.386 0.086 1 0 "[ . 1]" 1
1273 1 23 GLU QB 1 24 GLN H 2.100 . 2.600 2.224 2.119 2.409 . 0 0 "[ . 1]" 1
1274 1 21 PHE HA 1 25 VAL H 2.900 . 4.000 3.170 3.124 3.208 . 0 0 "[ . 1]" 1
1275 1 24 GLN HB2 1 25 VAL H 2.300 . 3.000 2.400 2.281 2.530 . 0 0 "[ . 1]" 1
1276 1 24 GLN HA 1 27 LYS H 2.300 . 3.000 2.483 2.297 2.579 . 0 0 "[ . 1]" 1
1277 1 27 LYS HB3 1 28 GLU H 2.200 . 2.800 2.418 2.297 2.563 . 0 0 "[ . 1]" 1
1278 1 28 GLU HA 1 29 LEU H 3.000 . 4.100 2.755 2.727 2.778 . 0 0 "[ . 1]" 1
1279 1 29 LEU H 1 29 LEU QD 3.400 . 4.800 2.739 2.200 3.511 . 0 0 "[ . 1]" 1
1280 1 28 GLU HA 1 30 ILE H 3.800 . 5.600 3.449 3.385 3.481 . 0 0 "[ . 1]" 1
1281 1 30 ILE HB 1 31 GLY H 4.100 . 6.000 3.904 3.618 4.106 . 0 0 "[ . 1]" 1
1282 1 31 GLY HA2 1 32 LEU H 3.500 . 5.100 2.616 2.466 2.769 . 0 0 "[ . 1]" 1
1283 1 32 LEU HB3 1 33 ILE H 3.300 . 4.600 2.315 1.981 2.579 0.019 6 0 "[ . 1]" 1
1284 1 35 LEU HB3 1 36 THR H 3.000 . 4.200 2.485 2.102 3.356 . 0 0 "[ . 1]" 1
1285 1 38 TYR HB3 1 39 ASN H 4.200 . 6.000 3.722 2.315 4.018 . 0 0 "[ . 1]" 1
1286 1 38 TYR HB2 1 39 ASN H 3.300 . 4.600 3.490 2.052 4.158 . 0 0 "[ . 1]" 1
1287 1 35 LEU HB2 1 41 LYS H 4.000 . 6.000 4.718 4.123 5.550 . 0 0 "[ . 1]" 1
1288 1 119 THR HA 1 120 ASP H 2.800 . 3.800 2.528 2.100 2.781 . 0 0 "[ . 1]" 1
1289 1 50 TRP HB2 1 51 ASP H 3.400 . 4.900 3.461 2.881 3.624 . 0 0 "[ . 1]" 1
1290 1 61 ALA H 1 62 ASP H 2.600 . 3.400 2.103 1.706 2.973 0.094 7 0 "[ . 1]" 1
1291 1 63 GLY HA2 1 64 SER H 2.700 . 3.600 2.564 2.327 2.791 . 0 0 "[ . 1]" 1
1292 1 62 ASP HA 1 63 GLY H 2.900 . 4.000 2.425 2.130 2.813 . 0 0 "[ . 1]" 1
1293 1 65 GLU HB3 1 66 VAL H 2.900 . 3.900 2.932 2.609 3.281 . 0 0 "[ . 1]" 1
1294 1 69 LEU HA 1 70 GLU H 2.900 . 4.000 2.721 2.683 2.761 . 0 0 "[ . 1]" 1
1295 1 66 VAL HB 1 71 TYR H 4.300 . 6.000 4.261 3.089 4.682 . 0 0 "[ . 1]" 1
1296 1 70 GLU HA 1 73 ARG H 2.700 . 3.600 2.692 2.571 2.768 . 0 0 "[ . 1]" 1
1297 1 73 ARG HA 1 74 LYS H 2.800 . 3.800 2.708 2.687 2.730 . 0 0 "[ . 1]" 1
1298 1 73 ARG HB3 1 74 LYS H 3.600 . 5.200 2.570 2.212 2.670 . 0 0 "[ . 1]" 1
1299 1 73 ARG HG2 1 74 LYS H 3.800 . 5.600 4.066 3.535 4.567 . 0 0 "[ . 1]" 1
1300 1 73 ARG H 1 75 GLN H 3.700 . 5.400 4.096 3.922 4.289 . 0 0 "[ . 1]" 1
1301 1 72 TYR HB3 1 75 GLN H 3.900 . 5.800 5.151 4.852 5.470 . 0 0 "[ . 1]" 1
1302 1 73 ARG HG3 1 76 TYR H 3.600 . 5.200 4.651 4.476 4.845 . 0 0 "[ . 1]" 1
1303 1 78 GLN HB3 1 79 GLU H 3.300 . 4.600 3.123 2.860 3.737 . 0 0 "[ . 1]" 1
1304 1 83 LEU H 1 84 LYS HB3 4.200 . 6.000 5.072 3.947 5.803 . 0 0 "[ . 1]" 1
1305 1 83 LEU HB2 1 84 LYS H 2.900 . 4.000 3.446 2.699 4.162 0.162 7 0 "[ . 1]" 1
1306 1 52 GLN QG 1 84 LYS H 3.700 . 5.400 4.838 4.154 5.208 . 0 0 "[ . 1]" 1
1307 1 51 ASP HA 1 84 LYS H 3.700 . 5.500 4.195 3.792 4.652 . 0 0 "[ . 1]" 1
1308 1 84 LYS HB2 1 85 GLN H 3.200 . 4.500 3.331 2.581 3.941 . 0 0 "[ . 1]" 1
1309 1 88 LEU HB3 1 89 VAL H 2.300 . 2.900 2.523 2.474 2.627 . 0 0 "[ . 1]" 1
1310 1 88 LEU HA 1 89 VAL H 2.200 . 2.800 2.088 2.064 2.114 . 0 0 "[ . 1]" 1
1311 1 116 THR HB 1 117 GLY H 3.300 . 4.700 2.338 2.252 2.427 . 0 0 "[ . 1]" 1
1312 1 115 LEU HB2 1 117 GLY H 4.100 . 6.000 3.895 3.563 4.160 . 0 0 "[ . 1]" 1
1313 1 115 LEU QD 1 117 GLY H 3.900 . 5.800 3.616 3.304 3.948 . 0 0 "[ . 1]" 1
1314 1 118 LEU HA 1 119 THR H 3.400 . 4.800 2.559 2.229 2.704 . 0 0 "[ . 1]" 1
1315 1 50 TRP HB3 1 52 GLN H 4.200 . 6.000 4.702 4.588 4.836 . 0 0 "[ . 1]" 1
1316 1 29 LEU HA 1 32 LEU QD 2.600 . 3.500 1.915 1.719 2.236 . 0 0 "[ . 1]" 1
1317 1 9 MET QB 1 12 LEU QD 2.400 . 6.000 2.923 2.156 3.594 . 0 0 "[ . 1]" 1
1318 1 12 LEU QD 1 25 VAL HB 2.900 . 6.000 3.144 2.520 3.768 . 0 0 "[ . 1]" 1
1319 1 12 LEU HA 1 16 THR MG 3.500 . 6.000 4.847 4.583 5.078 . 0 0 "[ . 1]" 1
1320 1 73 ARG HA 1 73 ARG HD3 3.300 . 4.600 2.897 2.188 3.185 . 0 0 "[ . 1]" 1
1321 1 23 GLU HA 1 23 GLU HB3 2.200 . 2.800 2.317 2.181 2.501 . 0 0 "[ . 1]" 1
1322 1 23 GLU HA 1 23 GLU HG3 2.800 . 3.800 2.811 2.362 3.395 . 0 0 "[ . 1]" 1
1323 1 23 GLU HA 1 23 GLU HG2 2.800 . 3.800 2.580 2.323 3.012 . 0 0 "[ . 1]" 1
1324 1 21 PHE HZ 1 25 VAL HB 3.300 . 4.600 3.186 2.154 3.975 . 0 0 "[ . 1]" 1
1325 1 9 MET QB 1 12 LEU QD 4.100 . 6.000 2.823 1.857 3.799 0.143 9 0 "[ . 1]" 1
1326 1 9 MET ME 1 29 LEU HB2 3.600 . 6.000 4.837 3.969 6.048 0.048 6 0 "[ . 1]" 1
1327 1 9 MET ME 1 48 ILE MD 2.500 . 6.000 4.037 3.717 4.391 . 0 0 "[ . 1]" 1
1328 1 106 ALA MB 1 108 LEU QD 3.100 . 4.300 2.148 2.056 2.314 . 0 0 "[ . 1]" 1
1329 1 115 LEU HB2 1 116 THR HB 3.300 . 4.700 3.484 2.526 4.324 . 0 0 "[ . 1]" 1
1330 1 115 LEU HB2 1 116 THR HA 3.800 . 5.600 4.890 4.613 5.345 . 0 0 "[ . 1]" 1
1331 1 12 LEU QD 1 28 GLU HG3 2.900 . 6.000 3.031 2.158 4.069 . 0 0 "[ . 1]" 1
1332 1 5 VAL HB 1 29 LEU MD2 3.800 . 5.600 3.265 2.578 3.685 . 0 0 "[ . 1]" 1
1333 1 12 LEU HA 1 15 GLN HG3 3.100 . 4.300 2.810 2.342 3.304 . 0 0 "[ . 1]" 1
1334 1 35 LEU QD 1 40 ASN HB2 3.300 . 4.700 2.181 1.903 2.730 . 0 0 "[ . 1]" 1
1335 1 52 GLN HA 1 53 ASN HA 4.200 . 6.000 3.921 3.880 3.992 . 0 0 "[ . 1]" 1
1336 1 81 THR HB 1 81 THR MG 1.900 . 2.400 1.897 1.894 1.902 . 0 0 "[ . 1]" 1
1337 1 80 ILE MD 1 82 ASP HA 4.200 . 6.000 3.867 3.220 4.172 . 0 0 "[ . 1]" 1
1338 1 80 ILE MD 1 82 ASP HB2 3.700 . 5.400 3.748 3.074 4.548 . 0 0 "[ . 1]" 1
1339 1 5 VAL HA 1 29 LEU MD2 3.900 . 5.800 4.145 3.601 4.577 . 0 0 "[ . 1]" 1
1340 1 12 LEU HA 1 15 GLN HA 4.400 . 6.000 5.421 4.927 5.798 . 0 0 "[ . 1]" 1
1341 1 9 MET HA 1 12 LEU HA 4.100 . 6.000 4.343 3.952 4.617 . 0 0 "[ . 1]" 1
1342 1 9 MET HA 1 12 LEU HB3 3.500 . 5.000 2.676 2.425 2.944 . 0 0 "[ . 1]" 1
1343 1 12 LEU QD 1 15 GLN HG3 3.300 . 4.700 3.181 2.728 4.069 . 0 0 "[ . 1]" 1
1344 1 16 THR HB 1 21 PHE HA 4.300 . 6.000 3.435 2.964 3.817 . 0 0 "[ . 1]" 1
1345 1 16 THR HB 1 21 PHE HB3 3.400 . 4.800 2.143 1.939 2.749 0.061 8 0 "[ . 1]" 1
1346 1 16 THR HB 1 21 PHE HB2 3.800 . 5.600 2.244 1.970 2.693 0.030 4 0 "[ . 1]" 1
1347 1 115 LEU QD 1 116 THR HA 3.400 . 6.000 4.601 4.014 5.085 . 0 0 "[ . 1]" 1
1348 1 82 ASP HB3 1 83 LEU QD 2.800 . 6.000 3.996 2.867 4.832 . 0 0 "[ . 1]" 1
1349 1 16 THR HB 1 21 PHE QD 2.800 . 3.800 2.473 2.284 2.694 . 0 0 "[ . 1]" 1
1350 1 54 PRO HA 1 68 PHE QD 2.900 . 4.000 2.138 1.895 2.682 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 66
_Distance_constraint_stats_list.Viol_total 22.508
_Distance_constraint_stats_list.Viol_max 0.122
_Distance_constraint_stats_list.Viol_rms 0.0190
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0341
_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 5 VAL 0.000 0.000 . 0 "[ . 1]"
1 9 MET 0.000 0.000 . 0 "[ . 1]"
1 34 VAL 0.472 0.101 8 0 "[ . 1]"
1 35 LEU 0.673 0.122 8 0 "[ . 1]"
1 36 THR 0.372 0.072 5 0 "[ . 1]"
1 41 LYS 0.372 0.072 5 0 "[ . 1]"
1 43 TYR 0.472 0.101 8 0 "[ . 1]"
1 47 ASP 0.007 0.007 6 0 "[ . 1]"
1 49 ASP 0.179 0.052 3 0 "[ . 1]"
1 68 PHE 0.000 0.000 . 0 "[ . 1]"
1 69 LEU 0.069 0.053 3 0 "[ . 1]"
1 72 TYR 0.000 0.000 . 0 "[ . 1]"
1 73 ARG 0.069 0.053 3 0 "[ . 1]"
1 87 VAL 0.179 0.052 3 0 "[ . 1]"
1 88 LEU 0.386 0.056 8 0 "[ . 1]"
1 89 VAL 0.007 0.007 6 0 "[ . 1]"
1 107 MET 0.094 0.051 5 0 "[ . 1]"
1 108 LEU 0.386 0.056 8 0 "[ . 1]"
1 114 TYR 0.673 0.122 8 0 "[ . 1]"
2 8 . 0.094 0.051 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 107 MET H 2 8 . O2' 1.800 . 2.300 2.165 1.940 2.351 0.051 5 0 "[ . 1]" 2
2 1 107 MET N 2 8 . O2' 2.800 2.800 3.300 3.091 2.902 3.322 0.022 5 0 "[ . 1]" 2
3 1 5 VAL O 1 9 MET H 1.800 . 2.300 2.059 1.901 2.261 . 0 0 "[ . 1]" 2
4 1 5 VAL O 1 9 MET N 2.800 2.800 3.300 3.023 2.867 3.217 . 0 0 "[ . 1]" 2
5 1 68 PHE O 1 72 TYR H 1.800 . 2.300 2.093 1.846 2.284 . 0 0 "[ . 1]" 2
6 1 68 PHE O 1 72 TYR N 2.800 2.800 3.300 3.026 2.810 3.186 . 0 0 "[ . 1]" 2
7 1 69 LEU O 1 73 ARG H 1.800 . 2.300 2.137 1.903 2.353 0.053 3 0 "[ . 1]" 2
8 1 69 LEU O 1 73 ARG N 2.800 2.800 3.300 3.058 2.818 3.254 . 0 0 "[ . 1]" 2
9 1 35 LEU H 1 114 TYR O 1.800 . 2.300 1.876 1.789 2.009 0.011 2 0 "[ . 1]" 2
10 1 35 LEU N 1 114 TYR O 2.800 2.800 3.300 2.789 2.678 2.933 0.122 8 0 "[ . 1]" 2
11 1 35 LEU O 1 114 TYR H 1.800 . 2.300 1.853 1.784 2.041 0.016 5 0 "[ . 1]" 2
12 1 35 LEU O 1 114 TYR N 2.800 2.800 3.300 2.787 2.718 2.920 0.082 5 0 "[ . 1]" 2
13 1 36 THR H 1 41 LYS O 1.800 . 2.300 1.858 1.777 2.046 0.023 7 0 "[ . 1]" 2
14 1 36 THR N 1 41 LYS O 2.800 2.800 3.300 2.778 2.728 2.933 0.072 5 0 "[ . 1]" 2
15 1 34 VAL O 1 43 TYR H 1.800 . 2.300 1.828 1.766 1.959 0.034 2 0 "[ . 1]" 2
16 1 34 VAL O 1 43 TYR N 2.800 2.800 3.300 2.764 2.699 2.865 0.101 8 0 "[ . 1]" 2
17 1 47 ASP O 1 89 VAL H 1.800 . 2.300 2.074 1.909 2.307 0.007 6 0 "[ . 1]" 2
18 1 47 ASP O 1 89 VAL N 2.800 2.800 3.300 2.935 2.837 3.027 . 0 0 "[ . 1]" 2
19 1 49 ASP H 1 87 VAL O 1.800 . 2.300 2.152 1.923 2.324 0.024 7 0 "[ . 1]" 2
20 1 49 ASP N 1 87 VAL O 2.800 2.800 3.300 3.116 2.883 3.298 . 0 0 "[ . 1]" 2
21 1 49 ASP O 1 87 VAL H 1.800 . 2.300 1.891 1.802 2.075 . 0 0 "[ . 1]" 2
22 1 49 ASP O 1 87 VAL N 2.800 2.800 3.300 2.802 2.748 2.892 0.052 3 0 "[ . 1]" 2
23 1 88 LEU H 1 108 LEU O 1.800 . 2.300 2.017 1.819 2.339 0.039 10 0 "[ . 1]" 2
24 1 88 LEU N 1 108 LEU O 2.800 2.800 3.300 2.918 2.744 3.208 0.056 8 0 "[ . 1]" 2
25 1 88 LEU O 1 108 LEU H 1.800 . 2.300 1.880 1.772 2.227 0.028 1 0 "[ . 1]" 2
26 1 88 LEU O 1 108 LEU N 2.800 2.800 3.300 2.822 2.749 3.094 0.051 1 0 "[ . 1]" 2
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